#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyg n ASP 4 N 0.00 0.12 -4.37 0.00 5.68 -1.26 -2.08 116.55 114.64 1wyg n ASP 4 Ca 0.00 -1.96 -0.38 0.00 -0.50 0.00 0.00 54.79 51.94 1wyg n ASP 4 Cb 0.00 -0.20 -0.12 0.00 -1.14 0.00 0.00 41.12 39.66 1wyg n ASP 4 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1wyg s GLU 5 N 0.00 3.05 -0.09 0.11 2.12 -1.26 -4.69 118.70 117.93 1wyg s GLU 5 Ca 0.04 -0.90 -0.28 0.00 0.36 0.00 0.00 54.97 54.18 1wyg s GLU 5 Cb 0.05 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 1wyg s GLU 5 CO -0.02 -0.52 0.94 -1.17 -0.54 0.00 0.00 175.26 173.95 1wyg s LEU 6 N 1.53 4.27 -0.04 2.70 2.96 0.00 -4.93 118.68 125.18 1wyg s LEU 6 Ca 0.02 1.46 0.03 0.00 -0.22 0.00 0.00 54.13 55.42 1wyg s LEU 6 Cb -0.18 -3.45 0.01 0.00 0.50 0.00 0.00 46.19 43.07 1wyg s LEU 6 CO 0.04 -0.36 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.91 1wyg s VAL 7 N 1.66 1.00 0.15 1.68 1.01 -1.26 -0.52 120.40 124.12 1wyg s VAL 7 Ca 0.46 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.75 1wyg s VAL 7 Cb -0.19 -0.90 0.07 0.00 0.00 0.00 0.00 36.38 35.37 1wyg s VAL 7 CO 0.19 0.31 0.99 0.72 0.00 0.00 0.00 175.10 177.31 1wyg s PHE 8 N 0.39 -0.09 0.25 5.22 -0.12 -0.73 0.09 117.98 122.99 1wyg s PHE 8 Ca -0.08 -0.22 0.09 0.00 -0.05 0.00 0.00 56.93 56.67 1wyg s PHE 8 Cb -0.12 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1wyg s PHE 8 CO 0.02 -0.82 0.01 -0.06 -0.05 0.00 0.00 175.22 174.32 1wyg s PHE 9 N -3.08 2.74 -0.09 3.49 0.40 -0.49 -0.54 117.98 120.42 1wyg s PHE 9 Ca 0.14 -0.20 -0.04 0.00 -0.60 0.00 0.00 56.93 56.23 1wyg s PHE 9 Cb -0.01 -1.23 0.05 0.00 0.51 0.00 0.00 43.02 42.33 1wyg s PHE 9 CO 0.02 0.60 0.18 0.08 0.70 0.00 0.00 175.22 176.80 1wyg s VAL 10 N -2.22 -0.23 -0.86 -0.44 1.01 -0.51 -0.79 120.40 116.36 1wyg s VAL 10 Ca 0.31 0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.59 1wyg s VAL 10 Cb -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.00 1wyg s VAL 10 CO 0.20 0.13 0.00 0.59 0.00 0.00 0.00 175.10 176.02 1wyg n ASN 11 N 5.05 -3.36 0.00 3.32 3.02 0.32 -1.58 115.26 122.03 1wyg n ASN 11 Ca -0.10 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1wyg n ASN 11 Cb 0.50 -2.88 0.00 0.00 -0.61 0.00 0.00 39.78 36.79 1wyg n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wyg n GLY 12 N -0.75 3.05 3.72 7.41 0.00 -1.26 -4.97 105.19 112.39 1wyg n GLY 12 Ca -0.12 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 1wyg n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wyg s LYS 13 N 0.00 4.55 0.72 1.61 2.20 -0.62 -4.95 119.74 123.26 1wyg s LYS 13 Ca 0.00 1.64 -0.13 0.00 -0.36 0.00 0.00 55.97 57.11 1wyg s LYS 13 Cb 0.00 -3.35 0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1wyg s LYS 13 CO 0.00 -0.03 1.12 0.21 -0.36 0.00 0.00 175.35 176.29 1wyg s LYS 14 N 0.41 2.39 -0.08 4.03 2.20 -1.26 -1.43 119.74 125.99 1wyg s LYS 14 Ca 0.52 1.41 -0.03 0.00 -0.36 0.00 0.00 55.97 57.51 1wyg s LYS 14 Cb -0.27 -1.90 0.05 0.00 -1.51 0.00 0.00 37.83 34.20 1wyg s LYS 14 CO 0.31 -1.57 0.15 0.08 -0.36 0.00 0.00 175.35 173.95 1wyg s VAL 15 N -2.45 -0.24 -0.16 4.02 1.01 0.29 -4.83 120.40 118.04 1wyg s VAL 15 Ca 0.67 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1wyg s VAL 15 Cb -0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 1wyg s VAL 15 CO 0.47 0.13 -0.16 -0.69 0.00 0.00 0.00 175.10 174.86 1wyg s VAL 16 N 2.28 2.62 -0.23 2.92 1.01 -1.26 -1.76 120.40 125.97 1wyg s VAL 16 Ca 0.03 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1wyg s VAL 16 Cb -0.12 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.20 1wyg s VAL 16 CO -0.06 0.52 -0.13 -0.70 0.00 0.00 0.00 175.10 174.73 1wyg s GLU 17 N 0.84 2.38 0.26 2.72 2.56 0.32 -5.00 118.70 122.78 1wyg s GLU 17 Ca -0.05 -1.10 0.23 0.00 0.00 0.00 0.00 54.97 54.05 1wyg s GLU 17 Cb -0.15 -2.70 0.19 0.00 2.00 0.00 0.00 34.13 33.47 1wyg s GLU 17 CO -0.01 -0.45 1.29 0.87 -0.56 0.00 0.00 175.26 176.41 1wyg h LYS 18 N 7.86 0.00 -2.07 4.30 1.57 -1.87 0.05 116.57 126.42 1wyg h LYS 18 Ca -0.28 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.99 1wyg h LYS 18 Cb 1.08 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.98 1wyg h LYS 18 CO 0.51 0.00 -1.06 0.09 -0.57 0.00 0.00 179.45 178.42 1wyg n ASN 19 N -2.70 1.66 -4.74 0.86 3.02 -1.26 -4.74 115.26 107.36 1wyg n ASN 19 Ca 0.02 -3.15 -0.41 0.00 -0.03 0.00 0.00 54.58 51.01 1wyg n ASN 19 Cb 0.52 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 1wyg n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wyg s ALA 20 N -2.59 3.51 -0.27 5.41 0.00 -1.26 -5.01 121.76 121.54 1wyg s ALA 20 Ca 0.42 1.09 -0.10 0.00 0.00 0.00 0.00 51.96 53.36 1wyg s ALA 20 Cb 0.32 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1wyg s ALA 20 CO -0.09 -0.51 0.15 0.34 0.00 0.00 0.00 175.76 175.65 1wyg s ASP 21 N 0.27 5.80 0.49 0.00 3.68 -1.26 -4.36 116.67 121.28 1wyg s ASP 21 Ca 0.56 -0.05 0.34 0.00 2.13 0.00 0.00 52.55 55.53 1wyg s ASP 21 Cb -0.36 -2.07 1.46 0.00 -1.45 0.00 0.00 42.92 40.51 1wyg s ASP 21 CO 0.38 -0.03 1.72 -0.65 0.13 0.00 0.00 175.17 176.72 1wyg h PRO 22 N 8.23 0.10 0.00 4.34 0.11 -1.84 0.58 132.00 143.52 1wyg h PRO 22 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1wyg h PRO 22 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1wyg h PRO 22 CO 0.57 0.07 0.00 0.39 -0.21 0.00 0.00 178.00 178.82 1wyg n GLU 23 N -4.35 0.90 -3.29 1.05 1.02 -1.26 -4.75 120.64 109.96 1wyg n GLU 23 Ca 0.31 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 57.07 1wyg n GLU 23 Cb 1.34 -1.26 -0.07 0.00 -0.02 0.00 0.00 31.44 31.44 1wyg n GLU 23 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1wyg s THR 24 N -2.00 5.14 -0.08 2.62 2.01 0.20 -5.05 115.64 118.49 1wyg s THR 24 Ca 0.22 0.90 -0.10 0.00 0.31 0.00 0.00 61.69 63.02 1wyg s THR 24 Cb 0.10 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 1wyg s THR 24 CO 0.17 0.22 0.24 0.42 -0.69 0.00 0.00 174.62 174.98 1wyg s THR 25 N 1.36 5.34 0.59 -0.82 -4.23 -1.26 -1.24 115.64 115.38 1wyg s THR 25 Ca 0.23 0.44 0.31 0.00 -1.18 0.00 0.00 61.69 61.49 1wyg s THR 25 Cb -0.15 -3.51 0.45 0.00 1.34 0.00 0.00 72.50 70.62 1wyg s THR 25 CO 0.09 0.60 1.53 0.25 -0.54 0.00 0.00 174.62 176.56 1wyg h LEU 26 N 4.89 0.00 -0.18 4.79 5.85 -1.03 0.55 115.31 130.18 1wyg h LEU 26 Ca -0.54 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.03 1wyg h LEU 26 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1wyg h LEU 26 CO 0.59 0.00 -0.48 0.25 -0.34 0.00 0.00 178.44 178.47 1wyg h LEU 27 N 0.00 0.74 -0.35 2.25 5.85 -1.67 -2.14 115.31 119.99 1wyg h LEU 27 Ca 0.49 -0.58 -0.19 0.00 0.84 0.00 0.00 57.88 58.44 1wyg h LEU 27 Cb 2.55 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 43.36 1wyg h LEU 27 CO -0.01 1.18 -0.67 0.58 -0.34 0.00 0.00 178.44 179.19 1wyg h VAL 28 N 0.33 1.32 -0.01 1.05 2.07 -0.24 -2.37 116.25 118.40 1wyg h VAL 28 Ca -0.01 -1.94 -0.06 0.00 0.82 0.00 0.00 66.70 65.51 1wyg h VAL 28 Cb 1.09 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1wyg h VAL 28 CO 0.10 0.60 -0.29 0.22 0.02 0.00 0.00 177.57 178.23 1wyg h TYR 29 N 0.45 0.02 0.18 1.57 3.20 -1.34 0.52 116.97 121.57 1wyg h TYR 29 Ca -0.02 -0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.55 1wyg h TYR 29 Cb 1.26 -0.00 0.03 0.00 1.54 0.00 0.00 36.73 39.56 1wyg h TYR 29 CO 0.06 0.31 -1.26 -0.07 -1.64 0.00 0.00 178.16 175.56 1wyg h LEU 30 N 0.02 0.80 0.15 2.82 3.38 -1.28 -2.61 115.31 118.58 1wyg h LEU 30 Ca -0.00 -0.88 -0.27 0.00 0.09 0.00 0.00 57.88 56.82 1wyg h LEU 30 Cb 0.52 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1wyg h LEU 30 CO 0.04 1.61 -1.31 0.03 0.09 0.00 0.00 178.44 178.90 1wyg h ARG 31 N 0.10 0.31 -0.01 1.13 3.08 -1.33 0.63 114.38 118.30 1wyg h ARG 31 Ca -0.21 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.31 1wyg h ARG 31 Cb 1.96 0.20 0.00 0.00 0.08 0.00 0.00 29.97 32.21 1wyg h ARG 31 CO 0.24 1.25 -0.73 0.54 -1.07 0.00 0.00 179.97 180.20 1wyg n ARG 32 N -3.91 0.80 0.00 0.04 1.74 0.17 -2.93 116.66 112.56 1wyg n ARG 32 Ca -0.21 -0.41 0.00 0.00 -0.77 0.00 0.00 57.85 56.46 1wyg n ARG 32 Cb 0.92 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 1wyg n ARG 32 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1wyg n LYS 33 N -0.86 0.84 0.00 5.56 3.00 -1.03 -4.66 118.16 121.01 1wyg n LYS 33 Ca 0.06 -0.35 0.00 0.00 -0.00 0.00 0.00 58.31 58.02 1wyg n LYS 33 Cb 0.37 -0.83 0.00 0.00 0.00 0.00 0.00 35.03 34.56 1wyg n LYS 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1wyg n LEU 34 N -0.22 0.00 -1.60 3.14 4.77 -1.01 -4.95 117.00 117.13 1wyg n LEU 34 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1wyg n LEU 34 Cb 0.02 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1wyg n LEU 34 CO 0.00 0.02 -0.15 0.61 -1.33 0.00 0.00 177.39 176.54 1wyg n GLY 35 N 0.00 1.16 3.43 -0.72 0.00 -0.95 -4.90 105.19 103.22 1wyg n GLY 35 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1wyg n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wyg s LEU 36 N -4.31 4.70 -0.20 0.99 1.43 0.22 -4.91 118.68 116.60 1wyg s LEU 36 Ca 0.00 -1.20 0.15 0.00 -1.03 0.00 0.00 54.13 52.05 1wyg s LEU 36 Cb 0.00 -2.39 0.79 0.00 0.03 0.00 0.00 46.19 44.62 1wyg s LEU 36 CO 0.00 -1.33 1.70 0.00 0.23 0.00 0.00 176.35 176.96 1wyg h GLY 38 N 4.11 0.88 -5.51 0.00 0.00 -1.92 -3.41 103.07 97.22 1wyg h GLY 38 Ca 0.00 -0.90 -0.56 0.00 0.00 0.00 0.00 47.33 45.87 1wyg h GLY 38 CO 0.41 0.81 1.07 -1.59 0.00 0.00 0.00 176.54 177.25 1wyg s THR 39 N -4.37 3.72 0.46 4.70 2.01 -1.26 -4.74 115.64 116.16 1wyg s THR 39 Ca -0.12 0.86 0.06 0.00 0.31 0.00 0.00 61.69 62.80 1wyg s THR 39 Cb 0.10 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 69.01 1wyg s THR 39 CO 0.85 -0.15 0.63 -0.54 -0.69 0.00 0.00 174.62 174.73 1wyg s LYS 40 N 4.17 2.75 -0.26 4.92 -0.14 -1.14 -4.94 119.74 125.11 1wyg s LYS 40 Ca 0.70 -1.09 0.02 0.00 -1.36 0.00 0.00 55.97 54.24 1wyg s LYS 40 Cb -0.29 -2.68 0.05 0.00 -1.68 0.00 0.00 37.83 33.24 1wyg s LYS 40 CO 0.27 -0.40 -0.10 -1.17 -0.76 0.00 0.00 175.35 173.19 1wyg s LEU 41 N -4.47 3.36 -0.02 3.17 2.96 -1.26 -2.66 118.68 119.76 1wyg s LEU 41 Ca 0.55 -1.26 0.10 0.00 -0.22 0.00 0.00 54.13 53.31 1wyg s LEU 41 Cb -0.10 -1.58 -0.16 0.00 0.50 0.00 0.00 46.19 44.85 1wyg s LEU 41 CO 0.35 -0.18 0.21 0.61 -1.32 0.00 0.00 176.35 176.02 1wyg n GLY 42 N 4.50 -0.48 0.00 7.98 0.00 -1.26 -4.77 105.19 111.16 1wyg n GLY 42 Ca -0.15 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1wyg n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyg n GLY 44 N -0.36 0.39 0.04 0.00 0.00 -1.26 -4.65 105.19 99.35 1wyg n GLY 44 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.00 1wyg n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wyg n GLU 45 N 0.01 0.92 0.00 1.61 2.13 -1.26 -4.88 120.64 119.17 1wyg n GLU 45 Ca -0.04 -0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.70 1wyg n GLU 45 Cb 0.48 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.77 1wyg n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wyg n GLY 46 N 1.74 0.61 0.05 8.31 0.00 -1.26 -5.00 105.19 109.64 1wyg n GLY 46 Ca -0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.97 1wyg n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wyg n GLY 47 N -1.34 -0.80 0.08 -0.02 0.00 -1.26 -4.55 105.19 97.31 1wyg n GLY 47 Ca 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 1wyg n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyg n GLY 49 N 1.74 0.50 0.32 0.00 0.00 -0.92 -0.44 105.19 106.38 1wyg n GLY 49 Ca -0.28 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.88 1wyg n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyg h ALA 50 N 0.00 2.11 -0.59 4.61 0.00 -1.85 -1.74 119.26 121.80 1wyg h ALA 50 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1wyg h ALA 50 Cb 0.16 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.81 1wyg h ALA 50 CO 0.00 -0.29 0.33 0.00 0.00 0.00 0.00 179.25 179.30 1wyg s THR 52 N -2.17 4.25 0.02 0.00 2.01 -0.65 -1.42 115.64 117.68 1wyg s THR 52 Ca 0.37 1.64 0.00 0.00 0.31 0.00 0.00 61.69 64.02 1wyg s THR 52 Cb 0.31 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 1wyg s THR 52 CO 0.08 0.14 -0.03 0.68 -0.69 0.00 0.00 174.62 174.80 1wyg s VAL 53 N 0.92 0.17 0.39 3.82 -7.23 -0.97 -4.61 120.40 112.90 1wyg s VAL 53 Ca 0.56 -0.63 -0.11 0.00 -1.81 0.00 0.00 61.98 59.99 1wyg s VAL 53 Cb -0.27 -0.25 -0.07 0.00 0.56 0.00 0.00 36.38 36.35 1wyg s VAL 53 CO 0.29 -0.29 0.76 -0.32 -0.31 0.00 0.00 175.10 175.24 1wyg s MET 54 N -0.96 3.82 0.00 4.82 1.75 -0.65 -1.88 119.30 126.20 1wyg s MET 54 Ca -0.09 0.51 0.00 0.00 -1.25 0.00 0.00 55.69 54.86 1wyg s MET 54 Cb -0.07 -2.40 -0.00 0.00 2.84 0.00 0.00 34.83 35.20 1wyg s MET 54 CO -0.00 0.00 -0.01 -1.50 -0.65 0.00 0.00 175.02 172.86 1wyg s ILE 55 N -2.30 0.03 0.23 10.11 -1.16 -0.53 -0.79 121.20 126.79 1wyg s ILE 55 Ca 0.52 -0.18 0.08 0.00 -0.51 0.00 0.00 60.65 60.56 1wyg s ILE 55 Cb -0.10 -0.07 -0.05 0.00 0.61 0.00 0.00 42.46 42.85 1wyg s ILE 55 CO 0.29 -0.09 -0.14 -0.44 -2.81 0.00 0.00 174.94 171.74 1wyg s SER 56 N -0.29 2.76 -0.04 4.50 0.01 0.96 -2.03 113.70 119.58 1wyg s SER 56 Ca -0.03 -1.05 -0.31 0.00 1.31 0.00 0.00 55.95 55.87 1wyg s SER 56 Cb -0.02 -0.17 0.11 0.00 0.21 0.00 0.00 66.02 66.16 1wyg s SER 56 CO -0.00 -0.16 1.15 -1.59 0.41 0.00 0.00 173.24 173.04 1wyg s LYS 57 N -3.64 0.56 -0.29 12.44 -2.85 -0.93 -0.71 119.74 124.33 1wyg s LYS 57 Ca 0.25 -0.27 -0.15 0.00 -1.00 0.00 0.00 55.97 54.79 1wyg s LYS 57 Cb -0.01 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.95 1wyg s LYS 57 CO 0.09 -0.25 0.39 -0.47 0.10 0.00 0.00 175.35 175.21 1wyg s TYR 58 N -2.67 3.23 -0.61 1.78 5.04 -1.26 -0.28 117.35 122.58 1wyg s TYR 58 Ca 0.11 0.34 -0.27 0.00 -2.44 0.00 0.00 57.07 54.80 1wyg s TYR 58 Cb 0.01 -2.63 0.01 0.00 0.35 0.00 0.00 41.96 39.70 1wyg s TYR 58 CO -0.04 -0.29 1.44 0.34 -1.34 0.00 0.00 175.55 175.66 1wyg s ASP 59 N 1.66 6.02 0.23 4.32 -1.08 0.26 -4.87 116.67 123.20 1wyg s ASP 59 Ca 0.15 0.12 -0.17 0.00 -0.52 0.00 0.00 52.55 52.13 1wyg s ASP 59 Cb -0.16 -2.55 0.24 0.00 -1.46 0.00 0.00 42.92 38.99 1wyg s ASP 59 CO 0.10 -1.83 1.56 0.03 0.52 0.00 0.00 175.17 175.55 1wyg h ARG 60 N 11.34 -0.03 0.00 4.34 2.47 -1.95 -0.57 114.38 129.99 1wyg h ARG 60 Ca -0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1wyg h ARG 60 Cb 1.09 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1wyg h ARG 60 CO 1.21 -0.02 0.00 -0.11 0.56 0.00 0.00 179.97 181.61 1wyg n LEU 61 N -5.48 0.00 0.00 3.04 7.94 -1.26 -3.29 117.00 117.95 1wyg n LEU 61 Ca 0.09 0.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1wyg n LEU 61 Cb 0.40 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.35 1wyg n LEU 61 CO -0.11 0.00 0.25 0.00 -1.11 0.00 0.00 177.39 176.43 1wyg n GLN 62 N -0.13 0.00 -3.93 1.96 6.02 -1.20 -4.76 117.38 115.34 1wyg n GLN 62 Ca 0.00 0.09 -0.29 0.00 -0.01 0.00 0.00 57.00 56.79 1wyg n GLN 62 Cb 0.00 -1.56 0.01 0.00 1.02 0.00 0.00 30.24 29.71 1wyg n GLN 62 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1wyg n ASN 63 N -0.94 -3.20 -3.97 1.08 5.15 -0.23 -4.96 115.26 108.19 1wyg n ASN 63 Ca 0.00 -0.86 -0.08 0.00 -0.60 0.00 0.00 54.58 53.04 1wyg n ASN 63 Cb 0.06 -3.62 -0.08 0.00 -0.53 0.00 0.00 39.78 35.61 1wyg n ASN 63 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1wyg s LYS 64 N -6.53 0.78 -0.06 1.20 -2.85 -1.20 -4.97 119.74 106.11 1wyg s LYS 64 Ca 0.45 -1.10 -0.20 0.00 -1.00 0.00 0.00 55.97 54.12 1wyg s LYS 64 Cb -0.23 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 35.78 1wyg s LYS 64 CO 0.85 -0.22 0.57 0.42 0.10 0.00 0.00 175.35 177.07 1wyg s ILE 65 N -3.90 5.04 0.13 3.79 1.01 -1.26 0.90 121.20 126.91 1wyg s ILE 65 Ca 0.08 1.16 0.11 0.00 0.00 0.00 0.00 60.65 62.00 1wyg s ILE 65 Cb 0.06 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1wyg s ILE 65 CO -0.09 0.36 -0.26 0.68 0.00 0.00 0.00 174.94 175.63 1wyg s VAL 66 N 0.27 2.35 -0.05 2.92 -7.23 0.61 -4.92 120.40 114.35 1wyg s VAL 66 Ca 0.30 -1.74 0.03 0.00 -1.81 0.00 0.00 61.98 58.76 1wyg s VAL 66 Cb -0.17 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.73 1wyg s VAL 66 CO 0.15 0.08 -0.12 -1.00 -0.31 0.00 0.00 175.10 173.90 1wyg s HIS 67 N -1.11 1.33 -0.03 2.82 3.76 -1.26 -2.19 115.29 118.61 1wyg s HIS 67 Ca 0.15 -0.43 -0.21 0.00 -0.15 0.00 0.00 55.06 54.42 1wyg s HIS 67 Cb -0.10 -0.96 0.04 0.00 1.11 0.00 0.00 32.58 32.67 1wyg s HIS 67 CO 0.07 -0.21 0.45 -0.59 -0.85 0.00 0.00 174.74 173.62 1wyg s PHE 68 N 0.45 -0.37 0.64 1.40 -0.12 -0.86 -4.85 117.98 114.26 1wyg s PHE 68 Ca -0.10 0.62 -0.08 0.00 -0.05 0.00 0.00 56.93 57.32 1wyg s PHE 68 Cb -0.13 0.22 0.01 0.00 -0.63 0.00 0.00 43.02 42.49 1wyg s PHE 68 CO 0.02 -0.47 0.99 -1.54 -0.05 0.00 0.00 175.22 174.17 1wyg s SER 69 N -1.24 5.53 0.19 1.98 1.04 -1.26 -1.45 113.70 118.49 1wyg s SER 69 Ca -0.12 0.90 -0.23 0.00 0.48 0.00 0.00 55.95 56.97 1wyg s SER 69 Cb -0.03 -1.80 0.05 0.00 0.10 0.00 0.00 66.02 64.33 1wyg s SER 69 CO 0.06 -1.18 0.74 0.54 0.98 0.00 0.00 173.24 174.38 1wyg s VAL 70 N -3.15 0.00 -0.40 5.02 0.11 -0.79 -4.56 120.40 116.63 1wyg s VAL 70 Ca 0.56 -0.53 -0.17 0.00 -2.93 0.00 0.00 61.98 58.91 1wyg s VAL 70 Cb -0.11 -1.58 0.01 0.00 -1.53 0.00 0.00 36.38 33.18 1wyg s VAL 70 CO 0.48 0.00 0.43 0.20 -3.33 0.00 0.00 175.10 172.88 1wyg s ASN 71 N -2.82 6.20 0.36 3.54 0.01 -1.26 -2.28 114.94 118.69 1wyg s ASN 71 Ca 0.07 -0.52 0.06 0.00 -0.71 0.00 0.00 52.86 51.76 1wyg s ASN 71 Cb -0.03 -2.22 0.74 0.00 0.41 0.00 0.00 41.25 40.15 1wyg s ASN 71 CO -0.02 -0.52 1.96 0.00 -1.51 0.00 0.00 177.10 177.01 1wyg h ALA 72 N 8.65 1.71 0.00 0.60 0.00 -1.59 -1.33 119.26 127.30 1wyg h ALA 72 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1wyg h ALA 72 Cb 1.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1wyg h ALA 72 CO 0.77 0.18 0.00 0.00 0.00 0.00 0.00 179.25 180.20 1wyg n LEU 74 N -2.13 0.00 -4.63 0.00 4.77 -0.57 -4.92 117.00 109.52 1wyg n LEU 74 Ca 0.00 -0.45 -0.43 0.00 -0.03 0.00 0.00 56.01 55.11 1wyg n LEU 74 Cb 0.11 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1wyg n LEU 74 CO 0.12 0.00 0.88 0.00 -1.33 0.00 0.00 177.39 177.06 1wyg s ALA 75 N -0.95 3.51 0.16 -1.18 0.00 -0.81 -4.81 121.76 117.68 1wyg s ALA 75 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 1wyg s ALA 75 Cb 0.00 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 1wyg s ALA 75 CO 0.00 -1.42 1.10 -2.14 0.00 0.00 0.00 175.76 173.30 1wyg s PRO 76 N 3.49 4.58 0.50 0.00 0.02 -1.26 -0.92 135.00 141.41 1wyg s PRO 76 Ca 0.42 1.71 0.20 0.00 0.02 0.00 0.00 61.00 63.36 1wyg s PRO 76 Cb -0.13 -3.29 1.30 0.00 0.02 0.00 0.00 34.50 32.40 1wyg s PRO 76 CO 0.15 0.04 2.09 -0.84 -0.33 0.00 0.00 177.00 178.11 1wyg h ILE 77 N 3.82 0.87 0.00 2.83 3.07 -1.47 -1.53 117.51 125.11 1wyg h ILE 77 Ca -0.44 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 65.59 1wyg h ILE 77 Cb 1.21 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 1wyg h ILE 77 CO 0.73 0.10 0.00 0.00 -1.05 0.00 0.00 178.15 177.93 1wyg n SER 79 N -0.97 1.54 -1.43 0.00 3.41 -0.57 -4.60 113.62 111.00 1wyg n SER 79 Ca 0.07 -1.27 0.11 0.00 -0.26 0.00 0.00 58.87 57.52 1wyg n SER 79 Cb 0.03 0.08 0.33 0.00 -0.26 0.00 0.00 64.21 64.39 1wyg n SER 79 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wyg n LEU 80 N 0.31 4.19 -4.60 1.04 4.77 0.07 -5.00 117.00 117.79 1wyg n LEU 80 Ca 0.04 -2.10 -0.48 0.00 -0.03 0.00 0.00 56.01 53.44 1wyg n LEU 80 Cb 0.19 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 1wyg n LEU 80 CO 0.06 0.92 0.82 1.57 -1.33 0.00 0.00 177.39 179.43 1wyg n HIS 81 N 1.47 1.55 -3.72 -1.77 -0.00 -1.26 -2.17 115.22 109.33 1wyg n HIS 81 Ca 0.25 0.60 -0.24 0.00 0.46 0.00 0.00 57.72 58.79 1wyg n HIS 81 Cb 0.71 -2.34 0.05 0.00 -0.12 0.00 0.00 29.99 28.29 1wyg n HIS 81 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1wyg n HIS 82 N 1.77 -2.28 -4.25 1.57 8.25 0.11 -4.99 115.22 115.41 1wyg n HIS 82 Ca 0.15 0.91 -0.18 0.00 -0.26 0.00 0.00 57.72 58.34 1wyg n HIS 82 Cb 0.26 -4.48 -0.11 0.00 1.12 0.00 0.00 29.99 26.78 1wyg n HIS 82 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1wyg s VAL 83 N -3.43 1.34 -0.36 1.59 1.01 -0.92 -4.80 120.40 114.83 1wyg s VAL 83 Ca 0.34 -1.77 -0.04 0.00 0.00 0.00 0.00 61.98 60.51 1wyg s VAL 83 Cb -0.16 -1.59 0.07 0.00 0.00 0.00 0.00 36.38 34.70 1wyg s VAL 83 CO 0.79 -0.45 0.13 0.00 0.00 0.00 0.00 175.10 175.57 1wyg s ALA 84 N -2.28 3.05 0.33 5.51 0.00 0.11 -1.39 121.76 127.08 1wyg s ALA 84 Ca 0.10 -2.08 -0.21 0.00 0.00 0.00 0.00 51.96 49.77 1wyg s ALA 84 Cb -0.04 -2.27 -0.10 0.00 0.00 0.00 0.00 23.12 20.71 1wyg s ALA 84 CO 0.03 -1.52 0.86 0.08 0.00 0.00 0.00 175.76 175.21 1wyg s VAL 85 N 1.27 4.41 -0.03 0.00 1.01 0.03 -0.02 120.40 127.08 1wyg s VAL 85 Ca 0.01 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.47 1wyg s VAL 85 Cb -0.21 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1wyg s VAL 85 CO -0.01 -0.02 -0.02 -0.89 0.00 0.00 0.00 175.10 174.16 1wyg s THR 86 N -1.81 0.35 0.52 3.92 2.01 0.03 -0.52 115.64 120.13 1wyg s THR 86 Ca 0.52 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.49 1wyg s THR 86 Cb -0.14 -0.39 -0.00 0.00 0.01 0.00 0.00 72.50 71.97 1wyg s THR 86 CO 0.19 0.17 0.02 0.42 -0.69 0.00 0.00 174.62 174.73 1wyg s THR 87 N 0.81 0.94 0.34 -0.82 -4.23 -1.26 -1.64 115.64 109.78 1wyg s THR 87 Ca -0.09 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.45 1wyg s THR 87 Cb -0.12 -2.04 0.29 0.00 1.34 0.00 0.00 72.50 71.97 1wyg s THR 87 CO -0.01 0.00 1.95 1.62 -0.54 0.00 0.00 174.62 177.64 1wyg h VAL 88 N 1.32 1.05 -0.10 2.29 3.04 -1.89 -0.78 116.25 121.19 1wyg h VAL 88 Ca -0.43 -0.29 -0.05 0.00 -1.01 0.00 0.00 66.70 64.92 1wyg h VAL 88 Cb 1.32 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 1wyg h VAL 88 CO 0.71 0.16 -0.18 -0.33 -1.01 0.00 0.00 177.57 176.92 1wyg h GLU 89 N 0.86 0.15 0.00 4.17 3.07 -1.82 -2.83 114.58 118.18 1wyg h GLU 89 Ca 0.33 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 1wyg h GLU 89 Cb 0.21 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1wyg h GLU 89 CO -0.11 0.34 0.00 0.41 -1.40 0.00 0.00 179.01 178.25 1wyg n GLY 90 N -0.84 -0.91 0.00 -3.84 0.00 -0.30 -3.59 105.19 95.72 1wyg n GLY 90 Ca -0.01 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1wyg n GLY 90 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wyg n ILE 91 N -0.73 0.00 -3.64 -0.61 -5.35 -1.07 -4.83 119.36 103.12 1wyg n ILE 91 Ca 0.10 -0.05 0.04 0.00 -0.27 0.00 0.00 62.75 62.57 1wyg n ILE 91 Cb 0.05 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1wyg n ILE 91 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1wyg s GLY 92 N -2.22 -0.45 0.30 3.28 0.00 -1.24 -4.23 107.32 102.76 1wyg s GLY 92 Ca -0.01 0.82 0.01 0.00 0.00 0.00 0.00 44.72 45.54 1wyg s GLY 92 CO 0.09 1.44 0.32 -1.31 0.00 0.00 0.00 173.10 173.63 1wyg s ASN 93 N -3.18 1.00 0.42 1.64 0.02 0.03 -4.62 114.94 110.25 1wyg s ASN 93 Ca 0.18 -1.54 0.16 0.00 -1.02 0.00 0.00 52.86 50.64 1wyg s ASN 93 Cb 0.06 0.55 0.91 0.00 0.02 0.00 0.00 41.25 42.80 1wyg s ASN 93 CO -0.06 -1.09 1.90 0.71 0.02 0.00 0.00 177.10 178.58 1wyg h THR 94 N 2.24 1.08 -0.32 1.60 1.35 -1.94 0.38 112.91 117.29 1wyg h THR 94 Ca -0.28 -1.01 -0.15 0.00 -0.55 0.00 0.00 66.41 64.41 1wyg h THR 94 Cb 1.24 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1wyg h THR 94 CO 0.41 0.28 -0.40 1.56 -0.25 0.00 0.00 175.52 177.12 1wyg h GLN 95 N 0.00 0.84 -2.57 4.72 1.08 -1.99 -3.38 115.11 113.81 1wyg h GLN 95 Ca -0.00 -0.47 -0.59 0.00 -1.45 0.00 0.00 58.65 56.13 1wyg h GLN 95 Cb 0.54 0.03 -0.39 0.00 -0.05 0.00 0.00 27.48 27.61 1wyg h GLN 95 CO 0.04 1.11 -0.88 0.21 -0.95 0.00 0.00 178.83 178.36 1wyg s LYS 96 N -4.29 0.93 0.27 1.46 2.20 -0.64 -5.12 119.74 114.54 1wyg s LYS 96 Ca -0.11 -1.90 -0.29 0.00 -0.36 0.00 0.00 55.97 53.30 1wyg s LYS 96 Cb 0.10 -1.62 -0.09 0.00 -1.51 0.00 0.00 37.83 34.70 1wyg s LYS 96 CO 0.87 -1.29 1.20 -0.51 -0.36 0.00 0.00 175.35 175.25 1wyg s LEU 97 N 0.35 4.49 0.48 5.43 1.43 0.12 -0.79 118.68 130.19 1wyg s LEU 97 Ca 0.25 2.40 -0.20 0.00 -1.03 0.00 0.00 54.13 55.55 1wyg s LEU 97 Cb -0.10 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 1wyg s LEU 97 CO -0.10 -0.33 1.02 -2.28 0.23 0.00 0.00 176.35 174.89 1wyg s HIS 98 N -0.84 3.05 0.26 0.29 5.65 -1.26 -4.77 115.29 117.67 1wyg s HIS 98 Ca 0.48 1.58 -0.02 0.00 0.25 0.00 0.00 55.06 57.36 1wyg s HIS 98 Cb -0.35 -3.03 0.53 0.00 -1.18 0.00 0.00 32.58 28.56 1wyg s HIS 98 CO 0.43 -0.70 1.73 -1.35 -0.65 0.00 0.00 174.74 174.20 1wyg h PRO 99 N 1.61 0.44 -0.67 2.88 0.11 -1.90 0.19 132.00 134.66 1wyg h PRO 99 Ca -0.49 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.70 1wyg h PRO 99 Cb 1.21 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 1wyg h PRO 99 CO 0.59 0.29 0.25 0.28 -0.21 0.00 0.00 178.00 179.21 1wyg h VAL 100 N 0.46 0.71 -0.14 3.15 2.07 -1.96 0.23 116.25 120.78 1wyg h VAL 100 Ca 0.46 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.74 1wyg h VAL 100 Cb 0.74 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1wyg h VAL 100 CO -0.43 0.08 -0.28 1.56 0.02 0.00 0.00 177.57 178.51 1wyg h GLN 101 N 0.41 0.43 -0.54 1.57 4.20 -1.42 -2.47 115.11 117.30 1wyg h GLN 101 Ca 0.35 -0.28 0.04 0.00 0.06 0.00 0.00 58.65 58.82 1wyg h GLN 101 Cb 0.48 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 1wyg h GLN 101 CO -0.36 0.89 0.30 1.49 -0.67 0.00 0.00 178.83 180.48 1wyg h GLU 102 N 0.03 0.56 0.23 1.46 4.81 0.00 -2.13 114.58 119.55 1wyg h GLU 102 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1wyg h GLU 102 Cb 0.88 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1wyg h GLU 102 CO 0.06 0.37 -0.11 0.00 -0.73 0.00 0.00 179.01 178.60 1wyg h ARG 103 N 0.58 -0.30 -0.99 1.92 3.08 -0.58 -1.10 114.38 116.98 1wyg h ARG 103 Ca 0.23 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.42 1wyg h ARG 103 Cb 0.10 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.13 1wyg h ARG 103 CO -0.14 -0.01 0.63 0.97 -1.07 0.00 0.00 179.97 180.35 1wyg h ILE 104 N -0.59 0.92 0.02 2.04 2.10 -1.40 0.24 117.51 120.84 1wyg h ILE 104 Ca -0.03 -0.33 -0.00 0.00 1.08 0.00 0.00 64.86 65.57 1wyg h ILE 104 Cb 0.43 -0.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.01 1wyg h ILE 104 CO 0.05 0.18 -0.01 0.00 -1.08 0.00 0.00 178.15 177.29 1wyg h ALA 105 N 1.54 -0.03 -0.11 0.18 0.00 -1.26 0.56 119.26 120.15 1wyg h ALA 105 Ca 0.49 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 1wyg h ALA 105 Cb 0.50 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1wyg h ALA 105 CO -0.26 -0.39 -0.55 0.00 0.00 0.00 0.00 179.25 178.05 1wyg h ARG 106 N -0.27 0.33 0.00 0.00 3.08 -0.75 -2.87 114.38 113.90 1wyg h ARG 106 Ca -0.00 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1wyg h ARG 106 Cb 0.26 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1wyg h ARG 106 CO 0.00 0.80 0.00 -1.13 -1.07 0.00 0.00 179.97 178.57 1wyg n SER 107 N -3.93 0.00 -0.45 7.04 3.41 0.03 -4.76 113.62 114.97 1wyg n SER 107 Ca -0.02 -0.93 -0.04 0.00 -0.26 0.00 0.00 58.87 57.62 1wyg n SER 107 Cb 0.59 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.53 1wyg n SER 107 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1wyg n HIS 108 N -0.94 -0.14 1.88 7.33 8.25 -1.08 -4.76 115.22 125.75 1wyg n HIS 108 Ca 0.18 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.71 1wyg n HIS 108 Cb 0.08 -1.47 0.42 0.00 1.12 0.00 0.00 29.99 30.15 1wyg n HIS 108 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wyg n GLY 109 N -1.48 -0.94 3.07 -1.41 0.00 0.20 -4.73 105.19 99.89 1wyg n GLY 109 Ca -0.05 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1wyg n GLY 109 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wyg s SER 110 N -1.50 2.02 0.00 1.61 0.15 -1.25 -4.72 113.70 110.01 1wyg s SER 110 Ca 0.21 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1wyg s SER 110 Cb 0.10 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 1wyg s SER 110 CO 0.16 0.07 0.00 0.00 1.20 0.00 0.00 173.24 174.67 1wyg n GLN 111 N 3.70 0.00 0.15 5.44 6.02 -1.26 -4.80 117.38 126.63 1wyg n GLN 111 Ca -0.22 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.79 1wyg n GLN 111 Cb 0.52 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.96 1wyg n GLN 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wyg n GLY 113 N 0.57 2.22 0.19 0.00 0.00 -1.26 -4.70 105.19 102.21 1wyg n GLY 113 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1wyg n GLY 113 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wyg h PHE 114 N 0.00 0.00 0.00 1.61 3.57 -1.91 -2.97 116.94 117.24 1wyg h PHE 114 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1wyg h PHE 114 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1wyg h PHE 114 CO 0.00 0.00 -1.48 0.00 -2.23 0.00 0.00 178.31 174.60 1wyg h THR 116 N 0.00 0.43 -0.24 0.00 2.02 -1.82 0.56 112.91 113.87 1wyg h THR 116 Ca -0.02 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1wyg h THR 116 Cb 0.54 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1wyg h THR 116 CO 0.00 0.05 0.06 -0.65 0.37 0.00 0.00 175.52 175.35 1wyg h PRO 117 N 0.26 0.37 -0.74 6.66 0.11 -1.75 -0.58 132.00 136.33 1wyg h PRO 117 Ca 0.63 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.64 1wyg h PRO 117 Cb 1.85 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.87 1wyg h PRO 117 CO -0.25 0.47 0.42 0.78 -0.21 0.00 0.00 178.00 179.20 1wyg h GLY 118 N 0.21 1.11 0.82 -0.55 0.00 -1.03 -0.05 103.07 103.56 1wyg h GLY 118 Ca 0.07 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1wyg h GLY 118 CO -0.00 0.47 -0.09 -2.22 0.00 0.00 0.00 176.54 174.70 1wyg h ILE 119 N 1.03 1.30 -0.73 2.60 2.04 -1.37 -1.57 117.51 120.81 1wyg h ILE 119 Ca 0.26 -1.15 0.12 0.00 1.00 0.00 0.00 64.86 65.10 1wyg h ILE 119 Cb 0.02 1.61 -0.09 0.00 -0.74 0.00 0.00 36.82 37.63 1wyg h ILE 119 CO -0.04 0.35 0.31 0.58 0.00 0.00 0.00 178.15 179.35 1wyg h VAL 120 N 0.14 0.72 -0.11 1.67 2.07 -0.83 -0.49 116.25 119.42 1wyg h VAL 120 Ca 0.05 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 1wyg h VAL 120 Cb 0.58 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1wyg h VAL 120 CO 0.03 0.09 -0.40 0.24 0.02 0.00 0.00 177.57 177.55 1wyg h MET 121 N 0.49 0.24 -0.08 1.57 2.86 -0.74 0.21 114.93 119.47 1wyg h MET 121 Ca 0.39 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.88 1wyg h MET 121 Cb 0.53 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1wyg h MET 121 CO -0.35 0.61 -0.08 0.77 1.06 0.00 0.00 176.91 178.92 1wyg h SER 122 N 0.20 0.21 -0.61 1.22 0.02 -0.22 0.93 113.55 115.31 1wyg h SER 122 Ca 0.02 -0.48 -0.01 0.00 -0.84 0.00 0.00 61.79 60.48 1wyg h SER 122 Cb 0.80 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 1wyg h SER 122 CO 0.06 0.65 0.34 -0.03 -1.14 0.00 0.00 176.83 176.71 1wyg h MET 123 N -0.22 0.85 0.51 3.45 -1.53 -1.04 -1.32 114.93 115.63 1wyg h MET 123 Ca 0.01 -0.10 -0.02 0.00 -3.44 0.00 0.00 59.70 56.16 1wyg h MET 123 Cb 0.59 -0.17 -0.01 0.00 -0.55 0.00 0.00 31.60 31.46 1wyg h MET 123 CO 0.02 0.64 -0.34 -0.92 0.14 0.00 0.00 176.91 176.45 1wyg h TYR 124 N 0.83 -0.90 -0.99 1.39 3.20 -0.49 -0.89 116.97 119.12 1wyg h TYR 124 Ca 0.22 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.26 1wyg h TYR 124 Cb 0.03 0.33 -0.10 0.00 1.54 0.00 0.00 36.73 38.54 1wyg h TYR 124 CO -0.01 -0.51 0.62 1.15 -1.64 0.00 0.00 178.16 177.76 1wyg h THR 125 N -0.82 0.75 0.76 1.81 2.02 -0.65 -1.35 112.91 115.43 1wyg h THR 125 Ca -0.06 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 1wyg h THR 125 Cb 0.68 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1wyg h THR 125 CO 0.04 0.14 -0.41 0.25 0.37 0.00 0.00 175.52 175.91 1wyg h LEU 126 N 0.77 -1.01 -2.01 2.58 5.85 -0.62 -2.33 115.31 118.54 1wyg h LEU 126 Ca 0.55 0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.44 1wyg h LEU 126 Cb 0.84 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1wyg h LEU 126 CO -0.33 -0.67 0.42 -0.07 -0.34 0.00 0.00 178.44 177.45 1wyg h LEU 127 N -1.09 0.00 -0.50 2.25 3.38 -0.35 0.64 115.31 119.65 1wyg h LEU 127 Ca -0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1wyg h LEU 127 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1wyg h LEU 127 CO 0.14 0.00 -0.48 0.03 0.09 0.00 0.00 178.44 178.22 1wyg h ARG 128 N 0.00 0.00 0.06 1.13 2.47 -0.75 -3.21 114.38 114.08 1wyg h ARG 128 Ca 0.20 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.56 1wyg h ARG 128 Cb 1.04 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.31 1wyg h ARG 128 CO -0.00 0.48 -2.12 0.09 0.56 0.00 0.00 179.97 178.97 1wyg n ASN 129 N -3.40 1.69 -3.70 7.04 3.02 0.12 -4.79 115.26 115.24 1wyg n ASN 129 Ca 0.01 0.12 -0.30 0.00 -0.03 0.00 0.00 54.58 54.38 1wyg n ASN 129 Cb 0.63 -0.44 -0.15 0.00 -0.61 0.00 0.00 39.78 39.22 1wyg n ASN 129 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1wyg s GLN 130 N -2.55 0.68 0.27 3.52 2.00 0.18 -5.01 119.66 118.75 1wyg s GLN 130 Ca -0.22 -1.08 -0.00 0.00 -2.00 0.00 0.00 55.36 52.05 1wyg s GLN 130 Cb 0.07 -1.88 0.61 0.00 0.80 0.00 0.00 33.01 32.61 1wyg s GLN 130 CO 0.74 -1.01 1.69 -1.35 -0.50 0.00 0.00 175.29 174.85 1wyg h PRO 131 N 7.98 0.32 -2.96 1.67 0.11 -1.80 -3.22 132.00 134.10 1wyg h PRO 131 Ca -0.13 -0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.35 1wyg h PRO 131 Cb 1.01 -0.07 -0.41 0.00 0.11 0.00 0.00 31.00 31.64 1wyg h PRO 131 CO 0.46 0.21 -0.69 -1.21 -0.21 0.00 0.00 178.00 176.56 1wyg s GLU 132 N -5.96 1.89 0.99 1.05 2.02 -1.26 -4.95 118.70 112.48 1wyg s GLU 132 Ca -0.12 -2.79 -0.13 0.00 0.02 0.00 0.00 54.97 51.95 1wyg s GLU 132 Cb 0.24 -2.82 0.18 0.00 0.10 0.00 0.00 34.13 31.83 1wyg s GLU 132 CO 0.77 -1.26 1.11 -1.25 0.02 0.00 0.00 175.26 174.64 1wyg s PRO 133 N -0.71 0.47 0.18 0.39 0.04 -1.22 -4.67 135.00 129.49 1wyg s PRO 133 Ca 0.24 0.39 0.03 0.00 0.04 0.00 0.00 61.00 61.70 1wyg s PRO 133 Cb -0.09 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 1wyg s PRO 133 CO -0.12 -2.67 0.31 0.95 0.04 0.00 0.00 177.00 175.50 1wyg s THR 134 N -3.07 5.30 0.46 1.26 -4.23 -1.26 -0.78 115.64 113.32 1wyg s THR 134 Ca 0.65 -0.77 0.25 0.00 -1.18 0.00 0.00 61.69 60.64 1wyg s THR 134 Cb -0.17 -3.78 0.44 0.00 1.34 0.00 0.00 72.50 70.33 1wyg s THR 134 CO 0.56 -0.17 1.81 0.58 -0.54 0.00 0.00 174.62 176.87 1wyg h VAL 135 N 1.48 0.53 -0.04 2.29 2.07 -1.93 -0.05 116.25 120.60 1wyg h VAL 135 Ca -0.50 -0.08 -0.23 0.00 0.82 0.00 0.00 66.70 66.71 1wyg h VAL 135 Cb 1.21 0.27 0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1wyg h VAL 135 CO 0.66 0.04 -0.88 -0.08 0.02 0.00 0.00 177.57 177.34 1wyg h GLU 136 N 0.24 0.67 -0.74 1.57 4.81 -2.00 -2.82 114.58 116.30 1wyg h GLU 136 Ca 0.54 -0.66 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1wyg h GLU 136 Cb 1.66 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 31.19 1wyg h GLU 136 CO -0.16 1.26 0.31 0.93 -0.73 0.00 0.00 179.01 180.62 1wyg h GLU 137 N 0.33 1.10 0.08 1.92 5.08 -1.45 -1.53 114.58 120.10 1wyg h GLU 137 Ca -0.10 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1wyg h GLU 137 Cb 1.54 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.58 1wyg h GLU 137 CO 0.17 0.89 -0.19 0.82 -1.00 0.00 0.00 179.01 179.71 1wyg h ILE 138 N 1.06 0.57 -0.71 3.13 2.04 -1.17 -2.11 117.51 120.31 1wyg h ILE 138 Ca 0.25 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.09 1wyg h ILE 138 Cb 0.19 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1wyg h ILE 138 CO -0.02 0.00 0.36 -0.08 0.00 0.00 0.00 178.15 178.41 1wyg h GLU 139 N -0.34 1.00 0.00 2.37 4.81 -1.29 -1.60 114.58 119.53 1wyg h GLU 139 Ca 0.03 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1wyg h GLU 139 Cb 0.38 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1wyg h GLU 139 CO -0.12 0.76 -0.03 -0.91 -0.73 0.00 0.00 179.01 177.98 1wyg h ASN 140 N 1.00 0.00 -0.60 1.04 2.35 -0.86 -2.33 115.58 116.18 1wyg h ASN 140 Ca 0.25 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 1wyg h ASN 140 Cb 0.07 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1wyg h ASN 140 CO -0.04 0.03 0.33 0.00 -1.65 0.00 0.00 177.43 176.10 1wyg h ALA 141 N 1.97 1.40 -0.41 -0.83 0.00 -0.63 -3.07 119.26 117.70 1wyg h ALA 141 Ca -0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1wyg h ALA 141 Cb 0.28 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1wyg h ALA 141 CO 0.00 0.48 0.14 1.19 0.00 0.00 0.00 179.25 181.07 1wyg n PHE 142 N -4.37 1.37 0.18 0.00 0.99 -0.87 -4.40 117.46 110.35 1wyg n PHE 142 Ca 0.06 -0.73 0.03 0.00 -0.00 0.00 0.00 57.45 56.80 1wyg n PHE 142 Cb 0.11 -0.45 0.34 0.00 -1.00 0.00 0.00 39.48 38.48 1wyg n PHE 142 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 1wyg h GLN 143 N 1.57 0.00 -0.70 -1.08 4.20 -1.68 -2.75 115.11 114.67 1wyg h GLN 143 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1wyg h GLN 143 Cb 1.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.39 1wyg h GLN 143 CO 0.41 0.41 0.00 0.41 -0.67 0.00 0.00 178.83 179.38 1wyg n GLY 144 N -0.24 2.61 3.19 3.46 0.00 -1.26 -4.49 105.19 108.46 1wyg n GLY 144 Ca -0.02 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 1wyg n GLY 144 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wyg s ASN 145 N -0.94 3.24 0.00 1.61 0.01 -1.04 -2.18 114.94 115.65 1wyg s ASN 145 Ca 0.51 -0.57 0.05 0.00 -0.71 0.00 0.00 52.86 52.14 1wyg s ASN 145 Cb 0.30 -1.47 -0.03 0.00 0.41 0.00 0.00 41.25 40.46 1wyg s ASN 145 CO 0.29 0.08 -0.13 -0.76 -1.51 0.00 0.00 177.10 175.07 1wyg s LEU 146 N 0.80 2.84 -0.02 0.60 1.43 0.42 -4.71 118.68 120.04 1wyg s LEU 146 Ca -0.07 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1wyg s LEU 146 Cb -0.16 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.44 1wyg s LEU 146 CO -0.01 0.29 -0.04 0.00 0.23 0.00 0.00 176.35 176.82 1wyg n ARG 148 N 3.59 1.56 -0.04 0.00 3.00 -1.26 -4.69 116.66 118.82 1wyg n ARG 148 Ca -0.21 -1.28 -0.06 0.00 -0.00 0.00 0.00 57.85 56.31 1wyg n ARG 148 Cb 0.54 -1.33 -0.04 0.00 0.00 0.00 0.00 32.46 31.63 1wyg n ARG 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wyg h THR 150 N -0.03 1.47 0.00 0.00 1.35 -1.87 -3.35 112.91 110.49 1wyg h THR 150 Ca -0.19 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 1wyg h THR 150 Cb 1.28 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.99 1wyg h THR 150 CO -0.04 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 1wyg n GLY 151 N 0.57 0.43 4.50 5.82 0.00 -1.26 -3.93 105.19 111.31 1wyg n GLY 151 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1wyg n GLY 151 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wyg n TYR 152 N -3.00 0.00 0.03 1.61 4.02 -1.26 -4.76 117.16 113.80 1wyg n TYR 152 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.83 1wyg n TYR 152 Cb 0.00 -0.34 -0.04 0.00 -0.02 0.00 0.00 39.34 38.94 1wyg n TYR 152 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1wyg h ARG 153 N 0.00 -0.27 -0.71 -0.72 2.43 -1.96 -2.57 114.38 110.59 1wyg h ARG 153 Ca 0.00 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.34 1wyg h ARG 153 Cb 0.00 0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 29.48 1wyg h ARG 153 CO 0.00 -0.18 -0.10 -1.00 -1.51 0.00 0.00 179.97 177.18 1wyg h PRO 154 N -0.28 0.04 -0.09 0.20 0.13 -1.86 0.24 132.00 130.38 1wyg h PRO 154 Ca 0.00 -0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 1wyg h PRO 154 Cb 0.29 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.38 1wyg h PRO 154 CO -0.14 0.03 -0.29 0.82 -0.23 0.00 0.00 178.00 178.19 1wyg h ILE 155 N 0.04 0.00 -0.44 -3.56 2.04 -1.78 0.25 117.51 114.06 1wyg h ILE 155 Ca 0.36 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.25 1wyg h ILE 155 Cb 0.59 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1wyg h ILE 155 CO -0.68 0.00 0.23 -0.07 0.00 0.00 0.00 178.15 177.63 1wyg h LEU 156 N -0.30 0.34 -0.75 1.44 3.38 -0.95 -0.14 115.31 118.33 1wyg h LEU 156 Ca 0.02 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.10 1wyg h LEU 156 Cb 0.36 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1wyg h LEU 156 CO -0.25 0.24 0.40 -0.61 0.09 0.00 0.00 178.44 178.32 1wyg h GLN 157 N 0.46 0.66 0.02 1.13 4.15 -0.12 0.18 115.11 121.58 1wyg h GLN 157 Ca 0.19 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 1wyg h GLN 157 Cb 0.08 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1wyg h GLN 157 CO -0.12 0.44 -0.01 0.78 -1.93 0.00 0.00 178.83 177.99 1wyg h GLY 158 N 0.68 -0.02 2.00 2.39 0.00 0.14 -2.91 103.07 105.35 1wyg h GLY 158 Ca 0.36 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1wyg h GLY 158 CO -0.26 -0.01 0.00 0.74 0.00 0.00 0.00 176.54 177.02 1wyg h PHE 159 N -0.23 0.00 -0.90 5.60 0.04 -0.42 -3.03 116.94 118.00 1wyg h PHE 159 Ca -0.00 0.00 0.21 0.00 2.80 0.00 0.00 57.97 60.98 1wyg h PHE 159 Cb 0.22 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.25 1wyg h PHE 159 CO -0.00 0.00 0.42 -0.09 -0.60 0.00 0.00 178.31 178.03 1wyg h ARG 160 N 0.00 0.44 0.00 1.51 2.43 -0.46 0.16 114.38 118.46 1wyg h ARG 160 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1wyg h ARG 160 Cb 0.35 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1wyg h ARG 160 CO 0.00 0.29 0.38 1.79 -1.51 0.00 0.00 179.97 180.92 1wyg h THR 161 N 0.45 0.00 0.00 0.20 1.35 -1.68 0.24 112.91 113.47 1wyg h THR 161 Ca 0.55 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.41 1wyg h THR 161 Cb 1.00 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1wyg h THR 161 CO -0.50 0.00 -0.71 -0.26 -0.25 0.00 0.00 175.52 173.81 1wyg h PHE 162 N 0.00 0.00 -3.48 4.73 -1.00 -1.21 -3.49 116.94 112.50 1wyg h PHE 162 Ca 0.00 0.00 -0.45 0.00 2.81 0.00 0.00 57.97 60.33 1wyg h PHE 162 Cb 0.76 0.00 0.15 0.00 3.61 0.00 0.00 35.95 40.46 1wyg h PHE 162 CO 0.00 0.00 0.35 0.00 -1.61 0.00 0.00 178.31 177.05 1wyg s ALA 163 N -3.31 2.59 0.00 2.45 0.00 0.84 -4.19 121.76 120.14 1wyg s ALA 163 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1wyg s ALA 163 Cb 0.09 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1wyg s ALA 163 CO 0.75 -2.25 0.00 1.63 0.00 0.00 0.00 175.76 175.89 1wyg n LYS 164 N -3.57 0.00 -0.22 0.00 5.02 0.04 -4.93 118.16 114.50 1wyg n LYS 164 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1wyg n LYS 164 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 1wyg n LYS 164 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1wyg n PRO 192 N 0.00 1.35 -4.23 1.97 -0.02 -1.26 -4.87 135.00 127.94 1wyg n PRO 192 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.32 1wyg n PRO 192 Cb 0.00 -0.29 -0.11 0.00 -0.02 0.00 0.00 33.50 33.08 1wyg n PRO 192 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1wyg s SER 193 N -0.68 1.85 0.20 2.55 0.01 -1.26 -4.87 113.70 111.50 1wyg s SER 193 Ca 0.00 -0.85 0.11 0.00 1.31 0.00 0.00 55.95 56.52 1wyg s SER 193 Cb 0.00 -0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.11 1wyg s SER 193 CO 0.00 -0.21 1.35 -0.07 0.41 0.00 0.00 173.24 174.72 1wyg h LEU 194 N 3.36 0.00 0.00 2.44 3.38 -1.96 -3.47 115.31 119.06 1wyg h LEU 194 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1wyg h LEU 194 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1wyg h LEU 194 CO 0.54 0.75 0.00 2.22 0.09 0.00 0.00 178.44 182.04 1wyg n PHE 195 N -3.28 -0.69 -3.40 1.13 1.16 -1.26 -4.92 117.46 106.20 1wyg n PHE 195 Ca 0.01 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.41 1wyg n PHE 195 Cb 0.84 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.61 1wyg n PHE 195 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1wyg s ASN 196 N -0.49 1.72 0.20 5.98 3.84 -1.26 -4.98 114.94 119.96 1wyg s ASN 196 Ca 0.00 -0.84 0.18 0.00 0.21 0.00 0.00 52.86 52.41 1wyg s ASN 196 Cb 0.00 0.47 0.85 0.00 -0.55 0.00 0.00 41.25 42.03 1wyg s ASN 196 CO 0.00 -0.38 1.56 -0.81 -2.79 0.00 0.00 177.10 174.68 1wyg n PRO 197 N 5.23 0.12 0.23 0.43 -0.04 -1.26 -1.03 135.00 138.68 1wyg n PRO 197 Ca -0.01 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 1wyg n PRO 197 Cb 0.46 -1.79 0.54 0.00 -0.04 0.00 0.00 33.50 32.67 1wyg n PRO 197 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1wyg h GLU 198 N 0.00 0.00 -0.01 0.54 4.81 -2.04 -2.65 114.58 115.23 1wyg h GLU 198 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wyg h GLU 198 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1wyg h GLU 198 CO 0.00 0.20 -0.32 -0.25 -0.73 0.00 0.00 179.01 177.91 1wyg n ASP 199 N -3.47 1.67 -4.76 1.04 8.00 -0.20 -4.94 116.55 113.89 1wyg n ASP 199 Ca -0.01 -1.31 -0.41 0.00 0.71 0.00 0.00 54.79 53.78 1wyg n ASP 199 Cb 0.37 0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.72 1wyg n ASP 199 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1wyg s PHE 200 N -2.41 2.96 0.29 1.24 2.99 -1.00 -4.95 117.98 117.09 1wyg s PHE 200 Ca 0.23 1.24 -0.29 0.00 0.00 0.00 0.00 56.93 58.11 1wyg s PHE 200 Cb 0.19 -3.78 -0.10 0.00 0.00 0.00 0.00 43.02 39.33 1wyg s PHE 200 CO 0.51 -2.32 1.17 -1.59 -0.00 0.00 0.00 175.22 172.99 1wyg s LYS 201 N -1.36 4.55 1.07 0.44 -2.85 -1.26 -4.99 119.74 115.33 1wyg s LYS 201 Ca 0.53 1.93 -0.12 0.00 -1.00 0.00 0.00 55.97 57.31 1wyg s LYS 201 Cb -0.42 -3.16 0.21 0.00 -2.06 0.00 0.00 37.83 32.41 1wyg s LYS 201 CO 0.51 0.07 0.94 -2.30 0.10 0.00 0.00 175.35 174.68 1wyg n PRO 202 N 1.15 -1.59 -3.95 1.78 -0.02 -1.26 -4.87 135.00 126.24 1wyg n PRO 202 Ca -0.00 -0.42 -0.31 0.00 -2.02 0.00 0.00 63.50 60.74 1wyg n PRO 202 Cb 0.44 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 1wyg n PRO 202 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1wyg s LEU 203 N -6.16 4.22 -0.37 2.45 2.96 -1.26 -4.89 118.68 115.64 1wyg s LEU 203 Ca 0.66 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 1wyg s LEU 203 Cb -0.23 -2.77 0.15 0.00 0.50 0.00 0.00 46.19 43.84 1wyg s LEU 203 CO 0.63 0.19 0.25 -0.62 -1.32 0.00 0.00 176.35 175.48 1wyg s ASP 204 N -2.34 2.47 0.56 3.68 -1.08 -1.26 -5.01 116.67 113.68 1wyg s ASP 204 Ca 0.32 -2.34 0.44 0.00 -0.52 0.00 0.00 52.55 50.45 1wyg s ASP 204 Cb -0.13 -0.33 1.63 0.00 -1.46 0.00 0.00 42.92 42.64 1wyg s ASP 204 CO 0.24 -0.27 1.64 -0.65 0.52 0.00 0.00 175.17 176.65 1wyg h PRO 205 N 6.69 0.00 0.00 4.34 0.11 -2.00 0.38 132.00 141.53 1wyg h PRO 205 Ca 0.11 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 1wyg h PRO 205 Cb 0.96 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1wyg h PRO 205 CO 0.28 0.00 -0.40 1.79 -0.21 0.00 0.00 178.00 179.45 1wyg h THR 206 N 0.00 1.17 -0.20 -1.15 1.35 -2.03 -3.18 112.91 108.86 1wyg h THR 206 Ca 0.78 -1.44 -0.13 0.00 -0.55 0.00 0.00 66.41 65.07 1wyg h THR 206 Cb 3.19 1.80 -0.06 0.00 -1.73 0.00 0.00 68.15 71.36 1wyg h THR 206 CO -0.01 0.40 0.16 0.00 -0.25 0.00 0.00 175.52 175.82 1wyg n GLN 207 N -3.89 1.31 -4.21 4.72 1.13 0.12 -4.87 117.38 111.71 1wyg n GLN 207 Ca -0.01 -0.65 -0.30 0.00 -1.94 0.00 0.00 57.00 54.11 1wyg n GLN 207 Cb 0.46 -1.25 -0.09 0.00 0.11 0.00 0.00 30.24 29.46 1wyg n GLN 207 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1wyg s GLU 208 N -0.74 2.22 -0.03 -1.09 0.41 -1.21 -5.04 118.70 113.23 1wyg s GLU 208 Ca 0.13 -1.00 -0.39 0.00 -0.41 0.00 0.00 54.97 53.30 1wyg s GLU 208 Cb 0.10 -2.35 -0.17 0.00 -1.78 0.00 0.00 34.13 29.93 1wyg s GLU 208 CO 0.00 0.51 1.36 -2.30 -0.49 0.00 0.00 175.26 174.35 1wyg n PRO 209 N 0.60 0.84 -0.64 0.39 -0.02 -1.26 -4.91 135.00 129.99 1wyg n PRO 209 Ca -0.13 0.30 -0.31 0.00 -2.02 0.00 0.00 63.50 61.35 1wyg n PRO 209 Cb 0.52 -1.91 0.19 0.00 -0.02 0.00 0.00 33.50 32.28 1wyg n PRO 209 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1wyg n ILE 210 N 2.73 0.00 -3.40 4.25 3.06 -1.26 -4.96 119.36 119.78 1wyg n ILE 210 Ca 0.21 -0.13 -0.40 0.00 -2.50 0.00 0.00 62.75 59.92 1wyg n ILE 210 Cb 0.14 -0.95 -0.09 0.00 0.54 0.00 0.00 39.64 39.28 1wyg n ILE 210 CO 0.00 0.00 0.00 0.12 -2.50 0.00 0.00 176.55 174.17 1wyg s PHE 211 N -2.55 3.21 -0.30 9.51 5.36 -1.26 -4.95 117.98 127.00 1wyg s PHE 211 Ca 0.66 0.06 -0.06 0.00 -0.96 0.00 0.00 56.93 56.63 1wyg s PHE 211 Cb -0.23 -2.65 -0.08 0.00 -0.34 0.00 0.00 43.02 39.72 1wyg s PHE 211 CO 0.61 -0.39 0.73 -2.30 -1.46 0.00 0.00 175.22 172.41 1wyg n PRO 212 N 5.37 0.00 -0.32 10.12 -0.02 -1.26 -4.76 135.00 144.14 1wyg n PRO 212 Ca -0.09 0.00 0.32 0.00 -2.02 0.00 0.00 63.50 61.71 1wyg n PRO 212 Cb 0.50 -0.38 0.69 0.00 -0.02 0.00 0.00 33.50 34.29 1wyg n PRO 212 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wyg h PRO 213 N 3.45 0.09 -0.87 0.52 0.11 -1.98 0.65 132.00 133.97 1wyg h PRO 213 Ca -0.00 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.14 1wyg h PRO 213 Cb 0.37 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.41 1wyg h PRO 213 CO 0.45 0.06 0.57 0.93 -0.21 0.00 0.00 178.00 179.80 1wyg h GLU 214 N 0.09 1.03 -0.24 1.05 5.08 -2.00 -1.02 114.58 118.57 1wyg h GLU 214 Ca 0.57 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.81 1wyg h GLU 214 Cb 2.09 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 31.09 1wyg h GLU 214 CO -0.08 0.68 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.43 1wyg h LEU 215 N 1.06 0.38 -0.54 1.33 3.38 -0.02 -1.59 115.31 119.31 1wyg h LEU 215 Ca 0.35 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 1wyg h LEU 215 Cb 0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1wyg h LEU 215 CO -0.11 0.53 -0.66 -0.07 0.09 0.00 0.00 178.44 178.22 1wyg h LEU 216 N 0.37 0.00 -0.75 1.67 3.38 -1.19 -2.50 115.31 116.30 1wyg h LEU 216 Ca 0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1wyg h LEU 216 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1wyg h LEU 216 CO 0.02 0.66 -0.32 0.03 0.09 0.00 0.00 178.44 178.93 1wyg h ARG 217 N 0.00 0.60 -0.05 1.13 3.08 -0.46 -3.12 114.38 115.56 1wyg h ARG 217 Ca -0.01 -0.27 -0.17 0.00 0.07 0.00 0.00 59.98 59.61 1wyg h ARG 217 Cb 1.25 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1wyg h ARG 217 CO 0.09 0.84 -0.70 -0.07 -1.07 0.00 0.00 179.97 179.05 1wyg h LEU 218 N 0.51 0.32 0.00 3.04 3.38 -1.17 -3.15 115.31 118.24 1wyg h LEU 218 Ca 0.06 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1wyg h LEU 218 Cb 0.80 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1wyg h LEU 218 CO 0.07 0.92 0.00 2.29 0.09 0.00 0.00 178.44 181.80 1wyg n LYS 219 N -3.81 0.00 -0.04 1.13 -0.00 -0.95 -0.64 118.16 113.85 1wyg n LYS 219 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.18 1wyg n LYS 219 Cb 0.69 -1.49 -0.14 0.00 -0.00 0.00 0.00 35.03 34.08 1wyg n LYS 219 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1wyg n ASP 220 N -0.96 0.78 -4.80 -5.58 8.00 -1.19 -4.89 116.55 107.91 1wyg n ASP 220 Ca 0.00 0.31 -0.36 0.00 0.71 0.00 0.00 54.79 55.45 1wyg n ASP 220 Cb 0.00 0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 41.13 1wyg n ASP 220 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1wyg s THR 221 N -2.57 5.43 0.02 -3.53 -4.23 0.19 -5.05 115.64 105.90 1wyg s THR 221 Ca -0.07 0.26 -0.30 0.00 -1.18 0.00 0.00 61.69 60.40 1wyg s THR 221 Cb 0.07 -3.46 -0.08 0.00 1.34 0.00 0.00 72.50 70.37 1wyg s THR 221 CO 0.82 0.52 1.96 -2.16 -0.54 0.00 0.00 174.62 175.22 1wyg s PRO 222 N -0.33 4.10 0.48 3.99 0.04 -1.26 -4.95 135.00 137.08 1wyg s PRO 222 Ca 0.13 2.56 -0.23 0.00 0.04 0.00 0.00 61.00 63.49 1wyg s PRO 222 Cb -0.12 -4.16 -0.08 0.00 0.04 0.00 0.00 34.50 30.18 1wyg s PRO 222 CO 0.02 -1.00 1.25 0.00 0.04 0.00 0.00 177.00 177.31 1wyg n GLN 223 N 7.57 1.71 -4.43 4.56 10.64 -1.26 -5.02 117.38 131.16 1wyg n GLN 223 Ca 0.20 0.62 -0.27 0.00 -1.83 0.00 0.00 57.00 55.72 1wyg n GLN 223 Cb 0.41 -2.41 -0.09 0.00 -0.86 0.00 0.00 30.24 27.30 1wyg n GLN 223 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1wyg s LYS 224 N -2.48 2.10 0.18 2.61 0.00 -1.26 -4.94 119.74 115.95 1wyg s LYS 224 Ca 0.66 -2.05 -0.30 0.00 0.00 0.00 0.00 55.97 54.28 1wyg s LYS 224 Cb -0.47 -1.77 -0.08 0.00 0.00 0.00 0.00 37.83 35.50 1wyg s LYS 224 CO 0.54 -0.15 1.33 0.21 0.00 0.00 0.00 175.35 177.28 1wyg s LYS 225 N -3.83 4.37 0.08 1.78 2.20 -1.26 -4.77 119.74 118.31 1wyg s LYS 225 Ca 0.33 2.06 0.07 0.00 -0.36 0.00 0.00 55.97 58.07 1wyg s LYS 225 Cb 0.06 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 1wyg s LYS 225 CO 0.18 -0.30 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.22 1wyg s LEU 226 N 0.18 2.84 -0.09 5.43 1.43 -1.17 -3.38 118.68 123.92 1wyg s LEU 226 Ca 0.58 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1wyg s LEU 226 Cb -0.36 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1wyg s LEU 226 CO 0.36 0.21 -0.08 -0.60 0.23 0.00 0.00 176.35 176.47 1wyg s ARG 227 N -1.87 1.45 -0.22 1.70 3.52 -0.88 -0.84 118.95 121.81 1wyg s ARG 227 Ca 0.18 -0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 1wyg s ARG 227 Cb -0.11 -1.42 0.03 0.00 -1.56 0.00 0.00 34.95 31.89 1wyg s ARG 227 CO 0.10 -0.16 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.24 1wyg s PHE 228 N 1.33 2.98 -0.03 5.12 0.40 0.05 -4.33 117.98 123.51 1wyg s PHE 228 Ca -0.03 -1.70 -0.18 0.00 -0.60 0.00 0.00 56.93 54.43 1wyg s PHE 228 Cb -0.14 -1.98 -0.05 0.00 0.51 0.00 0.00 43.02 41.36 1wyg s PHE 228 CO -0.04 -0.78 0.48 -2.00 0.70 0.00 0.00 175.22 173.59 1wyg s GLU 229 N 1.28 4.17 0.46 0.44 2.56 -1.26 -0.85 118.70 125.50 1wyg s GLU 229 Ca 0.01 0.52 0.01 0.00 0.00 0.00 0.00 54.97 55.51 1wyg s GLU 229 Cb -0.16 -3.32 -0.00 0.00 2.00 0.00 0.00 34.13 32.65 1wyg s GLU 229 CO -0.08 0.45 0.04 0.41 -0.56 0.00 0.00 175.26 175.52 1wyg n GLY 230 N 2.41 3.51 0.40 -1.50 0.00 -0.41 -4.61 105.19 104.98 1wyg n GLY 230 Ca -0.10 -2.29 0.22 0.00 0.00 0.00 0.00 46.02 43.85 1wyg n GLY 230 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wyg h GLU 231 N 0.00 0.41 0.00 1.61 4.81 -1.96 -3.32 114.58 116.13 1wyg h GLU 231 Ca -0.37 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1wyg h GLU 231 Cb 1.20 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1wyg h GLU 231 CO 0.61 0.27 -0.04 2.89 -0.73 0.00 0.00 179.01 182.01 1wyg n ARG 232 N -4.67 0.00 -3.88 1.92 1.85 -1.26 -5.11 116.66 105.51 1wyg n ARG 232 Ca 0.26 -0.13 -0.17 0.00 -1.00 0.00 0.00 57.85 56.81 1wyg n ARG 232 Cb 0.86 -0.09 -0.16 0.00 -1.05 0.00 0.00 32.46 32.02 1wyg n ARG 232 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1wyg s VAL 233 N 0.00 0.12 -0.18 8.89 1.01 -1.25 -4.55 120.40 124.43 1wyg s VAL 233 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 1wyg s VAL 233 Cb 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 1wyg s VAL 233 CO 0.00 0.14 0.11 -0.89 0.00 0.00 0.00 175.10 174.46 1wyg s THR 234 N 1.12 5.25 -0.15 3.92 2.01 -0.53 -1.29 115.64 125.96 1wyg s THR 234 Ca -0.08 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.06 1wyg s THR 234 Cb -0.13 -3.37 0.02 0.00 0.01 0.00 0.00 72.50 69.02 1wyg s THR 234 CO -0.02 0.47 -0.18 0.86 -0.69 0.00 0.00 174.62 175.05 1wyg s TRP 235 N 0.18 2.50 -0.16 4.92 -0.11 -0.03 -0.55 118.94 125.68 1wyg s TRP 235 Ca 0.08 -1.39 -0.03 0.00 1.22 0.00 0.00 56.10 55.98 1wyg s TRP 235 Cb -0.11 -1.75 -0.02 0.00 -1.50 0.00 0.00 33.47 30.08 1wyg s TRP 235 CO -0.01 -0.69 -0.05 0.42 -4.62 0.00 0.00 176.95 172.00 1wyg s ILE 236 N 1.21 3.69 -0.83 5.86 1.01 -1.01 -0.77 121.20 130.36 1wyg s ILE 236 Ca 0.01 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 1wyg s ILE 236 Cb -0.14 -2.62 0.22 0.00 0.01 0.00 0.00 42.46 39.93 1wyg s ILE 236 CO -0.09 0.49 0.76 -1.58 0.00 0.00 0.00 174.94 174.52 1wyg s GLN 237 N 0.50 3.51 0.52 2.79 2.00 -0.02 -1.03 119.66 127.93 1wyg s GLN 237 Ca -0.04 -2.59 -0.22 0.00 -2.00 0.00 0.00 55.36 50.50 1wyg s GLN 237 Cb -0.15 -4.32 -0.06 0.00 0.80 0.00 0.00 33.01 29.28 1wyg s GLN 237 CO 0.03 -1.27 1.31 0.00 -0.50 0.00 0.00 175.29 174.86 1wyg n ALA 238 N 3.70 1.42 -0.01 1.58 0.00 -0.80 -3.05 120.51 123.35 1wyg n ALA 238 Ca 0.14 0.15 0.03 0.00 0.00 0.00 0.00 53.44 53.77 1wyg n ALA 238 Cb 0.44 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.52 1wyg n ALA 238 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wyg n SER 239 N -0.65 3.31 -4.09 0.00 3.41 -1.26 -4.38 113.62 109.95 1wyg n SER 239 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.58 1wyg n SER 239 Cb 0.43 1.26 -0.11 0.00 -0.26 0.00 0.00 64.21 65.53 1wyg n SER 239 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1wyg s THR 240 N -2.47 0.61 0.18 6.66 -4.23 -1.26 -4.18 115.64 110.94 1wyg s THR 240 Ca -0.03 -1.26 -0.14 0.00 -1.18 0.00 0.00 61.69 59.08 1wyg s THR 240 Cb 0.04 -0.85 0.11 0.00 1.34 0.00 0.00 72.50 73.14 1wyg s THR 240 CO 0.30 -0.47 1.70 -0.03 -0.54 0.00 0.00 174.62 175.59 1wyg h MET 241 N 4.18 0.17 -0.69 3.99 4.05 -1.96 -1.62 114.93 123.05 1wyg h MET 241 Ca -0.36 -0.01 0.15 0.00 -0.28 0.00 0.00 59.70 59.20 1wyg h MET 241 Cb 1.19 -0.04 -0.12 0.00 -0.80 0.00 0.00 31.60 31.83 1wyg h MET 241 CO 0.45 0.11 -0.08 1.49 0.23 0.00 0.00 176.91 179.12 1wyg h GLU 242 N 0.17 0.05 0.15 0.39 4.81 -1.99 -0.61 114.58 117.56 1wyg h GLU 242 Ca 0.24 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1wyg h GLU 242 Cb 0.34 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1wyg h GLU 242 CO -0.35 0.03 -0.09 0.93 -0.73 0.00 0.00 179.01 178.80 1wyg h GLU 243 N 0.05 -0.23 0.02 1.92 5.08 -1.73 -0.99 114.58 118.71 1wyg h GLU 243 Ca 0.35 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.76 1wyg h GLU 243 Cb 0.58 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 1wyg h GLU 243 CO -0.65 -0.15 -0.35 1.25 -1.00 0.00 0.00 179.01 178.11 1wyg h LEU 244 N -0.23 -1.05 -0.75 1.33 5.85 -0.63 0.21 115.31 120.03 1wyg h LEU 244 Ca -0.02 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1wyg h LEU 244 Cb 0.19 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1wyg h LEU 244 CO 0.02 -0.41 0.26 -0.07 -0.34 0.00 0.00 178.44 177.89 1wyg h LEU 245 N -0.52 1.07 -0.54 2.25 3.38 -1.17 -0.67 115.31 119.10 1wyg h LEU 245 Ca 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1wyg h LEU 245 Cb 0.60 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1wyg h LEU 245 CO -0.27 0.98 0.31 -0.78 0.09 0.00 0.00 178.44 178.77 1wyg h ASP 246 N 1.10 0.66 -0.28 -0.43 3.58 -0.80 0.74 116.42 120.99 1wyg h ASP 246 Ca 0.24 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 1wyg h ASP 246 Cb 0.27 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1wyg h ASP 246 CO -0.01 0.54 0.12 0.25 -2.88 0.00 0.00 179.24 177.26 1wyg h LEU 247 N 0.72 0.38 -1.32 2.28 7.12 -0.24 -1.38 115.31 122.86 1wyg h LEU 247 Ca 0.19 -0.15 -0.00 0.00 0.13 0.00 0.00 57.88 58.05 1wyg h LEU 247 Cb 0.02 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.02 1wyg h LEU 247 CO -0.03 0.42 0.36 0.11 -0.13 0.00 0.00 178.44 179.17 1wyg h LYS 248 N 0.31 0.82 0.17 1.25 1.79 -0.79 0.30 116.57 120.41 1wyg h LYS 248 Ca 0.09 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1wyg h LYS 248 Cb 0.16 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1wyg h LYS 248 CO -0.01 0.58 -0.08 0.00 -1.08 0.00 0.00 179.45 178.86 1wyg h ALA 249 N 1.56 -0.22 0.00 3.86 0.00 -0.42 0.09 119.26 124.13 1wyg h ALA 249 Ca 0.22 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1wyg h ALA 249 Cb -0.03 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1wyg h ALA 249 CO -0.04 -0.54 -0.37 1.96 0.00 0.00 0.00 179.25 180.26 1wyg h GLN 250 N -0.39 0.00 -1.89 0.00 1.08 -0.87 -3.38 115.11 109.65 1wyg h GLN 250 Ca -0.02 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 56.74 1wyg h GLN 250 Cb 0.30 0.00 -0.30 0.00 -0.05 0.00 0.00 27.48 27.43 1wyg h GLN 250 CO 0.04 0.37 -0.81 -1.01 -0.95 0.00 0.00 178.83 176.46 1wyg s HIS 251 N -3.85 0.14 0.55 2.96 3.76 0.10 -4.98 115.29 113.98 1wyg s HIS 251 Ca -0.01 -1.71 0.24 0.00 -0.15 0.00 0.00 55.06 53.43 1wyg s HIS 251 Cb 0.12 -0.49 1.47 0.00 1.11 0.00 0.00 32.58 34.80 1wyg s HIS 251 CO 0.69 -0.98 2.08 -1.35 -0.85 0.00 0.00 174.74 174.33 1wyg h PRO 252 N 5.45 0.00 0.00 8.40 0.11 -1.16 0.31 132.00 145.11 1wyg h PRO 252 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1wyg h PRO 252 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1wyg h PRO 252 CO 0.25 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.42 1wyg h ASP 253 N 0.00 0.00 -1.47 -2.05 2.03 -1.85 -3.43 116.42 109.64 1wyg h ASP 253 Ca 0.12 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.79 1wyg h ASP 253 Cb 0.54 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.03 1wyg h ASP 253 CO -0.00 0.00 1.46 0.00 -1.03 0.00 0.00 179.24 179.67 1wyg n ALA 254 N -2.00 1.37 -2.38 4.15 0.00 0.10 -4.87 120.51 116.88 1wyg n ALA 254 Ca -0.02 -0.17 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1wyg n ALA 254 Cb 0.11 -2.73 -0.02 0.00 0.00 0.00 0.00 19.45 16.81 1wyg n ALA 254 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wyg s LYS 255 N 6.38 4.26 0.42 0.00 2.36 0.23 -4.87 119.74 128.51 1wyg s LYS 255 Ca 1.06 1.73 -0.23 0.00 -2.55 0.00 0.00 55.97 55.97 1wyg s LYS 255 Cb -0.62 -3.73 -0.09 0.00 -1.05 0.00 0.00 37.83 32.35 1wyg s LYS 255 CO 0.42 -0.65 1.05 -0.51 1.55 0.00 0.00 175.35 177.21 1wyg s LEU 256 N 3.19 4.07 -0.12 5.43 2.01 -1.26 -1.39 118.68 130.61 1wyg s LEU 256 Ca 0.57 2.01 -0.10 0.00 0.01 0.00 0.00 54.13 56.63 1wyg s LEU 256 Cb -0.24 -4.27 0.03 0.00 0.01 0.00 0.00 46.19 41.72 1wyg s LEU 256 CO 0.18 -0.56 0.30 -0.69 1.01 0.00 0.00 176.35 176.59 1wyg s VAL 257 N -1.74 -0.01 0.00 -1.59 1.01 -0.84 -4.85 120.40 112.38 1wyg s VAL 257 Ca 0.60 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1wyg s VAL 257 Cb -0.21 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1wyg s VAL 257 CO 0.26 0.01 0.00 0.52 0.00 0.00 0.00 175.10 175.89 1wyg n VAL 258 N 3.21 0.00 0.59 2.92 0.31 -1.26 -3.74 118.33 120.36 1wyg n VAL 258 Ca -0.15 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.30 1wyg n VAL 258 Cb 0.57 0.00 0.44 0.00 -0.91 0.00 0.00 33.84 33.94 1wyg n VAL 258 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wyg n GLY 259 N 2.65 -1.56 3.55 2.92 0.00 -1.19 -4.89 105.19 106.68 1wyg n GLY 259 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wyg n GLY 259 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wyg n ASN 260 N -2.18 -2.21 0.00 1.61 5.15 -1.26 -4.78 115.26 111.58 1wyg n ASN 260 Ca 0.05 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.08 1wyg n ASN 260 Cb 0.36 -2.71 0.26 0.00 -0.53 0.00 0.00 39.78 37.17 1wyg n ASN 260 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1wyg n THR 261 N -2.02 0.82 -0.01 -0.44 -2.24 -1.26 0.86 114.28 109.99 1wyg n THR 261 Ca 0.00 0.21 -0.04 0.00 -2.27 0.00 0.00 64.05 61.94 1wyg n THR 261 Cb 0.18 -1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 67.36 1wyg n THR 261 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1wyg n GLU 262 N -1.32 0.21 -0.17 -0.78 4.07 -1.26 -4.51 120.64 116.88 1wyg n GLU 262 Ca 0.05 0.08 0.04 0.00 -0.06 0.00 0.00 57.16 57.27 1wyg n GLU 262 Cb 0.09 -0.86 0.33 0.00 -0.06 0.00 0.00 31.44 30.93 1wyg n GLU 262 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1wyg h ILE 263 N -0.39 1.09 -0.61 6.31 1.08 -1.95 -1.83 117.51 121.21 1wyg h ILE 263 Ca -0.03 -0.28 0.06 0.00 -0.39 0.00 0.00 64.86 64.22 1wyg h ILE 263 Cb 0.48 0.20 -0.05 0.00 -3.07 0.00 0.00 36.82 34.38 1wyg h ILE 263 CO -0.02 0.15 0.31 1.23 -0.69 0.00 0.00 178.15 179.13 1wyg h GLY 264 N 0.82 0.87 1.35 5.37 0.00 0.20 -1.03 103.07 110.65 1wyg h GLY 264 Ca 0.28 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.31 1wyg h GLY 264 CO -0.08 0.11 -0.11 -2.22 0.00 0.00 0.00 176.54 174.25 1wyg h ILE 265 N 0.58 1.26 -0.19 2.60 1.08 -1.52 -1.59 117.51 119.72 1wyg h ILE 265 Ca 0.28 -1.16 -0.02 0.00 -0.39 0.00 0.00 64.86 63.57 1wyg h ILE 265 Cb 0.20 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 1wyg h ILE 265 CO -0.19 0.39 0.05 -0.33 -0.69 0.00 0.00 178.15 177.39 1wyg h GLU 266 N 0.70 0.30 0.10 2.37 5.08 -0.84 0.18 114.58 122.47 1wyg h GLU 266 Ca 0.12 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1wyg h GLU 266 Cb 0.58 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1wyg h GLU 266 CO 0.04 0.42 -0.05 0.52 -1.00 0.00 0.00 179.01 178.94 1wyg h MET 267 N 0.13 -0.12 -0.16 2.33 2.86 -1.16 -0.66 114.93 118.15 1wyg h MET 267 Ca 0.06 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1wyg h MET 267 Cb 0.24 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1wyg h MET 267 CO -0.00 0.13 -0.02 -0.22 1.06 0.00 0.00 176.91 177.85 1wyg h LYS 268 N -0.37 0.29 0.00 1.72 1.63 -1.29 -3.01 116.57 115.54 1wyg h LYS 268 Ca -0.01 -0.10 -0.37 0.00 -0.85 0.00 0.00 60.65 59.31 1wyg h LYS 268 Cb 0.31 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 31.85 1wyg h LYS 268 CO 0.02 0.55 -2.38 1.19 -3.45 0.00 0.00 179.45 175.38 1wyg n PHE 269 N -4.71 0.04 -0.25 1.91 3.01 0.64 -4.29 117.46 113.81 1wyg n PHE 269 Ca -0.05 0.01 0.07 0.00 1.01 0.00 0.00 57.45 58.49 1wyg n PHE 269 Cb 0.24 -1.01 0.30 0.00 -0.01 0.00 0.00 39.48 39.01 1wyg n PHE 269 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1wyg n LYS 270 N -2.85 3.37 -4.12 -1.08 5.02 -0.30 -4.93 118.16 113.27 1wyg n LYS 270 Ca -0.35 -2.37 -0.30 0.00 -2.02 0.00 0.00 58.31 53.28 1wyg n LYS 270 Cb 1.13 -1.83 -0.04 0.00 -0.02 0.00 0.00 35.03 34.26 1wyg n LYS 270 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wyg n ASN 271 N 0.84 -0.71 -4.95 4.39 3.02 -1.05 -4.91 115.26 111.88 1wyg n ASN 271 Ca 0.21 -1.08 -0.23 0.00 -0.03 0.00 0.00 54.58 53.46 1wyg n ASN 271 Cb 0.79 -2.61 -0.01 0.00 -0.61 0.00 0.00 39.78 37.34 1wyg n ASN 271 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1wyg s MET 272 N -6.85 3.35 -0.28 3.52 -1.94 -0.92 -4.99 119.30 111.21 1wyg s MET 272 Ca 0.19 -0.47 0.01 0.00 -1.71 0.00 0.00 55.69 53.71 1wyg s MET 272 Cb -0.11 -2.67 0.16 0.00 2.01 0.00 0.00 34.83 34.22 1wyg s MET 272 CO 0.93 0.07 0.42 -1.17 -0.01 0.00 0.00 175.02 175.26 1wyg s LEU 273 N -4.33 -0.80 -0.54 -0.03 2.96 -1.26 -4.35 118.68 110.34 1wyg s LEU 273 Ca 0.42 -0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 54.00 1wyg s LEU 273 Cb -0.10 1.19 0.09 0.00 0.50 0.00 0.00 46.19 47.87 1wyg s LEU 273 CO 0.35 -0.33 0.59 -0.36 -1.32 0.00 0.00 176.35 175.28 1wyg s PHE 274 N 2.57 3.10 -1.06 5.38 0.40 -1.26 -4.92 117.98 122.18 1wyg s PHE 274 Ca 0.11 -0.88 0.00 0.00 -0.60 0.00 0.00 56.93 55.56 1wyg s PHE 274 Cb -0.13 -3.69 0.00 0.00 0.51 0.00 0.00 43.02 39.71 1wyg s PHE 274 CO -0.26 -1.08 0.89 -0.35 0.70 0.00 0.00 175.22 175.12 1wyg n PRO 275 N 5.91 0.00 -3.42 0.24 -0.04 -1.26 -4.11 135.00 132.31 1wyg n PRO 275 Ca -0.10 0.39 -0.22 0.00 -0.04 0.00 0.00 63.50 63.54 1wyg n PRO 275 Cb 0.43 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 1wyg n PRO 275 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1wyg s LEU 276 N -2.78 0.26 0.50 1.53 2.96 -1.26 -1.45 118.68 118.44 1wyg s LEU 276 Ca 0.00 -1.50 -0.01 0.00 -0.22 0.00 0.00 54.13 52.40 1wyg s LEU 276 Cb 0.00 0.16 0.01 0.00 0.50 0.00 0.00 46.19 46.86 1wyg s LEU 276 CO 0.00 -0.33 0.74 -0.63 -1.32 0.00 0.00 176.35 174.81 1wyg s ILE 277 N 1.66 3.61 -0.29 6.68 -1.09 0.28 -0.60 121.20 131.45 1wyg s ILE 277 Ca 0.14 -0.43 -0.02 0.00 -2.23 0.00 0.00 60.65 58.10 1wyg s ILE 277 Cb -0.17 -3.36 0.18 0.00 -1.58 0.00 0.00 42.46 37.52 1wyg s ILE 277 CO -0.14 -0.28 0.59 0.54 -1.23 0.00 0.00 174.94 174.41 1wyg s VAL 278 N -2.70 -0.96 -0.25 2.92 0.11 -0.49 -2.40 120.40 116.64 1wyg s VAL 278 Ca 0.52 -0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.45 1wyg s VAL 278 Cb -0.10 -0.98 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 1wyg s VAL 278 CO 0.39 -0.01 0.21 0.00 -3.33 0.00 0.00 175.10 172.36 1wyg n PRO 280 N 4.53 2.86 0.17 0.00 -0.04 -1.24 -1.90 135.00 139.38 1wyg n PRO 280 Ca -0.14 -2.28 0.15 0.00 -0.04 0.00 0.00 63.50 61.20 1wyg n PRO 280 Cb 0.52 -1.39 0.53 0.00 -0.04 0.00 0.00 33.50 33.12 1wyg n PRO 280 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wyg h ALA 281 N 2.74 1.99 0.16 0.55 0.00 -1.86 -1.21 119.26 121.63 1wyg h ALA 281 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1wyg h ALA 281 Cb 0.85 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.69 1wyg h ALA 281 CO 0.01 -0.84 -1.00 -1.49 0.00 0.00 0.00 179.25 175.93 1wyg h TRP 282 N 0.00 0.70 -1.26 0.00 6.55 -1.84 -3.46 115.95 116.63 1wyg h TRP 282 Ca 0.14 -0.50 -0.80 0.00 0.95 0.00 0.00 58.89 58.68 1wyg h TRP 282 Cb 1.51 -0.03 0.02 0.00 -0.86 0.00 0.00 29.16 29.80 1wyg h TRP 282 CO 0.00 1.38 0.67 -0.89 -1.05 0.00 0.00 178.44 178.55 1wyg n ILE 283 N -4.00 0.11 -0.05 1.49 5.41 -0.46 -4.87 119.36 116.99 1wyg n ILE 283 Ca -0.14 -0.02 -0.08 0.00 1.00 0.00 0.00 62.75 63.50 1wyg n ILE 283 Cb 0.90 -0.73 -0.02 0.00 -0.71 0.00 0.00 39.64 39.08 1wyg n ILE 283 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1wyg h PRO 284 N 5.52 0.13 -0.69 0.38 0.11 -1.89 -3.15 132.00 132.42 1wyg h PRO 284 Ca -0.46 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.73 1wyg h PRO 284 Cb 1.36 -0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.32 1wyg h PRO 284 CO 0.91 0.08 -0.47 0.93 -0.21 0.00 0.00 178.00 179.25 1wyg h GLU 285 N 0.13 -0.17 -0.14 1.05 3.07 -1.97 0.37 114.58 116.92 1wyg h GLU 285 Ca 0.10 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1wyg h GLU 285 Cb 0.10 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1wyg h GLU 285 CO -0.14 -0.11 0.00 1.28 -1.40 0.00 0.00 179.01 178.64 1wyg n LEU 286 N -5.39 0.14 0.00 1.33 4.77 -1.19 -2.48 117.00 114.19 1wyg n LEU 286 Ca 0.02 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1wyg n LEU 286 Cb 0.34 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1wyg n LEU 286 CO -0.05 0.03 0.02 0.59 -1.33 0.00 0.00 177.39 176.65 1wyg n ASN 287 N -0.19 0.07 -4.77 -1.43 3.02 0.13 -1.06 115.26 111.02 1wyg n ASN 287 Ca 0.00 -0.34 -0.34 0.00 -0.03 0.00 0.00 54.58 53.86 1wyg n ASN 287 Cb 0.03 0.37 0.02 0.00 -0.61 0.00 0.00 39.78 39.60 1wyg n ASN 287 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wyg s SER 288 N -0.37 5.40 -0.41 6.41 1.04 -0.92 -4.63 113.70 120.20 1wyg s SER 288 Ca 0.00 2.13 0.02 0.00 0.48 0.00 0.00 55.95 58.58 1wyg s SER 288 Cb 0.00 -2.57 0.12 0.00 0.10 0.00 0.00 66.02 63.67 1wyg s SER 288 CO 0.00 -1.44 0.19 -0.69 0.98 0.00 0.00 173.24 172.28 1wyg s VAL 289 N -1.99 1.62 -0.24 5.02 1.01 -1.26 -1.42 120.40 123.13 1wyg s VAL 289 Ca 0.71 -2.42 -0.10 0.00 0.00 0.00 0.00 61.98 60.17 1wyg s VAL 289 Cb -0.23 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1wyg s VAL 289 CO 0.34 -0.79 0.14 0.68 0.00 0.00 0.00 175.10 175.47 1wyg s VAL 290 N 0.58 5.14 -0.74 2.92 -7.23 -0.22 -4.92 120.40 115.92 1wyg s VAL 290 Ca 0.15 0.11 -0.26 0.00 -1.81 0.00 0.00 61.98 60.17 1wyg s VAL 290 Cb -0.23 -3.40 0.04 0.00 0.56 0.00 0.00 36.38 33.36 1wyg s VAL 290 CO -0.06 0.34 1.22 -1.00 -0.31 0.00 0.00 175.10 175.30 1wyg s HIS 291 N 1.17 2.39 0.66 2.82 3.76 -1.26 -0.82 115.29 124.00 1wyg s HIS 291 Ca 0.07 -0.22 0.03 0.00 -0.15 0.00 0.00 55.06 54.79 1wyg s HIS 291 Cb -0.14 -4.56 0.12 0.00 1.11 0.00 0.00 32.58 29.11 1wyg s HIS 291 CO 0.05 -1.98 0.91 0.41 -0.85 0.00 0.00 174.74 173.28 1wyg n GLY 292 N 5.46 1.13 0.08 -2.22 0.00 0.66 -5.00 105.19 105.31 1wyg n GLY 292 Ca 0.04 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 1wyg n GLY 292 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyg h PRO 293 N 0.00 0.12 -0.22 1.61 0.13 -2.03 -3.21 132.00 128.41 1wyg h PRO 293 Ca -0.30 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.69 1wyg h PRO 293 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1wyg h PRO 293 CO 0.36 0.55 -0.18 0.93 -0.23 0.00 0.00 178.00 179.43 1wyg h GLU 294 N -0.31 0.37 0.00 0.86 4.39 -1.97 -3.47 114.58 114.46 1wyg h GLU 294 Ca 0.01 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1wyg h GLU 294 Cb 0.53 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1wyg h GLU 294 CO 0.01 0.55 0.00 0.41 -1.16 0.00 0.00 179.01 178.82 1wyg n GLY 295 N -0.62 -0.94 3.69 -3.84 0.00 -1.21 -0.57 105.19 101.70 1wyg n GLY 295 Ca -0.00 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 1wyg n GLY 295 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wyg s ILE 296 N -3.00 5.25 -0.22 -0.61 1.01 -0.93 -0.24 121.20 122.47 1wyg s ILE 296 Ca 0.00 0.62 -0.09 0.00 0.00 0.00 0.00 60.65 61.18 1wyg s ILE 296 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1wyg s ILE 296 CO 0.00 0.31 0.11 -0.44 0.00 0.00 0.00 174.94 174.93 1wyg s SER 297 N 0.81 5.84 -0.03 3.58 0.01 -0.00 -0.29 113.70 123.62 1wyg s SER 297 Ca 0.18 0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.55 1wyg s SER 297 Cb -0.14 -2.03 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 1wyg s SER 297 CO 0.06 0.11 -0.12 -0.36 0.41 0.00 0.00 173.24 173.33 1wyg s PHE 298 N 0.80 2.75 0.63 2.43 0.40 0.90 -1.06 117.98 124.83 1wyg s PHE 298 Ca 0.06 -0.12 -0.17 0.00 -0.60 0.00 0.00 56.93 56.10 1wyg s PHE 298 Cb -0.13 -1.62 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 1wyg s PHE 298 CO 0.02 0.25 1.14 0.20 0.70 0.00 0.00 175.22 177.53 1wyg s GLY 299 N -0.95 2.39 0.62 4.36 0.00 -0.51 -0.51 107.32 112.72 1wyg s GLY 299 Ca 0.13 0.74 0.35 0.00 0.00 0.00 0.00 44.72 45.93 1wyg s GLY 299 CO 0.02 1.10 2.07 0.00 0.00 0.00 0.00 173.10 176.29 1wyg h ALA 300 N 0.42 1.14 -0.02 3.20 0.00 -0.89 -1.96 119.26 121.15 1wyg h ALA 300 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1wyg h ALA 300 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wyg h ALA 300 CO 0.54 -0.14 -0.10 0.43 0.00 0.00 0.00 179.25 179.98 1wyg n SER 301 N -2.87 2.40 -4.71 0.00 7.64 -0.22 -0.94 113.62 114.92 1wyg n SER 301 Ca -0.02 -1.74 -0.43 0.00 1.01 0.00 0.00 58.87 57.68 1wyg n SER 301 Cb 0.20 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.47 1wyg n SER 301 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wyg s PRO 303 N 0.64 4.07 0.63 0.00 0.02 -1.26 -1.72 135.00 137.37 1wyg s PRO 303 Ca 0.73 2.26 0.35 0.00 0.02 0.00 0.00 61.00 64.36 1wyg s PRO 303 Cb -0.56 -2.86 1.99 0.00 0.02 0.00 0.00 34.50 33.09 1wyg s PRO 303 CO 0.38 -0.45 2.22 -0.07 -0.33 0.00 0.00 177.00 178.76 1wyg h LEU 304 N 2.88 0.00 -0.47 -5.54 3.38 -0.27 0.47 115.31 115.77 1wyg h LEU 304 Ca -0.50 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 1wyg h LEU 304 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1wyg h LEU 304 CO 0.63 0.00 -0.46 0.77 0.09 0.00 0.00 178.44 179.48 1wyg h SER 305 N 0.00 0.00 0.25 -0.43 4.64 -1.33 -0.12 113.55 116.56 1wyg h SER 305 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1wyg h SER 305 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1wyg h SER 305 CO -0.00 0.46 -0.12 0.25 -0.87 0.00 0.00 176.83 176.55 1wyg h LEU 306 N 0.00 -0.29 -0.58 5.97 6.46 -0.34 -1.91 115.31 124.62 1wyg h LEU 306 Ca -0.00 -0.18 0.12 0.00 -0.12 0.00 0.00 57.88 57.69 1wyg h LEU 306 Cb 1.16 0.07 -0.11 0.00 -0.73 0.00 0.00 40.66 41.05 1wyg h LEU 306 CO 0.06 0.21 -0.16 0.58 -0.62 0.00 0.00 178.44 178.51 1wyg h VAL 307 N -0.99 0.39 -0.01 1.05 2.07 -1.39 0.21 116.25 117.58 1wyg h VAL 307 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1wyg h VAL 307 Cb 0.45 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1wyg h VAL 307 CO 0.06 0.00 -0.29 -0.08 0.02 0.00 0.00 177.57 177.28 1wyg h GLU 308 N -0.02 -0.42 -0.68 1.57 4.81 -1.03 0.10 114.58 118.91 1wyg h GLU 308 Ca 0.28 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 1wyg h GLU 308 Cb 0.44 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1wyg h GLU 308 CO -0.61 -0.28 0.16 0.66 -0.73 0.00 0.00 179.01 178.22 1wyg h SER 309 N -0.43 1.02 -0.19 1.04 4.64 -0.39 -1.05 113.55 118.17 1wyg h SER 309 Ca 0.06 -0.21 -0.07 0.00 -0.47 0.00 0.00 61.79 61.11 1wyg h SER 309 Cb 0.52 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1wyg h SER 309 CO -0.25 0.98 -0.14 1.62 -0.87 0.00 0.00 176.83 178.16 1wyg h VAL 310 N 1.02 1.32 -0.35 0.95 3.04 -0.39 -2.94 116.25 118.90 1wyg h VAL 310 Ca 0.21 -1.26 -0.01 0.00 -1.01 0.00 0.00 66.70 64.63 1wyg h VAL 310 Cb 0.36 1.72 -0.02 0.00 -2.01 0.00 0.00 31.29 31.35 1wyg h VAL 310 CO 0.00 0.38 0.17 -0.07 -1.01 0.00 0.00 177.57 177.04 1wyg h LEU 311 N 0.11 0.47 -1.98 3.16 3.38 -0.92 -2.18 115.31 117.35 1wyg h LEU 311 Ca 0.04 -0.13 0.26 0.00 0.09 0.00 0.00 57.88 58.14 1wyg h LEU 311 Cb 0.66 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1wyg h LEU 311 CO 0.04 0.47 0.67 0.00 0.09 0.00 0.00 178.44 179.71 1wyg h ALA 312 N 1.02 2.85 0.04 1.53 0.00 -1.18 0.69 119.26 124.21 1wyg h ALA 312 Ca 0.12 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 1wyg h ALA 312 Cb 0.13 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1wyg h ALA 312 CO -0.01 -1.14 -1.02 0.93 0.00 0.00 0.00 179.25 178.00 1wyg h GLU 313 N 0.00 0.17 0.03 0.00 5.08 -1.22 -3.29 114.58 115.36 1wyg h GLU 313 Ca 0.43 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1wyg h GLU 313 Cb 1.78 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1wyg h GLU 313 CO -0.00 1.05 -0.01 0.93 -1.00 0.00 0.00 179.01 179.97 1wyg h GLU 314 N 0.07 -0.04 0.00 2.33 4.39 0.58 -2.71 114.58 119.19 1wyg h GLU 314 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1wyg h GLU 314 Cb 1.72 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 1wyg h GLU 314 CO 0.16 0.37 0.00 0.44 -1.16 0.00 0.00 179.01 178.81 1wyg n ILE 315 N -4.91 0.00 0.05 3.13 -0.00 -0.33 -1.49 119.36 115.81 1wyg n ILE 315 Ca -0.08 0.00 0.01 0.00 -0.00 0.00 0.00 62.75 62.67 1wyg n ILE 315 Cb 0.22 -0.39 -0.01 0.00 -0.00 0.00 0.00 39.64 39.46 1wyg n ILE 315 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1wyg n ALA 316 N -0.55 2.15 0.00 -1.28 0.00 -1.04 -4.74 120.51 115.06 1wyg n ALA 316 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1wyg n ALA 316 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1wyg n ALA 316 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wyg n LYS 317 N -1.14 4.39 -3.93 0.00 2.85 -0.65 -5.06 118.16 114.61 1wyg n LYS 317 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 1wyg n LYS 317 Cb 0.02 -0.53 -0.02 0.00 -0.65 0.00 0.00 35.03 33.85 1wyg n LYS 317 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1wyg s LEU 318 N -1.80 4.11 0.23 -5.58 1.02 -0.55 -5.07 118.68 111.04 1wyg s LEU 318 Ca 0.00 -0.08 -0.31 0.00 0.02 0.00 0.00 54.13 53.77 1wyg s LEU 318 Cb 0.00 -2.68 -0.11 0.00 0.02 0.00 0.00 46.19 43.42 1wyg s LEU 318 CO 0.00 -0.13 1.56 -2.84 0.02 0.00 0.00 176.35 174.96 1wyg s PRO 319 N -3.97 4.19 0.49 1.29 0.02 -1.26 -4.83 135.00 130.93 1wyg s PRO 319 Ca 0.36 2.43 0.14 0.00 0.02 0.00 0.00 61.00 63.95 1wyg s PRO 319 Cb -0.09 -3.10 0.76 0.00 0.02 0.00 0.00 34.50 32.10 1wyg s PRO 319 CO 0.28 -0.58 1.35 1.49 -0.33 0.00 0.00 177.00 179.22 1wyg h GLU 320 N 5.80 0.00 0.00 5.54 4.81 -1.97 0.41 114.58 129.17 1wyg h GLU 320 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1wyg h GLU 320 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1wyg h GLU 320 CO 0.85 0.00 -0.24 0.37 -0.73 0.00 0.00 179.01 179.26 1wyg h GLN 321 N 0.00 0.00 -0.00 1.92 5.75 -1.91 -3.27 115.11 117.61 1wyg h GLN 321 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1wyg h GLN 321 Cb 1.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.57 1wyg h GLN 321 CO 0.00 0.00 -0.82 1.63 -2.65 0.00 0.00 178.83 176.99 1wyg n LYS 322 N -2.28 0.30 -0.71 1.69 5.02 0.14 -4.28 118.16 118.04 1wyg n LYS 322 Ca 0.05 -0.24 -0.01 0.00 -2.02 0.00 0.00 58.31 56.08 1wyg n LYS 322 Cb 0.44 -1.49 0.23 0.00 -0.02 0.00 0.00 35.03 34.18 1wyg n LYS 322 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wyg n THR 323 N -1.14 2.52 -0.09 -0.18 -2.24 -1.21 -1.50 114.28 110.43 1wyg n THR 323 Ca 0.06 -2.31 -0.11 0.00 -2.27 0.00 0.00 64.05 59.42 1wyg n THR 323 Cb 0.36 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1wyg n THR 323 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1wyg h GLU 324 N 1.37 0.47 -0.26 -0.78 4.39 -1.78 -1.17 114.58 116.82 1wyg h GLU 324 Ca 0.17 -0.13 -0.16 0.00 0.34 0.00 0.00 59.36 59.58 1wyg h GLU 324 Cb 1.70 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 30.29 1wyg h GLU 324 CO 0.39 0.59 -0.46 0.28 -1.16 0.00 0.00 179.01 178.65 1wyg h VAL 325 N 0.29 1.29 -0.21 3.13 2.07 -1.84 -2.51 116.25 118.47 1wyg h VAL 325 Ca 0.09 -1.65 0.05 0.00 0.82 0.00 0.00 66.70 66.00 1wyg h VAL 325 Cb 0.34 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1wyg h VAL 325 CO 0.01 0.53 -0.08 -0.26 0.02 0.00 0.00 177.57 177.79 1wyg h PHE 326 N 0.53 -0.17 0.00 1.57 0.04 -1.79 0.18 116.94 117.29 1wyg h PHE 326 Ca 0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1wyg h PHE 326 Cb 1.06 0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1wyg h PHE 326 CO 0.08 -0.12 0.00 0.00 -0.60 0.00 0.00 178.31 177.67 1wyg h ARG 327 N -0.04 0.00 0.07 1.51 3.08 -1.17 -0.95 114.38 116.88 1wyg h ARG 327 Ca 0.11 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 1wyg h ARG 327 Cb 0.20 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.27 1wyg h ARG 327 CO -0.24 0.00 -0.68 0.78 -1.07 0.00 0.00 179.97 178.76 1wyg h GLY 328 N 1.10 0.38 0.98 0.04 0.00 -0.24 -2.63 103.07 102.71 1wyg h GLY 328 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 1wyg h GLY 328 CO 0.00 0.71 -0.15 -2.08 0.00 0.00 0.00 176.54 175.02 1wyg h VAL 329 N -0.26 0.70 -1.00 4.60 2.07 -0.34 -2.78 116.25 119.23 1wyg h VAL 329 Ca -0.10 -0.06 0.20 0.00 0.82 0.00 0.00 66.70 67.56 1wyg h VAL 329 Cb 1.45 0.73 -0.11 0.00 -1.52 0.00 0.00 31.29 31.85 1wyg h VAL 329 CO 0.13 0.01 0.61 0.24 0.02 0.00 0.00 177.57 178.59 1wyg h MET 330 N -0.45 0.68 -0.44 1.57 2.07 -1.29 0.26 114.93 117.33 1wyg h MET 330 Ca -0.04 -0.04 -0.08 0.00 -2.07 0.00 0.00 59.70 57.47 1wyg h MET 330 Cb 0.35 -0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 29.90 1wyg h MET 330 CO 0.07 0.45 -0.04 1.49 1.07 0.00 0.00 176.91 179.95 1wyg h GLU 331 N 0.70 0.73 0.16 1.72 4.57 -1.20 -1.83 114.58 119.44 1wyg h GLU 331 Ca 0.59 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.55 1wyg h GLU 331 Cb 1.00 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1wyg h GLU 331 CO -0.38 0.77 -0.08 1.96 -1.18 0.00 0.00 179.01 180.11 1wyg h GLN 332 N 0.68 -0.21 -0.21 1.92 1.08 -0.75 -2.96 115.11 114.65 1wyg h GLN 332 Ca 0.13 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.40 1wyg h GLN 332 Cb 0.48 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1wyg h GLN 332 CO 0.02 0.16 0.34 -0.07 -0.95 0.00 0.00 178.83 178.34 1wyg h LEU 333 N -0.63 0.00 -2.29 1.46 3.38 -1.08 0.32 115.31 116.48 1wyg h LEU 333 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wyg h LEU 333 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1wyg h LEU 333 CO 0.04 0.00 -0.01 0.03 0.09 0.00 0.00 178.44 178.59 1wyg h ARG 334 N 0.00 0.00 -0.23 1.13 3.08 -1.16 -2.23 114.38 114.97 1wyg h ARG 334 Ca 0.10 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 1wyg h ARG 334 Cb 0.79 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.62 1wyg h ARG 334 CO -0.00 0.01 -0.74 0.91 -1.07 0.00 0.00 179.97 179.08 1wyg n TRP 335 N -4.08 0.82 -3.50 3.04 7.02 0.09 -4.95 117.44 115.88 1wyg n TRP 335 Ca -0.03 -1.56 -0.42 0.00 -1.02 0.00 0.00 57.50 54.46 1wyg n TRP 335 Cb 0.09 -0.25 -0.06 0.00 -2.42 0.00 0.00 31.31 28.66 1wyg n TRP 335 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 1wyg s PHE 336 N -2.80 3.50 0.00 -5.99 5.99 -0.84 -4.41 117.98 113.43 1wyg s PHE 336 Ca 0.40 -2.03 0.00 0.00 0.00 0.00 0.00 56.93 55.29 1wyg s PHE 336 Cb 0.38 -3.56 0.00 0.00 0.00 0.00 0.00 43.02 39.84 1wyg s PHE 336 CO -0.06 -0.96 0.00 0.00 -0.00 0.00 0.00 175.22 174.20 1wyg n ALA 337 N 4.36 0.00 -3.00 11.12 0.00 -1.26 -4.74 120.51 126.99 1wyg n ALA 337 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1wyg n ALA 337 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1wyg n ALA 337 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wyg n GLY 338 N 0.00 3.07 0.24 0.00 0.00 -1.26 -3.61 105.19 103.63 1wyg n GLY 338 Ca 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 46.02 44.64 1wyg n GLY 338 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wyg h LYS 339 N 0.00 0.62 -0.60 1.61 1.79 -1.81 -2.16 116.57 116.03 1wyg h LYS 339 Ca 0.00 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1wyg h LYS 339 Cb 0.00 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.47 1wyg h LYS 339 CO 0.00 0.41 0.37 1.96 -1.08 0.00 0.00 179.45 181.11 1wyg h GLN 340 N 0.64 0.71 -0.00 3.15 7.50 -1.90 -2.50 115.11 122.72 1wyg h GLN 340 Ca 0.26 -0.04 -0.12 0.00 0.50 0.00 0.00 58.65 59.25 1wyg h GLN 340 Cb 0.12 -0.16 0.01 0.00 0.05 0.00 0.00 27.48 27.50 1wyg h GLN 340 CO -0.15 0.47 -0.45 0.28 -1.50 0.00 0.00 178.83 177.47 1wyg h VAL 341 N 0.73 1.48 0.00 -0.54 2.07 -1.86 -3.28 116.25 114.85 1wyg h VAL 341 Ca 0.24 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.74 1wyg h VAL 341 Cb 0.00 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1wyg h VAL 341 CO -0.09 0.57 0.00 0.11 0.02 0.00 0.00 177.57 178.18 1wyg h LYS 342 N -0.27 0.00 0.00 1.57 1.57 -1.38 0.15 116.57 118.22 1wyg h LYS 342 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1wyg h LYS 342 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1wyg h LYS 342 CO 0.09 0.00 0.00 0.77 -0.57 0.00 0.00 179.45 179.74 1wyg h SER 343 N 0.00 0.00 0.00 0.86 0.02 -1.50 -0.39 113.55 112.53 1wyg h SER 343 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wyg h SER 343 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1wyg h SER 343 CO 0.00 0.00 -0.71 1.33 -1.14 0.00 0.00 176.83 176.31 1wyg n VAL 344 N -3.07 0.00 -2.12 2.27 0.24 -0.89 -4.85 118.33 109.91 1wyg n VAL 344 Ca 0.03 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.90 1wyg n VAL 344 Cb 0.43 0.07 -0.03 0.00 -1.47 0.00 0.00 33.84 32.85 1wyg n VAL 344 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wyg s ALA 345 N -1.50 3.62 0.45 2.33 0.00 0.47 -3.18 121.76 123.96 1wyg s ALA 345 Ca 0.00 1.03 0.01 0.00 0.00 0.00 0.00 51.96 52.99 1wyg s ALA 345 Cb 0.00 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 1wyg s ALA 345 CO 0.00 -0.92 0.67 -1.54 0.00 0.00 0.00 175.76 173.97 1wyg s SER 346 N 1.89 5.80 0.00 0.00 1.04 -1.26 -0.08 113.70 121.09 1wyg s SER 346 Ca 0.67 0.25 -0.25 0.00 0.48 0.00 0.00 55.95 57.10 1wyg s SER 346 Cb -0.35 -1.47 -0.16 0.00 0.10 0.00 0.00 66.02 64.14 1wyg s SER 346 CO 0.29 -0.73 1.16 0.16 0.98 0.00 0.00 173.24 175.10 1wyg h ILE 347 N 0.39 0.51 -0.79 -1.02 3.07 -1.44 -2.96 117.51 115.27 1wyg h ILE 347 Ca -0.46 -0.56 0.23 0.00 1.55 0.00 0.00 64.86 65.63 1wyg h ILE 347 Cb 1.26 0.74 -0.03 0.00 -0.27 0.00 0.00 36.82 38.52 1wyg h ILE 347 CO 0.57 0.09 0.64 1.23 -1.05 0.00 0.00 178.15 179.63 1wyg h GLY 348 N -0.89 0.00 1.22 0.16 0.00 -1.32 0.25 103.07 102.49 1wyg h GLY 348 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.07 1wyg h GLY 348 CO 0.09 0.00 -0.69 -1.33 0.00 0.00 0.00 176.54 174.61 1wyg h GLY 349 N 0.00 0.86 1.26 4.60 0.00 -1.68 -1.30 103.07 106.80 1wyg h GLY 349 Ca 0.38 -1.13 -0.11 0.00 0.00 0.00 0.00 47.33 46.46 1wyg h GLY 349 CO -0.00 1.01 -0.17 -0.57 0.00 0.00 0.00 176.54 176.81 1wyg h ASN 350 N 0.56 0.87 0.58 0.19 -0.73 -0.40 -0.62 115.58 116.03 1wyg h ASN 350 Ca -0.03 -0.30 -0.03 0.00 1.87 0.00 0.00 56.30 57.82 1wyg h ASN 350 Cb 1.30 -0.24 0.01 0.00 0.27 0.00 0.00 38.32 39.66 1wyg h ASN 350 CO 0.14 1.03 -0.28 0.40 -0.37 0.00 0.00 177.43 178.35 1wyg h ILE 351 N 0.76 0.00 0.00 2.57 1.08 -1.12 -3.29 117.51 117.51 1wyg h ILE 351 Ca 0.11 -0.14 -0.03 0.00 -0.39 0.00 0.00 64.86 64.41 1wyg h ILE 351 Cb 0.69 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1wyg h ILE 351 CO 0.05 0.00 -0.16 0.40 -0.69 0.00 0.00 178.15 177.75 1wyg h ILE 352 N -0.92 0.93 -0.97 -0.67 1.08 -1.28 -2.14 117.51 113.53 1wyg h ILE 352 Ca -0.08 -0.58 0.17 0.00 -0.39 0.00 0.00 64.86 63.98 1wyg h ILE 352 Cb 0.59 1.33 -0.09 0.00 -3.07 0.00 0.00 36.82 35.58 1wyg h ILE 352 CO 0.13 0.15 0.61 0.74 -0.69 0.00 0.00 178.15 179.10 1wyg h THR 353 N 0.00 0.78 -5.01 -0.27 2.02 -1.17 -3.46 112.91 105.80 1wyg h THR 353 Ca -0.00 -0.26 -0.39 0.00 0.77 0.00 0.00 66.41 66.52 1wyg h THR 353 Cb 0.32 -0.05 0.10 0.00 -1.74 0.00 0.00 68.15 66.77 1wyg h THR 353 CO 0.02 0.14 -0.63 0.00 0.37 0.00 0.00 175.52 175.42 1wyg n ALA 354 N -2.38 -1.10 -2.21 6.16 0.00 -0.81 -4.76 120.51 115.40 1wyg n ALA 354 Ca 0.21 0.34 -0.42 0.00 0.00 0.00 0.00 53.44 53.57 1wyg n ALA 354 Cb 0.52 -4.59 -0.03 0.00 0.00 0.00 0.00 19.45 15.35 1wyg n ALA 354 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wyg s SER 355 N -3.00 7.07 0.54 0.00 0.15 -1.26 -3.86 113.70 113.35 1wyg s SER 355 Ca 0.43 2.14 0.27 0.00 0.70 0.00 0.00 55.95 59.49 1wyg s SER 355 Cb -0.19 -2.59 1.44 0.00 -1.71 0.00 0.00 66.02 62.97 1wyg s SER 355 CO 0.53 -0.42 1.97 1.55 1.20 0.00 0.00 173.24 178.07 1wyg h PRO 356 N 6.00 0.00 -0.65 5.44 0.13 -1.86 0.39 132.00 141.45 1wyg h PRO 356 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1wyg h PRO 356 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wyg h PRO 356 CO 0.78 0.00 0.00 0.44 -0.23 0.00 0.00 178.00 178.99 1wyg n ILE 357 N -4.24 1.88 -1.76 -3.56 -6.64 -1.26 -2.05 119.36 101.74 1wyg n ILE 357 Ca 0.10 -1.05 -0.40 0.00 -1.77 0.00 0.00 62.75 59.63 1wyg n ILE 357 Cb 0.65 -0.14 0.02 0.00 -1.44 0.00 0.00 39.64 38.73 1wyg n ILE 357 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 1wyg n SER 358 N 0.70 3.23 -1.02 7.28 2.88 0.13 -4.53 113.62 122.28 1wyg n SER 358 Ca 0.22 1.11 0.11 0.00 -1.33 0.00 0.00 58.87 58.98 1wyg n SER 358 Cb 0.89 -1.60 0.16 0.00 -0.75 0.00 0.00 64.21 62.91 1wyg n SER 358 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wyg n ASP 359 N -0.25 3.17 -0.03 -3.46 10.43 -1.26 -4.44 116.55 120.71 1wyg n ASP 359 Ca 0.06 -1.96 -0.04 0.00 2.57 0.00 0.00 54.79 55.42 1wyg n ASP 359 Cb 0.42 -0.14 -0.04 0.00 1.84 0.00 0.00 41.12 43.20 1wyg n ASP 359 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1wyg n LEU 360 N 1.35 1.97 -0.29 0.64 4.77 -1.26 -4.48 117.00 119.71 1wyg n LEU 360 Ca 0.16 -0.03 0.03 0.00 -0.03 0.00 0.00 56.01 56.15 1wyg n LEU 360 Cb 0.58 -0.12 0.17 0.00 -2.33 0.00 0.00 43.42 41.72 1wyg n LEU 360 CO 0.15 0.45 1.13 0.78 -1.33 0.00 0.00 177.39 178.57 1wyg h ASN 361 N 0.00 0.63 -0.06 -1.43 2.35 -1.90 0.27 115.58 115.44 1wyg h ASN 361 Ca -0.16 0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1wyg h ASN 361 Cb 1.28 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.56 1wyg h ASN 361 CO -0.01 0.35 -0.08 -0.65 -1.65 0.00 0.00 177.43 175.38 1wyg h PRO 362 N 0.74 -0.11 -0.53 0.81 0.11 -1.82 0.22 132.00 131.42 1wyg h PRO 362 Ca 0.40 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.48 1wyg h PRO 362 Cb 0.40 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 1wyg h PRO 362 CO -0.26 -0.07 0.18 0.28 -0.21 0.00 0.00 178.00 177.92 1wyg h VAL 363 N -0.11 1.20 -0.24 3.15 2.07 -1.56 -0.16 116.25 120.60 1wyg h VAL 363 Ca 0.05 -0.68 -0.19 0.00 0.82 0.00 0.00 66.70 66.70 1wyg h VAL 363 Cb 0.19 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1wyg h VAL 363 CO -0.13 0.26 -0.62 -0.26 0.02 0.00 0.00 177.57 176.84 1wyg h PHE 364 N 0.77 1.04 -0.00 1.57 0.04 0.04 -3.15 116.94 117.25 1wyg h PHE 364 Ca 0.18 -0.40 -0.00 0.00 2.80 0.00 0.00 57.97 60.55 1wyg h PHE 364 Cb 0.20 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.16 1wyg h PHE 364 CO 0.01 1.22 -0.00 1.98 -0.60 0.00 0.00 178.31 180.92 1wyg h MET 365 N 0.60 0.00 -0.45 1.51 4.05 -0.40 -0.96 114.93 119.28 1wyg h MET 365 Ca -0.01 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1wyg h MET 365 Cb 1.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 1wyg h MET 365 CO 0.13 0.46 0.00 0.00 0.23 0.00 0.00 176.91 177.74 1wyg n ALA 366 N -2.33 1.80 -1.39 0.39 0.00 -0.09 -1.24 120.51 117.65 1wyg n ALA 366 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1wyg n ALA 366 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1wyg n ALA 366 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wyg n SER 367 N 0.16 0.00 -3.44 0.00 3.41 -1.16 -4.19 113.62 108.40 1wyg n SER 367 Ca 0.00 -1.00 -0.14 0.00 -0.26 0.00 0.00 58.87 57.47 1wyg n SER 367 Cb 0.11 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.07 1wyg n SER 367 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyg n GLY 368 N 0.00 -1.24 3.73 5.00 0.00 -0.37 -4.82 105.19 107.49 1wyg n GLY 368 Ca 0.00 0.52 -0.41 0.00 0.00 0.00 0.00 46.02 46.13 1wyg n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyg s ALA 369 N -3.07 3.29 -0.42 4.61 0.00 -0.42 -4.74 121.76 121.02 1wyg s ALA 369 Ca 0.07 0.69 -0.24 0.00 0.00 0.00 0.00 51.96 52.48 1wyg s ALA 369 Cb -0.02 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1wyg s ALA 369 CO 0.82 -0.18 0.85 0.21 0.00 0.00 0.00 175.76 177.46 1wyg s LYS 370 N 0.22 3.61 -0.18 0.00 2.20 -1.20 -1.90 119.74 122.50 1wyg s LYS 370 Ca 0.50 0.20 -0.08 0.00 -0.36 0.00 0.00 55.97 56.24 1wyg s LYS 370 Cb -0.26 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.14 1wyg s LYS 370 CO 0.31 -1.05 0.07 -0.51 -0.36 0.00 0.00 175.35 173.81 1wyg s LEU 371 N 3.42 3.87 -0.03 5.43 1.43 0.19 -1.66 118.68 131.33 1wyg s LEU 371 Ca 0.34 0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 53.45 1wyg s LEU 371 Cb -0.12 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 1wyg s LEU 371 CO 0.22 0.19 0.28 -0.89 0.23 0.00 0.00 176.35 176.37 1wyg s THR 372 N 0.31 5.27 -0.20 5.49 2.01 -0.89 -1.37 115.64 126.26 1wyg s THR 372 Ca 0.04 0.42 -0.01 0.00 0.31 0.00 0.00 61.69 62.45 1wyg s THR 372 Cb -0.12 -3.56 0.06 0.00 0.01 0.00 0.00 72.50 68.88 1wyg s THR 372 CO -0.00 0.51 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.68 1wyg s LEU 373 N -1.31 1.63 0.25 4.42 1.43 -0.53 -1.62 118.68 122.96 1wyg s LEU 373 Ca 0.23 -0.87 0.07 0.00 -1.03 0.00 0.00 54.13 52.52 1wyg s LEU 373 Cb -0.14 -0.81 -0.03 0.00 0.03 0.00 0.00 46.19 45.23 1wyg s LEU 373 CO 0.11 -0.26 0.23 0.68 0.23 0.00 0.00 176.35 177.34 1wyg s VAL 374 N 1.69 4.57 -0.10 -1.59 -7.23 -1.06 -1.51 120.40 115.17 1wyg s VAL 374 Ca -0.02 -1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 58.52 1wyg s VAL 374 Cb -0.17 -3.48 0.09 0.00 0.56 0.00 0.00 36.38 33.38 1wyg s VAL 374 CO -0.07 -0.34 0.79 -0.55 -0.31 0.00 0.00 175.10 174.62 1wyg s SER 375 N -3.87 -0.57 -0.50 4.85 0.15 -0.77 -1.43 113.70 111.56 1wyg s SER 375 Ca 0.33 0.66 -0.36 0.00 0.70 0.00 0.00 55.95 57.29 1wyg s SER 375 Cb -0.08 0.52 -0.15 0.00 -1.71 0.00 0.00 66.02 64.61 1wyg s SER 375 CO 0.26 -0.49 2.28 -1.14 1.20 0.00 0.00 173.24 175.34 1wyg n ARG 376 N 0.99 0.62 0.00 5.44 0.63 -1.26 0.07 116.66 123.14 1wyg n ARG 376 Ca -0.16 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1wyg n ARG 376 Cb 0.57 -2.14 0.00 0.00 0.45 0.00 0.00 32.46 31.34 1wyg n ARG 376 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wyg n GLY 377 N 6.75 2.73 3.90 5.14 0.00 -1.26 -5.03 105.19 117.43 1wyg n GLY 377 Ca 0.48 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 1wyg n GLY 377 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wyg s THR 378 N -0.49 4.89 -0.30 2.61 -4.23 0.11 -5.09 115.64 113.14 1wyg s THR 378 Ca 0.00 0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.69 1wyg s THR 378 Cb 0.00 -3.82 0.17 0.00 1.34 0.00 0.00 72.50 70.20 1wyg s THR 378 CO 0.00 -0.70 0.90 -0.60 -0.54 0.00 0.00 174.62 173.68 1wyg s ARG 379 N -4.37 0.33 0.42 3.99 3.52 -1.26 -1.84 118.95 119.75 1wyg s ARG 379 Ca 0.48 0.69 0.04 0.00 -0.13 0.00 0.00 55.73 56.81 1wyg s ARG 379 Cb -0.10 0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 33.66 1wyg s ARG 379 CO 0.39 -0.27 0.14 -0.98 -0.81 0.00 0.00 175.30 173.77 1wyg s ARG 380 N 2.77 1.97 -0.02 5.12 1.70 -0.57 -5.00 118.95 124.92 1wyg s ARG 380 Ca 0.03 -2.21 -0.07 0.00 -0.47 0.00 0.00 55.73 53.01 1wyg s ARG 380 Cb -0.10 -0.60 0.01 0.00 -0.57 0.00 0.00 34.95 33.69 1wyg s ARG 380 CO -0.16 -0.51 0.15 0.99 -1.08 0.00 0.00 175.30 174.69 1wyg s THR 381 N -3.18 0.06 0.24 4.99 2.01 -1.26 -1.45 115.64 117.04 1wyg s THR 381 Ca 0.22 -0.49 -0.08 0.00 0.31 0.00 0.00 61.69 61.65 1wyg s THR 381 Cb 0.02 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1wyg s THR 381 CO 0.15 -0.27 0.37 0.68 -0.69 0.00 0.00 174.62 174.85 1wyg s VAL 382 N -0.95 0.00 -0.02 3.82 -7.23 -0.47 -5.00 120.40 110.55 1wyg s VAL 382 Ca -0.10 -1.61 0.06 0.00 -1.81 0.00 0.00 61.98 58.52 1wyg s VAL 382 Cb -0.06 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 1wyg s VAL 382 CO 0.01 0.00 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.47 1wyg s ARG 383 N -4.00 2.22 0.09 4.82 1.81 -1.26 -0.64 118.95 121.99 1wyg s ARG 383 Ca 0.28 -0.87 -0.31 0.00 -1.72 0.00 0.00 55.73 53.12 1wyg s ARG 383 Cb 0.02 -2.18 -0.07 0.00 -0.45 0.00 0.00 34.95 32.26 1wyg s ARG 383 CO 0.11 0.58 1.39 1.41 -0.68 0.00 0.00 175.30 178.10 1wyg s MET 384 N -0.84 4.32 0.20 3.54 1.75 -0.80 -4.82 119.30 122.65 1wyg s MET 384 Ca 0.11 2.04 -0.23 0.00 -1.25 0.00 0.00 55.69 56.37 1wyg s MET 384 Cb -0.10 -3.32 0.06 0.00 2.84 0.00 0.00 34.83 34.31 1wyg s MET 384 CO 0.01 -0.46 0.92 0.16 -0.65 0.00 0.00 175.02 175.00 1wyg s ASP 385 N 1.27 -0.15 0.61 1.11 1.47 -1.26 -4.47 116.67 115.25 1wyg s ASP 385 Ca 0.64 -0.55 0.24 0.00 1.18 0.00 0.00 52.55 54.06 1wyg s ASP 385 Cb -0.36 0.56 0.91 0.00 -0.34 0.00 0.00 42.92 43.69 1wyg s ASP 385 CO 0.30 -1.06 1.37 1.12 0.68 0.00 0.00 175.17 177.57 1wyg h HIS 386 N 2.00 0.00 0.00 2.11 2.07 -1.93 0.39 115.15 119.79 1wyg h HIS 386 Ca -0.24 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.13 1wyg h HIS 386 Cb 1.23 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.19 1wyg h HIS 386 CO 0.63 0.00 -0.71 0.00 -3.07 0.00 0.00 177.93 174.77 1wyg h THR 387 N 0.00 1.34 -0.38 6.12 1.03 -1.95 -3.32 112.91 115.75 1wyg h THR 387 Ca 0.38 -2.59 -0.04 0.00 -0.01 0.00 0.00 66.41 64.15 1wyg h THR 387 Cb 2.50 2.46 -0.02 0.00 -1.07 0.00 0.00 68.15 72.03 1wyg h THR 387 CO -0.00 0.70 0.05 0.15 -0.01 0.00 0.00 175.52 176.40 1wyg h PHE 388 N 0.00 0.60 -3.06 0.00 3.57 -0.52 -3.34 116.94 114.18 1wyg h PHE 388 Ca -0.01 -0.05 -0.73 0.00 3.53 0.00 0.00 57.97 60.72 1wyg h PHE 388 Cb 1.41 -0.18 -0.34 0.00 2.79 0.00 0.00 35.95 39.63 1wyg h PHE 388 CO 0.00 0.55 0.11 1.19 -2.23 0.00 0.00 178.31 177.93 1wyg n PHE 389 N -4.30 3.80 0.00 0.41 0.99 -1.25 -2.02 117.46 115.10 1wyg n PHE 389 Ca 0.02 -3.73 0.00 0.00 -0.00 0.00 0.00 57.45 53.74 1wyg n PHE 389 Cb 0.22 -1.15 0.00 0.00 -1.00 0.00 0.00 39.48 37.55 1wyg n PHE 389 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1wyg n PRO 390 N 1.86 0.00 -0.67 -1.08 -0.02 -1.25 -4.89 135.00 128.95 1wyg n PRO 390 Ca 0.24 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1wyg n PRO 390 Cb 0.37 -0.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 1wyg n PRO 390 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wyg n GLY 391 N -0.69 6.12 3.68 -1.23 0.00 -1.26 -5.02 105.19 106.79 1wyg n GLY 391 Ca 0.00 -2.09 -0.52 0.00 0.00 0.00 0.00 46.02 43.41 1wyg n GLY 391 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wyg n TYR 392 N -0.03 2.11 -4.19 1.61 9.36 -1.26 -2.52 117.16 122.24 1wyg n TYR 392 Ca 0.00 0.32 -0.38 0.00 3.32 0.00 0.00 57.90 61.16 1wyg n TYR 392 Cb 0.00 -2.53 -0.04 0.00 -0.63 0.00 0.00 39.34 36.14 1wyg n TYR 392 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1wyg n ARG 393 N 5.28 -0.71 -4.20 2.98 1.74 -1.25 -4.97 116.66 115.53 1wyg n ARG 393 Ca 0.23 0.10 -0.12 0.00 -0.77 0.00 0.00 57.85 57.29 1wyg n ARG 393 Cb 0.21 -3.13 -0.10 0.00 -1.02 0.00 0.00 32.46 28.43 1wyg n ARG 393 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1wyg s LYS 394 N -7.38 1.03 0.33 5.56 1.02 -1.05 -4.89 119.74 114.36 1wyg s LYS 394 Ca 0.24 -1.50 -0.04 0.00 0.02 0.00 0.00 55.97 54.69 1wyg s LYS 394 Cb -0.13 -0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.16 1wyg s LYS 394 CO 0.98 -0.20 0.46 0.95 -0.92 0.00 0.00 175.35 176.63 1wyg s THR 395 N -3.85 0.00 0.39 2.17 -4.23 -1.26 -4.07 115.64 104.79 1wyg s THR 395 Ca 0.25 -1.58 0.10 0.00 -1.18 0.00 0.00 61.69 59.27 1wyg s THR 395 Cb 0.07 -2.58 0.16 0.00 1.34 0.00 0.00 72.50 71.48 1wyg s THR 395 CO 0.03 0.00 1.91 -0.07 -0.54 0.00 0.00 174.62 175.96 1wyg h LEU 396 N 2.15 0.22 -9.23 4.79 3.38 -1.69 -3.45 115.31 111.47 1wyg h LEU 396 Ca -0.28 -0.05 -0.68 0.00 0.09 0.00 0.00 57.88 56.96 1wyg h LEU 396 Cb 1.24 -0.06 0.07 0.00 0.09 0.00 0.00 40.66 42.00 1wyg h LEU 396 CO 0.39 0.38 0.24 0.18 0.09 0.00 0.00 178.44 179.73 1wyg n LEU 397 N -4.27 1.13 -4.83 1.67 4.32 -1.26 -4.95 117.00 108.80 1wyg n LEU 397 Ca -0.01 1.14 -0.31 0.00 -0.02 0.00 0.00 56.01 56.81 1wyg n LEU 397 Cb 0.27 -1.14 0.02 0.00 -1.62 0.00 0.00 43.42 40.95 1wyg n LEU 397 CO 0.38 -1.42 0.71 -0.13 -1.22 0.00 0.00 177.39 175.70 1wyg s ARG 398 N -0.07 3.30 0.46 3.23 0.52 -1.26 -4.91 118.95 120.22 1wyg s ARG 398 Ca 0.79 0.95 0.27 0.00 -0.52 0.00 0.00 55.73 57.22 1wyg s ARG 398 Cb -0.96 -2.04 1.31 0.00 0.52 0.00 0.00 34.95 33.78 1wyg s ARG 398 CO 0.51 -0.81 1.77 -1.35 0.02 0.00 0.00 175.30 175.45 1wyg h PRO 399 N -0.21 0.20 -0.01 3.54 0.11 -1.94 -0.61 132.00 133.08 1wyg h PRO 399 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1wyg h PRO 399 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1wyg h PRO 399 CO 0.59 0.14 -0.32 -0.85 -0.21 0.00 0.00 178.00 177.34 1wyg n GLU 400 N -4.45 1.23 -2.77 1.05 0.00 -1.26 -4.72 120.64 109.72 1wyg n GLU 400 Ca 0.26 -0.92 -0.26 0.00 0.00 0.00 0.00 57.16 56.25 1wyg n GLU 400 Cb 1.07 -1.48 0.01 0.00 0.00 0.00 0.00 31.44 31.03 1wyg n GLU 400 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1wyg s GLU 401 N -2.40 3.30 0.01 3.44 2.02 -0.24 -4.60 118.70 120.22 1wyg s GLU 401 Ca 0.23 -0.06 -0.02 0.00 0.02 0.00 0.00 54.97 55.14 1wyg s GLU 401 Cb 0.19 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.98 1wyg s GLU 401 CO 0.51 -0.27 0.02 0.96 0.02 0.00 0.00 175.26 176.50 1wyg s ILE 402 N -2.69 0.07 -0.21 -1.63 -5.25 -0.52 -4.74 121.20 106.23 1wyg s ILE 402 Ca 0.48 -0.62 -0.29 0.00 -0.99 0.00 0.00 60.65 59.23 1wyg s ILE 402 Cb -0.10 -0.24 -0.02 0.00 2.95 0.00 0.00 42.46 45.05 1wyg s ILE 402 CO 0.42 -0.34 1.54 -0.22 -1.79 0.00 0.00 174.94 174.55 1wyg s LEU 403 N -1.04 3.96 -0.14 0.37 2.96 -1.26 -2.58 118.68 120.96 1wyg s LEU 403 Ca -0.11 1.63 -0.23 0.00 -0.22 0.00 0.00 54.13 55.19 1wyg s LEU 403 Cb -0.07 -3.53 -0.21 0.00 0.50 0.00 0.00 46.19 42.88 1wyg s LEU 403 CO -0.00 -1.15 0.59 0.25 -1.32 0.00 0.00 176.35 174.72 1wyg h LEU 404 N 11.23 0.00 -8.03 -0.68 5.85 -1.67 -3.39 115.31 118.62 1wyg h LEU 404 Ca -0.32 -0.78 0.04 0.00 0.84 0.00 0.00 57.88 57.65 1wyg h LEU 404 Cb 1.14 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 1wyg h LEU 404 CO 1.00 0.95 0.14 -0.94 -0.34 0.00 0.00 178.44 179.25 1wyg s SER 405 N -6.15 -0.22 -0.04 1.25 1.04 -1.25 -0.53 113.70 107.80 1wyg s SER 405 Ca -0.17 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.61 1wyg s SER 405 Cb -0.02 0.69 0.01 0.00 0.10 0.00 0.00 66.02 66.80 1wyg s SER 405 CO 0.56 -1.28 -0.07 -0.63 0.98 0.00 0.00 173.24 172.80 1wyg s ILE 406 N -3.94 0.68 -0.33 -1.02 -1.09 0.33 -2.09 121.20 113.75 1wyg s ILE 406 Ca 0.14 -0.25 -0.08 0.00 -2.23 0.00 0.00 60.65 58.23 1wyg s ILE 406 Cb -0.04 -0.65 0.02 0.00 -1.58 0.00 0.00 42.46 40.20 1wyg s ILE 406 CO 0.07 0.24 0.13 -0.70 -1.23 0.00 0.00 174.94 173.45 1wyg s GLU 407 N 0.59 2.93 -0.45 2.79 2.12 -0.66 -0.07 118.70 125.96 1wyg s GLU 407 Ca -0.09 -0.98 -0.24 0.00 0.36 0.00 0.00 54.97 54.02 1wyg s GLU 407 Cb -0.12 -3.51 0.02 0.00 0.26 0.00 0.00 34.13 30.79 1wyg s GLU 407 CO 0.01 -0.56 0.84 0.42 -0.54 0.00 0.00 175.26 175.42 1wyg s ILE 408 N 1.50 4.59 0.57 -3.70 1.01 0.60 -3.23 121.20 122.54 1wyg s ILE 408 Ca 0.02 0.58 -0.21 0.00 0.00 0.00 0.00 60.65 61.04 1wyg s ILE 408 Cb -0.18 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 1wyg s ILE 408 CO 0.04 -0.74 1.33 -2.16 0.00 0.00 0.00 174.94 173.41 1wyg s PRO 409 N 3.45 3.02 0.43 2.79 0.04 -1.26 -2.18 135.00 141.28 1wyg s PRO 409 Ca 0.33 2.17 -0.21 0.00 0.04 0.00 0.00 61.00 63.32 1wyg s PRO 409 Cb -0.11 -2.15 -0.11 0.00 0.04 0.00 0.00 34.50 32.16 1wyg s PRO 409 CO 0.24 -1.26 0.96 0.71 0.04 0.00 0.00 177.00 177.68 1wyg s TYR 410 N -1.34 3.30 -0.07 0.56 1.51 0.27 -4.57 117.35 117.00 1wyg s TYR 410 Ca 0.74 1.61 -0.26 0.00 -1.01 0.00 0.00 57.07 58.15 1wyg s TYR 410 Cb -0.39 -2.87 -0.03 0.00 -0.11 0.00 0.00 41.96 38.57 1wyg s TYR 410 CO 0.45 -0.15 0.85 -1.54 -1.11 0.00 0.00 175.55 174.05 1wyg s SER 411 N -2.14 7.12 0.57 2.29 1.04 -0.57 -4.95 113.70 117.06 1wyg s SER 411 Ca 0.62 1.36 -0.16 0.00 0.48 0.00 0.00 55.95 58.25 1wyg s SER 411 Cb -0.10 -2.48 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 1wyg s SER 411 CO 0.14 -0.26 1.04 -0.54 0.98 0.00 0.00 173.24 174.60 1wyg s LYS 412 N 1.29 3.50 0.14 4.02 1.02 -1.26 -3.84 119.74 124.61 1wyg s LYS 412 Ca 0.43 1.15 -0.32 0.00 0.02 0.00 0.00 55.97 57.25 1wyg s LYS 412 Cb -0.19 -2.06 -0.12 0.00 -0.52 0.00 0.00 37.83 34.94 1wyg s LYS 412 CO 0.20 -0.66 1.74 -1.91 -0.92 0.00 0.00 175.35 173.80 1wyg n GLU 413 N -1.86 2.56 -0.88 1.68 4.07 -1.26 -0.90 120.64 124.05 1wyg n GLU 413 Ca 0.08 0.93 0.00 0.00 -0.06 0.00 0.00 57.16 58.11 1wyg n GLU 413 Cb 0.53 -2.77 0.00 0.00 -0.06 0.00 0.00 31.44 29.14 1wyg n GLU 413 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wyg n GLY 414 N 3.95 0.62 3.18 8.31 0.00 -1.26 -4.94 105.19 115.05 1wyg n GLY 414 Ca 0.18 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 1wyg n GLY 414 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wyg s GLU 415 N -1.82 2.09 0.03 1.61 2.12 -0.08 -1.86 118.70 120.79 1wyg s GLU 415 Ca 0.00 -0.71 0.05 0.00 0.36 0.00 0.00 54.97 54.67 1wyg s GLU 415 Cb 0.00 -1.78 -0.02 0.00 0.26 0.00 0.00 34.13 32.59 1wyg s GLU 415 CO 0.00 0.27 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.79 1wyg s PHE 416 N 0.03 1.25 0.04 5.30 0.08 -0.03 -4.75 117.98 119.90 1wyg s PHE 416 Ca -0.05 -0.32 0.03 0.00 0.12 0.00 0.00 56.93 56.71 1wyg s PHE 416 Cb -0.13 -0.76 -0.02 0.00 -0.57 0.00 0.00 43.02 41.54 1wyg s PHE 416 CO 0.03 0.02 -0.10 0.12 -0.10 0.00 0.00 175.22 175.19 1wyg s PHE 417 N -0.70 0.87 0.01 0.36 5.36 -1.26 -1.27 117.98 121.35 1wyg s PHE 417 Ca 0.03 -0.40 -0.05 0.00 -0.96 0.00 0.00 56.93 55.55 1wyg s PHE 417 Cb -0.07 -0.51 -0.01 0.00 -0.34 0.00 0.00 43.02 42.09 1wyg s PHE 417 CO 0.01 -0.02 0.09 -1.12 -1.46 0.00 0.00 175.22 172.72 1wyg s SER 418 N -1.30 0.10 -0.02 6.13 0.01 -0.01 -4.90 113.70 113.71 1wyg s SER 418 Ca -0.04 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 56.92 1wyg s SER 418 Cb -0.08 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1wyg s SER 418 CO 0.01 -0.38 -0.09 0.00 0.41 0.00 0.00 173.24 173.19 1wyg s ALA 419 N -1.60 0.89 0.15 1.44 0.00 -1.26 -0.84 121.76 120.54 1wyg s ALA 419 Ca -0.14 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.52 1wyg s ALA 419 Cb -0.07 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1wyg s ALA 419 CO 0.00 0.15 -0.11 -0.06 0.00 0.00 0.00 175.76 175.74 1wyg s PHE 420 N 0.13 1.35 -0.28 0.00 0.40 -0.06 -4.92 117.98 114.61 1wyg s PHE 420 Ca -0.02 -0.70 -0.22 0.00 -0.60 0.00 0.00 56.93 55.39 1wyg s PHE 420 Cb -0.08 -0.68 0.10 0.00 0.51 0.00 0.00 43.02 42.87 1wyg s PHE 420 CO 0.00 0.14 0.84 0.21 0.70 0.00 0.00 175.22 177.11 1wyg s LYS 421 N -3.55 0.65 -0.12 0.44 2.20 -1.26 -0.94 119.74 117.17 1wyg s LYS 421 Ca 0.16 0.88 -0.07 0.00 -0.36 0.00 0.00 55.97 56.59 1wyg s LYS 421 Cb 0.01 0.26 0.05 0.00 -1.51 0.00 0.00 37.83 36.64 1wyg s LYS 421 CO 0.02 -0.10 0.28 -1.14 -0.36 0.00 0.00 175.35 174.06 1wyg s GLN 422 N 0.72 0.26 0.00 4.03 2.00 -0.76 -5.02 119.66 120.89 1wyg s GLN 422 Ca -0.02 0.57 0.00 0.00 -2.00 0.00 0.00 55.36 53.91 1wyg s GLN 422 Cb -0.05 -0.07 0.00 0.00 0.80 0.00 0.00 33.01 33.69 1wyg s GLN 422 CO -0.07 -0.15 0.00 0.00 -0.50 0.00 0.00 175.29 174.57 1wyg n ALA 423 N 4.10 0.00 0.04 1.58 0.00 -1.26 0.27 120.51 125.23 1wyg n ALA 423 Ca -0.24 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.31 1wyg n ALA 423 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 1wyg n ALA 423 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wyg n SER 424 N 0.00 0.38 -3.84 0.00 7.64 -1.26 -4.74 113.62 111.79 1wyg n SER 424 Ca 0.00 0.15 -0.12 0.00 1.01 0.00 0.00 58.87 59.91 1wyg n SER 424 Cb 0.00 1.28 -0.12 0.00 -1.01 0.00 0.00 64.21 64.37 1wyg n SER 424 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1wyg s ARG 425 N -3.42 0.29 0.02 1.43 3.52 -1.26 -4.74 118.95 114.79 1wyg s ARG 425 Ca -0.05 -0.01 -0.10 0.00 -0.13 0.00 0.00 55.73 55.45 1wyg s ARG 425 Cb 0.12 0.13 -0.05 0.00 -1.56 0.00 0.00 34.95 33.59 1wyg s ARG 425 CO 0.86 -0.06 1.15 0.00 -0.81 0.00 0.00 175.30 176.44 1wyg h ARG 426 N 5.31 -0.30 -6.73 5.12 3.08 -1.97 -3.42 114.38 115.47 1wyg h ARG 426 Ca -0.27 0.02 -0.52 0.00 0.07 0.00 0.00 59.98 59.28 1wyg h ARG 426 Cb 1.20 0.07 0.04 0.00 0.08 0.00 0.00 29.97 31.36 1wyg h ARG 426 CO 0.41 -0.20 0.65 -1.21 -1.07 0.00 0.00 179.97 178.55 1wyg s GLU 427 N -3.75 4.38 -0.09 0.04 8.01 -1.26 -4.48 118.70 121.56 1wyg s GLU 427 Ca -0.05 2.10 -0.08 0.00 0.01 0.00 0.00 54.97 56.96 1wyg s GLU 427 Cb 0.01 -3.16 0.01 0.00 -4.31 0.00 0.00 34.13 26.68 1wyg s GLU 427 CO 0.15 -0.24 0.13 -3.47 0.01 0.00 0.00 175.26 171.85 1wyg n ASP 428 N 2.17 -3.35 -3.97 -0.19 2.03 -1.24 -4.99 116.55 107.03 1wyg n ASP 428 Ca 0.05 0.11 -0.09 0.00 0.52 0.00 0.00 54.79 55.38 1wyg n ASP 428 Cb 0.42 -0.85 -0.05 0.00 -0.72 0.00 0.00 41.12 39.92 1wyg n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wyg s ASP 429 N -0.63 -0.11 -0.14 1.67 -1.08 -1.26 -4.93 116.67 110.20 1wyg s ASP 429 Ca 0.07 -0.87 -0.16 0.00 -0.52 0.00 0.00 52.55 51.07 1wyg s ASP 429 Cb -0.01 0.59 -0.04 0.00 -1.46 0.00 0.00 42.92 42.00 1wyg s ASP 429 CO 0.17 -1.13 0.39 -0.63 0.52 0.00 0.00 175.17 174.48 1wyg s ILE 430 N -4.00 5.25 0.29 4.11 1.01 -1.26 -4.79 121.20 121.80 1wyg s ILE 430 Ca 0.20 0.76 -0.29 0.00 0.00 0.00 0.00 60.65 61.32 1wyg s ILE 430 Cb -0.01 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 1wyg s ILE 430 CO 0.07 0.36 1.29 0.00 0.00 0.00 0.00 174.94 176.66 1wyg s ALA 431 N 0.55 3.50 -0.00 9.38 0.00 -1.26 -4.58 121.76 129.35 1wyg s ALA 431 Ca 0.21 1.18 -0.16 0.00 0.00 0.00 0.00 51.96 53.19 1wyg s ALA 431 Cb -0.14 -3.46 -0.34 0.00 0.00 0.00 0.00 23.12 19.18 1wyg s ALA 431 CO 0.07 -0.56 0.91 0.87 0.00 0.00 0.00 175.76 177.05 1wyg h LYS 432 N 4.00 0.46 -2.91 0.00 1.79 -0.52 -3.46 116.57 115.93 1wyg h LYS 432 Ca -0.47 -0.79 -0.17 0.00 -2.18 0.00 0.00 60.65 57.03 1wyg h LYS 432 Cb 1.22 0.30 -0.28 0.00 -1.58 0.00 0.00 32.23 31.88 1wyg h LYS 432 CO 0.69 1.38 -0.42 0.08 -1.08 0.00 0.00 179.45 180.10 1wyg s VAL 433 N -2.56 -0.03 0.07 0.50 1.01 -1.12 -4.36 120.40 113.92 1wyg s VAL 433 Ca -0.11 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.05 1wyg s VAL 433 Cb 0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 1wyg s VAL 433 CO 0.90 0.05 -0.16 0.42 0.00 0.00 0.00 175.10 176.32 1wyg s THR 434 N 1.22 1.26 -0.02 3.92 -4.23 -0.40 -1.83 115.64 115.57 1wyg s THR 434 Ca -0.09 -1.32 -0.18 0.00 -1.18 0.00 0.00 61.69 58.93 1wyg s THR 434 Cb -0.09 -1.18 0.03 0.00 1.34 0.00 0.00 72.50 72.60 1wyg s THR 434 CO -0.09 -0.15 0.38 -0.55 -0.54 0.00 0.00 174.62 173.67 1wyg s SER 435 N -1.69 -0.27 -0.17 3.99 0.15 -0.11 0.19 113.70 115.78 1wyg s SER 435 Ca 0.01 0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.84 1wyg s SER 435 Cb -0.10 0.36 0.03 0.00 -1.71 0.00 0.00 66.02 64.60 1wyg s SER 435 CO 0.03 -0.49 -0.15 -0.83 1.20 0.00 0.00 173.24 173.00 1wyg s GLY 436 N -1.36 1.23 -0.12 9.45 0.00 -0.20 -0.88 107.32 115.43 1wyg s GLY 436 Ca -0.12 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.56 1wyg s GLY 436 CO 0.05 0.50 -0.18 1.06 0.00 0.00 0.00 173.10 174.53 1wyg s MET 437 N 1.41 2.54 0.12 2.90 -1.94 -0.02 -1.10 119.30 123.21 1wyg s MET 437 Ca 0.04 -0.68 0.08 0.00 -1.71 0.00 0.00 55.69 53.42 1wyg s MET 437 Cb -0.14 -2.11 -0.04 0.00 2.01 0.00 0.00 34.83 34.56 1wyg s MET 437 CO -0.11 -0.05 -0.21 0.50 -0.01 0.00 0.00 175.02 175.15 1wyg s ARG 438 N 0.93 1.17 -0.13 2.03 3.52 -0.03 -0.83 118.95 125.61 1wyg s ARG 438 Ca -0.07 -1.22 -0.09 0.00 -0.13 0.00 0.00 55.73 54.23 1wyg s ARG 438 Cb -0.15 -1.42 0.04 0.00 -1.56 0.00 0.00 34.95 31.86 1wyg s ARG 438 CO -0.02 0.32 0.32 0.54 -0.81 0.00 0.00 175.30 175.66 1wyg s VAL 439 N -1.30 -0.02 -0.17 7.11 0.11 -0.39 -1.12 120.40 124.61 1wyg s VAL 439 Ca 0.09 0.07 -0.00 0.00 -2.93 0.00 0.00 61.98 59.20 1wyg s VAL 439 Cb -0.09 -0.47 0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1wyg s VAL 439 CO 0.05 0.03 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.56 1wyg s LEU 440 N 0.83 1.74 0.46 2.54 2.96 0.13 -0.85 118.68 126.49 1wyg s LEU 440 Ca -0.05 -0.68 -0.06 0.00 -0.22 0.00 0.00 54.13 53.12 1wyg s LEU 440 Cb -0.06 -0.99 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 1wyg s LEU 440 CO -0.06 -0.17 0.77 -0.36 -1.32 0.00 0.00 176.35 175.21 1wyg s PHE 441 N 1.58 3.55 0.29 5.38 0.40 -0.78 0.66 117.98 129.06 1wyg s PHE 441 Ca 0.01 0.83 -0.29 0.00 -0.60 0.00 0.00 56.93 56.87 1wyg s PHE 441 Cb -0.15 -2.30 -0.10 0.00 0.51 0.00 0.00 43.02 40.97 1wyg s PHE 441 CO -0.08 -0.22 1.44 0.15 0.70 0.00 0.00 175.22 177.20 1wyg s LYS 442 N -4.56 4.24 0.18 0.44 -0.14 0.22 -4.64 119.74 115.49 1wyg s LYS 442 Ca 0.48 2.36 -0.31 0.00 -1.36 0.00 0.00 55.97 57.13 1wyg s LYS 442 Cb -0.10 -3.07 -0.16 0.00 -1.68 0.00 0.00 37.83 32.81 1wyg s LYS 442 CO 0.42 -0.41 0.88 -2.30 -0.76 0.00 0.00 175.35 173.18 1wyg n PRO 443 N 1.74 0.60 0.00 -1.68 -0.02 -1.26 -1.16 135.00 133.21 1wyg n PRO 443 Ca 0.05 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1wyg n PRO 443 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1wyg n PRO 443 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wyg n GLY 444 N 1.78 0.98 0.00 -1.23 0.00 -1.26 -4.91 105.19 100.54 1wyg n GLY 444 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1wyg n GLY 444 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wyg n THR 445 N -1.82 0.00 -2.51 2.61 -2.24 -0.31 -5.03 114.28 104.98 1wyg n THR 445 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1wyg n THR 445 Cb 0.00 -0.90 0.05 0.00 -2.10 0.00 0.00 70.33 67.37 1wyg n THR 445 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1wyg n ILE 446 N -0.12 0.75 -3.67 2.28 -5.35 -1.26 -4.75 119.36 107.25 1wyg n ILE 446 Ca 0.00 -2.01 -0.36 0.00 -0.27 0.00 0.00 62.75 60.10 1wyg n ILE 446 Cb 0.00 0.88 -0.10 0.00 -1.74 0.00 0.00 39.64 38.68 1wyg n ILE 446 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1wyg s GLU 447 N -1.75 4.06 -0.23 6.28 2.02 -1.26 -1.33 118.70 126.50 1wyg s GLU 447 Ca 0.33 -0.27 -0.28 0.00 0.02 0.00 0.00 54.97 54.76 1wyg s GLU 447 Cb 0.37 -3.53 -0.05 0.00 0.10 0.00 0.00 34.13 31.02 1wyg s GLU 447 CO -0.11 0.06 2.14 0.08 0.02 0.00 0.00 175.26 177.46 1wyg s VAL 448 N 1.05 3.08 -0.11 2.63 1.01 0.11 0.69 120.40 128.87 1wyg s VAL 448 Ca 0.07 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1wyg s VAL 448 Cb -0.13 -3.11 -0.24 0.00 0.00 0.00 0.00 36.38 32.90 1wyg s VAL 448 CO 0.04 -0.07 0.39 1.67 0.00 0.00 0.00 175.10 177.14 1wyg n GLN 449 N 8.66 0.69 -3.71 2.72 7.27 0.21 0.16 117.38 133.38 1wyg n GLN 449 Ca 0.28 0.24 -0.12 0.00 0.07 0.00 0.00 57.00 57.47 1wyg n GLN 449 Cb 0.45 -1.70 -0.10 0.00 2.41 0.00 0.00 30.24 31.29 1wyg n GLN 449 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1wyg s GLU 450 N -2.56 0.44 -0.06 3.69 2.02 -0.06 -4.84 118.70 117.33 1wyg s GLU 450 Ca -0.16 0.69 -0.02 0.00 0.02 0.00 0.00 54.97 55.50 1wyg s GLU 450 Cb 0.07 0.11 0.04 0.00 0.10 0.00 0.00 34.13 34.45 1wyg s GLU 450 CO 0.78 -0.11 0.08 -1.17 0.02 0.00 0.00 175.26 174.86 1wyg s LEU 451 N 0.81 0.11 -0.07 1.80 2.96 -1.26 0.19 118.68 123.21 1wyg s LEU 451 Ca -0.05 0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1wyg s LEU 451 Cb -0.06 -0.06 0.00 0.00 0.50 0.00 0.00 46.19 46.57 1wyg s LEU 451 CO -0.06 -0.25 -0.20 -0.55 -1.32 0.00 0.00 176.35 173.96 1wyg s SER 452 N 2.19 2.61 -0.25 3.68 0.15 -0.28 -4.78 113.70 117.03 1wyg s SER 452 Ca 0.05 -0.45 -0.01 0.00 0.70 0.00 0.00 55.95 56.23 1wyg s SER 452 Cb -0.12 -1.04 0.08 0.00 -1.71 0.00 0.00 66.02 63.23 1wyg s SER 452 CO -0.04 0.14 0.05 -0.76 1.20 0.00 0.00 173.24 173.83 1wyg s LEU 453 N 0.28 1.83 -0.08 3.45 1.43 -1.26 -0.85 118.68 123.48 1wyg s LEU 453 Ca -0.13 -1.24 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 1wyg s LEU 453 Cb -0.16 -0.79 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 1wyg s LEU 453 CO 0.06 -0.35 -0.08 0.00 0.23 0.00 0.00 176.35 176.21 1wyg s PHE 455 N -0.53 1.93 -0.01 0.00 0.40 0.18 -1.04 117.98 118.90 1wyg s PHE 455 Ca 0.08 -0.65 0.01 0.00 -0.60 0.00 0.00 56.93 55.77 1wyg s PHE 455 Cb -0.12 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.37 1wyg s PHE 455 CO 0.02 0.32 -0.04 0.20 0.70 0.00 0.00 175.22 176.43 1wyg s GLY 456 N -3.42 0.23 0.00 4.36 0.00 0.13 -2.09 107.32 106.53 1wyg s GLY 456 Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1wyg s GLY 456 CO 0.11 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.83 1wyg n GLY 457 N 3.24 0.86 0.00 0.20 0.00 -0.87 -1.27 105.19 107.36 1wyg n GLY 457 Ca -0.16 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.75 1wyg n GLY 457 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wyg n MET 458 N -2.25 1.98 -3.74 1.61 2.00 -1.26 -4.78 117.12 110.67 1wyg n MET 458 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 57.70 57.54 1wyg n MET 458 Cb 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 33.22 32.25 1wyg n MET 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wyg n ALA 459 N -1.44 -0.06 1.29 3.04 0.00 -1.26 -4.99 120.51 117.09 1wyg n ALA 459 Ca -0.00 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1wyg n ALA 459 Cb 0.07 1.20 0.00 0.00 0.00 0.00 0.00 19.45 20.72 1wyg n ALA 459 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wyg n ASP 460 N -1.73 0.42 -3.35 0.00 3.85 -1.26 -4.77 116.55 109.70 1wyg n ASP 460 Ca 0.02 -1.72 -0.04 0.00 -0.71 0.00 0.00 54.79 52.34 1wyg n ASP 460 Cb 0.52 -0.21 0.01 0.00 -1.35 0.00 0.00 41.12 40.09 1wyg n ASP 460 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1wyg s ARG 461 N -1.51 1.48 -0.14 0.11 1.70 -1.26 -4.22 118.95 115.11 1wyg s ARG 461 Ca 0.00 -0.93 -0.26 0.00 -0.47 0.00 0.00 55.73 54.07 1wyg s ARG 461 Cb 0.00 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.79 1wyg s ARG 461 CO 0.00 -0.69 0.86 0.99 -1.08 0.00 0.00 175.30 175.37 1wyg s THR 462 N -2.41 4.88 0.25 4.99 2.01 -1.26 -4.64 115.64 119.47 1wyg s THR 462 Ca 0.19 1.71 0.06 0.00 0.31 0.00 0.00 61.69 63.95 1wyg s THR 462 Cb -0.03 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 1wyg s THR 462 CO 0.06 0.06 -0.06 0.27 -0.69 0.00 0.00 174.62 174.26 1wyg s ILE 463 N 1.90 1.48 0.24 1.82 -4.36 -0.89 -4.89 121.20 116.50 1wyg s ILE 463 Ca 0.41 -2.11 0.11 0.00 -0.26 0.00 0.00 60.65 58.80 1wyg s ILE 463 Cb -0.17 -2.34 -0.05 0.00 1.25 0.00 0.00 42.46 41.15 1wyg s ILE 463 CO 0.15 -0.37 -0.18 -0.55 0.24 0.00 0.00 174.94 174.23 1wyg s SER 464 N -3.38 3.73 -1.39 4.36 0.15 -1.26 0.47 113.70 116.37 1wyg s SER 464 Ca 0.28 -0.87 -0.07 0.00 0.70 0.00 0.00 55.95 55.98 1wyg s SER 464 Cb 0.04 -0.40 0.07 0.00 -1.71 0.00 0.00 66.02 64.02 1wyg s SER 464 CO 0.10 0.07 2.46 0.00 1.20 0.00 0.00 173.24 177.07 1wyg n ALA 465 N -0.26 6.79 0.10 5.45 0.00 -0.30 -4.75 120.51 127.55 1wyg n ALA 465 Ca -0.09 -3.97 0.19 0.00 0.00 0.00 0.00 53.44 49.57 1wyg n ALA 465 Cb 0.58 -2.96 0.62 0.00 0.00 0.00 0.00 19.45 17.69 1wyg n ALA 465 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wyg h LEU 466 N 6.31 0.00 0.00 0.00 3.38 -1.96 -2.16 115.31 120.88 1wyg h LEU 466 Ca 0.71 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.68 1wyg h LEU 466 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1wyg h LEU 466 CO 1.58 0.00 -0.56 0.29 0.09 0.00 0.00 178.44 179.85 1wyg n LYS 467 N -3.30 0.44 -0.22 1.13 5.02 -1.26 -4.30 118.16 115.67 1wyg n LYS 467 Ca 0.08 0.47 0.03 0.00 -2.02 0.00 0.00 58.31 56.87 1wyg n LYS 467 Cb 0.81 -1.62 0.14 0.00 -0.02 0.00 0.00 35.03 34.34 1wyg n LYS 467 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1wyg h THR 468 N -0.96 0.61 -0.63 -0.18 2.02 -1.82 -3.12 112.91 108.83 1wyg h THR 468 Ca 0.00 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 1wyg h THR 468 Cb 0.56 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1wyg h THR 468 CO 0.00 0.05 0.03 0.71 0.37 0.00 0.00 175.52 176.68 1wyg h THR 469 N 0.30 1.27 -0.69 3.16 1.35 -1.64 -3.20 112.91 113.45 1wyg h THR 469 Ca 0.36 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1wyg h THR 469 Cb 0.55 0.75 -0.03 0.00 -1.73 0.00 0.00 68.15 67.69 1wyg h THR 469 CO -0.43 0.41 0.43 -0.65 -0.25 0.00 0.00 175.52 175.04 1wyg h PRO 470 N 1.00 0.93 -1.72 4.72 0.11 -1.73 -2.13 132.00 133.18 1wyg h PRO 470 Ca 0.18 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1wyg h PRO 470 Cb 0.53 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1wyg h PRO 470 CO 0.03 0.64 0.00 1.63 -0.21 0.00 0.00 178.00 180.09 1wyg n LYS 471 N -4.57 0.32 0.00 1.05 5.02 -1.21 -1.20 118.16 117.57 1wyg n LYS 471 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1wyg n LYS 471 Cb 0.04 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1wyg n LYS 471 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1wyg n GLN 472 N 0.98 0.00 -2.09 1.97 -0.06 -0.80 -5.02 117.38 112.36 1wyg n GLN 472 Ca 0.00 -0.01 -0.41 0.00 -2.00 0.00 0.00 57.00 54.58 1wyg n GLN 472 Cb 0.16 -0.47 -0.02 0.00 -4.06 0.00 0.00 30.24 25.85 1wyg n GLN 472 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1wyg s LEU 473 N 0.00 4.42 0.00 1.69 1.43 -0.34 -2.88 118.68 122.99 1wyg s LEU 473 Ca 0.00 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 1wyg s LEU 473 Cb 0.00 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1wyg s LEU 473 CO 0.00 -0.58 0.00 -1.20 0.23 0.00 0.00 176.35 174.80 1wyg n SER 474 N 1.22 0.00 -4.51 2.29 7.64 0.43 -4.93 113.62 115.77 1wyg n SER 474 Ca 0.02 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.61 1wyg n SER 474 Cb 0.41 -0.12 0.24 0.00 -1.01 0.00 0.00 64.21 63.74 1wyg n SER 474 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wyg s LYS 475 N 0.00 -0.77 0.15 1.43 1.02 -1.14 -4.24 119.74 116.18 1wyg s LYS 475 Ca 0.00 0.87 0.04 0.00 0.02 0.00 0.00 55.97 56.90 1wyg s LYS 475 Cb 0.00 -1.57 -0.04 0.00 -0.52 0.00 0.00 37.83 35.70 1wyg s LYS 475 CO 0.00 -3.64 0.16 -1.12 -0.92 0.00 0.00 175.35 169.84 1wyg s SER 476 N -2.56 5.73 -1.11 2.83 0.01 -1.26 0.07 113.70 117.40 1wyg s SER 476 Ca 0.68 -0.03 -0.22 0.00 1.31 0.00 0.00 55.95 57.69 1wyg s SER 476 Cb -0.25 -1.57 -0.01 0.00 0.21 0.00 0.00 66.02 64.41 1wyg s SER 476 CO 0.64 0.08 1.79 0.86 0.41 0.00 0.00 173.24 177.02 1wyg s TRP 477 N -1.69 2.24 0.20 2.43 -0.11 -0.44 -4.56 118.94 117.01 1wyg s TRP 477 Ca 0.32 -0.28 -0.02 0.00 1.22 0.00 0.00 56.10 57.34 1wyg s TRP 477 Cb -0.11 -4.34 -0.04 0.00 -1.50 0.00 0.00 33.47 27.48 1wyg s TRP 477 CO 0.24 -1.64 0.15 0.54 -4.62 0.00 0.00 176.95 171.63 1wyg s ASN 478 N 6.00 0.14 0.52 5.86 4.22 -1.26 -4.90 114.94 125.52 1wyg s ASN 478 Ca 0.61 -1.34 0.40 0.00 -2.14 0.00 0.00 52.86 50.38 1wyg s ASN 478 Cb -0.01 0.39 1.58 0.00 1.28 0.00 0.00 41.25 44.49 1wyg s ASN 478 CO 0.04 -0.86 1.69 -0.08 -2.04 0.00 0.00 177.10 175.85 1wyg h GLU 479 N 2.61 0.04 -0.19 3.55 4.57 -1.97 0.32 114.58 123.51 1wyg h GLU 479 Ca -0.35 -0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.67 1wyg h GLU 479 Cb 1.25 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1wyg h GLU 479 CO 0.52 0.02 -0.52 1.05 -1.18 0.00 0.00 179.01 178.90 1wyg h GLU 480 N 0.04 0.54 -0.50 1.92 -0.00 -1.96 -2.53 114.58 112.09 1wyg h GLU 480 Ca 0.75 -0.33 -0.12 0.00 -0.00 0.00 0.00 59.36 59.65 1wyg h GLU 480 Cb 2.84 0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 31.61 1wyg h GLU 480 CO -0.09 0.93 -0.18 1.25 -0.00 0.00 0.00 179.01 180.93 1wyg h LEU 481 N 0.42 1.02 -0.29 3.06 6.46 -0.61 -1.11 115.31 124.26 1wyg h LEU 481 Ca 0.01 -0.37 0.05 0.00 -0.12 0.00 0.00 57.88 57.46 1wyg h LEU 481 Cb 1.05 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 40.66 1wyg h LEU 481 CO 0.10 1.16 -0.01 0.25 -0.62 0.00 0.00 178.44 179.32 1wyg h LEU 482 N 0.87 -0.14 -1.13 2.25 6.46 -1.32 0.32 115.31 122.61 1wyg h LEU 482 Ca 0.12 0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.89 1wyg h LEU 482 Cb 0.75 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.79 1wyg h LEU 482 CO 0.06 -0.03 -0.02 1.56 -0.62 0.00 0.00 178.44 179.39 1wyg h GLN 483 N 0.07 0.58 0.02 1.25 1.08 -1.24 -1.92 115.11 114.96 1wyg h GLN 483 Ca 0.14 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1wyg h GLN 483 Cb 0.19 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1wyg h GLN 483 CO -0.25 0.62 -0.01 1.03 -0.95 0.00 0.00 178.83 179.27 1wyg h SER 484 N 0.55 -0.03 0.52 1.46 0.87 -0.01 -2.33 113.55 114.58 1wyg h SER 484 Ca 0.11 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 1wyg h SER 484 Cb 0.38 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1wyg h SER 484 CO 0.02 0.14 -0.25 0.58 -0.53 0.00 0.00 176.83 176.79 1wyg h VAL 485 N -0.20 0.37 -0.67 2.23 2.07 -0.87 -1.44 116.25 117.74 1wyg h VAL 485 Ca -0.00 -0.38 0.14 0.00 0.82 0.00 0.00 66.70 67.28 1wyg h VAL 485 Cb 0.18 0.50 -0.12 0.00 -1.52 0.00 0.00 31.29 30.33 1wyg h VAL 485 CO 0.01 0.05 -0.10 0.00 0.02 0.00 0.00 177.57 177.54 1wyg h ALA 487 N 1.65 1.31 -0.00 0.00 0.00 -1.42 0.62 119.26 121.41 1wyg h ALA 487 Ca 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wyg h ALA 487 Cb 0.54 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wyg h ALA 487 CO -0.65 0.53 -0.00 0.78 0.00 0.00 0.00 179.25 179.91 1wyg h GLY 488 N 0.99 0.01 0.74 0.00 0.00 0.11 -2.37 103.07 102.55 1wyg h GLY 488 Ca 0.22 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.56 1wyg h GLY 488 CO -0.03 0.01 -0.12 1.41 0.00 0.00 0.00 176.54 177.81 1wyg h LEU 489 N -0.47 -0.34 -1.66 3.11 3.38 0.58 0.39 115.31 120.30 1wyg h LEU 489 Ca 0.00 0.05 0.26 0.00 0.09 0.00 0.00 57.88 58.28 1wyg h LEU 489 Cb 0.48 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 1wyg h LEU 489 CO 0.00 -0.18 0.67 0.00 0.09 0.00 0.00 178.44 179.03 1wyg h ALA 490 N 0.70 2.51 0.04 1.53 0.00 -0.89 0.39 119.26 123.54 1wyg h ALA 490 Ca 0.03 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1wyg h ALA 490 Cb 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1wyg h ALA 490 CO -0.09 -0.84 -0.95 1.49 0.00 0.00 0.00 179.25 178.85 1wyg h GLU 491 N 0.24 0.09 -0.22 0.00 4.81 -0.66 -3.35 114.58 115.49 1wyg h GLU 491 Ca 0.52 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 59.47 1wyg h GLU 491 Cb 1.58 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.01 1wyg h GLU 491 CO -0.15 1.07 -0.42 1.49 -0.73 0.00 0.00 179.01 180.27 1wyg h GLU 492 N -0.76 0.52 -1.93 1.92 4.81 0.33 -3.29 114.58 116.18 1wyg h GLU 492 Ca -0.23 -0.27 -0.71 0.00 -0.13 0.00 0.00 59.36 58.01 1wyg h GLU 492 Cb 1.38 0.01 -0.32 0.00 0.63 0.00 0.00 28.75 30.44 1wyg h GLU 492 CO -0.06 0.85 0.43 1.28 -0.73 0.00 0.00 179.01 180.78 1wyg n LEU 493 N -4.02 6.49 -4.88 1.64 4.77 0.13 -5.02 117.00 116.11 1wyg n LEU 493 Ca -0.02 -5.10 -0.30 0.00 -0.03 0.00 0.00 56.01 50.57 1wyg n LEU 493 Cb 0.52 -0.88 -0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1wyg n LEU 493 CO 0.45 1.98 0.59 0.00 -1.33 0.00 0.00 177.39 179.09 1wyg s GLN 494 N -3.92 3.63 0.09 3.23 0.00 -1.24 -4.85 119.66 116.59 1wyg s GLN 494 Ca 0.49 0.55 0.08 0.00 -0.00 0.00 0.00 55.36 56.48 1wyg s GLN 494 Cb 0.38 -2.22 -0.03 0.00 0.00 0.00 0.00 33.01 31.14 1wyg s GLN 494 CO -0.29 -0.37 -0.22 -0.51 0.00 0.00 0.00 175.29 173.91 1wyg s LEU 495 N -4.81 2.27 -0.03 2.60 1.43 -1.26 -5.10 118.68 113.78 1wyg s LEU 495 Ca 0.52 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.67 1wyg s LEU 495 Cb -0.11 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 1wyg s LEU 495 CO 0.47 0.10 1.24 0.00 0.23 0.00 0.00 176.35 178.39 1wyg s ALA 496 N -1.06 3.50 0.46 4.21 0.00 -1.26 -4.87 121.76 122.74 1wyg s ALA 496 Ca 0.07 0.70 0.29 0.00 0.00 0.00 0.00 51.96 53.02 1wyg s ALA 496 Cb -0.10 -3.52 1.36 0.00 0.00 0.00 0.00 23.12 20.86 1wyg s ALA 496 CO 0.04 -0.76 1.73 -1.35 0.00 0.00 0.00 175.76 175.43 1wyg h PRO 497 N 7.46 0.17 -0.75 0.00 0.11 -1.99 1.61 132.00 138.61 1wyg h PRO 497 Ca -0.36 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 1wyg h PRO 497 Cb 1.17 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1wyg h PRO 497 CO 0.88 0.11 0.07 -0.40 -0.21 0.00 0.00 178.00 178.45 1wyg n ASP 498 N -4.46 4.23 -4.77 -2.05 5.68 -1.26 -4.71 116.55 109.21 1wyg n ASP 498 Ca 0.29 -2.72 -0.36 0.00 -0.50 0.00 0.00 54.79 51.50 1wyg n ASP 498 Cb 1.19 -0.65 -0.01 0.00 -1.14 0.00 0.00 41.12 40.52 1wyg n ASP 498 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wyg s ALA 499 N -2.25 2.89 0.63 2.12 0.00 0.55 -4.57 121.76 121.12 1wyg s ALA 499 Ca 0.39 0.86 -0.18 0.00 0.00 0.00 0.00 51.96 53.02 1wyg s ALA 499 Cb 0.30 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 1wyg s ALA 499 CO 0.11 -0.64 1.25 -0.35 0.00 0.00 0.00 175.76 176.13 1wyg n PRO 500 N -0.75 1.14 0.00 0.00 -0.04 -1.26 -2.89 135.00 131.20 1wyg n PRO 500 Ca 0.09 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1wyg n PRO 500 Cb 0.49 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1wyg n PRO 500 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wyg n GLY 501 N 0.97 2.40 7.00 0.55 0.00 -1.26 -4.97 105.19 109.87 1wyg n GLY 501 Ca 0.15 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1wyg n GLY 501 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wyg n GLY 502 N 0.00 -0.98 3.59 -0.02 0.00 -1.14 -4.93 105.19 101.71 1wyg n GLY 502 Ca 0.00 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 1wyg n GLY 502 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wyg n MET 503 N 0.00 -3.14 -0.18 1.61 2.81 -1.26 -4.86 117.12 112.09 1wyg n MET 503 Ca 0.00 0.40 -0.12 0.00 -1.81 0.00 0.00 57.70 56.17 1wyg n MET 503 Cb 0.00 -5.09 -0.07 0.00 -0.71 0.00 0.00 33.22 27.35 1wyg n MET 503 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 1wyg h VAL 504 N -1.03 0.03 0.19 2.03 -1.51 -1.92 -1.78 116.25 112.28 1wyg h VAL 504 Ca -0.45 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.03 1wyg h VAL 504 Cb 1.30 0.03 -0.04 0.00 -2.13 0.00 0.00 31.29 30.45 1wyg h VAL 504 CO 0.58 0.00 -0.43 -0.33 -1.23 0.00 0.00 177.57 176.16 1wyg h GLU 505 N -0.30 -0.69 -0.89 5.19 5.08 -1.89 -2.20 114.58 118.88 1wyg h GLU 505 Ca 0.12 0.05 0.21 0.00 -1.00 0.00 0.00 59.36 58.74 1wyg h GLU 505 Cb 0.57 0.16 -0.12 0.00 0.50 0.00 0.00 28.75 29.85 1wyg h GLU 505 CO -0.66 -0.46 0.39 0.35 -1.00 0.00 0.00 179.01 177.64 1wyg h PHE 506 N -0.71 0.65 -0.24 4.33 3.57 -1.87 -0.04 116.94 122.64 1wyg h PHE 506 Ca 0.00 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1wyg h PHE 506 Cb 0.71 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1wyg h PHE 506 CO -0.34 -0.03 -0.06 0.00 -2.23 0.00 0.00 178.31 175.65 1wyg h ARG 507 N 0.42 0.46 0.10 1.11 3.08 -0.97 -2.28 114.38 116.30 1wyg h ARG 507 Ca 0.55 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.44 1wyg h ARG 507 Cb 1.02 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 1wyg h ARG 507 CO -0.51 0.69 -0.19 0.00 -1.07 0.00 0.00 179.97 178.89 1wyg h ARG 508 N 0.19 -0.35 -0.94 0.04 3.08 -0.66 -1.50 114.38 114.25 1wyg h ARG 508 Ca 0.06 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.34 1wyg h ARG 508 Cb 0.53 0.08 -0.12 0.00 0.08 0.00 0.00 29.97 30.54 1wyg h ARG 508 CO 0.02 -0.24 0.51 1.15 -1.07 0.00 0.00 179.97 180.34 1wyg h THR 509 N -0.37 0.58 -0.60 2.04 2.02 -1.01 -1.04 112.91 114.54 1wyg h THR 509 Ca 0.03 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1wyg h THR 509 Cb 0.39 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1wyg h THR 509 CO -0.11 0.10 0.17 -0.07 0.37 0.00 0.00 175.52 175.98 1wyg h LEU 510 N 0.57 0.89 -1.19 2.58 3.38 -0.69 0.95 115.31 121.79 1wyg h LEU 510 Ca 0.57 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.36 1wyg h LEU 510 Cb 1.01 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1wyg h LEU 510 CO -0.45 0.87 0.56 0.71 0.09 0.00 0.00 178.44 180.22 1wyg h THR 511 N 0.86 1.13 0.03 0.22 1.35 -0.40 0.45 112.91 116.55 1wyg h THR 511 Ca 0.19 -0.36 -0.12 0.00 -0.55 0.00 0.00 66.41 65.57 1wyg h THR 511 Cb 0.31 -0.00 0.01 0.00 -1.73 0.00 0.00 68.15 66.74 1wyg h THR 511 CO -0.00 0.19 -0.50 -0.07 -0.25 0.00 0.00 175.52 174.89 1wyg h LEU 512 N 1.04 0.38 -1.74 3.87 3.38 -1.08 -2.82 115.31 118.35 1wyg h LEU 512 Ca 0.34 -0.83 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1wyg h LEU 512 Cb 0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1wyg h LEU 512 CO -0.10 1.17 -0.11 0.28 0.09 0.00 0.00 178.44 179.76 1wyg h SER 513 N -0.35 0.02 0.01 -0.43 0.02 0.14 0.11 113.55 113.05 1wyg h SER 513 Ca -0.07 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1wyg h SER 513 Cb 1.27 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1wyg h SER 513 CO 0.10 0.14 -0.00 -0.26 -1.14 0.00 0.00 176.83 175.66 1wyg h PHE 514 N 0.02 -0.01 -0.71 3.45 0.04 -0.16 -2.39 116.94 117.18 1wyg h PHE 514 Ca 0.00 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.83 1wyg h PHE 514 Cb 0.22 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.31 1wyg h PHE 514 CO 0.00 0.54 0.41 0.35 -0.60 0.00 0.00 178.31 179.00 1wyg h PHE 515 N -0.55 0.75 -0.60 -0.55 3.57 -1.17 -0.34 116.94 118.05 1wyg h PHE 515 Ca -0.00 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.62 1wyg h PHE 515 Cb 0.55 -0.23 -0.08 0.00 2.79 0.00 0.00 35.95 38.98 1wyg h PHE 515 CO 0.12 0.36 0.20 0.35 -2.23 0.00 0.00 178.31 177.11 1wyg h PHE 516 N 0.75 0.34 -0.38 0.41 3.57 -0.74 0.55 116.94 121.44 1wyg h PHE 516 Ca 0.32 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.80 1wyg h PHE 516 Cb 0.18 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1wyg h PHE 516 CO -0.07 0.06 0.03 0.87 -2.23 0.00 0.00 178.31 176.97 1wyg h LYS 517 N 0.36 0.58 0.01 1.11 1.57 -0.69 -0.02 116.57 119.50 1wyg h LYS 517 Ca 0.31 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1wyg h LYS 517 Cb 0.40 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1wyg h LYS 517 CO -0.33 0.59 -0.01 0.35 -0.57 0.00 0.00 179.45 179.48 1wyg h PHE 518 N 0.56 -0.02 -0.07 -1.35 3.57 0.75 0.18 116.94 120.56 1wyg h PHE 518 Ca 0.12 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.66 1wyg h PHE 518 Cb 0.32 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 1wyg h PHE 518 CO 0.01 0.27 -0.18 -0.92 -2.23 0.00 0.00 178.31 175.26 1wyg h TYR 519 N -0.30 -0.48 -0.19 0.41 3.20 0.36 0.72 116.97 120.68 1wyg h TYR 519 Ca -0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1wyg h TYR 519 Cb 0.29 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1wyg h TYR 519 CO 0.02 -0.26 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.17 1wyg h LEU 520 N -0.26 0.26 0.15 2.82 3.38 -0.96 -1.90 115.31 118.80 1wyg h LEU 520 Ca 0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1wyg h LEU 520 Cb 0.37 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1wyg h LEU 520 CO -0.22 0.36 -0.07 0.74 0.09 0.00 0.00 178.44 179.33 1wyg h THR 521 N 0.28 0.98 -0.64 0.22 2.02 0.57 -2.96 112.91 113.38 1wyg h THR 521 Ca 0.06 -1.05 0.13 0.00 0.77 0.00 0.00 66.41 66.33 1wyg h THR 521 Cb 0.27 1.58 -0.10 0.00 -1.74 0.00 0.00 68.15 68.15 1wyg h THR 521 CO 0.01 0.23 0.07 0.58 0.37 0.00 0.00 175.52 176.78 1wyg h VAL 522 N -0.75 0.52 -0.27 3.16 2.07 0.57 -0.67 116.25 120.88 1wyg h VAL 522 Ca -0.02 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.50 1wyg h VAL 522 Cb 0.52 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 1wyg h VAL 522 CO 0.03 0.03 -0.31 -0.07 0.02 0.00 0.00 177.57 177.28 1wyg h LEU 523 N 0.18 -1.00 -1.11 2.57 3.38 -1.36 0.22 115.31 118.20 1wyg h LEU 523 Ca 0.35 0.16 0.15 0.00 0.09 0.00 0.00 57.88 58.63 1wyg h LEU 523 Cb 0.56 0.45 -0.09 0.00 0.09 0.00 0.00 40.66 41.68 1wyg h LEU 523 CO -0.50 -0.33 0.61 1.56 0.09 0.00 0.00 178.44 179.87 1wyg h GLN 524 N -0.31 0.79 -0.16 1.13 4.20 -0.99 0.28 115.11 120.07 1wyg h GLN 524 Ca 0.14 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 1wyg h GLN 524 Cb 0.53 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1wyg h GLN 524 CO -0.44 0.53 -0.54 0.87 -0.67 0.00 0.00 178.83 178.57 1wyg h LYS 525 N 0.82 0.47 -0.14 1.46 1.57 -0.06 -0.89 116.57 119.80 1wyg h LYS 525 Ca 0.51 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1wyg h LYS 525 Cb 0.71 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1wyg h LYS 525 CO -0.28 0.89 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.29 1wyg h LEU 526 N 0.36 0.35 -1.43 2.94 3.38 0.10 -2.83 115.31 118.19 1wyg h LEU 526 Ca 0.01 -0.47 0.09 0.00 0.09 0.00 0.00 57.88 57.59 1wyg h LEU 526 Cb 1.07 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 1wyg h LEU 526 CO 0.10 0.75 0.48 1.23 0.09 0.00 0.00 178.44 181.09 1wyg h GLY 527 N -0.05 0.90 -4.35 0.83 0.00 -0.43 -1.34 103.07 98.64 1wyg h GLY 527 Ca 0.02 -0.27 -0.37 0.00 0.00 0.00 0.00 47.33 46.72 1wyg h GLY 527 CO 0.03 0.17 0.30 -2.13 0.00 0.00 0.00 176.54 174.92 1wyg n ARG 528 N -4.49 2.39 -0.30 4.80 0.63 -0.35 -2.79 116.66 116.55 1wyg n ARG 528 Ca 0.12 -1.72 0.00 0.00 -0.92 0.00 0.00 57.85 55.33 1wyg n ARG 528 Cb 0.31 -2.13 0.00 0.00 0.45 0.00 0.00 32.46 31.08 1wyg n ARG 528 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wyg n ALA 529 N 1.90 1.42 0.00 5.13 0.00 -0.51 -4.94 120.51 123.51 1wyg n ALA 529 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1wyg n ALA 529 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 1wyg n ALA 529 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wyg n ASP 530 N 0.00 0.00 -0.37 0.00 9.92 -1.12 -4.75 116.55 120.23 1wyg n ASP 530 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1wyg n ASP 530 Cb 0.41 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 1wyg n ASP 530 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1wyg n LEU 531 N 0.00 0.17 -0.21 0.64 4.32 -1.24 -3.67 117.00 117.02 1wyg n LEU 531 Ca 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1wyg n LEU 531 Cb 0.00 -0.09 0.08 0.00 -1.62 0.00 0.00 43.42 41.80 1wyg n LEU 531 CO 0.00 0.04 0.79 -0.08 -1.22 0.00 0.00 177.39 176.92 1wyg h GLU 532 N 0.57 0.06 -0.86 3.23 4.57 -1.69 -1.24 114.58 119.20 1wyg h GLU 532 Ca 0.00 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1wyg h GLU 532 Cb 0.09 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 1wyg h GLU 532 CO 0.00 0.04 0.57 -0.44 -1.18 0.00 0.00 179.01 178.00 1wyg h ASP 533 N 0.06 0.99 -0.21 1.04 3.45 -1.93 0.65 116.42 120.46 1wyg h ASP 533 Ca 0.31 -0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.68 1wyg h ASP 533 Cb 0.50 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 39.02 1wyg h ASP 533 CO -0.58 0.71 -0.14 0.24 -1.57 0.00 0.00 179.24 177.90 1wyg h MET 534 N 1.16 0.47 0.01 3.56 2.86 -1.57 -3.24 114.93 118.18 1wyg h MET 534 Ca 0.32 -0.22 -0.21 0.00 -2.06 0.00 0.00 59.70 57.53 1wyg h MET 534 Cb -0.12 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 1wyg h MET 534 CO -0.07 0.77 -0.98 0.00 1.06 0.00 0.00 176.91 177.69 1wyg h ALA 535 N 0.69 0.39 -0.08 6.32 0.00 -1.19 -3.50 119.26 121.89 1wyg h ALA 535 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1wyg h ALA 535 Cb 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wyg h ALA 535 CO 0.04 1.18 0.00 0.41 0.00 0.00 0.00 179.25 180.88 1wyg n GLY 536 N 1.26 -0.72 3.38 0.00 0.00 0.22 -4.99 105.19 104.35 1wyg n GLY 536 Ca -0.01 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 1wyg n GLY 536 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wyg n LYS 537 N 1.38 0.28 -3.95 1.61 5.02 -1.25 -4.96 118.16 116.29 1wyg n LYS 537 Ca 0.00 0.12 -0.33 0.00 -2.02 0.00 0.00 58.31 56.08 1wyg n LYS 537 Cb 0.00 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.45 1wyg n LYS 537 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1wyg s LEU 538 N 2.04 4.24 0.12 -0.35 2.96 -1.26 -5.04 118.68 121.39 1wyg s LEU 538 Ca 0.63 0.27 -0.31 0.00 -0.22 0.00 0.00 54.13 54.49 1wyg s LEU 538 Cb -0.41 -2.60 -0.11 0.00 0.50 0.00 0.00 46.19 43.57 1wyg s LEU 538 CO 0.60 0.24 1.83 -0.67 -1.32 0.00 0.00 176.35 177.04 1wyg n ASP 539 N 0.83 4.01 0.00 3.68 -0.08 -1.26 -4.82 116.55 118.91 1wyg n ASP 539 Ca -0.10 0.99 0.01 0.00 -1.51 0.00 0.00 54.79 54.19 1wyg n ASP 539 Cb 0.52 -1.54 0.09 0.00 2.34 0.00 0.00 41.12 42.53 1wyg n ASP 539 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1wyg n PRO 540 N 5.55 0.17 -0.05 -0.67 -0.04 -1.26 -0.85 135.00 137.85 1wyg n PRO 540 Ca 0.18 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.68 1wyg n PRO 540 Cb 0.37 -1.28 0.06 0.00 -0.04 0.00 0.00 33.50 32.61 1wyg n PRO 540 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wyg n THR 541 N -0.78 0.40 0.50 0.52 -2.24 -1.26 -4.36 114.28 107.06 1wyg n THR 541 Ca 0.02 -0.70 0.06 0.00 -2.27 0.00 0.00 64.05 61.16 1wyg n THR 541 Cb 0.01 0.90 -0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1wyg n THR 541 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1wyg n PHE 542 N 0.33 0.00 0.18 4.78 3.01 -0.03 -1.21 117.46 124.52 1wyg n PHE 542 Ca 0.06 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.37 1wyg n PHE 542 Cb 0.26 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.65 1wyg n PHE 542 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wyg h ALA 543 N 1.96 -0.44 -0.36 4.37 0.00 -1.75 -2.84 119.26 120.20 1wyg h ALA 543 Ca 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.87 1wyg h ALA 543 Cb 0.39 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1wyg h ALA 543 CO 0.00 -0.66 0.55 0.66 0.00 0.00 0.00 179.25 179.79 1wyg h SER 544 N -0.61 0.00 0.28 0.00 4.64 -1.88 0.23 113.55 116.21 1wyg h SER 544 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1wyg h SER 544 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1wyg h SER 544 CO 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 1wyg n ALA 545 N -2.16 1.86 0.18 5.18 0.00 -1.07 -2.63 120.51 121.87 1wyg n ALA 545 Ca 0.07 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1wyg n ALA 545 Cb 0.70 -1.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 1wyg n ALA 545 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wyg n THR 546 N -1.28 0.00 -1.74 0.00 -2.24 0.80 -4.81 114.28 105.01 1wyg n THR 546 Ca 0.07 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1wyg n THR 546 Cb 0.12 0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1wyg n THR 546 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wyg n LEU 547 N -1.75 4.19 -4.88 3.22 4.77 -1.08 -5.01 117.00 116.47 1wyg n LEU 547 Ca -0.01 1.22 -0.30 0.00 -0.03 0.00 0.00 56.01 56.89 1wyg n LEU 547 Cb 0.30 -1.55 -0.01 0.00 -2.33 0.00 0.00 43.42 39.82 1wyg n LEU 547 CO 0.27 -0.16 0.57 -0.76 -1.33 0.00 0.00 177.39 175.97 1wyg s LEU 548 N -1.57 3.55 0.09 2.23 1.43 -1.26 -4.96 118.68 118.19 1wyg s LEU 548 Ca 0.54 1.23 -0.36 0.00 -1.03 0.00 0.00 54.13 54.51 1wyg s LEU 548 Cb -0.52 -4.19 -0.16 0.00 0.03 0.00 0.00 46.19 41.35 1wyg s LEU 548 CO 0.63 -0.63 1.46 0.33 0.23 0.00 0.00 176.35 178.37 1wyg n PHE 549 N -2.08 1.82 -4.51 0.29 7.35 -1.26 -4.97 117.46 114.11 1wyg n PHE 549 Ca 0.04 0.49 -0.34 0.00 -0.76 0.00 0.00 57.45 56.88 1wyg n PHE 549 Cb 0.54 -2.42 -0.12 0.00 0.35 0.00 0.00 39.48 37.84 1wyg n PHE 549 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 1wyg s GLN 550 N 0.87 3.26 0.00 -4.13 2.00 -1.26 -5.08 119.66 115.32 1wyg s GLN 550 Ca 0.83 -0.53 0.00 0.00 -2.00 0.00 0.00 55.36 53.66 1wyg s GLN 550 Cb -0.86 -2.77 0.00 0.00 0.80 0.00 0.00 33.01 30.19 1wyg s GLN 550 CO 0.45 0.44 0.00 1.63 -0.50 0.00 0.00 175.29 177.30 1wyg n LYS 551 N 2.93 0.00 -0.67 1.67 4.76 -1.26 -5.08 118.16 120.51 1wyg n LYS 551 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 1wyg n LYS 551 Cb 0.53 -0.32 0.00 0.00 -1.84 0.00 0.00 35.03 33.40 1wyg n LYS 551 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1wyg n ASP 552 N 0.00 -1.23 -4.61 4.39 2.03 -1.26 -5.02 116.55 110.85 1wyg n ASP 552 Ca 0.00 0.00 -0.46 0.00 0.52 0.00 0.00 54.79 54.85 1wyg n ASP 552 Cb 0.00 -0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 39.76 1wyg n ASP 552 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wyg n PRO 553 N 1.01 1.49 -0.86 -0.67 -0.04 -1.26 -4.99 135.00 129.68 1wyg n PRO 553 Ca 0.00 0.53 -0.30 0.00 -0.04 0.00 0.00 63.50 63.68 1wyg n PRO 553 Cb 0.00 -2.01 0.16 0.00 -0.04 0.00 0.00 33.50 31.62 1wyg n PRO 553 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1wyg s PRO 554 N -1.01 0.95 -0.37 0.54 0.02 -1.26 -4.95 135.00 128.92 1wyg s PRO 554 Ca 0.65 1.24 0.06 0.00 0.02 0.00 0.00 61.00 62.97 1wyg s PRO 554 Cb -0.73 -1.74 0.18 0.00 0.02 0.00 0.00 34.50 32.23 1wyg s PRO 554 CO 0.56 -2.58 0.55 0.00 -0.33 0.00 0.00 177.00 175.21 1wyg s ALA 555 N -2.71 -1.89 0.23 -1.55 0.00 -0.92 -5.01 121.76 109.90 1wyg s ALA 555 Ca 0.65 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1wyg s ALA 555 Cb -0.21 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 1wyg s ALA 555 CO 0.59 -2.11 0.39 -0.80 0.00 0.00 0.00 175.76 173.83 1wyg s ASN 556 N 1.97 6.34 -0.25 0.00 0.01 -1.26 -3.47 114.94 118.28 1wyg s ASN 556 Ca 0.15 0.25 -0.03 0.00 -0.71 0.00 0.00 52.86 52.52 1wyg s ASN 556 Cb -0.08 -1.94 0.14 0.00 0.41 0.00 0.00 41.25 39.78 1wyg s ASN 556 CO -0.11 -0.08 0.42 -0.69 -1.51 0.00 0.00 177.10 175.13 1wyg s VAL 557 N -1.96 -0.67 -0.07 1.60 1.01 -0.47 -4.98 120.40 114.86 1wyg s VAL 557 Ca 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 1wyg s VAL 557 Cb -0.10 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1wyg s VAL 557 CO 0.30 -0.09 0.07 -1.10 0.00 0.00 0.00 175.10 174.29 1wyg s GLN 558 N 2.60 3.16 -0.03 2.72 1.11 -1.26 -1.13 119.66 126.84 1wyg s GLN 558 Ca 0.13 -0.34 -0.01 0.00 0.01 0.00 0.00 55.36 55.15 1wyg s GLN 558 Cb -0.15 -2.94 0.03 0.00 -1.01 0.00 0.00 33.01 28.94 1wyg s GLN 558 CO -0.16 0.71 0.05 -0.51 0.01 0.00 0.00 175.29 175.39 1wyg s LEU 559 N -1.19 1.09 0.25 2.90 1.43 -0.05 -4.96 118.68 118.15 1wyg s LEU 559 Ca 0.17 0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.26 1wyg s LEU 559 Cb -0.12 0.02 -0.01 0.00 0.03 0.00 0.00 46.19 46.11 1wyg s LEU 559 CO 0.06 -0.12 0.41 0.72 0.23 0.00 0.00 176.35 177.65 1wyg s PHE 560 N 0.99 0.60 0.49 0.29 -0.12 -1.26 -0.67 117.98 118.29 1wyg s PHE 560 Ca -0.08 -0.92 -0.13 0.00 -0.05 0.00 0.00 56.93 55.75 1wyg s PHE 560 Cb -0.11 0.01 -0.06 0.00 -0.63 0.00 0.00 43.02 42.22 1wyg s PHE 560 CO -0.03 -0.94 0.90 -1.14 -0.05 0.00 0.00 175.22 173.96 1wyg s GLN 561 N -3.94 3.80 0.08 1.99 0.74 -1.26 -4.41 119.66 116.66 1wyg s GLN 561 Ca 0.27 0.68 -0.11 0.00 0.05 0.00 0.00 55.36 56.25 1wyg s GLN 561 Cb 0.01 -2.24 -0.06 0.00 1.10 0.00 0.00 33.01 31.82 1wyg s GLN 561 CO 0.11 -0.22 0.43 -2.00 -0.55 0.00 0.00 175.29 173.05 1wyg s GLU 562 N -4.20 3.82 0.61 1.67 2.56 -1.26 -4.95 118.70 116.96 1wyg s GLU 562 Ca 0.55 0.27 -0.18 0.00 0.00 0.00 0.00 54.97 55.61 1wyg s GLU 562 Cb -0.10 -3.03 -0.02 0.00 2.00 0.00 0.00 34.13 32.98 1wyg s GLU 562 CO 0.36 0.57 1.17 0.14 -0.56 0.00 0.00 175.26 176.93 1wyg s VAL 563 N -1.35 2.85 0.60 3.70 -7.23 -1.26 -4.90 120.40 112.80 1wyg s VAL 563 Ca 0.32 0.48 -0.18 0.00 -1.81 0.00 0.00 61.98 60.79 1wyg s VAL 563 Cb -0.15 -3.11 -0.13 0.00 0.56 0.00 0.00 36.38 33.56 1wyg s VAL 563 CO 0.17 -0.16 -0.01 -2.65 -0.31 0.00 0.00 175.10 172.14 1wyg n PRO 564 N -1.86 0.12 0.12 4.82 -0.02 -1.26 -4.77 135.00 132.15 1wyg n PRO 564 Ca 0.12 0.05 0.17 0.00 -2.02 0.00 0.00 63.50 61.82 1wyg n PRO 564 Cb 0.51 -1.22 0.72 0.00 -0.02 0.00 0.00 33.50 33.48 1wyg n PRO 564 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1wyg h LYS 565 N -0.12 0.00 0.04 -0.52 6.56 -2.05 -3.21 116.57 117.27 1wyg h LYS 565 Ca -0.43 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.16 1wyg h LYS 565 Cb 1.41 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.07 1wyg h LYS 565 CO 0.41 0.00 -0.02 -0.44 -2.06 0.00 0.00 179.45 177.34 1wyg h ASP 566 N 0.00 -0.05 0.00 0.86 3.45 -2.02 -3.48 116.42 115.18 1wyg h ASP 566 Ca 0.15 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.61 1wyg h ASP 566 Cb 0.64 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 1wyg h ASP 566 CO -0.00 0.11 0.00 0.00 -1.57 0.00 0.00 179.24 177.77 1wyg n GLN 567 N -2.95 0.00 -1.26 3.56 6.02 -1.22 -4.73 117.38 116.80 1wyg n GLN 567 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 1wyg n GLN 567 Cb 0.02 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.37 1wyg n GLN 567 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1wyg n SER 568 N 0.00 -0.35 0.20 1.08 3.41 -1.26 -4.82 113.62 111.88 1wyg n SER 568 Ca 0.00 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.36 1wyg n SER 568 Cb 0.00 -1.32 0.71 0.00 -0.26 0.00 0.00 64.21 63.34 1wyg n SER 568 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1wyg h GLU 569 N -0.43 0.00 0.00 4.33 4.39 -1.99 -1.17 114.58 119.71 1wyg h GLU 569 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1wyg h GLU 569 Cb 1.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1wyg h GLU 569 CO 0.44 0.00 -0.31 0.93 -1.16 0.00 0.00 179.01 178.91 1wyg h GLU 570 N 0.00 0.00 -5.71 2.33 5.08 -1.99 -3.41 114.58 110.88 1wyg h GLU 570 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 1wyg h GLU 570 Cb 0.13 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.25 1wyg h GLU 570 CO 0.00 0.00 1.15 0.34 -1.00 0.00 0.00 179.01 179.50 1wyg s ASP 571 N -5.36 6.48 0.00 1.42 -1.08 -0.44 -4.58 116.67 113.10 1wyg s ASP 571 Ca 0.06 -1.51 0.30 0.00 -0.52 0.00 0.00 52.55 50.88 1wyg s ASP 571 Cb 0.09 -2.50 1.75 0.00 -1.46 0.00 0.00 42.92 40.80 1wyg s ASP 571 CO 0.69 -1.39 2.11 0.23 0.52 0.00 0.00 175.17 177.33 1wyg n MET 572 N 8.05 0.86 -2.16 4.34 2.81 -1.26 -4.80 117.12 124.95 1wyg n MET 572 Ca 0.24 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.70 1wyg n MET 572 Cb 0.50 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.48 1wyg n MET 572 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1wyg s VAL 573 N -2.09 3.79 0.00 2.03 1.01 -1.26 -1.63 120.40 122.24 1wyg s VAL 573 Ca 0.42 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1wyg s VAL 573 Cb 0.21 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1wyg s VAL 573 CO 0.36 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1wyg n GLY 574 N 4.44 0.88 3.64 4.51 0.00 0.36 -5.00 105.19 114.02 1wyg n GLY 574 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1wyg n GLY 574 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wyg s ARG 575 N -0.94 2.35 -1.29 1.61 0.52 -0.65 -4.51 118.95 116.05 1wyg s ARG 575 Ca 0.00 -1.01 -0.09 0.00 -0.52 0.00 0.00 55.73 54.10 1wyg s ARG 575 Cb 0.00 -2.39 -0.07 0.00 0.52 0.00 0.00 34.95 33.02 1wyg s ARG 575 CO 0.00 0.49 2.51 -0.35 0.02 0.00 0.00 175.30 177.97 1wyg n PRO 576 N 0.32 2.87 -2.62 3.54 -0.04 -1.26 -4.03 135.00 133.78 1wyg n PRO 576 Ca -0.11 -1.93 -0.43 0.00 -0.04 0.00 0.00 63.50 60.99 1wyg n PRO 576 Cb 0.53 -2.72 -0.02 0.00 -0.04 0.00 0.00 33.50 31.26 1wyg n PRO 576 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1wyg s LEU 577 N 0.39 4.13 0.48 1.53 2.96 -1.26 -4.82 118.68 122.09 1wyg s LEU 577 Ca 0.55 1.46 -0.23 0.00 -0.22 0.00 0.00 54.13 55.69 1wyg s LEU 577 Cb 0.14 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.21 1wyg s LEU 577 CO -0.04 -0.67 1.12 -2.65 -1.32 0.00 0.00 176.35 172.79 1wyg n PRO 578 N 6.23 1.44 -1.67 0.98 -0.02 -1.26 -4.78 135.00 135.93 1wyg n PRO 578 Ca 0.12 0.53 -0.55 0.00 -2.02 0.00 0.00 63.50 61.58 1wyg n PRO 578 Cb 0.46 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 1wyg n PRO 578 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1wyg n HIS 579 N -0.80 1.92 -0.41 6.00 -0.00 -1.26 -4.80 115.22 115.86 1wyg n HIS 579 Ca 0.10 0.51 0.35 0.00 -0.00 0.00 0.00 57.72 58.68 1wyg n HIS 579 Cb 0.42 -2.44 0.67 0.00 -0.00 0.00 0.00 29.99 28.64 1wyg n HIS 579 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1wyg h LEU 580 N 6.51 0.18 -2.04 0.27 3.38 -1.94 0.17 115.31 121.84 1wyg h LEU 580 Ca -0.47 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1wyg h LEU 580 Cb 1.32 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1wyg h LEU 580 CO 0.90 -0.02 0.00 0.00 0.09 0.00 0.00 178.44 179.41 1wyg n ALA 581 N -2.65 2.43 0.04 1.53 0.00 -1.26 -4.60 120.51 116.00 1wyg n ALA 581 Ca 0.31 -0.94 -0.13 0.00 0.00 0.00 0.00 53.44 52.68 1wyg n ALA 581 Cb 1.30 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 19.73 1wyg n ALA 581 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wyg h ALA 582 N 4.21 -0.61 -0.75 0.00 0.00 -1.00 0.93 119.26 122.04 1wyg h ALA 582 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1wyg h ALA 582 Cb 0.80 0.73 -0.07 0.00 0.00 0.00 0.00 17.79 19.25 1wyg h ALA 582 CO 0.00 -0.92 0.41 -0.91 0.00 0.00 0.00 179.25 177.83 1wyg h ASN 583 N -0.53 0.59 -0.56 0.00 2.35 -1.81 0.41 115.58 116.03 1wyg h ASN 583 Ca 0.06 0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 1wyg h ASN 583 Cb 0.63 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1wyg h ASN 583 CO -0.33 0.35 -0.09 0.24 -1.65 0.00 0.00 177.43 175.95 1wyg h MET 584 N 0.72 1.04 -0.39 0.81 2.86 -1.76 -0.80 114.93 117.41 1wyg h MET 584 Ca 0.35 -0.37 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 1wyg h MET 584 Cb 0.30 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1wyg h MET 584 CO -0.23 1.07 -0.23 1.96 1.06 0.00 0.00 176.91 180.54 1wyg h GLN 585 N 0.93 0.85 0.00 1.72 4.20 -0.22 0.12 115.11 122.71 1wyg h GLN 585 Ca 0.15 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1wyg h GLN 585 Cb 0.65 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1wyg h GLN 585 CO 0.05 1.03 -0.04 0.00 -0.67 0.00 0.00 178.83 179.19 1wyg h ALA 586 N 0.80 1.05 -0.00 3.87 0.00 0.05 -2.99 119.26 122.04 1wyg h ALA 586 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wyg h ALA 586 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1wyg h ALA 586 CO 0.06 0.05 -0.77 -1.13 0.00 0.00 0.00 179.25 177.46 1wyg n SER 587 N -3.21 1.00 0.00 0.00 3.41 -0.33 -4.77 113.62 109.72 1wyg n SER 587 Ca -0.01 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1wyg n SER 587 Cb 0.23 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 1wyg n SER 587 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyg n GLY 588 N 1.40 0.57 0.03 5.00 0.00 -0.52 -4.16 105.19 107.50 1wyg n GLY 588 Ca 0.04 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.75 1wyg n GLY 588 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wyg n GLU 589 N -2.78 0.65 -1.82 1.61 1.02 -0.09 -4.05 120.64 115.19 1wyg n GLU 589 Ca 0.00 -0.14 -0.41 0.00 -0.02 0.00 0.00 57.16 56.59 1wyg n GLU 589 Cb 0.00 -1.57 -0.01 0.00 -0.02 0.00 0.00 31.44 29.84 1wyg n GLU 589 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wyg s ALA 590 N -3.48 3.61 -0.14 0.62 0.00 -0.62 -4.95 121.76 116.79 1wyg s ALA 590 Ca -0.07 1.56 -0.07 0.00 0.00 0.00 0.00 51.96 53.38 1wyg s ALA 590 Cb 0.13 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1wyg s ALA 590 CO 0.89 -1.02 0.09 0.08 0.00 0.00 0.00 175.76 175.80 1wyg s VAL 591 N -0.89 5.06 0.08 0.00 1.01 -1.26 -4.93 120.40 119.47 1wyg s VAL 591 Ca 0.55 0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.67 1wyg s VAL 591 Cb -0.46 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1wyg s VAL 591 CO 0.59 0.54 -0.24 -0.31 0.00 0.00 0.00 175.10 175.68 1wyg s TYR 592 N -0.38 2.38 0.03 5.22 1.51 -1.26 -4.70 117.35 120.14 1wyg s TYR 592 Ca 0.10 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.75 1wyg s TYR 592 Cb -0.12 -1.35 -0.01 0.00 -0.11 0.00 0.00 41.96 40.37 1wyg s TYR 592 CO 0.02 0.25 0.29 0.00 -1.11 0.00 0.00 175.55 174.99 1wyg n ASP 594 N -3.77 0.00 0.09 0.00 2.03 -1.26 -2.20 116.55 111.44 1wyg n ASP 594 Ca 0.00 0.47 -0.04 0.00 0.52 0.00 0.00 54.79 55.73 1wyg n ASP 594 Cb 0.04 -0.48 -0.04 0.00 -0.72 0.00 0.00 41.12 39.92 1wyg n ASP 594 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1wyg h ASP 595 N 0.00 0.00 -2.12 1.67 3.32 0.64 -3.45 116.42 116.48 1wyg h ASP 595 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 1wyg h ASP 595 Cb 0.19 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.79 1wyg h ASP 595 CO 0.00 0.85 0.68 -0.38 -1.72 0.00 0.00 179.24 178.68 1wyg n ILE 596 N -3.40 0.07 -1.17 0.35 5.41 -0.93 -4.90 119.36 114.78 1wyg n ILE 596 Ca 0.00 -0.02 -0.32 0.00 1.00 0.00 0.00 62.75 63.41 1wyg n ILE 596 Cb 0.85 -1.32 0.11 0.00 -0.71 0.00 0.00 39.64 38.58 1wyg n ILE 596 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1wyg s PRO 597 N 0.70 1.82 0.18 0.38 0.04 -1.26 -5.00 135.00 131.86 1wyg s PRO 597 Ca 0.80 1.54 -0.24 0.00 0.04 0.00 0.00 61.00 63.14 1wyg s PRO 597 Cb -0.76 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 31.88 1wyg s PRO 597 CO 0.41 -2.03 0.75 1.03 0.04 0.00 0.00 177.00 177.21 1wyg s ARG 598 N -4.38 4.47 0.57 4.56 0.52 -1.26 -5.04 118.95 118.38 1wyg s ARG 598 Ca 0.68 1.07 -0.18 0.00 -0.52 0.00 0.00 55.73 56.78 1wyg s ARG 598 Cb -0.24 -3.16 -0.05 0.00 0.52 0.00 0.00 34.95 32.02 1wyg s ARG 598 CO 0.51 0.53 1.10 0.71 0.02 0.00 0.00 175.30 178.18 1wyg s TYR 599 N -1.24 2.74 0.21 -0.53 1.51 -1.26 -4.80 117.35 113.98 1wyg s TYR 599 Ca 0.37 1.55 0.33 0.00 -1.01 0.00 0.00 57.07 58.31 1wyg s TYR 599 Cb -0.21 -3.20 1.78 0.00 -0.11 0.00 0.00 41.96 40.22 1wyg s TYR 599 CO 0.24 -1.44 2.01 1.05 -1.11 0.00 0.00 175.55 176.30 1wyg h GLU 600 N 0.90 0.00 0.14 -0.62 4.11 -2.01 -2.57 114.58 114.52 1wyg h GLU 600 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 1wyg h GLU 600 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1wyg h GLU 600 CO 0.57 0.00 -0.07 -0.97 0.07 0.00 0.00 179.01 178.61 1wyg h ASN 601 N 0.00 -0.16 0.00 3.06 -1.24 -1.96 -3.49 115.58 111.79 1wyg h ASN 601 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1wyg h ASN 601 Cb 0.01 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.10 1wyg h ASN 601 CO 0.00 0.07 0.00 -0.62 -1.29 0.00 0.00 177.43 175.59 1wyg n GLU 602 N -3.57 0.00 -4.28 6.67 1.02 -0.97 -4.79 120.64 114.72 1wyg n GLU 602 Ca -0.02 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.87 1wyg n GLU 602 Cb 0.08 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.42 1wyg n GLU 602 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wyg s LEU 603 N 0.00 3.18 -0.05 -4.62 1.43 0.14 -4.92 118.68 113.85 1wyg s LEU 603 Ca 0.00 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1wyg s LEU 603 Cb 0.00 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1wyg s LEU 603 CO 0.00 0.04 0.09 -0.44 0.23 0.00 0.00 176.35 176.27 1wyg s SER 604 N -3.38 5.82 0.08 2.29 0.01 0.24 -1.64 113.70 117.12 1wyg s SER 604 Ca 0.29 0.24 0.10 0.00 1.31 0.00 0.00 55.95 57.89 1wyg s SER 604 Cb -0.07 -1.74 -0.03 0.00 0.21 0.00 0.00 66.02 64.39 1wyg s SER 604 CO 0.19 0.32 -0.26 -0.22 0.41 0.00 0.00 173.24 173.69 1wyg s LEU 605 N -1.43 2.23 -0.05 2.44 0.20 -0.92 -1.01 118.68 120.14 1wyg s LEU 605 Ca 0.20 -0.64 -0.02 0.00 0.69 0.00 0.00 54.13 54.36 1wyg s LEU 605 Cb -0.12 -1.20 0.03 0.00 -0.43 0.00 0.00 46.19 44.47 1wyg s LEU 605 CO 0.10 0.21 0.08 -0.60 -0.29 0.00 0.00 176.35 175.84 1wyg s ARG 606 N -1.54 -0.05 0.64 1.98 3.52 -0.33 -4.71 118.95 118.46 1wyg s ARG 606 Ca 0.12 0.39 -0.18 0.00 -0.13 0.00 0.00 55.73 55.93 1wyg s ARG 606 Cb -0.10 -0.44 -0.01 0.00 -1.56 0.00 0.00 34.95 32.84 1wyg s ARG 606 CO 0.03 -0.31 1.22 -0.51 -0.81 0.00 0.00 175.30 174.92 1wyg s LEU 607 N 2.07 3.56 -0.28 -0.88 1.43 -1.26 -0.83 118.68 122.49 1wyg s LEU 607 Ca 0.03 2.40 0.02 0.00 -1.03 0.00 0.00 54.13 55.55 1wyg s LEU 607 Cb -0.12 -4.60 0.08 0.00 0.03 0.00 0.00 46.19 41.58 1wyg s LEU 607 CO -0.04 -1.82 -0.02 -0.69 0.23 0.00 0.00 176.35 174.01 1wyg s VAL 608 N -1.69 1.83 0.19 -1.59 1.01 -0.90 -4.85 120.40 114.41 1wyg s VAL 608 Ca 0.77 -1.65 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1wyg s VAL 608 Cb -0.31 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1wyg s VAL 608 CO 0.37 -0.28 0.32 0.42 0.00 0.00 0.00 175.10 175.93 1wyg s THR 609 N 1.21 5.30 0.54 3.92 -4.23 -1.26 -0.11 115.64 121.00 1wyg s THR 609 Ca -0.00 -0.81 -0.18 0.00 -1.18 0.00 0.00 61.69 59.51 1wyg s THR 609 Cb -0.19 -3.79 -0.06 0.00 1.34 0.00 0.00 72.50 69.79 1wyg s THR 609 CO -0.08 -0.20 1.05 -0.94 -0.54 0.00 0.00 174.62 173.91 1wyg s SER 610 N -3.56 6.06 -0.06 3.99 1.04 0.26 -4.81 113.70 116.62 1wyg s SER 610 Ca 0.34 1.89 0.13 0.00 0.48 0.00 0.00 55.95 58.80 1wyg s SER 610 Cb -0.10 -2.55 0.40 0.00 0.10 0.00 0.00 66.02 63.87 1wyg s SER 610 CO 0.29 -0.98 1.33 0.35 0.98 0.00 0.00 173.24 175.21 1wyg n THR 611 N -1.46 1.42 -4.83 2.02 -2.24 -1.26 -1.32 114.28 106.60 1wyg n THR 611 Ca 0.09 -1.26 -0.25 0.00 -2.27 0.00 0.00 64.05 60.36 1wyg n THR 611 Cb 0.53 0.26 -0.15 0.00 -2.10 0.00 0.00 70.33 68.86 1wyg n THR 611 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1wyg s ARG 612 N -1.58 1.44 0.38 -0.78 1.81 -1.26 -4.96 118.95 114.00 1wyg s ARG 612 Ca 0.31 -0.67 0.19 0.00 -1.72 0.00 0.00 55.73 53.84 1wyg s ARG 612 Cb 0.20 -1.41 0.68 0.00 -0.45 0.00 0.00 34.95 33.97 1wyg s ARG 612 CO 0.15 0.38 1.73 0.00 -0.68 0.00 0.00 175.30 176.88 1wyg h ALA 613 N 5.61 0.98 -0.39 2.13 0.00 -1.80 -3.24 119.26 122.54 1wyg h ALA 613 Ca -0.38 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 1wyg h ALA 613 Cb 1.15 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.73 1wyg h ALA 613 CO 0.48 0.45 -0.26 1.58 0.00 0.00 0.00 179.25 181.50 1wyg n HIS 614 N -3.50 -1.91 -3.96 0.00 -0.00 -1.25 -0.40 115.22 104.19 1wyg n HIS 614 Ca -0.00 -0.99 -0.13 0.00 -0.00 0.00 0.00 57.72 56.60 1wyg n HIS 614 Cb 0.51 1.26 -0.01 0.00 -0.00 0.00 0.00 29.99 31.75 1wyg n HIS 614 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1wyg n ALA 615 N 2.44 0.30 -3.27 1.57 0.00 -1.00 0.93 120.51 121.48 1wyg n ALA 615 Ca 0.12 -1.01 -0.32 0.00 0.00 0.00 0.00 53.44 52.22 1wyg n ALA 615 Cb 0.63 0.48 -0.16 0.00 0.00 0.00 0.00 19.45 20.39 1wyg n ALA 615 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wyg s LYS 616 N -2.93 3.10 -0.24 0.00 2.20 -0.53 -2.17 119.74 119.17 1wyg s LYS 616 Ca 0.08 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.56 1wyg s LYS 616 Cb -0.01 -2.38 0.01 0.00 -1.51 0.00 0.00 37.83 33.94 1wyg s LYS 616 CO 0.05 0.15 1.05 0.42 -0.36 0.00 0.00 175.35 176.66 1wyg s ILE 617 N 0.43 4.65 -0.09 5.43 1.01 0.48 -1.74 121.20 131.36 1wyg s ILE 617 Ca -0.16 1.98 0.16 0.00 0.00 0.00 0.00 60.65 62.64 1wyg s ILE 617 Cb -0.17 -4.31 -0.24 0.00 0.01 0.00 0.00 42.46 37.75 1wyg s ILE 617 CO 0.07 -0.20 0.23 0.35 0.00 0.00 0.00 174.94 175.38 1wyg n THR 618 N 5.37 0.53 -3.64 2.92 -2.24 -0.37 -4.73 114.28 112.12 1wyg n THR 618 Ca 0.12 -0.54 -0.06 0.00 -2.27 0.00 0.00 64.05 61.30 1wyg n THR 618 Cb 0.46 -0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.40 1wyg n THR 618 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wyg s SER 619 N -4.50 -0.45 -0.07 3.42 1.04 -1.21 -4.99 113.70 106.95 1wyg s SER 619 Ca -0.07 0.80 0.02 0.00 0.48 0.00 0.00 55.95 57.18 1wyg s SER 619 Cb 0.08 0.94 -0.03 0.00 0.10 0.00 0.00 66.02 67.12 1wyg s SER 619 CO 0.70 -0.13 -0.11 -0.63 0.98 0.00 0.00 173.24 174.05 1wyg s ILE 620 N 0.60 3.35 -0.23 -1.02 1.01 -1.26 -0.96 121.20 122.68 1wyg s ILE 620 Ca -0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 1wyg s ILE 620 Cb -0.05 -2.35 0.07 0.00 0.01 0.00 0.00 42.46 40.15 1wyg s ILE 620 CO -0.10 0.58 0.05 -0.62 0.00 0.00 0.00 174.94 174.85 1wyg s ASP 621 N -0.62 3.35 0.00 3.58 2.15 0.36 -4.98 116.67 120.51 1wyg s ASP 621 Ca 0.09 -1.11 0.28 0.00 0.43 0.00 0.00 52.55 52.24 1wyg s ASP 621 Cb -0.11 -0.72 0.99 0.00 -0.30 0.00 0.00 42.92 42.78 1wyg s ASP 621 CO 0.01 -0.33 1.71 0.41 -0.17 0.00 0.00 175.17 176.80 1wyg n THR 622 N 4.96 0.00 -0.18 1.71 -1.04 -1.26 -0.99 114.28 117.48 1wyg n THR 622 Ca -0.07 -0.10 -0.02 0.00 -2.04 0.00 0.00 64.05 61.82 1wyg n THR 622 Cb 0.45 0.16 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 1wyg n THR 622 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wyg n SER 623 N -0.78 -0.35 -0.02 8.00 7.64 -1.26 -0.35 113.62 126.50 1wyg n SER 623 Ca 0.13 0.81 -0.17 0.00 1.01 0.00 0.00 58.87 60.65 1wyg n SER 623 Cb 0.31 -0.16 -0.08 0.00 -1.01 0.00 0.00 64.21 63.27 1wyg n SER 623 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1wyg h GLU 624 N 0.00 0.66 -0.93 1.43 3.07 -1.80 -3.25 114.58 113.77 1wyg h GLU 624 Ca 0.14 -0.57 0.17 0.00 -0.50 0.00 0.00 59.36 58.60 1wyg h GLU 624 Cb 0.25 0.13 -0.10 0.00 -0.84 0.00 0.00 28.75 28.19 1wyg h GLU 624 CO -0.45 1.18 0.52 0.00 -1.40 0.00 0.00 179.01 178.86 1wyg h ALA 625 N 0.49 1.48 0.00 3.43 0.00 -0.45 0.05 119.26 124.26 1wyg h ALA 625 Ca -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wyg h ALA 625 Cb 1.34 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wyg h ALA 625 CO 0.14 -0.07 -0.07 0.87 0.00 0.00 0.00 179.25 180.13 1wyg h LYS 626 N 0.70 0.00 0.00 0.00 1.57 -1.41 -1.65 116.57 115.78 1wyg h LYS 626 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1wyg h LYS 626 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1wyg h LYS 626 CO -0.38 0.07 0.00 1.63 -0.57 0.00 0.00 179.45 180.20 1wyg n LYS 627 N -3.95 0.11 -2.43 3.15 5.02 0.00 -4.78 118.16 115.29 1wyg n LYS 627 Ca -0.03 0.21 -0.42 0.00 -2.02 0.00 0.00 58.31 56.05 1wyg n LYS 627 Cb 0.16 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 1wyg n LYS 627 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wyg s VAL 628 N -3.10 4.21 0.14 -0.18 1.01 -0.62 -4.96 120.40 116.90 1wyg s VAL 628 Ca 0.09 1.52 -0.35 0.00 0.00 0.00 0.00 61.98 63.25 1wyg s VAL 628 Cb 0.13 -3.98 -0.14 0.00 0.00 0.00 0.00 36.38 32.38 1wyg s VAL 628 CO 0.45 -0.04 1.53 -2.65 0.00 0.00 0.00 175.10 174.40 1wyg n PRO 629 N 5.63 1.93 -0.38 2.72 -0.02 -1.26 -1.26 135.00 142.36 1wyg n PRO 629 Ca 0.12 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1wyg n PRO 629 Cb 0.46 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1wyg n PRO 629 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wyg n GLY 630 N 3.24 0.71 3.68 -1.23 0.00 -1.26 -4.82 105.19 105.51 1wyg n GLY 630 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1wyg n GLY 630 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wyg s PHE 631 N -2.78 2.17 -0.04 1.61 5.36 -0.39 -2.44 117.98 121.49 1wyg s PHE 631 Ca 0.00 0.17 -0.03 0.00 -0.96 0.00 0.00 56.93 56.11 1wyg s PHE 631 Cb 0.00 -4.01 -0.01 0.00 -0.34 0.00 0.00 43.02 38.66 1wyg s PHE 631 CO 0.00 -4.15 -0.06 0.28 -1.46 0.00 0.00 175.22 169.82 1wyg n VAL 632 N 4.97 0.30 -3.83 3.12 0.31 0.22 -4.96 118.33 118.47 1wyg n VAL 632 Ca 0.17 0.43 -0.08 0.00 -0.01 0.00 0.00 64.34 64.85 1wyg n VAL 632 Cb 0.41 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1wyg n VAL 632 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wyg s PHE 634 N -3.07 2.28 0.08 0.00 5.36 -1.26 -0.23 117.98 121.13 1wyg s PHE 634 Ca 0.13 -1.64 -0.26 0.00 -0.96 0.00 0.00 56.93 54.20 1wyg s PHE 634 Cb -0.06 -1.54 -0.06 0.00 -0.34 0.00 0.00 43.02 41.03 1wyg s PHE 634 CO 0.09 -0.75 0.81 -0.51 -1.46 0.00 0.00 175.22 173.40 1wyg s LEU 635 N 1.44 4.48 0.00 6.12 1.43 0.36 -4.87 118.68 127.64 1wyg s LEU 635 Ca -0.05 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1wyg s LEU 635 Cb -0.18 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1wyg s LEU 635 CO -0.07 0.03 0.00 0.35 0.23 0.00 0.00 176.35 176.89 1wyg n THR 636 N 2.60 0.00 0.26 5.49 -2.24 -1.26 -1.46 114.28 117.66 1wyg n THR 636 Ca -0.02 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.89 1wyg n THR 636 Cb 0.50 0.00 0.68 0.00 -2.10 0.00 0.00 70.33 69.41 1wyg n THR 636 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wyg h ALA 637 N 1.00 1.20 -0.49 6.98 0.00 -1.79 -2.60 119.26 123.56 1wyg h ALA 637 Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wyg h ALA 637 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1wyg h ALA 637 CO 0.00 0.17 0.29 0.93 0.00 0.00 0.00 179.25 180.64 1wyg h GLU 638 N 0.00 0.66 0.00 0.00 5.08 -1.95 -2.89 114.58 115.48 1wyg h GLU 638 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1wyg h GLU 638 Cb 0.42 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1wyg h GLU 638 CO 0.02 0.49 0.00 -0.25 -1.00 0.00 0.00 179.01 178.27 1wyg n ASP 639 N -4.70 0.00 -4.69 1.42 9.92 -0.98 -4.77 116.55 112.76 1wyg n ASP 639 Ca 0.02 -0.59 -0.42 0.00 -0.53 0.00 0.00 54.79 53.27 1wyg n ASP 639 Cb 0.06 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1wyg n ASP 639 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wyg s VAL 640 N -2.00 4.54 0.07 2.53 1.01 -1.10 -4.95 120.40 120.51 1wyg s VAL 640 Ca 0.25 1.83 -0.35 0.00 0.00 0.00 0.00 61.98 63.71 1wyg s VAL 640 Cb 0.11 -4.18 -0.19 0.00 0.00 0.00 0.00 36.38 32.13 1wyg s VAL 640 CO 0.19 -0.01 1.60 -0.65 0.00 0.00 0.00 175.10 176.23 1wyg h PRO 641 N 7.29 -1.00 0.00 2.72 0.11 -1.84 -3.45 132.00 135.84 1wyg h PRO 641 Ca -0.32 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1wyg h PRO 641 Cb 1.15 0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.49 1wyg h PRO 641 CO 0.87 -0.66 0.00 -1.71 -0.21 0.00 0.00 178.00 176.29 1wyg n ASN 642 N -5.55 0.00 -4.69 -2.05 4.05 -0.83 -4.97 115.26 101.22 1wyg n ASN 642 Ca -0.14 0.00 -0.32 0.00 0.45 0.00 0.00 54.58 54.57 1wyg n ASN 642 Cb 0.43 0.00 -0.09 0.00 1.23 0.00 0.00 39.78 41.36 1wyg n ASN 642 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1wyg s SER 643 N -0.43 5.16 -0.08 1.20 0.15 -1.17 -4.99 113.70 113.53 1wyg s SER 643 Ca 0.00 -0.01 0.17 0.00 0.70 0.00 0.00 55.95 56.81 1wyg s SER 643 Cb 0.00 -1.35 0.62 0.00 -1.71 0.00 0.00 66.02 63.58 1wyg s SER 643 CO 0.00 0.27 1.53 -3.20 1.20 0.00 0.00 173.24 173.04 1wyg n ASN 644 N 1.29 4.24 -4.25 5.45 5.15 -1.26 -4.47 115.26 121.40 1wyg n ASN 644 Ca -0.14 -2.37 -0.39 0.00 -0.60 0.00 0.00 54.58 51.08 1wyg n ASN 644 Cb 0.53 -0.50 -0.11 0.00 -0.53 0.00 0.00 39.78 39.17 1wyg n ASN 644 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wyg s ALA 645 N -1.69 3.22 0.00 5.20 0.00 -1.26 -1.74 121.76 125.49 1wyg s ALA 645 Ca 0.45 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 50.31 1wyg s ALA 645 Cb 0.28 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1wyg s ALA 645 CO 0.23 -1.60 0.00 2.41 0.00 0.00 0.00 175.76 176.80 1wyg n THR 646 N 4.86 0.00 -0.55 0.00 -1.04 0.42 -4.88 114.28 113.09 1wyg n THR 646 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1wyg n THR 646 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 1wyg n THR 646 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wyg n GLY 647 N 5.00 -3.25 0.00 3.41 0.00 -1.26 -2.05 105.19 107.05 1wyg n GLY 647 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1wyg n GLY 647 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wyg n LEU 648 N -1.88 0.00 -0.33 0.99 7.94 -1.26 -1.07 117.00 121.40 1wyg n LEU 648 Ca 0.00 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1wyg n LEU 648 Cb 0.17 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 43.87 1wyg n LEU 648 CO 0.00 -0.25 0.24 0.49 -1.11 0.00 0.00 177.39 176.77 1wyg n PHE 649 N -1.21 0.00 -2.04 1.96 3.01 -1.26 -4.95 117.46 112.96 1wyg n PHE 649 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.29 1wyg n PHE 649 Cb 0.15 -0.02 -0.04 0.00 -0.01 0.00 0.00 39.48 39.57 1wyg n PHE 649 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1wyg n ASN 650 N 0.00 -4.87 -0.98 4.37 5.15 -0.23 -4.82 115.26 113.88 1wyg n ASN 650 Ca 0.00 0.22 0.10 0.00 -0.60 0.00 0.00 54.58 54.30 1wyg n ASN 650 Cb 0.62 -4.20 0.17 0.00 -0.53 0.00 0.00 39.78 35.84 1wyg n ASN 650 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1wyg n ASP 651 N -1.54 3.15 -4.67 1.20 5.75 -1.21 -4.68 116.55 114.56 1wyg n ASP 651 Ca -0.19 -1.92 -0.27 0.00 -0.01 0.00 0.00 54.79 52.39 1wyg n ASP 651 Cb 0.62 -0.18 -0.08 0.00 -1.03 0.00 0.00 41.12 40.45 1wyg n ASP 651 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1wyg s GLU 652 N -1.42 2.42 0.13 0.11 2.12 -1.20 -4.96 118.70 115.91 1wyg s GLU 652 Ca 0.32 -1.05 0.02 0.00 0.36 0.00 0.00 54.97 54.62 1wyg s GLU 652 Cb 0.19 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 32.16 1wyg s GLU 652 CO 0.27 0.47 0.26 0.95 -0.54 0.00 0.00 175.26 176.68 1wyg s THR 653 N -1.63 5.30 0.02 -1.70 -4.23 -1.26 -0.44 115.64 111.71 1wyg s THR 653 Ca 0.27 -0.65 -0.18 0.00 -1.18 0.00 0.00 61.69 59.95 1wyg s THR 653 Cb -0.10 -3.70 -0.26 0.00 1.34 0.00 0.00 72.50 69.78 1wyg s THR 653 CO 0.18 -0.05 1.09 0.58 -0.54 0.00 0.00 174.62 175.89 1wyg h VAL 654 N 1.74 1.38 -3.42 2.29 2.07 -1.69 -3.44 116.25 115.17 1wyg h VAL 654 Ca -0.48 -2.26 -0.38 0.00 0.82 0.00 0.00 66.70 64.41 1wyg h VAL 654 Cb 1.19 2.66 -0.35 0.00 -1.52 0.00 0.00 31.29 33.26 1wyg h VAL 654 CO 0.70 0.67 -0.76 -0.36 0.02 0.00 0.00 177.57 177.84 1wyg s PHE 655 N -3.07 0.45 0.28 1.57 0.40 -1.26 -4.89 117.98 111.45 1wyg s PHE 655 Ca -0.12 -0.05 -0.28 0.00 -0.60 0.00 0.00 56.93 55.88 1wyg s PHE 655 Cb 0.04 -0.54 -0.14 0.00 0.51 0.00 0.00 43.02 42.89 1wyg s PHE 655 CO 0.87 -0.19 1.01 0.00 0.70 0.00 0.00 175.22 177.61 1wyg n ALA 656 N 4.43 -0.37 -3.83 5.36 0.00 0.53 -4.54 120.51 122.09 1wyg n ALA 656 Ca -0.20 0.40 -0.26 0.00 0.00 0.00 0.00 53.44 53.38 1wyg n ALA 656 Cb 0.50 -2.01 -0.17 0.00 0.00 0.00 0.00 19.45 17.78 1wyg n ALA 656 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wyg s LYS 657 N -1.42 1.04 0.00 0.00 2.20 -1.26 -4.52 119.74 115.78 1wyg s LYS 657 Ca 0.60 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 1wyg s LYS 657 Cb -0.72 -1.57 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 1wyg s LYS 657 CO 0.59 -0.38 0.00 -0.25 -0.36 0.00 0.00 175.35 174.95 1wyg n ASP 658 N 5.02 0.00 -3.88 1.43 8.00 -1.26 -4.89 116.55 120.97 1wyg n ASP 658 Ca -0.10 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.29 1wyg n ASP 658 Cb 0.49 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.48 1wyg n ASP 658 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1wyg s GLU 659 N 0.00 0.31 -0.13 -1.24 -1.05 -1.26 0.18 118.70 115.51 1wyg s GLU 659 Ca 0.00 -0.24 -0.07 0.00 -0.15 0.00 0.00 54.97 54.51 1wyg s GLU 659 Cb 0.00 0.13 -0.04 0.00 -0.44 0.00 0.00 34.13 33.78 1wyg s GLU 659 CO 0.00 -0.06 0.13 0.14 0.95 0.00 0.00 175.26 176.42 1wyg s VAL 660 N -0.85 5.43 -0.22 1.83 -7.23 -0.92 -4.87 120.40 113.56 1wyg s VAL 660 Ca -0.09 0.18 0.10 0.00 -1.81 0.00 0.00 61.98 60.36 1wyg s VAL 660 Cb -0.06 -3.37 0.43 0.00 0.56 0.00 0.00 36.38 33.94 1wyg s VAL 660 CO 0.00 0.60 1.22 0.35 -0.31 0.00 0.00 175.10 176.97 1wyg n THR 661 N 2.13 2.27 0.00 5.32 -2.24 -1.26 -2.37 114.28 118.13 1wyg n THR 661 Ca -0.20 -3.40 0.00 0.00 -2.27 0.00 0.00 64.05 58.19 1wyg n THR 661 Cb 0.55 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1wyg n THR 661 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wyg s VAL 663 N -2.00 4.92 0.00 0.00 1.01 -1.22 -2.94 120.40 120.17 1wyg s VAL 663 Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.87 1wyg s VAL 663 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1wyg s VAL 663 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1wyg n GLY 664 N 2.97 0.96 3.72 4.51 0.00 -0.44 -4.43 105.19 112.48 1wyg n GLY 664 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1wyg n GLY 664 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1wyg s HIS 665 N -2.00 3.50 -0.14 1.61 5.04 -1.15 -4.65 115.29 117.50 1wyg s HIS 665 Ca 0.00 1.42 -0.29 0.00 -1.54 0.00 0.00 55.06 54.64 1wyg s HIS 665 Cb 0.00 -3.36 -0.02 0.00 0.04 0.00 0.00 32.58 29.24 1wyg s HIS 665 CO 0.00 -0.99 1.29 0.42 -2.34 0.00 0.00 174.74 173.12 1wyg s ILE 666 N 0.71 4.21 -0.23 0.89 1.01 -1.26 -0.58 121.20 125.95 1wyg s ILE 666 Ca 0.56 1.47 -0.08 0.00 0.00 0.00 0.00 60.65 62.60 1wyg s ILE 666 Cb -0.29 -3.95 -0.18 0.00 0.01 0.00 0.00 42.46 38.06 1wyg s ILE 666 CO 0.31 -0.11 -0.09 -0.38 0.00 0.00 0.00 174.94 174.67 1wyg n ILE 667 N 5.27 1.57 -2.41 2.92 5.41 0.84 -0.35 119.36 132.61 1wyg n ILE 667 Ca 0.14 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1wyg n ILE 667 Cb 0.45 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 1wyg n ILE 667 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wyg n GLY 668 N 1.77 3.75 3.33 7.39 0.00 -1.11 -3.97 105.19 116.36 1wyg n GLY 668 Ca -0.44 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 1wyg n GLY 668 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyg s ALA 669 N -1.36 -1.24 0.07 4.61 0.00 -0.54 -2.11 121.76 121.19 1wyg s ALA 669 Ca 0.00 1.68 -0.15 0.00 0.00 0.00 0.00 51.96 53.49 1wyg s ALA 669 Cb 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 23.12 21.90 1wyg s ALA 669 CO 0.00 -0.47 0.48 0.08 0.00 0.00 0.00 175.76 175.85 1wyg s VAL 670 N 1.90 4.94 -0.09 0.00 1.01 -0.01 -0.49 120.40 127.66 1wyg s VAL 670 Ca -0.07 0.84 0.02 0.00 0.00 0.00 0.00 61.98 62.77 1wyg s VAL 670 Cb -0.09 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1wyg s VAL 670 CO -0.14 0.43 -0.15 -0.69 0.00 0.00 0.00 175.10 174.55 1wyg s VAL 671 N -1.25 1.40 0.36 2.92 1.01 0.68 -1.18 120.40 124.34 1wyg s VAL 671 Ca 0.30 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1wyg s VAL 671 Cb -0.16 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1wyg s VAL 671 CO 0.17 0.42 0.54 0.00 0.00 0.00 0.00 175.10 176.23 1wyg n ALA 672 N 3.96 -0.57 -0.57 5.51 0.00 -0.18 0.73 120.51 129.39 1wyg n ALA 672 Ca -0.20 -1.58 0.00 0.00 0.00 0.00 0.00 53.44 51.65 1wyg n ALA 672 Cb 0.52 1.27 0.00 0.00 0.00 0.00 0.00 19.45 21.24 1wyg n ALA 672 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wyg n ASP 673 N -1.60 0.00 -4.88 0.00 5.75 -1.02 0.82 116.55 115.62 1wyg n ASP 673 Ca -0.01 0.54 -0.30 0.00 -0.01 0.00 0.00 54.79 55.02 1wyg n ASP 673 Cb 0.59 -0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.45 1wyg n ASP 673 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1wyg s THR 674 N -1.37 4.77 0.37 2.12 -4.23 -1.26 -1.94 115.64 114.10 1wyg s THR 674 Ca 0.00 0.63 0.08 0.00 -1.18 0.00 0.00 61.69 61.21 1wyg s THR 674 Cb 0.00 -3.78 0.17 0.00 1.34 0.00 0.00 72.50 70.23 1wyg s THR 674 CO 0.00 -0.70 1.92 -0.65 -0.54 0.00 0.00 174.62 174.65 1wyg h PRO 675 N 0.78 0.36 -0.44 3.99 0.11 -1.91 -2.02 132.00 132.86 1wyg h PRO 675 Ca -0.47 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.59 1wyg h PRO 675 Cb 1.19 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1wyg h PRO 675 CO 0.63 0.43 0.25 0.93 -0.21 0.00 0.00 178.00 180.03 1wyg h GLU 676 N 0.35 0.49 0.00 1.05 3.07 -1.99 -1.61 114.58 115.94 1wyg h GLU 676 Ca 0.08 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 1wyg h GLU 676 Cb 0.31 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1wyg h GLU 676 CO 0.01 0.32 -0.49 0.45 -1.40 0.00 0.00 179.01 177.90 1wyg h HIS 677 N 0.51 0.00 -0.54 4.33 3.86 -1.79 -2.35 115.15 119.17 1wyg h HIS 677 Ca 0.18 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.29 1wyg h HIS 677 Cb 0.03 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1wyg h HIS 677 CO -0.08 0.49 -0.06 0.00 0.86 0.00 0.00 177.93 179.15 1wyg h ALA 678 N 1.51 0.73 0.32 2.45 0.00 -0.87 -1.93 119.26 121.47 1wyg h ALA 678 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1wyg h ALA 678 Cb 1.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1wyg h ALA 678 CO 0.06 0.61 -0.15 0.37 0.00 0.00 0.00 179.25 180.14 1wyg h GLN 679 N 0.87 -0.41 -0.62 0.00 4.15 -1.16 -0.61 115.11 117.32 1wyg h GLN 679 Ca 0.14 0.03 0.15 0.00 0.77 0.00 0.00 58.65 59.75 1wyg h GLN 679 Cb 0.62 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 1wyg h GLN 679 CO 0.04 -0.09 0.43 -0.09 -1.93 0.00 0.00 178.83 177.20 1wyg h ARG 680 N -0.80 0.17 -0.07 1.69 2.43 -1.45 -0.70 114.38 115.65 1wyg h ARG 680 Ca -0.04 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 1wyg h ARG 680 Cb 0.51 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1wyg h ARG 680 CO 0.07 0.11 -0.34 0.00 -1.51 0.00 0.00 179.97 178.31 1wyg h ALA 681 N 1.70 0.14 -0.72 2.80 0.00 -1.22 -3.04 119.26 118.92 1wyg h ALA 681 Ca 0.30 -0.45 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1wyg h ALA 681 Cb 0.95 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1wyg h ALA 681 CO -0.05 0.20 0.48 0.00 0.00 0.00 0.00 179.25 179.88 1wyg h ALA 682 N 0.43 1.79 0.00 0.00 0.00 0.33 0.48 119.26 122.28 1wyg h ALA 682 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wyg h ALA 682 Cb 0.99 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1wyg h ALA 682 CO 0.07 0.08 0.00 -0.09 0.00 0.00 0.00 179.25 179.31 1wyg h ARG 683 N 0.68 0.00 -0.12 0.00 2.43 -1.23 -1.66 114.38 114.47 1wyg h ARG 683 Ca 0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1wyg h ARG 683 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1wyg h ARG 683 CO -0.11 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.76 1wyg n GLY 684 N -0.33 0.17 3.41 2.80 0.00 0.17 -4.69 105.19 106.72 1wyg n GLY 684 Ca -0.00 -0.42 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 1wyg n GLY 684 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wyg s VAL 685 N -1.86 4.91 0.08 1.61 1.01 -0.63 -2.64 120.40 122.88 1wyg s VAL 685 Ca 0.34 -1.59 -0.30 0.00 0.00 0.00 0.00 61.98 60.43 1wyg s VAL 685 Cb 0.19 -4.66 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 1wyg s VAL 685 CO 0.29 -1.34 1.07 -0.54 0.00 0.00 0.00 175.10 174.58 1wyg s LYS 686 N 2.24 4.55 0.08 2.72 -0.14 -0.16 -4.84 119.74 124.19 1wyg s LYS 686 Ca 0.25 1.60 0.08 0.00 -1.36 0.00 0.00 55.97 56.54 1wyg s LYS 686 Cb -0.10 -3.37 -0.03 0.00 -1.68 0.00 0.00 37.83 32.65 1wyg s LYS 686 CO -0.05 -0.04 -0.21 0.42 -0.76 0.00 0.00 175.35 174.70 1wyg s ILE 687 N 0.58 1.70 -0.02 2.17 1.01 -1.26 0.14 121.20 125.52 1wyg s ILE 687 Ca 0.53 -1.41 0.06 0.00 0.00 0.00 0.00 60.65 59.83 1wyg s ILE 687 Cb -0.26 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1wyg s ILE 687 CO 0.30 0.05 -0.22 0.42 0.00 0.00 0.00 174.94 175.50 1wyg s THR 688 N -1.01 1.72 0.37 2.92 -4.23 -0.14 -5.00 115.64 110.26 1wyg s THR 688 Ca 0.07 -0.92 0.04 0.00 -1.18 0.00 0.00 61.69 59.70 1wyg s THR 688 Cb -0.09 -1.43 -0.05 0.00 1.34 0.00 0.00 72.50 72.26 1wyg s THR 688 CO 0.03 0.49 0.06 -0.31 -0.54 0.00 0.00 174.62 174.35 1wyg s TYR 689 N -0.42 2.01 -0.33 3.99 1.51 -1.26 -1.24 117.35 121.61 1wyg s TYR 689 Ca 0.06 -0.97 0.00 0.00 -1.01 0.00 0.00 57.07 55.15 1wyg s TYR 689 Cb -0.09 -1.37 0.14 0.00 -0.11 0.00 0.00 41.96 40.52 1wyg s TYR 689 CO -0.00 0.04 0.28 -1.21 -1.11 0.00 0.00 175.55 173.55 1wyg s GLU 690 N -3.83 0.46 0.69 -0.62 2.02 -0.71 -4.88 118.70 111.82 1wyg s GLU 690 Ca 0.31 -0.69 -0.17 0.00 0.02 0.00 0.00 54.97 54.44 1wyg s GLU 690 Cb 0.07 -0.89 -0.03 0.00 0.10 0.00 0.00 34.13 33.38 1wyg s GLU 690 CO 0.15 -1.12 0.72 -0.25 0.02 0.00 0.00 175.26 174.77 1wyg n ASP 691 N 4.68 -0.41 -4.27 -0.19 8.00 -1.26 -1.45 116.55 121.65 1wyg n ASP 691 Ca 0.05 0.66 -0.15 0.00 0.71 0.00 0.00 54.79 56.06 1wyg n ASP 691 Cb 0.43 -1.29 -0.10 0.00 -0.02 0.00 0.00 41.12 40.14 1wyg n ASP 691 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wyg s LEU 692 N -1.21 2.50 -0.30 0.64 1.43 0.26 -4.82 118.68 117.18 1wyg s LEU 692 Ca 0.70 -1.04 -0.37 0.00 -1.03 0.00 0.00 54.13 52.39 1wyg s LEU 692 Cb -0.37 -0.38 -0.13 0.00 0.03 0.00 0.00 46.19 45.34 1wyg s LEU 692 CO 0.54 -0.33 2.02 -2.65 0.23 0.00 0.00 176.35 176.16 1wyg n PRO 693 N -0.24 1.20 -3.65 1.29 -0.02 -1.26 -4.68 135.00 127.64 1wyg n PRO 693 Ca -0.09 0.38 -0.35 0.00 -2.02 0.00 0.00 63.50 61.42 1wyg n PRO 693 Cb 0.61 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 1wyg n PRO 693 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wyg s ALA 694 N 5.75 3.77 -0.80 3.55 0.00 -1.26 -4.98 121.76 127.79 1wyg s ALA 694 Ca 1.05 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.59 1wyg s ALA 694 Cb -0.93 -2.20 0.20 0.00 0.00 0.00 0.00 23.12 20.19 1wyg s ALA 694 CO 0.55 0.58 0.65 -0.89 0.00 0.00 0.00 175.76 176.65 1wyg n ILE 695 N 1.19 2.33 0.23 0.00 2.08 -1.26 -4.97 119.36 118.95 1wyg n ILE 695 Ca -0.11 -5.01 -0.10 0.00 0.56 0.00 0.00 62.75 58.09 1wyg n ILE 695 Cb 0.53 -2.27 -0.05 0.00 -0.75 0.00 0.00 39.64 37.10 1wyg n ILE 695 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1wyg h ILE 696 N 4.17 0.05 -3.14 1.39 1.08 -1.93 -1.09 117.51 118.03 1wyg h ILE 696 Ca 0.16 -0.54 -0.46 0.00 -0.39 0.00 0.00 64.86 63.63 1wyg h ILE 696 Cb 0.77 0.08 0.05 0.00 -3.07 0.00 0.00 36.82 34.64 1wyg h ILE 696 CO 0.79 0.01 0.04 0.42 -0.69 0.00 0.00 178.15 178.73 1wyg s THR 697 N -3.73 3.53 0.28 -0.27 -4.23 -1.26 -4.66 115.64 105.29 1wyg s THR 697 Ca -0.10 -0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.09 1wyg s THR 697 Cb 0.01 -3.36 0.28 0.00 1.34 0.00 0.00 72.50 70.76 1wyg s THR 697 CO 0.31 -0.31 1.89 0.40 -0.54 0.00 0.00 174.62 176.36 1wyg h ILE 698 N 0.05 1.07 0.52 2.99 2.04 -1.84 -0.46 117.51 121.87 1wyg h ILE 698 Ca -0.45 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 1wyg h ILE 698 Cb 1.27 -0.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1wyg h ILE 698 CO 0.58 0.21 -0.25 -0.61 0.00 0.00 0.00 178.15 178.08 1wyg h GLN 699 N 1.13 -0.67 -0.94 2.37 5.75 -1.92 -0.35 115.11 120.47 1wyg h GLN 699 Ca 0.43 0.05 0.27 0.00 -0.15 0.00 0.00 58.65 59.25 1wyg h GLN 699 Cb 0.21 0.15 -0.17 0.00 1.07 0.00 0.00 27.48 28.74 1wyg h GLN 699 CO -0.17 -0.37 0.15 -0.44 -2.65 0.00 0.00 178.83 175.34 1wyg h ASP 700 N -0.90 -0.23 -0.06 -0.69 3.32 -1.76 0.25 116.42 116.35 1wyg h ASP 700 Ca -0.07 0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1wyg h ASP 700 Cb 0.61 0.39 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 1wyg h ASP 700 CO 0.12 -0.30 0.02 0.00 -1.72 0.00 0.00 179.24 177.36 1wyg h ALA 701 N 1.91 0.08 -0.90 3.45 0.00 -0.71 -1.67 119.26 121.43 1wyg h ALA 701 Ca 0.61 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.44 1wyg h ALA 701 Cb 1.29 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1wyg h ALA 701 CO -0.81 -0.32 0.58 0.82 0.00 0.00 0.00 179.25 179.53 1wyg h ILE 702 N -0.08 1.15 0.00 0.00 2.04 0.11 0.24 117.51 120.97 1wyg h ILE 702 Ca 0.02 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1wyg h ILE 702 Cb 0.20 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1wyg h ILE 702 CO -0.00 0.21 -0.13 0.78 0.00 0.00 0.00 178.15 179.00 1wyg h ASN 703 N 1.14 0.00 -0.10 1.72 2.35 -0.71 -2.76 115.58 117.22 1wyg h ASN 703 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1wyg h ASN 703 Cb -0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1wyg h ASN 703 CO -0.12 0.13 0.00 0.59 -1.65 0.00 0.00 177.43 176.39 1wyg n ASN 704 N -3.36 2.68 -3.79 5.81 3.02 -0.45 -4.97 115.26 114.19 1wyg n ASN 704 Ca -0.00 -1.80 -0.25 0.00 -0.03 0.00 0.00 54.58 52.50 1wyg n ASN 704 Cb 0.33 -0.05 0.03 0.00 -0.61 0.00 0.00 39.78 39.48 1wyg n ASN 704 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1wyg n ASN 705 N 1.06 -2.44 -4.23 6.41 5.15 0.70 -4.92 115.26 116.99 1wyg n ASN 705 Ca 0.12 -0.81 -0.42 0.00 -0.60 0.00 0.00 54.58 52.87 1wyg n ASN 705 Cb 0.47 -3.96 -0.06 0.00 -0.53 0.00 0.00 39.78 35.70 1wyg n ASN 705 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1wyg s SER 706 N -3.99 5.95 0.42 1.20 0.15 -0.71 -5.05 113.70 111.68 1wyg s SER 706 Ca 0.24 -2.36 0.04 0.00 0.70 0.00 0.00 55.95 54.56 1wyg s SER 706 Cb -0.12 -2.05 -0.02 0.00 -1.71 0.00 0.00 66.02 62.12 1wyg s SER 706 CO 0.82 -0.59 0.12 -0.36 1.20 0.00 0.00 173.24 174.42 1wyg s PHE 707 N 0.68 1.80 -0.76 3.44 2.99 -1.26 -0.97 117.98 123.90 1wyg s PHE 707 Ca 0.12 -1.25 -0.05 0.00 0.00 0.00 0.00 56.93 55.75 1wyg s PHE 707 Cb -0.20 -1.20 0.19 0.00 0.00 0.00 0.00 43.02 41.81 1wyg s PHE 707 CO -0.03 -0.24 0.62 0.71 -0.00 0.00 0.00 175.22 176.28 1wyg s TYR 708 N -3.18 3.64 0.00 0.36 4.12 -0.30 -4.56 117.35 117.42 1wyg s TYR 708 Ca 0.22 -2.69 0.00 0.00 0.02 0.00 0.00 57.07 54.62 1wyg s TYR 708 Cb 0.03 -3.34 0.00 0.00 -1.52 0.00 0.00 41.96 37.12 1wyg s TYR 708 CO 0.14 -0.84 0.00 0.41 0.02 0.00 0.00 175.55 175.28 1wyg n GLY 709 N 3.18 -2.13 3.87 0.71 0.00 -1.26 -4.69 105.19 104.86 1wyg n GLY 709 Ca 0.14 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 1wyg n GLY 709 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wyg s SER 710 N -3.56 2.87 0.15 1.61 1.04 -1.26 -4.93 113.70 109.61 1wyg s SER 710 Ca 0.00 0.39 -0.19 0.00 0.48 0.00 0.00 55.95 56.63 1wyg s SER 710 Cb 0.00 -0.52 -0.07 0.00 0.10 0.00 0.00 66.02 65.52 1wyg s SER 710 CO 0.00 -2.90 0.64 -1.83 0.98 0.00 0.00 173.24 170.13 1wyg s GLU 711 N -5.76 4.23 0.16 4.02 -1.05 -1.26 -4.88 118.70 114.16 1wyg s GLU 711 Ca 0.72 0.79 -0.17 0.00 -0.15 0.00 0.00 54.97 56.16 1wyg s GLU 711 Cb -0.06 -3.07 -0.07 0.00 -0.44 0.00 0.00 34.13 30.48 1wyg s GLU 711 CO 0.53 0.53 0.62 0.42 0.95 0.00 0.00 175.26 178.31 1wyg s ILE 712 N -1.31 4.72 -0.14 1.83 1.01 -0.71 -4.90 121.20 121.70 1wyg s ILE 712 Ca 0.36 1.09 -0.14 0.00 0.00 0.00 0.00 60.65 61.95 1wyg s ILE 712 Cb -0.18 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.51 1wyg s ILE 712 CO 0.21 0.29 0.39 -0.75 0.00 0.00 0.00 174.94 175.08 1wyg s LYS 713 N -1.81 0.48 -0.04 2.79 2.20 -1.26 -0.59 119.74 121.52 1wyg s LYS 713 Ca 0.38 0.50 0.02 0.00 -0.36 0.00 0.00 55.97 56.51 1wyg s LYS 713 Cb -0.17 0.23 0.01 0.00 -1.51 0.00 0.00 37.83 36.40 1wyg s LYS 713 CO 0.20 -0.07 -0.09 0.42 -0.36 0.00 0.00 175.35 175.45 1wyg s ILE 714 N 0.10 0.82 -0.18 5.43 1.01 -0.84 -4.95 121.20 122.58 1wyg s ILE 714 Ca -0.01 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 1wyg s ILE 714 Cb -0.03 -0.75 0.06 0.00 0.01 0.00 0.00 42.46 41.75 1wyg s ILE 714 CO 0.01 0.27 0.43 -1.83 0.00 0.00 0.00 174.94 173.81 1wyg s GLU 715 N 0.44 0.42 -0.01 2.79 -1.05 -1.26 -1.28 118.70 118.74 1wyg s GLU 715 Ca -0.07 0.80 0.04 0.00 -0.15 0.00 0.00 54.97 55.58 1wyg s GLU 715 Cb -0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 34.13 33.57 1wyg s GLU 715 CO 0.01 -0.15 -0.12 0.21 0.95 0.00 0.00 175.26 176.16 1wyg s LYS 716 N 1.32 1.06 1.67 -4.83 2.20 -0.67 -5.01 119.74 115.48 1wyg s LYS 716 Ca -0.09 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 1wyg s LYS 716 Cb -0.08 -1.01 0.00 0.00 -1.51 0.00 0.00 37.83 35.23 1wyg s LYS 716 CO -0.12 0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.53 1wyg n GLY 717 N 2.85 -1.16 2.94 5.54 0.00 -1.24 -1.67 105.19 112.44 1wyg n GLY 717 Ca -0.15 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1wyg n GLY 717 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wyg s ASP 718 N -4.00 3.40 0.00 1.61 -1.08 -1.26 -4.93 116.67 110.41 1wyg s ASP 718 Ca 0.00 -0.93 -0.24 0.00 -0.52 0.00 0.00 52.55 50.86 1wyg s ASP 718 Cb 0.00 -1.11 -0.15 0.00 -1.46 0.00 0.00 42.92 40.20 1wyg s ASP 718 CO 0.00 -0.19 1.13 -0.07 0.52 0.00 0.00 175.17 176.56 1wyg h LEU 719 N 8.01 -0.45 -0.41 -1.34 3.38 -1.89 -1.94 115.31 120.66 1wyg h LEU 719 Ca -0.23 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.70 1wyg h LEU 719 Cb 1.09 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 1wyg h LEU 719 CO 0.43 -0.07 -0.19 0.11 0.09 0.00 0.00 178.44 178.81 1wyg h LYS 720 N -0.91 -0.11 -0.61 1.13 1.57 -1.99 0.60 116.57 116.25 1wyg h LYS 720 Ca -0.05 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1wyg h LYS 720 Cb 0.55 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1wyg h LYS 720 CO 0.09 -0.07 0.34 -0.22 -0.57 0.00 0.00 179.45 179.02 1wyg h LYS 721 N -0.11 0.62 -0.43 3.15 3.64 -2.01 -0.94 116.57 120.49 1wyg h LYS 721 Ca 0.20 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1wyg h LYS 721 Cb 0.42 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1wyg h LYS 721 CO -0.48 0.41 0.05 0.78 -2.27 0.00 0.00 179.45 177.94 1wyg h GLY 722 N 0.64 0.72 1.69 5.01 0.00 -0.37 -2.71 103.07 108.05 1wyg h GLY 722 Ca 0.26 -0.42 -0.18 0.00 0.00 0.00 0.00 47.33 46.99 1wyg h GLY 722 CO -0.16 0.40 -0.75 0.74 0.00 0.00 0.00 176.54 176.77 1wyg h PHE 723 N 0.64 0.41 -0.75 5.60 0.05 -0.34 -3.20 116.94 119.35 1wyg h PHE 723 Ca 0.14 -0.19 0.01 0.00 3.82 0.00 0.00 57.97 61.75 1wyg h PHE 723 Cb 0.33 -0.06 -0.04 0.00 2.00 0.00 0.00 35.95 38.18 1wyg h PHE 723 CO 0.01 0.94 0.50 0.77 -0.18 0.00 0.00 178.31 180.35 1wyg h SER 724 N 0.20 0.85 -0.18 2.17 0.02 -0.87 -0.45 113.55 115.30 1wyg h SER 724 Ca -0.03 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1wyg h SER 724 Cb 1.32 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1wyg h SER 724 CO 0.12 0.62 0.00 -0.62 -1.14 0.00 0.00 176.83 175.81 1wyg n GLU 725 N -4.42 1.47 -2.78 3.45 1.02 -1.14 -4.84 120.64 113.39 1wyg n GLU 725 Ca 0.08 -0.72 -0.43 0.00 -0.02 0.00 0.00 57.16 56.08 1wyg n GLU 725 Cb 0.04 -1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 1wyg n GLU 725 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wyg s ALA 726 N -1.77 3.40 0.14 0.62 0.00 -0.18 -4.84 121.76 119.15 1wyg s ALA 726 Ca 0.19 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.58 1wyg s ALA 726 Cb 0.10 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.66 1wyg s ALA 726 CO 0.14 -1.62 1.74 -0.44 0.00 0.00 0.00 175.76 175.58 1wyg h ASP 727 N 8.47 0.53 -2.15 0.00 3.32 -1.79 -3.44 116.42 121.37 1wyg h ASP 727 Ca -0.23 -0.10 -0.58 0.00 0.02 0.00 0.00 57.03 56.14 1wyg h ASP 727 Cb 1.08 -0.14 -0.11 0.00 0.22 0.00 0.00 39.33 40.37 1wyg h ASP 727 CO 0.99 0.48 -0.68 0.20 -1.72 0.00 0.00 179.24 178.51 1wyg s ASN 728 N -5.74 4.10 -0.29 6.45 0.01 -0.03 -5.02 114.94 114.42 1wyg s ASN 728 Ca -0.13 -0.86 0.02 0.00 -0.71 0.00 0.00 52.86 51.18 1wyg s ASN 728 Cb 0.11 -0.57 0.18 0.00 0.41 0.00 0.00 41.25 41.38 1wyg s ASN 728 CO 0.74 -0.03 0.54 -0.69 -1.51 0.00 0.00 177.10 176.15 1wyg s VAL 729 N -2.43 -0.90 -0.08 1.60 1.01 -1.26 -2.38 120.40 115.96 1wyg s VAL 729 Ca 0.31 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 1wyg s VAL 729 Cb -0.05 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1wyg s VAL 729 CO 0.18 -0.06 0.05 -0.69 0.00 0.00 0.00 175.10 174.58 1wyg s VAL 730 N 2.76 4.73 0.24 2.92 1.01 -0.72 -4.96 120.40 126.38 1wyg s VAL 730 Ca 0.13 -0.14 0.11 0.00 0.00 0.00 0.00 61.98 62.09 1wyg s VAL 730 Cb -0.12 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1wyg s VAL 730 CO -0.24 0.57 -0.19 -0.44 0.00 0.00 0.00 175.10 174.79 1wyg s SER 731 N -1.06 3.64 0.00 3.32 0.01 -1.26 -1.62 113.70 116.73 1wyg s SER 731 Ca 0.15 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.51 1wyg s SER 731 Cb -0.12 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.76 1wyg s SER 731 CO 0.05 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1wyg n GLY 732 N -0.23 0.44 2.76 3.44 0.00 -0.98 -4.99 105.19 105.63 1wyg n GLY 732 Ca -0.09 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 1wyg n GLY 732 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wyg s GLU 733 N -2.00 0.70 -0.10 1.61 2.02 -1.26 -1.99 118.70 117.68 1wyg s GLU 733 Ca 0.00 -0.24 -0.05 0.00 0.02 0.00 0.00 54.97 54.70 1wyg s GLU 733 Cb 0.00 -1.71 -0.04 0.00 0.10 0.00 0.00 34.13 32.48 1wyg s GLU 733 CO 0.00 -0.51 0.09 -1.17 0.02 0.00 0.00 175.26 173.69 1wyg s LEU 734 N 1.88 4.08 -0.11 1.80 2.96 -0.93 -4.93 118.68 123.44 1wyg s LEU 734 Ca 0.01 0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 1wyg s LEU 734 Cb -0.15 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.53 1wyg s LEU 734 CO -0.07 0.38 -0.19 -0.47 -1.32 0.00 0.00 176.35 174.68 1wyg s TYR 735 N -1.00 2.26 -0.22 5.38 5.04 -1.26 -0.83 117.35 126.71 1wyg s TYR 735 Ca 0.15 -1.05 -0.05 0.00 -2.44 0.00 0.00 57.07 53.69 1wyg s TYR 735 Cb -0.12 -1.57 -0.01 0.00 0.35 0.00 0.00 41.96 40.61 1wyg s TYR 735 CO 0.05 -0.49 -0.02 0.42 -1.34 0.00 0.00 175.55 174.17 1wyg s ILE 736 N 0.77 3.61 1.02 3.14 1.01 0.45 -1.43 121.20 129.78 1wyg s ILE 736 Ca -0.10 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 1wyg s ILE 736 Cb -0.16 -2.65 0.20 0.00 0.01 0.00 0.00 42.46 39.87 1wyg s ILE 736 CO 0.01 0.41 1.08 -0.83 0.00 0.00 0.00 174.94 175.61 1wyg s GLY 737 N 1.45 1.61 0.00 6.18 0.00 0.14 -1.15 107.32 115.55 1wyg s GLY 737 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1wyg s GLY 737 CO -0.01 0.69 0.00 0.61 0.00 0.00 0.00 173.10 174.38 1wyg n GLY 738 N 0.14 0.42 0.00 0.20 0.00 -1.26 -4.59 105.19 100.10 1wyg n GLY 738 Ca 0.07 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1wyg n GLY 738 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wyg n GLN 739 N 0.00 0.00 -3.31 1.61 7.27 -1.26 -4.92 117.38 116.77 1wyg n GLN 739 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.69 1wyg n GLN 739 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 1wyg n GLN 739 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1wyg s GLU 740 N -0.03 4.26 0.23 3.69 2.56 -1.26 -0.96 118.70 127.19 1wyg s GLU 740 Ca 0.00 0.53 -0.06 0.00 0.00 0.00 0.00 54.97 55.44 1wyg s GLU 740 Cb 0.00 -3.37 0.32 0.00 2.00 0.00 0.00 34.13 33.08 1wyg s GLU 740 CO 0.00 0.31 1.82 0.45 -0.56 0.00 0.00 175.26 177.29 1wyg h HIS 741 N 6.04 0.83 -6.13 5.30 3.86 -1.95 -3.47 115.15 119.63 1wyg h HIS 741 Ca -0.44 0.03 -0.43 0.00 -1.16 0.00 0.00 60.37 58.37 1wyg h HIS 741 Cb 1.19 -0.26 0.04 0.00 1.06 0.00 0.00 27.41 29.44 1wyg h HIS 741 CO 0.65 0.38 -0.83 0.34 0.86 0.00 0.00 177.93 179.33 1wyg n PHE 742 N -4.72 -1.93 -2.07 2.45 7.35 -1.26 -4.93 117.46 112.35 1wyg n PHE 742 Ca 0.11 0.84 -0.41 0.00 -0.76 0.00 0.00 57.45 57.23 1wyg n PHE 742 Cb 0.21 -4.32 -0.02 0.00 0.35 0.00 0.00 39.48 35.70 1wyg n PHE 742 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 1wyg s TYR 743 N -3.66 3.07 0.34 -5.13 1.13 -1.26 -4.80 117.35 107.04 1wyg s TYR 743 Ca 0.06 1.12 0.02 0.00 -1.41 0.00 0.00 57.07 56.86 1wyg s TYR 743 Cb -0.03 -3.75 0.62 0.00 -1.10 0.00 0.00 41.96 37.70 1wyg s TYR 743 CO 0.82 -2.39 1.98 -0.07 -2.51 0.00 0.00 175.55 173.37 1wyg h LEU 744 N 4.90 0.77 -8.84 -3.49 3.38 -1.87 -3.36 115.31 106.81 1wyg h LEU 744 Ca -0.46 -0.01 -0.62 0.00 0.09 0.00 0.00 57.88 56.88 1wyg h LEU 744 Cb 1.22 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 1wyg h LEU 744 CO 0.76 0.53 0.16 -0.70 0.09 0.00 0.00 178.44 179.29 1wyg s GLU 745 N -5.77 3.81 0.08 1.13 2.12 -0.98 -4.55 118.70 114.53 1wyg s GLU 745 Ca -0.10 0.21 -0.01 0.00 0.36 0.00 0.00 54.97 55.42 1wyg s GLU 745 Cb 0.18 -3.76 0.02 0.00 0.26 0.00 0.00 34.13 30.83 1wyg s GLU 745 CO 0.78 -0.65 0.06 0.25 -0.54 0.00 0.00 175.26 175.16 1wyg n THR 746 N 5.49 0.00 -2.50 -1.70 -2.24 -1.26 -4.73 114.28 107.34 1wyg n THR 746 Ca -0.01 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 1wyg n THR 746 Cb 0.49 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 67.96 1wyg n THR 746 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wyg s ASN 747 N -1.80 7.25 -0.13 3.42 0.01 -1.26 -4.88 114.94 117.55 1wyg s ASN 747 Ca 0.04 2.11 -0.08 0.00 -0.71 0.00 0.00 52.86 54.21 1wyg s ASN 747 Cb -0.01 -2.60 0.04 0.00 0.41 0.00 0.00 41.25 39.09 1wyg s ASN 747 CO 0.03 -0.24 0.31 0.00 -1.51 0.00 0.00 177.10 175.70 1wyg s THR 749 N 0.89 0.02 -0.16 0.00 2.01 -0.41 -1.82 115.64 116.17 1wyg s THR 749 Ca -0.06 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.94 1wyg s THR 749 Cb -0.07 -0.03 0.03 0.00 0.01 0.00 0.00 72.50 72.44 1wyg s THR 749 CO -0.06 0.01 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.12 1wyg s ILE 750 N 0.01 1.52 -0.21 1.82 1.01 -0.22 -0.66 121.20 124.48 1wyg s ILE 750 Ca -0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 1wyg s ILE 750 Cb -0.00 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 1wyg s ILE 750 CO -0.00 0.35 -0.01 0.00 0.00 0.00 0.00 174.94 175.29 1wyg s ALA 751 N 1.49 2.98 -0.28 9.38 0.00 0.37 0.20 121.76 135.90 1wyg s ALA 751 Ca 0.03 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 1wyg s ALA 751 Cb -0.14 -1.77 0.05 0.00 0.00 0.00 0.00 23.12 21.26 1wyg s ALA 751 CO -0.10 -0.23 -0.03 0.54 0.00 0.00 0.00 175.76 175.94 1wyg s VAL 752 N 1.15 2.81 0.11 0.00 0.11 0.11 -1.02 120.40 123.67 1wyg s VAL 752 Ca 0.03 -1.35 -0.30 0.00 -2.93 0.00 0.00 61.98 57.43 1wyg s VAL 752 Cb -0.14 -2.58 -0.06 0.00 -1.53 0.00 0.00 36.38 32.06 1wyg s VAL 752 CO 0.01 -0.02 1.13 -2.16 -3.33 0.00 0.00 175.10 170.73 1wyg s PRO 753 N 1.24 4.52 0.00 1.54 0.04 -1.26 -1.46 135.00 139.62 1wyg s PRO 753 Ca -0.05 1.71 0.28 0.00 0.04 0.00 0.00 61.00 62.98 1wyg s PRO 753 Cb -0.19 -3.33 1.10 0.00 0.04 0.00 0.00 34.50 32.12 1wyg s PRO 753 CO -0.03 -0.08 1.79 1.63 0.04 0.00 0.00 177.00 180.35 1wyg n LYS 754 N 3.21 0.47 0.00 4.56 4.76 0.14 -4.91 118.16 126.39 1wyg n LYS 754 Ca 0.06 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1wyg n LYS 754 Cb 0.47 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 1wyg n LYS 754 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wyg n GLY 755 N 1.35 3.01 2.85 0.72 0.00 -1.26 -4.96 105.19 106.89 1wyg n GLY 755 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1wyg n GLY 755 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wyg s GLU 756 N -0.10 0.06 -0.47 1.61 -1.05 -1.26 -4.84 118.70 112.64 1wyg s GLU 756 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 1wyg s GLU 756 Cb 0.00 -0.15 0.00 0.00 -0.44 0.00 0.00 34.13 33.54 1wyg s GLU 756 CO 0.00 -0.05 0.00 0.00 0.95 0.00 0.00 175.26 176.16 1wyg n ALA 757 N 3.46 -0.07 -1.66 -0.84 0.00 -1.26 -2.37 120.51 117.78 1wyg n ALA 757 Ca -0.18 0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 1wyg n ALA 757 Cb 0.56 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 1wyg n ALA 757 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wyg n GLY 758 N -1.23 0.60 3.74 0.00 0.00 -1.26 -4.84 105.19 102.20 1wyg n GLY 758 Ca -0.04 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1wyg n GLY 758 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wyg s GLU 759 N -3.49 4.60 -0.15 1.61 2.02 -1.00 -4.67 118.70 117.63 1wyg s GLU 759 Ca 0.00 1.73 -0.10 0.00 0.02 0.00 0.00 54.97 56.63 1wyg s GLU 759 Cb 0.00 -3.27 0.05 0.00 0.10 0.00 0.00 34.13 31.01 1wyg s GLU 759 CO 0.00 0.09 0.36 1.41 0.02 0.00 0.00 175.26 177.14 1wyg s MET 760 N -0.48 0.36 -0.14 1.61 1.75 0.11 -0.68 119.30 121.83 1wyg s MET 760 Ca 0.49 0.64 -0.03 0.00 -1.25 0.00 0.00 55.69 55.54 1wyg s MET 760 Cb -0.30 0.03 -0.03 0.00 2.84 0.00 0.00 34.83 37.38 1wyg s MET 760 CO 0.36 -0.12 -0.03 -2.00 -0.65 0.00 0.00 175.02 172.57 1wyg s GLU 761 N 0.97 3.48 -0.08 4.11 2.12 -0.54 -1.00 118.70 127.77 1wyg s GLU 761 Ca -0.06 -0.50 0.04 0.00 0.36 0.00 0.00 54.97 54.80 1wyg s GLU 761 Cb -0.07 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.46 1wyg s GLU 761 CO -0.08 0.35 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.29 1wyg s LEU 762 N 0.06 1.93 -0.45 2.70 1.02 0.90 0.07 118.68 124.91 1wyg s LEU 762 Ca 0.00 -0.46 -0.14 0.00 0.02 0.00 0.00 54.13 53.55 1wyg s LEU 762 Cb -0.13 -1.19 0.06 0.00 0.02 0.00 0.00 46.19 44.95 1wyg s LEU 762 CO 0.03 0.13 0.34 -0.36 0.02 0.00 0.00 176.35 176.51 1wyg s PHE 763 N 0.38 3.26 0.06 0.29 0.40 0.13 0.35 117.98 122.85 1wyg s PHE 763 Ca -0.15 -0.96 0.07 0.00 -0.60 0.00 0.00 56.93 55.29 1wyg s PHE 763 Cb -0.16 -2.98 -0.03 0.00 0.51 0.00 0.00 43.02 40.36 1wyg s PHE 763 CO 0.06 -0.76 -0.20 0.08 0.70 0.00 0.00 175.22 175.11 1wyg s VAL 764 N 1.61 1.63 -0.89 -0.44 1.01 -0.72 -1.05 120.40 121.55 1wyg s VAL 764 Ca 0.04 -1.27 -0.17 0.00 0.00 0.00 0.00 61.98 60.58 1wyg s VAL 764 Cb -0.23 -1.44 0.16 0.00 0.00 0.00 0.00 36.38 34.87 1wyg s VAL 764 CO 0.07 0.12 0.99 -0.55 0.00 0.00 0.00 175.10 175.73 1wyg s SER 765 N -1.36 6.66 0.18 3.32 0.15 -0.76 -4.40 113.70 117.50 1wyg s SER 765 Ca 0.07 -2.25 -0.09 0.00 0.70 0.00 0.00 55.95 54.37 1wyg s SER 765 Cb -0.09 -2.33 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 1wyg s SER 765 CO 0.02 -0.90 0.32 -0.89 1.20 0.00 0.00 173.24 173.00 1wyg s THR 766 N 1.83 0.05 -0.47 6.45 2.01 -1.26 -4.61 115.64 119.63 1wyg s THR 766 Ca 0.27 -1.40 0.05 0.00 0.31 0.00 0.00 61.69 60.91 1wyg s THR 766 Cb -0.07 -1.94 0.09 0.00 0.01 0.00 0.00 72.50 70.59 1wyg s THR 766 CO -0.09 -0.21 0.92 0.00 -0.69 0.00 0.00 174.62 174.55 1wyg n GLN 767 N -0.26 1.62 -3.45 4.92 6.02 -0.40 -4.82 117.38 121.01 1wyg n GLN 767 Ca -0.06 -1.35 -0.28 0.00 -0.01 0.00 0.00 57.00 55.30 1wyg n GLN 767 Cb 0.63 -1.10 -0.11 0.00 1.02 0.00 0.00 30.24 30.67 1wyg n GLN 767 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1wyg s ASN 768 N -0.76 2.43 0.03 1.08 2.47 -1.25 0.15 114.94 119.09 1wyg s ASN 768 Ca 0.08 -2.57 -0.21 0.00 0.42 0.00 0.00 52.86 50.58 1wyg s ASN 768 Cb 0.05 -0.46 -0.15 0.00 -1.45 0.00 0.00 41.25 39.23 1wyg s ASN 768 CO 0.06 -0.25 1.32 0.71 -3.72 0.00 0.00 177.10 175.23 1wyg h THR 769 N 4.87 1.36 -0.43 -5.21 1.35 -1.88 -2.71 112.91 110.26 1wyg h THR 769 Ca 0.14 -1.34 0.09 0.00 -0.55 0.00 0.00 66.41 64.75 1wyg h THR 769 Cb 0.94 1.94 -0.09 0.00 -1.73 0.00 0.00 68.15 69.21 1wyg h THR 769 CO 0.32 0.39 -0.19 -0.03 -0.25 0.00 0.00 175.52 175.76 1wyg h MET 770 N -0.06 -0.10 0.00 4.72 1.85 -1.94 0.14 114.93 119.54 1wyg h MET 770 Ca 0.02 0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.03 1wyg h MET 770 Cb 0.69 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.73 1wyg h MET 770 CO 0.04 -0.07 -0.40 0.87 -0.40 0.00 0.00 176.91 176.95 1wyg h LYS 771 N -0.11 0.00 -0.51 0.39 1.79 -1.88 -0.69 116.57 115.56 1wyg h LYS 771 Ca 0.21 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.59 1wyg h LYS 771 Cb 0.43 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 1wyg h LYS 771 CO -0.50 0.40 -0.05 1.15 -1.08 0.00 0.00 179.45 179.37 1wyg h THR 772 N 0.00 1.27 0.37 -0.16 2.02 -1.00 -0.69 112.91 114.71 1wyg h THR 772 Ca -0.00 -1.17 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 1wyg h THR 772 Cb 1.16 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1wyg h THR 772 CO 0.05 0.41 -0.18 -0.61 0.37 0.00 0.00 175.52 175.56 1wyg h GLN 773 N 0.81 -0.48 -0.81 6.66 4.15 -0.85 -2.31 115.11 122.27 1wyg h GLN 773 Ca 0.14 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.69 1wyg h GLN 773 Cb 0.59 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.33 1wyg h GLN 773 CO 0.04 -0.17 0.53 0.77 -1.93 0.00 0.00 178.83 178.07 1wyg h SER 774 N -0.81 0.68 0.03 -0.69 0.02 -1.09 0.14 113.55 111.83 1wyg h SER 774 Ca -0.05 0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.74 1wyg h SER 774 Cb 0.53 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1wyg h SER 774 CO 0.08 0.40 -0.65 -0.26 -1.14 0.00 0.00 176.83 175.26 1wyg h PHE 775 N 0.75 0.77 -0.20 3.45 -1.00 -1.11 -0.63 116.94 118.96 1wyg h PHE 775 Ca 0.38 -0.31 -0.16 0.00 2.81 0.00 0.00 57.97 60.69 1wyg h PHE 775 Cb 0.46 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1wyg h PHE 775 CO -0.00 1.07 -0.54 0.28 -1.61 0.00 0.00 178.31 177.51 1wyg h VAL 776 N 0.43 1.31 0.84 -0.55 2.07 -0.75 -1.71 116.25 117.89 1wyg h VAL 776 Ca -0.02 -1.78 -0.04 0.00 0.82 0.00 0.00 66.70 65.68 1wyg h VAL 776 Cb 1.23 1.74 0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1wyg h VAL 776 CO 0.12 0.56 -0.40 0.00 0.02 0.00 0.00 177.57 177.87 1wyg h ALA 777 N 0.93 -1.12 -0.81 1.67 0.00 -0.89 -0.74 119.26 118.29 1wyg h ALA 777 Ca 0.01 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 54.83 1wyg h ALA 777 Cb 1.10 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 1wyg h ALA 777 CO 0.11 -1.06 0.54 -0.22 0.00 0.00 0.00 179.25 178.62 1wyg h LYS 778 N -1.27 0.46 -0.34 0.00 3.64 -1.15 0.36 116.57 118.27 1wyg h LYS 778 Ca -0.11 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.08 1wyg h LYS 778 Cb 0.87 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1wyg h LYS 778 CO 0.19 0.30 -0.42 1.98 -2.27 0.00 0.00 179.45 179.23 1wyg h MET 779 N 0.47 0.85 0.21 1.90 4.05 -1.14 -3.11 114.93 118.16 1wyg h MET 779 Ca 0.41 -0.46 -0.35 0.00 -0.28 0.00 0.00 59.70 59.02 1wyg h MET 779 Cb 0.89 0.02 0.02 0.00 -0.80 0.00 0.00 31.60 31.73 1wyg h MET 779 CO -0.15 1.10 -1.66 -0.07 0.23 0.00 0.00 176.91 176.37 1wyg h LEU 780 N 0.69 0.69 0.00 3.39 3.38 0.31 -2.20 115.31 121.56 1wyg h LEU 780 Ca 0.05 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1wyg h LEU 780 Cb 1.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1wyg h LEU 780 CO 0.10 1.76 0.00 0.61 0.09 0.00 0.00 178.44 181.00 1wyg n GLY 781 N 1.82 1.39 3.52 0.83 0.00 0.11 -3.78 105.19 109.08 1wyg n GLY 781 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 1wyg n GLY 781 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wyg s VAL 782 N -2.00 2.82 1.02 1.61 -7.23 -1.19 -5.05 120.40 110.38 1wyg s VAL 782 Ca 0.00 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.04 1wyg s VAL 782 Cb 0.00 -2.43 0.20 0.00 0.56 0.00 0.00 36.38 34.71 1wyg s VAL 782 CO 0.00 -0.24 1.09 -2.84 -0.31 0.00 0.00 175.10 172.80 1wyg s PRO 783 N -3.11 0.25 0.57 4.82 0.02 -1.26 -4.49 135.00 131.80 1wyg s PRO 783 Ca 0.26 0.53 0.36 0.00 0.02 0.00 0.00 61.00 62.17 1wyg s PRO 783 Cb -0.07 -1.72 1.61 0.00 0.02 0.00 0.00 34.50 34.34 1wyg s PRO 783 CO 0.14 -2.85 2.07 -0.44 -0.33 0.00 0.00 177.00 175.59 1wyg h ASP 784 N -1.98 0.00 -0.89 2.53 3.32 -1.93 -2.87 116.42 114.59 1wyg h ASP 784 Ca -0.55 0.00 0.23 0.00 0.02 0.00 0.00 57.03 56.73 1wyg h ASP 784 Cb 1.33 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.72 1wyg h ASP 784 CO 0.57 0.00 0.06 0.78 -1.72 0.00 0.00 179.24 178.93 1wyg h ASN 785 N 0.00 -0.34 0.82 6.45 2.35 -2.00 -0.90 115.58 121.95 1wyg h ASN 785 Ca 0.00 0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1wyg h ASN 785 Cb 0.39 0.39 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1wyg h ASN 785 CO 0.00 -0.26 -0.14 0.54 -1.65 0.00 0.00 177.43 175.92 1wyg n ARG 786 N -5.39 0.05 -4.41 0.81 5.12 -1.08 -4.86 116.66 106.90 1wyg n ARG 786 Ca 0.20 -0.01 -0.34 0.00 -1.93 0.00 0.00 57.85 55.77 1wyg n ARG 786 Cb 0.65 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 30.32 1wyg n ARG 786 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1wyg s ILE 787 N -2.96 3.50 -0.08 0.55 -1.09 -0.35 -0.71 121.20 120.06 1wyg s ILE 787 Ca 0.14 -0.49 0.05 0.00 -2.23 0.00 0.00 60.65 58.12 1wyg s ILE 787 Cb 0.19 -2.53 -0.00 0.00 -1.58 0.00 0.00 42.46 38.54 1wyg s ILE 787 CO 0.57 0.49 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.85 1wyg s VAL 788 N 0.62 1.95 -0.14 2.92 1.01 -0.17 -4.95 120.40 121.64 1wyg s VAL 788 Ca -0.04 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1wyg s VAL 788 Cb -0.15 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1wyg s VAL 788 CO 0.03 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 174.82 1wyg s VAL 789 N 0.17 2.71 -0.12 2.92 1.01 -1.26 -0.07 120.40 125.76 1wyg s VAL 789 Ca -0.12 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1wyg s VAL 789 Cb -0.16 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.10 1wyg s VAL 789 CO 0.06 0.53 -0.23 -0.13 0.00 0.00 0.00 175.10 175.33 1wyg s ARG 790 N 0.57 3.04 -0.20 2.72 0.52 0.16 -2.31 118.95 123.45 1wyg s ARG 790 Ca -0.10 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.25 1wyg s ARG 790 Cb -0.16 -2.36 0.04 0.00 0.52 0.00 0.00 34.95 32.99 1wyg s ARG 790 CO 0.04 0.09 -0.09 0.08 0.02 0.00 0.00 175.30 175.44 1wyg s VAL 791 N 0.56 1.54 -0.15 3.52 1.01 0.59 -1.75 120.40 125.70 1wyg s VAL 791 Ca -0.14 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.67 1wyg s VAL 791 Cb -0.17 -1.65 -0.19 0.00 0.00 0.00 0.00 36.38 34.37 1wyg s VAL 791 CO 0.04 0.14 0.45 0.50 0.00 0.00 0.00 175.10 176.23 1wyg h LYS 792 N 8.00 0.00 -2.45 2.72 3.64 -1.83 -0.19 116.57 126.44 1wyg h LYS 792 Ca -0.26 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.19 1wyg h LYS 792 Cb 1.10 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.77 1wyg h LYS 792 CO 0.46 0.81 0.42 -0.98 -2.27 0.00 0.00 179.45 177.88 1wyg s ARG 793 N -2.18 0.94 0.08 1.90 1.70 -1.26 -4.57 118.95 115.56 1wyg s ARG 793 Ca -0.19 -0.33 0.10 0.00 -0.47 0.00 0.00 55.73 54.83 1wyg s ARG 793 Cb 0.00 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 34.78 1wyg s ARG 793 CO 0.54 -0.41 -0.26 -1.64 -1.08 0.00 0.00 175.30 172.46 1wyg s MET 794 N -3.24 1.65 -1.29 3.89 -1.94 0.29 -4.70 119.30 113.96 1wyg s MET 794 Ca 0.04 -1.21 -0.07 0.00 -1.71 0.00 0.00 55.69 52.74 1wyg s MET 794 Cb -0.01 -1.96 0.15 0.00 2.01 0.00 0.00 34.83 35.02 1wyg s MET 794 CO -0.10 0.49 2.09 0.41 -0.01 0.00 0.00 175.02 177.90 1wyg n GLY 795 N 1.37 5.03 0.00 -0.03 0.00 -1.26 -4.14 105.19 106.15 1wyg n GLY 795 Ca -0.17 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.73 1wyg n GLY 795 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wyg n GLY 796 N 2.17 -0.84 2.01 -0.02 0.00 -0.89 -2.33 105.19 105.30 1wyg n GLY 796 Ca 0.50 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1wyg n GLY 796 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wyg n GLY 797 N -0.14 -0.48 3.98 -0.02 0.00 -1.26 -4.84 105.19 102.42 1wyg n GLY 797 Ca 0.00 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1wyg n GLY 797 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wyg n PHE 798 N -2.58 -1.42 0.00 1.61 3.01 -1.26 0.42 117.46 117.24 1wyg n PHE 798 Ca 0.00 0.52 0.00 0.00 1.01 0.00 0.00 57.45 58.98 1wyg n PHE 798 Cb 0.00 -1.76 0.00 0.00 -0.01 0.00 0.00 39.48 37.71 1wyg n PHE 798 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wyg n GLY 799 N -0.95 1.86 0.16 1.37 0.00 -1.26 -1.98 105.19 104.40 1wyg n GLY 799 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1wyg n GLY 799 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wyg h GLY 800 N 0.00 0.00 -0.87 -0.02 0.00 -0.10 -2.88 103.07 99.20 1wyg h GLY 800 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1wyg h GLY 800 CO 0.00 0.00 -0.25 0.28 0.00 0.00 0.00 176.54 176.57 1wyg n LYS 801 N -2.54 1.62 0.16 4.80 5.02 -1.24 -4.06 118.16 121.91 1wyg n LYS 801 Ca 0.04 -3.03 0.09 0.00 -2.02 0.00 0.00 58.31 53.39 1wyg n LYS 801 Cb 0.37 -1.63 0.08 0.00 -0.02 0.00 0.00 35.03 33.84 1wyg n LYS 801 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1wyg h GLU 802 N 0.73 0.00 0.00 1.97 4.81 -1.84 -1.05 114.58 119.21 1wyg h GLU 802 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1wyg h GLU 802 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1wyg h GLU 802 CO 0.07 0.14 0.00 0.25 -0.73 0.00 0.00 179.01 178.74 1wyg n THR 803 N -3.03 0.00 0.82 0.32 -2.24 -1.26 -4.50 114.28 104.39 1wyg n THR 803 Ca 0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1wyg n THR 803 Cb 0.61 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 69.09 1wyg n THR 803 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wyg n ARG 804 N 0.00 0.12 -0.18 -0.78 5.12 -1.26 -3.48 116.66 116.20 1wyg n ARG 804 Ca 0.00 0.04 -0.08 0.00 -1.93 0.00 0.00 57.85 55.87 1wyg n ARG 804 Cb 0.00 -1.58 0.05 0.00 -1.16 0.00 0.00 32.46 29.77 1wyg n ARG 804 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1wyg h SER 805 N 0.00 0.99 -0.29 0.55 4.64 -1.83 -2.72 113.55 114.89 1wyg h SER 805 Ca 0.00 -0.29 0.08 0.00 -0.47 0.00 0.00 61.79 61.11 1wyg h SER 805 Cb 0.60 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1wyg h SER 805 CO 0.00 1.06 0.39 0.71 -0.87 0.00 0.00 176.83 178.12 1wyg h THR 806 N 0.91 0.29 0.00 2.95 1.35 -1.93 0.51 112.91 116.99 1wyg h THR 806 Ca 0.16 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.01 1wyg h THR 806 Cb 0.58 0.67 -0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1wyg h THR 806 CO 0.03 0.00 -0.03 1.62 -0.25 0.00 0.00 175.52 176.89 1wyg h VAL 807 N 0.00 0.17 0.02 6.82 3.04 -1.69 -1.76 116.25 122.84 1wyg h VAL 807 Ca 0.14 -0.32 -0.37 0.00 -1.01 0.00 0.00 66.70 65.14 1wyg h VAL 807 Cb 0.92 1.26 -0.05 0.00 -2.01 0.00 0.00 31.29 31.41 1wyg h VAL 807 CO -0.00 0.03 -2.09 0.52 -1.01 0.00 0.00 177.57 175.02 1wyg n VAL 808 N -3.26 1.56 -0.12 1.51 0.31 0.17 -4.09 118.33 114.42 1wyg n VAL 808 Ca -0.02 -0.36 -0.07 0.00 -0.01 0.00 0.00 64.34 63.89 1wyg n VAL 808 Cb 0.19 -1.82 -0.05 0.00 -0.91 0.00 0.00 33.84 31.25 1wyg n VAL 808 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1wyg h SER 809 N -0.66 -1.07 -0.88 4.52 0.02 -1.05 -1.72 113.55 112.71 1wyg h SER 809 Ca -0.54 0.15 0.15 0.00 -0.84 0.00 0.00 61.79 60.70 1wyg h SER 809 Cb 1.64 0.45 -0.09 0.00 0.14 0.00 0.00 62.40 64.53 1wyg h SER 809 CO -0.23 -0.20 0.48 0.71 -1.14 0.00 0.00 176.83 176.45 1wyg h THR 810 N -0.16 0.75 -0.41 -2.27 1.35 -1.56 -0.56 112.91 110.05 1wyg h THR 810 Ca 0.05 -0.23 0.05 0.00 -0.55 0.00 0.00 66.41 65.73 1wyg h THR 810 Cb 0.30 0.01 -0.05 0.00 -1.73 0.00 0.00 68.15 66.68 1wyg h THR 810 CO -0.38 0.12 0.13 0.00 -0.25 0.00 0.00 175.52 175.14 1wyg h ALA 811 N 1.57 0.47 -0.29 6.62 0.00 -1.48 -1.57 119.26 124.58 1wyg h ALA 811 Ca 0.48 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 1wyg h ALA 811 Cb 0.67 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1wyg h ALA 811 CO -0.35 -0.27 0.05 -0.07 0.00 0.00 0.00 179.25 178.61 1wyg h LEU 812 N 0.28 0.45 -0.78 0.00 3.38 -0.75 -2.22 115.31 115.66 1wyg h LEU 812 Ca 0.19 -0.26 0.17 0.00 0.09 0.00 0.00 57.88 58.08 1wyg h LEU 812 Cb 0.19 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 40.71 1wyg h LEU 812 CO -0.21 0.59 0.25 0.00 0.09 0.00 0.00 178.44 179.16 1wyg h ALA 813 N 0.88 1.09 0.00 1.53 0.00 -0.73 0.64 119.26 122.66 1wyg h ALA 813 Ca 0.09 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1wyg h ALA 813 Cb 0.33 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wyg h ALA 813 CO 0.00 -0.32 -0.31 1.25 0.00 0.00 0.00 179.25 179.88 1wyg h LEU 814 N 0.33 0.00 -0.16 0.00 5.85 -0.97 0.87 115.31 121.23 1wyg h LEU 814 Ca 0.45 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 59.00 1wyg h LEU 814 Cb 0.79 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.82 1wyg h LEU 814 CO -0.50 0.31 -0.59 0.00 -0.34 0.00 0.00 178.44 177.32 1wyg h ALA 815 N 1.69 0.28 0.66 1.25 0.00 0.73 -2.66 119.26 121.21 1wyg h ALA 815 Ca -0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1wyg h ALA 815 Cb 0.69 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1wyg h ALA 815 CO 0.04 0.52 -0.32 0.00 0.00 0.00 0.00 179.25 179.50 1wyg h ALA 816 N 0.54 -1.09 0.00 0.00 0.00 -0.36 -1.87 119.26 116.48 1wyg h ALA 816 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wyg h ALA 816 Cb 1.22 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1wyg h ALA 816 CO 0.12 -1.03 0.43 1.25 0.00 0.00 0.00 179.25 180.03 1wyg h HIS 817 N -0.99 0.00 0.00 0.00 -0.00 -0.92 0.41 115.15 113.65 1wyg h HIS 817 Ca -0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.26 1wyg h HIS 817 Cb 0.68 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.08 1wyg h HIS 817 CO 0.05 0.00 -1.81 1.17 -0.00 0.00 0.00 177.93 177.34 1wyg n LYS 818 N -2.51 0.57 -0.03 5.26 4.81 -1.00 -4.52 118.16 120.73 1wyg n LYS 818 Ca -0.01 -0.15 0.02 0.00 -0.87 0.00 0.00 58.31 57.30 1wyg n LYS 818 Cb 0.46 -1.41 -0.12 0.00 0.02 0.00 0.00 35.03 33.98 1wyg n LYS 818 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1wyg n THR 819 N -2.13 0.38 0.00 3.15 -2.24 -0.51 -4.96 114.28 107.96 1wyg n THR 819 Ca -0.04 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1wyg n THR 819 Cb 0.48 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1wyg n THR 819 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wyg n GLY 820 N 1.77 2.87 3.92 3.38 0.00 0.13 -5.00 105.19 112.28 1wyg n GLY 820 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 1wyg n GLY 820 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wyg s ARG 821 N -0.13 3.52 0.21 1.61 0.52 -1.26 -4.64 118.95 118.79 1wyg s ARG 821 Ca 0.00 -0.08 -0.30 0.00 -0.52 0.00 0.00 55.73 54.83 1wyg s ARG 821 Cb 0.00 -2.54 -0.08 0.00 0.52 0.00 0.00 34.95 32.84 1wyg s ARG 821 CO 0.00 0.01 1.19 -2.14 0.02 0.00 0.00 175.30 174.38 1wyg s PRO 822 N -4.42 4.50 0.04 3.54 0.02 -1.26 -4.35 135.00 133.07 1wyg s PRO 822 Ca 0.43 1.89 0.08 0.00 0.02 0.00 0.00 61.00 63.42 1wyg s PRO 822 Cb -0.10 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.17 1wyg s PRO 822 CO 0.39 -0.05 -0.23 0.08 -0.33 0.00 0.00 177.00 176.86 1wyg s VAL 823 N -0.29 1.84 0.03 3.83 1.01 -0.19 0.28 120.40 126.90 1wyg s VAL 823 Ca 0.51 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1wyg s VAL 823 Cb -0.33 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1wyg s VAL 823 CO 0.38 0.30 -0.08 -0.60 0.00 0.00 0.00 175.10 175.11 1wyg s ARG 824 N -1.10 0.54 -0.10 2.72 3.52 -0.65 -0.48 118.95 123.39 1wyg s ARG 824 Ca 0.09 -0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 55.08 1wyg s ARG 824 Cb -0.09 -0.40 0.05 0.00 -1.56 0.00 0.00 34.95 32.95 1wyg s ARG 824 CO 0.01 0.09 0.20 0.00 -0.81 0.00 0.00 175.30 174.79 1wyg s MET 826 N 2.34 2.79 0.24 0.00 0.00 -1.26 -1.29 119.30 122.11 1wyg s MET 826 Ca 0.02 -1.01 -0.30 0.00 0.00 0.00 0.00 55.69 54.41 1wyg s MET 826 Cb -0.12 -3.01 -0.09 0.00 0.00 0.00 0.00 34.83 31.61 1wyg s MET 826 CO -0.07 -0.43 1.24 -0.51 0.00 0.00 0.00 175.02 175.26 1wyg s LEU 827 N 1.32 4.45 0.79 4.11 1.43 0.17 -5.02 118.68 125.93 1wyg s LEU 827 Ca -0.01 2.41 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 1wyg s LEU 827 Cb -0.17 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.49 1wyg s LEU 827 CO -0.04 -0.42 1.09 -1.81 0.23 0.00 0.00 176.35 175.40 1wyg s ASP 828 N -0.14 4.50 0.12 2.29 1.01 -1.26 -4.59 116.67 118.60 1wyg s ASP 828 Ca 0.52 1.42 -0.20 0.00 0.71 0.00 0.00 52.55 54.99 1wyg s ASP 828 Cb -0.36 -2.17 -0.06 0.00 1.01 0.00 0.00 42.92 41.35 1wyg s ASP 828 CO 0.42 -1.98 1.75 -0.09 0.21 0.00 0.00 175.17 175.48 1wyg h ARG 829 N -1.09 0.16 -0.48 8.23 9.65 -1.84 -0.05 114.38 128.95 1wyg h ARG 829 Ca -0.47 -0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.45 1wyg h ARG 829 Cb 1.26 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.78 1wyg h ARG 829 CO 0.58 0.10 0.32 0.38 2.80 0.00 0.00 179.97 184.15 1wyg h ASP 830 N 0.16 0.40 0.07 -3.80 -0.00 -1.89 0.67 116.42 112.03 1wyg h ASP 830 Ca 0.08 -0.00 -0.27 0.00 -0.00 0.00 0.00 57.03 56.84 1wyg h ASP 830 Cb 0.04 -0.09 0.02 0.00 -0.00 0.00 0.00 39.33 39.30 1wyg h ASP 830 CO -0.07 0.27 -1.08 -0.33 -0.00 0.00 0.00 179.24 178.03 1wyg h GLU 831 N 0.46 0.61 0.10 4.15 5.08 -1.77 -2.20 114.58 121.02 1wyg h GLU 831 Ca 0.20 -0.75 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1wyg h GLU 831 Cb 0.23 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1wyg h GLU 831 CO -0.05 1.33 -0.05 0.22 -1.00 0.00 0.00 179.01 179.46 1wyg h ASP 832 N 0.24 -0.11 -0.52 1.42 3.58 -0.25 0.15 116.42 120.93 1wyg h ASP 832 Ca -0.15 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.20 1wyg h ASP 832 Cb 1.76 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.81 1wyg h ASP 832 CO 0.21 0.03 0.33 0.24 -2.88 0.00 0.00 179.24 177.16 1wyg h MET 833 N -0.24 0.70 0.09 0.28 2.86 -0.99 0.19 114.93 117.81 1wyg h MET 833 Ca -0.01 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1wyg h MET 833 Cb 0.20 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1wyg h MET 833 CO 0.02 0.49 -0.04 1.25 1.06 0.00 0.00 176.91 179.69 1wyg h LEU 834 N 0.70 -0.10 0.05 1.22 5.85 -1.29 -3.37 115.31 118.38 1wyg h LEU 834 Ca 0.19 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1wyg h LEU 834 Cb -0.04 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1wyg h LEU 834 CO -0.04 0.09 -0.02 0.40 -0.34 0.00 0.00 178.44 178.53 1wyg h ILE 835 N -0.28 1.13 0.00 4.05 2.04 -0.57 -3.39 117.51 120.49 1wyg h ILE 835 Ca -0.01 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.22 1wyg h ILE 835 Cb 0.24 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1wyg h ILE 835 CO 0.02 0.35 0.00 0.35 0.00 0.00 0.00 178.15 178.87 1wyg n THR 836 N -4.75 0.99 -4.52 -0.27 -2.24 0.64 -4.76 114.28 99.37 1wyg n THR 836 Ca -0.07 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1wyg n THR 836 Cb 0.30 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1wyg n THR 836 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wyg n GLY 837 N -0.54 -0.02 0.00 3.38 0.00 -1.25 -4.77 105.19 101.99 1wyg n GLY 837 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1wyg n GLY 837 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wyg n GLY 838 N 0.00 -0.69 3.74 -0.02 0.00 -1.26 -4.77 105.19 102.19 1wyg n GLY 838 Ca 0.00 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1wyg n GLY 838 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wyg s ARG 839 N -0.45 2.39 -0.17 1.61 3.52 -0.13 -1.04 118.95 124.69 1wyg s ARG 839 Ca 0.00 1.60 -0.27 0.00 -0.13 0.00 0.00 55.73 56.93 1wyg s ARG 839 Cb 0.00 -1.88 -0.01 0.00 -1.56 0.00 0.00 34.95 31.50 1wyg s ARG 839 CO 0.00 -1.61 0.91 -1.01 -0.81 0.00 0.00 175.30 172.78 1wyg s HIS 840 N -2.14 3.43 0.39 5.12 3.76 -1.26 -4.10 115.29 120.47 1wyg s HIS 840 Ca 0.71 1.37 -0.25 0.00 -0.15 0.00 0.00 55.06 56.74 1wyg s HIS 840 Cb -0.25 -3.10 -0.09 0.00 1.11 0.00 0.00 32.58 30.25 1wyg s HIS 840 CO 0.44 -0.28 1.15 -2.14 -0.85 0.00 0.00 174.74 173.05 1wyg s PRO 841 N 2.32 4.13 0.10 8.40 0.02 -1.26 -4.72 135.00 143.99 1wyg s PRO 841 Ca 0.42 1.79 0.08 0.00 0.02 0.00 0.00 61.00 63.30 1wyg s PRO 841 Cb -0.17 -2.71 -0.03 0.00 0.02 0.00 0.00 34.50 31.61 1wyg s PRO 841 CO 0.12 -0.24 -0.20 -0.06 -0.33 0.00 0.00 177.00 176.29 1wyg s PHE 842 N -1.43 1.77 -0.15 6.54 0.08 -0.30 -2.23 117.98 122.26 1wyg s PHE 842 Ca 0.56 -0.42 -0.02 0.00 0.12 0.00 0.00 56.93 57.17 1wyg s PHE 842 Cb -0.30 -0.96 0.04 0.00 -0.57 0.00 0.00 43.02 41.23 1wyg s PHE 842 CO 0.37 0.20 -0.01 -1.17 -0.10 0.00 0.00 175.22 174.52 1wyg s LEU 843 N -1.93 1.21 0.03 -0.37 2.96 -0.54 -0.41 118.68 119.63 1wyg s LEU 843 Ca 0.06 -0.58 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 1wyg s LEU 843 Cb -0.10 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 1wyg s LEU 843 CO 0.04 -0.23 -0.03 0.00 -1.32 0.00 0.00 176.35 174.82 1wyg s ALA 844 N 1.80 3.19 -0.38 5.97 0.00 -0.01 -1.15 121.76 131.17 1wyg s ALA 844 Ca 0.01 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1wyg s ALA 844 Cb -0.15 -1.22 0.12 0.00 0.00 0.00 0.00 23.12 21.87 1wyg s ALA 844 CO -0.07 0.65 0.18 0.15 0.00 0.00 0.00 175.76 176.67 1wyg s LYS 845 N -1.74 0.98 0.35 0.00 1.02 -1.00 -2.18 119.74 117.18 1wyg s LYS 845 Ca 0.20 -1.58 0.07 0.00 0.02 0.00 0.00 55.97 54.69 1wyg s LYS 845 Cb -0.11 -2.07 -0.02 0.00 -0.52 0.00 0.00 37.83 35.11 1wyg s LYS 845 CO 0.12 -1.11 0.35 1.52 -0.92 0.00 0.00 175.35 175.31 1wyg s TYR 846 N 0.90 2.90 -0.29 3.18 -0.85 -0.84 -2.27 117.35 120.08 1wyg s TYR 846 Ca 0.15 -0.33 0.05 0.00 -0.52 0.00 0.00 57.07 56.42 1wyg s TYR 846 Cb -0.22 -1.92 0.19 0.00 0.38 0.00 0.00 41.96 40.39 1wyg s TYR 846 CO -0.08 0.07 0.54 0.21 -1.52 0.00 0.00 175.55 174.76 1wyg s LYS 847 N -4.07 0.52 -0.05 -3.49 2.20 -0.94 -2.33 119.74 111.59 1wyg s LYS 847 Ca 0.44 0.45 -0.05 0.00 -0.36 0.00 0.00 55.97 56.45 1wyg s LYS 847 Cb -0.06 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.32 1wyg s LYS 847 CO 0.28 -1.03 0.18 0.54 -0.36 0.00 0.00 175.35 174.95 1wyg s VAL 848 N 2.75 5.45 -0.13 4.02 0.11 -0.64 -2.88 120.40 129.09 1wyg s VAL 848 Ca 0.10 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1wyg s VAL 848 Cb -0.11 -3.49 -0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1wyg s VAL 848 CO -0.27 0.44 -0.19 -0.83 -3.33 0.00 0.00 175.10 170.92 1wyg s GLY 849 N -1.58 1.41 0.18 6.54 0.00 0.20 -1.75 107.32 112.32 1wyg s GLY 849 Ca 0.23 -1.00 -0.11 0.00 0.00 0.00 0.00 44.72 43.83 1wyg s GLY 849 CO 0.13 -0.15 0.35 -0.11 0.00 0.00 0.00 173.10 173.33 1wyg s PHE 850 N 0.57 0.27 0.46 1.90 -0.12 -1.00 0.22 117.98 120.27 1wyg s PHE 850 Ca -0.11 -0.63 0.00 0.00 -0.05 0.00 0.00 56.93 56.14 1wyg s PHE 850 Cb -0.16 0.07 -0.00 0.00 -0.63 0.00 0.00 43.02 42.29 1wyg s PHE 850 CO 0.04 -0.78 0.68 -1.64 -0.05 0.00 0.00 175.22 173.47 1wyg s MET 851 N -3.95 3.02 0.47 1.99 -1.94 0.44 -0.85 119.30 118.49 1wyg s MET 851 Ca 0.15 -0.51 0.13 0.00 -1.71 0.00 0.00 55.69 53.75 1wyg s MET 851 Cb 0.02 -2.55 1.11 0.00 2.01 0.00 0.00 34.83 35.42 1wyg s MET 851 CO -0.00 -0.31 2.10 0.87 -0.01 0.00 0.00 175.02 177.66 1wyg h LYS 852 N 0.37 0.23 0.00 2.03 1.57 -1.96 -1.06 116.57 117.75 1wyg h LYS 852 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1wyg h LYS 852 Cb 1.26 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1wyg h LYS 852 CO 0.57 0.15 0.00 0.25 -0.57 0.00 0.00 179.45 179.85 1wyg n THR 853 N -4.50 1.31 0.00 -0.16 -2.24 -1.26 -4.84 114.28 102.59 1wyg n THR 853 Ca 0.01 0.41 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 1wyg n THR 853 Cb 0.12 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 1wyg n THR 853 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wyg n GLY 854 N -0.71 3.10 3.59 3.38 0.00 -0.40 -4.97 105.19 109.18 1wyg n GLY 854 Ca 0.01 -0.99 -0.60 0.00 0.00 0.00 0.00 46.02 44.45 1wyg n GLY 854 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wyg n THR 855 N 0.00 0.02 -3.63 2.61 -1.04 -1.26 -4.57 114.28 106.40 1wyg n THR 855 Ca 0.00 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 1wyg n THR 855 Cb 0.00 -0.32 -0.06 0.00 -1.82 0.00 0.00 70.33 68.13 1wyg n THR 855 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1wyg s VAL 856 N 1.03 5.20 0.00 12.58 0.11 -1.26 -0.42 120.40 137.64 1wyg s VAL 856 Ca 0.94 0.62 0.00 0.00 -2.93 0.00 0.00 61.98 60.61 1wyg s VAL 856 Cb -1.26 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 29.98 1wyg s VAL 856 CO 0.62 0.59 0.25 1.33 -3.33 0.00 0.00 175.10 174.57 1wyg n VAL 857 N 1.89 0.00 -3.63 2.04 0.24 0.13 -4.78 118.33 114.23 1wyg n VAL 857 Ca -0.16 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.34 61.75 1wyg n VAL 857 Cb 0.53 1.41 -0.07 0.00 -1.47 0.00 0.00 33.84 34.24 1wyg n VAL 857 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wyg s ALA 858 N -0.05 -1.85 0.01 2.33 0.00 -0.69 -3.89 121.76 117.62 1wyg s ALA 858 Ca 0.00 2.14 -0.02 0.00 0.00 0.00 0.00 51.96 54.08 1wyg s ALA 858 Cb 0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 1wyg s ALA 858 CO 0.00 -0.34 0.03 -1.17 0.00 0.00 0.00 175.76 174.28 1wyg s LEU 859 N 0.77 1.99 -0.29 0.00 2.96 -0.09 0.59 118.68 124.62 1wyg s LEU 859 Ca -0.03 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1wyg s LEU 859 Cb -0.05 0.27 0.18 0.00 0.50 0.00 0.00 46.19 47.09 1wyg s LEU 859 CO -0.07 -0.28 0.55 -0.70 -1.32 0.00 0.00 176.35 174.53 1wyg s GLU 860 N -1.22 0.52 0.01 1.98 2.12 -1.14 -2.31 118.70 118.66 1wyg s GLU 860 Ca -0.13 0.67 0.07 0.00 0.36 0.00 0.00 54.97 55.94 1wyg s GLU 860 Cb -0.08 0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.50 1wyg s GLU 860 CO -0.00 -0.84 -0.21 0.08 -0.54 0.00 0.00 175.26 173.76 1wyg s VAL 861 N 2.77 2.56 -0.30 3.70 1.01 -0.87 -2.22 120.40 127.06 1wyg s VAL 861 Ca 0.14 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1wyg s VAL 861 Cb -0.13 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 34.33 1wyg s VAL 861 CO -0.23 0.46 0.01 0.00 0.00 0.00 0.00 175.10 175.34 1wyg s ALA 862 N -0.78 2.34 0.28 5.51 0.00 -0.96 -1.04 121.76 127.11 1wyg s ALA 862 Ca 0.12 -1.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.04 1wyg s ALA 862 Cb -0.10 -1.71 -0.07 0.00 0.00 0.00 0.00 23.12 21.24 1wyg s ALA 862 CO 0.02 -1.49 0.61 -1.01 0.00 0.00 0.00 175.76 173.89 1wyg s HIS 863 N 1.20 3.44 -0.21 0.00 3.76 0.52 -2.38 115.29 121.61 1wyg s HIS 863 Ca 0.04 0.88 -0.04 0.00 -0.15 0.00 0.00 55.06 55.79 1wyg s HIS 863 Cb -0.19 -2.28 0.09 0.00 1.11 0.00 0.00 32.58 31.31 1wyg s HIS 863 CO -0.10 0.17 0.17 -0.06 -0.85 0.00 0.00 174.74 174.06 1wyg s PHE 864 N -1.99 -0.03 -0.06 1.40 0.40 -0.30 -2.24 117.98 115.15 1wyg s PHE 864 Ca 0.48 -0.19 -0.06 0.00 -0.60 0.00 0.00 56.93 56.56 1wyg s PHE 864 Cb -0.11 -0.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 1wyg s PHE 864 CO 0.24 -0.64 0.18 -1.54 0.70 0.00 0.00 175.22 174.17 1wyg s SER 865 N 2.23 6.41 -0.61 1.36 1.04 -0.73 -1.47 113.70 121.93 1wyg s SER 865 Ca 0.06 0.46 -0.22 0.00 0.48 0.00 0.00 55.95 56.72 1wyg s SER 865 Cb -0.16 -2.06 0.06 0.00 0.10 0.00 0.00 66.02 63.97 1wyg s SER 865 CO -0.17 0.34 0.89 0.21 0.98 0.00 0.00 173.24 175.49 1wyg s ASN 866 N -1.41 6.22 0.04 7.02 3.84 -0.94 0.18 114.94 129.89 1wyg s ASN 866 Ca 0.21 -0.86 -0.19 0.00 0.21 0.00 0.00 52.86 52.23 1wyg s ASN 866 Cb -0.13 -2.40 -0.15 0.00 -0.55 0.00 0.00 41.25 38.03 1wyg s ASN 866 CO 0.11 -1.29 1.31 1.23 -2.79 0.00 0.00 177.10 175.67 1wyg h GLY 867 N 10.93 0.48 0.00 1.21 0.00 -1.20 -3.40 103.07 111.10 1wyg h GLY 867 Ca -0.28 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1wyg h GLY 867 CO 1.12 0.49 0.00 0.61 0.00 0.00 0.00 176.54 178.77 1wyg n GLY 868 N 0.35 -1.39 0.35 4.60 0.00 -1.13 -1.03 105.19 106.94 1wyg n GLY 868 Ca -0.06 -2.08 0.17 0.00 0.00 0.00 0.00 46.02 44.05 1wyg n GLY 868 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1wyg h ASN 869 N 0.00 0.00 -4.89 1.61 -0.73 0.90 -3.04 115.58 109.43 1wyg h ASN 869 Ca 0.00 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 57.96 1wyg h ASN 869 Cb 0.00 0.00 -0.20 0.00 0.27 0.00 0.00 38.32 38.39 1wyg h ASN 869 CO 0.00 0.00 -0.71 -0.89 -0.37 0.00 0.00 177.43 175.46 1wyg s THR 870 N -4.91 0.33 0.07 -3.57 2.01 -1.26 -4.91 115.64 103.41 1wyg s THR 870 Ca -0.05 -1.16 -0.34 0.00 0.31 0.00 0.00 61.69 60.45 1wyg s THR 870 Cb 0.18 -0.65 -0.19 0.00 0.01 0.00 0.00 72.50 71.85 1wyg s THR 870 CO 0.66 -0.54 1.61 -0.08 -0.69 0.00 0.00 174.62 175.59 1wyg h GLU 871 N 4.29 -0.98 0.00 4.92 4.81 -1.92 -3.43 114.58 122.26 1wyg h GLU 871 Ca -0.34 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1wyg h GLU 871 Cb 1.20 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1wyg h GLU 871 CO 0.46 -0.65 0.00 -3.47 -0.73 0.00 0.00 179.01 174.61 1wyg n ASP 872 N -5.53 0.00 -0.65 1.04 -0.08 -1.26 -1.99 116.55 108.08 1wyg n ASP 872 Ca -0.14 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.26 1wyg n ASP 872 Cb 0.41 0.00 0.38 0.00 2.34 0.00 0.00 41.12 44.25 1wyg n ASP 872 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1wyg n LEU 873 N 0.00 2.02 -0.25 -2.67 4.77 -1.26 -4.65 117.00 114.96 1wyg n LEU 873 Ca 0.00 -0.72 -0.06 0.00 -0.03 0.00 0.00 56.01 55.19 1wyg n LEU 873 Cb 0.00 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 1wyg n LEU 873 CO 0.00 0.36 0.46 -1.20 -1.33 0.00 0.00 177.39 175.68 1wyg n SER 874 N 0.57 -0.62 0.27 -1.43 7.64 -0.84 -0.21 113.62 118.99 1wyg n SER 874 Ca 0.17 1.41 0.18 0.00 1.01 0.00 0.00 58.87 61.64 1wyg n SER 874 Cb 0.43 -0.32 0.90 0.00 -1.01 0.00 0.00 64.21 64.21 1wyg n SER 874 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1wyg h ARG 875 N 0.00 0.00 0.00 1.43 2.43 -1.82 0.23 114.38 116.65 1wyg h ARG 875 Ca 0.09 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 1wyg h ARG 875 Cb 0.24 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1wyg h ARG 875 CO -0.55 0.00 -1.12 1.03 -1.51 0.00 0.00 179.97 177.82 1wyg h SER 876 N 0.00 0.00 -0.23 -3.80 0.87 -0.93 -2.99 113.55 106.47 1wyg h SER 876 Ca 0.05 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.48 1wyg h SER 876 Cb 0.51 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1wyg h SER 876 CO -0.00 0.45 -0.35 0.40 -0.53 0.00 0.00 176.83 176.81 1wyg h ILE 877 N 0.00 1.32 0.00 2.23 2.04 0.66 -2.46 117.51 121.30 1wyg h ILE 877 Ca -0.10 -1.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.17 1wyg h ILE 877 Cb 1.43 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 1wyg h ILE 877 CO 0.04 0.49 -0.19 -0.03 0.00 0.00 0.00 178.15 178.45 1wyg h MET 878 N 0.34 0.00 -0.03 2.37 4.05 -1.26 -0.82 114.93 119.57 1wyg h MET 878 Ca 0.02 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.28 1wyg h MET 878 Cb 0.93 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.72 1wyg h MET 878 CO 0.08 0.19 -0.71 0.93 0.23 0.00 0.00 176.91 177.63 1wyg h GLU 879 N 0.00 0.19 -0.22 0.39 5.08 -1.36 -2.50 114.58 116.16 1wyg h GLU 879 Ca -0.00 -0.16 -0.18 0.00 -1.00 0.00 0.00 59.36 58.02 1wyg h GLU 879 Cb 0.39 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1wyg h GLU 879 CO 0.03 0.82 -0.58 -0.09 -1.00 0.00 0.00 179.01 178.18 1wyg h ARG 880 N 0.13 0.71 0.55 2.33 2.43 -0.75 -2.37 114.38 117.41 1wyg h ARG 880 Ca -0.02 -0.47 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 1wyg h ARG 880 Cb 1.26 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1wyg h ARG 880 CO 0.11 1.09 -0.40 0.00 -1.51 0.00 0.00 179.97 179.26 1wyg h ALA 881 N 0.80 -1.15 -1.05 2.80 0.00 -1.11 -2.00 119.26 117.55 1wyg h ALA 881 Ca 0.00 -0.18 0.27 0.00 0.00 0.00 0.00 54.91 55.00 1wyg h ALA 881 Cb 1.17 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 19.44 1wyg h ALA 881 CO 0.12 -1.14 0.68 -0.07 0.00 0.00 0.00 179.25 178.84 1wyg h LEU 882 N -0.91 0.39 -0.41 0.00 3.38 -1.47 0.67 115.31 116.96 1wyg h LEU 882 Ca -0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wyg h LEU 882 Cb 0.75 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1wyg h LEU 882 CO 0.03 0.08 0.00 0.49 0.09 0.00 0.00 178.44 179.13 1wyg n PHE 883 N -4.58 0.37 -2.28 1.13 3.72 -0.78 -3.09 117.46 111.95 1wyg n PHE 883 Ca 0.25 0.16 0.04 0.00 -0.05 0.00 0.00 57.45 57.85 1wyg n PHE 883 Cb 0.91 -0.75 0.07 0.00 -0.94 0.00 0.00 39.48 38.77 1wyg n PHE 883 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1wyg n HIS 884 N -1.85 0.08 0.58 1.38 8.25 0.23 -4.76 115.22 119.13 1wyg n HIS 884 Ca 0.02 -0.83 0.13 0.00 -0.26 0.00 0.00 57.72 56.78 1wyg n HIS 884 Cb 0.15 -0.18 0.40 0.00 1.12 0.00 0.00 29.99 31.48 1wyg n HIS 884 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wyg h MET 885 N 1.07 0.00 -0.01 -0.41 -0.00 -1.37 -2.83 114.93 111.38 1wyg h MET 885 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.54 1wyg h MET 885 Cb 1.65 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.25 1wyg h MET 885 CO 0.09 0.00 -0.27 -0.40 -0.00 0.00 0.00 176.91 176.33 1wyg n ASP 886 N -2.33 1.07 0.00 -0.10 3.85 -1.26 -4.42 116.55 113.35 1wyg n ASP 886 Ca 0.05 -0.92 0.00 0.00 -0.71 0.00 0.00 54.79 53.21 1wyg n ASP 886 Cb 0.42 0.15 0.00 0.00 -1.35 0.00 0.00 41.12 40.35 1wyg n ASP 886 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1wyg n ASN 887 N -0.62 0.00 -1.44 -1.12 2.85 -1.07 0.33 115.26 114.18 1wyg n ASN 887 Ca 0.12 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.67 1wyg n ASN 887 Cb 0.35 0.00 0.34 0.00 1.24 0.00 0.00 39.78 41.71 1wyg n ASN 887 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wyg n ALA 888 N 7.31 3.36 -2.82 5.20 0.00 -1.26 -4.60 120.51 127.71 1wyg n ALA 888 Ca 0.00 -1.96 -0.30 0.00 0.00 0.00 0.00 53.44 51.18 1wyg n ALA 888 Cb 0.00 -0.93 -0.16 0.00 0.00 0.00 0.00 19.45 18.35 1wyg n ALA 888 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1wyg s TYR 889 N -2.54 2.22 -0.04 0.00 1.51 0.15 -0.81 117.35 117.84 1wyg s TYR 889 Ca 0.48 -0.67 -0.30 0.00 -1.01 0.00 0.00 57.07 55.57 1wyg s TYR 889 Cb 0.36 -1.47 -0.05 0.00 -0.11 0.00 0.00 41.96 40.70 1wyg s TYR 889 CO 0.15 -0.21 1.39 0.21 -1.11 0.00 0.00 175.55 175.98 1wyg s LYS 890 N -0.07 4.27 -0.41 -0.62 2.47 -0.28 -4.84 119.74 120.25 1wyg s LYS 890 Ca -0.04 1.92 0.02 0.00 -1.56 0.00 0.00 55.97 56.30 1wyg s LYS 890 Cb -0.13 -3.66 0.14 0.00 -1.46 0.00 0.00 37.83 32.71 1wyg s LYS 890 CO 0.03 -0.62 0.25 0.42 0.16 0.00 0.00 175.35 175.59 1wyg s ILE 891 N 2.80 0.92 0.37 5.43 1.01 -1.26 -4.90 121.20 125.56 1wyg s ILE 891 Ca 0.63 -2.32 0.23 0.00 0.00 0.00 0.00 60.65 59.19 1wyg s ILE 891 Cb -0.29 -1.65 0.37 0.00 0.01 0.00 0.00 42.46 40.90 1wyg s ILE 891 CO 0.24 -0.96 1.48 -0.81 0.00 0.00 0.00 174.94 174.89 1wyg n PRO 892 N 3.61 -0.05 -3.87 2.79 -0.04 -1.26 -3.62 135.00 132.56 1wyg n PRO 892 Ca 0.12 1.26 -0.30 0.00 -0.04 0.00 0.00 63.50 64.54 1wyg n PRO 892 Cb 0.37 -2.33 -0.15 0.00 -0.04 0.00 0.00 33.50 31.35 1wyg n PRO 892 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1wyg s ASN 893 N -4.47 4.33 0.08 3.54 -0.87 -1.25 -3.69 114.94 112.60 1wyg s ASN 893 Ca -0.08 -1.82 0.02 0.00 -1.57 0.00 0.00 52.86 49.41 1wyg s ASN 893 Cb 0.31 -1.22 -0.03 0.00 -0.02 0.00 0.00 41.25 40.29 1wyg s ASN 893 CO 0.74 -0.39 -0.08 -0.51 -2.57 0.00 0.00 177.10 174.30 1wyg s ILE 894 N 1.29 0.70 -0.30 0.60 2.07 -0.67 -0.91 121.20 123.98 1wyg s ILE 894 Ca 0.09 -1.55 -0.04 0.00 -1.41 0.00 0.00 60.65 57.74 1wyg s ILE 894 Cb -0.18 -1.21 0.17 0.00 0.13 0.00 0.00 42.46 41.37 1wyg s ILE 894 CO -0.16 -0.62 0.64 -0.60 -1.91 0.00 0.00 174.94 172.29 1wyg s ARG 895 N -2.76 0.55 0.15 3.50 3.52 -0.98 -1.68 118.95 121.26 1wyg s ARG 895 Ca 0.02 1.08 0.11 0.00 -0.13 0.00 0.00 55.73 56.81 1wyg s ARG 895 Cb -0.02 0.61 -0.04 0.00 -1.56 0.00 0.00 34.95 33.94 1wyg s ARG 895 CO -0.02 -0.49 -0.25 0.20 -0.81 0.00 0.00 175.30 173.93 1wyg s GLY 896 N 2.86 1.58 0.05 8.12 0.00 -0.40 -2.05 107.32 117.48 1wyg s GLY 896 Ca 0.13 -1.50 -0.00 0.00 0.00 0.00 0.00 44.72 43.35 1wyg s GLY 896 CO -0.20 -1.50 -0.04 -0.51 0.00 0.00 0.00 173.10 170.85 1wyg s THR 897 N -1.32 0.28 0.03 0.90 -4.23 -0.21 -1.99 115.64 109.11 1wyg s THR 897 Ca 0.15 -1.56 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1wyg s THR 897 Cb -0.09 -1.17 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 1wyg s THR 897 CO 0.07 -0.82 -0.07 -0.83 -0.54 0.00 0.00 174.62 172.44 1wyg s GLY 898 N -2.49 0.42 -0.03 3.99 0.00 0.25 -0.36 107.32 109.11 1wyg s GLY 898 Ca 0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 44.72 44.09 1wyg s GLY 898 CO -0.06 -0.66 0.06 -1.60 0.00 0.00 0.00 173.10 170.84 1wyg s ARG 899 N -1.24 0.04 -0.22 2.90 6.06 -0.95 -1.73 118.95 123.80 1wyg s ARG 899 Ca -0.08 0.17 -0.07 0.00 -2.50 0.00 0.00 55.73 53.25 1wyg s ARG 899 Cb -0.08 -0.10 -0.03 0.00 0.06 0.00 0.00 34.95 34.80 1wyg s ARG 899 CO 0.00 -0.09 0.05 0.42 -2.50 0.00 0.00 175.30 173.19 1wyg s ILE 900 N 0.59 4.39 -0.02 4.11 1.09 -1.26 -1.77 121.20 128.33 1wyg s ILE 900 Ca -0.05 -0.16 -0.26 0.00 -1.10 0.00 0.00 60.65 59.08 1wyg s ILE 900 Cb -0.07 -3.02 -0.04 0.00 -1.06 0.00 0.00 42.46 38.28 1wyg s ILE 900 CO -0.02 0.39 0.82 0.00 -0.10 0.00 0.00 174.94 176.02 1wyg s LYS 902 N 0.68 3.07 0.25 0.00 2.20 -0.14 -0.63 119.74 125.16 1wyg s LYS 902 Ca 0.43 -1.17 0.10 0.00 -0.36 0.00 0.00 55.97 54.98 1wyg s LYS 902 Cb -0.20 -4.26 -0.05 0.00 -1.51 0.00 0.00 37.83 31.82 1wyg s LYS 902 CO 0.23 -1.64 -0.18 0.95 -0.36 0.00 0.00 175.35 174.35 1wyg s THR 903 N 3.14 2.20 -1.56 3.43 -4.23 -1.15 -4.71 115.64 112.76 1wyg s THR 903 Ca 0.15 -2.31 -0.09 0.00 -1.18 0.00 0.00 61.69 58.26 1wyg s THR 903 Cb -0.22 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 1wyg s THR 903 CO 0.07 -0.45 2.81 0.59 -0.54 0.00 0.00 174.62 177.10 1wyg n ASN 904 N -0.47 8.42 -4.21 3.99 4.13 -0.41 -2.33 115.26 124.37 1wyg n ASN 904 Ca -0.07 -2.70 -0.12 0.00 1.68 0.00 0.00 54.58 53.37 1wyg n ASN 904 Cb 0.60 -1.52 -0.10 0.00 -1.54 0.00 0.00 39.78 37.21 1wyg n ASN 904 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1wyg s LEU 905 N -0.22 2.25 0.00 3.41 1.43 -1.26 -4.47 118.68 119.83 1wyg s LEU 905 Ca 0.66 -1.11 -0.34 0.00 -1.03 0.00 0.00 54.13 52.30 1wyg s LEU 905 Cb 0.18 -0.05 -0.13 0.00 0.03 0.00 0.00 46.19 46.22 1wyg s LEU 905 CO -0.07 -0.53 1.75 -2.65 0.23 0.00 0.00 176.35 175.08 1wyg n PRO 906 N -0.16 2.10 -1.62 1.29 -0.02 -1.26 0.88 135.00 136.21 1wyg n PRO 906 Ca -0.09 0.76 -0.46 0.00 -2.02 0.00 0.00 63.50 61.69 1wyg n PRO 906 Cb 0.62 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 1wyg n PRO 906 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1wyg n SER 907 N 5.28 1.96 -4.95 2.55 2.88 -1.26 -4.42 113.62 115.66 1wyg n SER 907 Ca 0.21 1.15 -0.24 0.00 -1.33 0.00 0.00 58.87 58.65 1wyg n SER 907 Cb 0.28 -1.32 -0.03 0.00 -0.75 0.00 0.00 64.21 62.40 1wyg n SER 907 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1wyg s ASN 908 N 0.03 6.34 0.00 -3.46 0.01 -0.20 -3.95 114.94 113.71 1wyg s ASN 908 Ca 0.69 0.18 0.00 0.00 -0.71 0.00 0.00 52.86 53.01 1wyg s ASN 908 Cb -0.74 -1.91 0.00 0.00 0.41 0.00 0.00 41.25 39.01 1wyg s ASN 908 CO 0.52 -0.03 0.00 0.35 -1.51 0.00 0.00 177.10 176.44 1wyg n THR 909 N -0.97 0.00 -2.50 1.60 -2.24 -0.21 -4.57 114.28 105.39 1wyg n THR 909 Ca -0.07 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 1wyg n THR 909 Cb 0.55 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.75 1wyg n THR 909 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wyg s ALA 910 N -2.00 2.86 -0.29 6.98 0.00 -1.26 -4.45 121.76 123.61 1wyg s ALA 910 Ca 0.00 0.61 -0.14 0.00 0.00 0.00 0.00 51.96 52.43 1wyg s ALA 910 Cb 0.00 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 19.96 1wyg s ALA 910 CO 0.00 -0.36 0.67 0.12 0.00 0.00 0.00 175.76 176.19 1wyg s PHE 911 N -2.00 -1.17 -0.03 0.00 5.99 -1.25 -3.65 117.98 115.86 1wyg s PHE 911 Ca 0.67 2.21 -0.03 0.00 0.00 0.00 0.00 56.93 59.78 1wyg s PHE 911 Cb -0.17 0.70 -0.01 0.00 0.00 0.00 0.00 43.02 43.54 1wyg s PHE 911 CO 0.21 -0.58 0.13 -2.13 -0.00 0.00 0.00 175.22 172.85 1wyg n ARG 912 N 4.76 0.00 0.00 10.12 0.63 -0.84 0.47 116.66 131.81 1wyg n ARG 912 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1wyg n ARG 912 Cb 0.55 -0.09 0.00 0.00 0.45 0.00 0.00 32.46 33.37 1wyg n ARG 912 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wyg n GLY 913 N 0.45 3.37 3.63 5.14 0.00 -1.26 -4.90 105.19 111.62 1wyg n GLY 913 Ca 0.03 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 1wyg n GLY 913 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wyg n PHE 914 N 0.00 -2.11 0.00 1.61 7.35 0.18 -1.33 117.46 123.15 1wyg n PHE 914 Ca 0.00 0.66 0.00 0.00 -0.76 0.00 0.00 57.45 57.35 1wyg n PHE 914 Cb 0.00 -3.31 0.00 0.00 0.35 0.00 0.00 39.48 36.52 1wyg n PHE 914 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1wyg n GLY 915 N -1.73 2.41 0.27 7.13 0.00 -1.26 -4.49 105.19 107.52 1wyg n GLY 915 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 1wyg n GLY 915 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wyg h GLY 916 N 0.00 1.04 0.82 -0.02 0.00 -1.45 -2.27 103.07 101.20 1wyg h GLY 916 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1wyg h GLY 916 CO 0.00 0.19 0.03 -2.55 0.00 0.00 0.00 176.54 174.21 1wyg h PRO 917 N 0.76 0.24 -0.46 4.80 0.11 -1.89 -1.49 132.00 134.07 1wyg h PRO 917 Ca 0.31 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 66.44 1wyg h PRO 917 Cb 0.16 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.17 1wyg h PRO 917 CO -0.17 0.40 0.06 1.96 -0.21 0.00 0.00 178.00 180.04 1wyg h GLN 918 N 0.03 0.18 0.00 1.05 7.50 -1.93 0.54 115.11 122.48 1wyg h GLN 918 Ca 0.05 -0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.13 1wyg h GLN 918 Cb 0.28 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.76 1wyg h GLN 918 CO 0.00 0.12 -0.27 0.78 -1.50 0.00 0.00 178.83 177.95 1wyg h GLY 919 N 0.18 0.00 1.34 3.46 0.00 -1.31 -2.76 103.07 103.99 1wyg h GLY 919 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.28 1wyg h GLY 919 CO -0.33 0.00 -1.46 -0.33 0.00 0.00 0.00 176.54 174.43 1wyg h MET 920 N 0.00 0.09 -0.75 4.80 2.86 0.00 -3.02 114.93 118.91 1wyg h MET 920 Ca -0.00 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 1wyg h MET 920 Cb 0.49 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1wyg h MET 920 CO 0.04 0.86 0.29 1.25 1.06 0.00 0.00 176.91 180.41 1wyg h LEU 921 N 0.02 1.04 -0.24 1.22 5.85 0.13 0.39 115.31 123.72 1wyg h LEU 921 Ca -0.20 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1wyg h LEU 921 Cb 1.94 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 1wyg h LEU 921 CO 0.12 0.93 0.08 0.40 -0.34 0.00 0.00 178.44 179.62 1wyg h ILE 922 N 1.10 1.19 0.05 4.05 2.04 -1.59 -0.94 117.51 123.40 1wyg h ILE 922 Ca 0.25 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1wyg h ILE 922 Cb 0.22 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1wyg h ILE 922 CO -0.02 0.20 -0.21 0.00 0.00 0.00 0.00 178.15 178.12 1wyg h ALA 923 N 0.90 -0.30 0.00 1.87 0.00 -1.26 -1.06 119.26 119.41 1wyg h ALA 923 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wyg h ALA 923 Cb 0.23 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1wyg h ALA 923 CO -0.00 -0.72 0.00 0.39 0.00 0.00 0.00 179.25 178.92 1wyg n GLU 924 N -5.33 0.04 0.00 0.00 -0.58 0.07 -1.88 120.64 112.96 1wyg n GLU 924 Ca -0.06 0.35 -0.01 0.00 -0.42 0.00 0.00 57.16 57.02 1wyg n GLU 924 Cb 0.25 -1.59 -0.01 0.00 -0.57 0.00 0.00 31.44 29.52 1wyg n GLU 924 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1wyg h TYR 925 N 0.00 -0.08 -0.07 -0.32 3.20 0.17 -2.40 116.97 117.47 1wyg h TYR 925 Ca 0.00 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1wyg h TYR 925 Cb 0.22 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 1wyg h TYR 925 CO 0.00 -0.05 0.05 0.11 -1.64 0.00 0.00 178.16 176.63 1wyg h TRP 926 N -0.78 0.00 -0.55 -3.82 5.08 -1.50 0.02 115.95 114.39 1wyg h TRP 926 Ca -0.01 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.94 1wyg h TRP 926 Cb 0.07 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.20 1wyg h TRP 926 CO 0.00 0.00 0.28 1.98 -1.28 0.00 0.00 178.44 179.43 1wyg h MET 927 N 0.00 0.79 -0.69 0.12 4.05 -1.44 0.05 114.93 117.80 1wyg h MET 927 Ca 0.03 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 1wyg h MET 927 Cb 0.14 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 1wyg h MET 927 CO -0.00 0.63 0.34 0.66 0.23 0.00 0.00 176.91 178.77 1wyg h SER 928 N 0.75 0.90 0.69 1.39 4.64 -0.47 -1.06 113.55 120.38 1wyg h SER 928 Ca 0.19 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1wyg h SER 928 Cb 0.09 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1wyg h SER 928 CO -0.03 0.77 0.00 -0.33 -0.87 0.00 0.00 176.83 176.37 1wyg h GLU 929 N 0.96 0.00 0.03 4.77 5.08 -0.82 -1.38 114.58 123.22 1wyg h GLU 929 Ca 0.24 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1wyg h GLU 929 Cb 0.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1wyg h GLU 929 CO -0.03 0.00 -0.42 0.28 -1.00 0.00 0.00 179.01 177.84 1wyg h VAL 930 N 0.00 1.55 -0.43 3.13 2.07 0.28 -2.45 116.25 120.40 1wyg h VAL 930 Ca 0.00 -2.16 0.04 0.00 0.82 0.00 0.00 66.70 65.39 1wyg h VAL 930 Cb 0.35 2.92 -0.04 0.00 -1.52 0.00 0.00 31.29 33.00 1wyg h VAL 930 CO 0.00 0.60 0.21 0.00 0.02 0.00 0.00 177.57 178.40 1wyg h ALA 931 N 0.19 0.54 0.88 1.67 0.00 -0.71 -0.70 119.26 121.15 1wyg h ALA 931 Ca -0.06 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1wyg h ALA 931 Cb 1.21 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1wyg h ALA 931 CO 0.08 -0.14 -0.42 0.82 0.00 0.00 0.00 179.25 179.58 1wyg h ILE 932 N 0.43 0.09 -1.00 0.00 2.04 -1.35 -0.17 117.51 117.55 1wyg h ILE 932 Ca 0.19 -0.06 0.21 0.00 1.00 0.00 0.00 64.86 66.20 1wyg h ILE 932 Cb 0.10 0.10 -0.10 0.00 -0.74 0.00 0.00 36.82 36.17 1wyg h ILE 932 CO -0.14 0.00 0.62 0.74 0.00 0.00 0.00 178.15 179.37 1wyg h THR 933 N -1.24 0.66 0.00 -0.27 2.02 -1.33 0.31 112.91 113.06 1wyg h THR 933 Ca -0.12 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1wyg h THR 933 Cb 0.91 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1wyg h THR 933 CO 0.20 0.12 -0.01 0.00 0.37 0.00 0.00 175.52 176.19 1wyg n GLY 935 N 1.43 0.56 3.91 0.00 0.00 0.11 -4.98 105.19 106.21 1wyg n GLY 935 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1wyg n GLY 935 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wyg s LEU 936 N 0.00 3.22 0.08 0.99 1.43 -1.04 -5.00 118.68 118.35 1wyg s LEU 936 Ca 0.00 0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 53.61 1wyg s LEU 936 Cb 0.00 -3.66 -0.06 0.00 0.03 0.00 0.00 46.19 42.50 1wyg s LEU 936 CO 0.00 -1.05 1.16 -2.84 0.23 0.00 0.00 176.35 173.85 1wyg s PRO 937 N -5.03 4.47 0.25 1.29 0.02 -1.26 -4.54 135.00 130.20 1wyg s PRO 937 Ca 0.54 1.73 -0.08 0.00 0.02 0.00 0.00 61.00 63.21 1wyg s PRO 937 Cb -0.11 -3.34 0.42 0.00 0.02 0.00 0.00 34.50 31.49 1wyg s PRO 937 CO 0.46 -0.18 1.61 0.00 -0.33 0.00 0.00 177.00 178.56 1wyg h ALA 938 N 6.49 0.70 -0.80 -1.55 0.00 -1.96 0.37 119.26 122.52 1wyg h ALA 938 Ca -0.42 0.29 0.14 0.00 0.00 0.00 0.00 54.91 54.92 1wyg h ALA 938 Cb 1.21 0.53 -0.09 0.00 0.00 0.00 0.00 17.79 19.44 1wyg h ALA 938 CO 0.79 -0.43 0.37 1.05 0.00 0.00 0.00 179.25 181.03 1wyg h GLU 939 N 0.04 0.52 -0.26 0.00 -0.00 -1.92 0.33 114.58 113.29 1wyg h GLU 939 Ca 0.42 -0.03 -0.17 0.00 -0.00 0.00 0.00 59.36 59.58 1wyg h GLU 939 Cb 0.71 -0.12 -0.00 0.00 -0.00 0.00 0.00 28.75 29.34 1wyg h GLU 939 CO -0.77 0.35 -0.52 0.93 -0.00 0.00 0.00 179.01 178.99 1wyg h GLU 940 N 0.54 0.76 -0.33 1.06 5.08 -1.34 -0.38 114.58 119.97 1wyg h GLU 940 Ca 0.43 -0.46 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1wyg h GLU 940 Cb 0.63 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1wyg h GLU 940 CO -0.37 1.09 -0.09 0.28 -1.00 0.00 0.00 179.01 178.91 1wyg h VAL 941 N 0.59 1.23 0.27 3.13 2.07 -0.52 -1.96 116.25 121.07 1wyg h VAL 941 Ca 0.02 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1wyg h VAL 941 Cb 1.10 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1wyg h VAL 941 CO 0.11 0.33 -0.13 0.03 0.02 0.00 0.00 177.57 177.93 1wyg h ARG 942 N 0.51 -0.36 -1.03 1.57 3.08 -0.84 -3.02 114.38 114.29 1wyg h ARG 942 Ca 0.10 0.02 0.28 0.00 0.07 0.00 0.00 59.98 60.45 1wyg h ARG 942 Cb 0.48 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.55 1wyg h ARG 942 CO 0.03 -0.13 0.71 -0.09 -1.07 0.00 0.00 179.97 179.42 1wyg h ARG 943 N -1.05 0.16 0.19 0.04 2.43 -1.06 -1.15 114.38 113.94 1wyg h ARG 943 Ca -0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1wyg h ARG 943 Cb 0.39 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1wyg h ARG 943 CO 0.06 0.11 -0.09 0.87 -1.51 0.00 0.00 179.97 179.41 1wyg h LYS 944 N 0.17 -0.25 0.00 0.20 1.57 -1.38 -3.22 116.57 113.66 1wyg h LYS 944 Ca 0.53 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 1wyg h LYS 944 Cb 1.77 0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1wyg h LYS 944 CO -0.12 0.06 0.00 0.09 -0.57 0.00 0.00 179.45 178.91 1wyg n ASN 945 N -5.07 0.00 -4.74 0.86 3.02 -0.70 -4.92 115.26 103.71 1wyg n ASN 945 Ca -0.09 0.09 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 1wyg n ASN 945 Cb 0.22 -0.36 0.05 0.00 -0.61 0.00 0.00 39.78 39.08 1wyg n ASN 945 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1wyg s MET 946 N -2.72 2.93 1.16 3.52 1.75 -0.52 -1.13 119.30 124.29 1wyg s MET 946 Ca 0.23 2.16 -0.13 0.00 -1.25 0.00 0.00 55.69 56.70 1wyg s MET 946 Cb 0.19 -2.10 0.28 0.00 2.84 0.00 0.00 34.83 36.04 1wyg s MET 946 CO 0.47 -1.33 1.03 0.71 -0.65 0.00 0.00 175.02 175.25 1wyg s TYR 947 N -1.35 1.37 0.10 4.11 1.51 0.01 -4.51 117.35 118.59 1wyg s TYR 947 Ca 0.76 1.20 0.07 0.00 -1.01 0.00 0.00 57.07 58.09 1wyg s TYR 947 Cb -0.39 -3.11 -0.03 0.00 -0.11 0.00 0.00 41.96 38.31 1wyg s TYR 947 CO 0.44 -3.83 -0.19 0.15 -1.11 0.00 0.00 175.55 171.01 1wyg s LYS 948 N -4.48 1.05 -0.41 -0.62 1.02 -1.26 -4.98 119.74 110.06 1wyg s LYS 948 Ca 0.68 -1.12 -0.33 0.00 0.02 0.00 0.00 55.97 55.22 1wyg s LYS 948 Cb -0.25 -1.24 -0.11 0.00 -0.52 0.00 0.00 37.83 35.71 1wyg s LYS 948 CO 0.64 0.28 2.27 -1.91 -0.92 0.00 0.00 175.35 175.71 1wyg n GLU 949 N 1.10 1.05 0.00 1.68 4.07 -1.26 -1.07 120.64 126.20 1wyg n GLU 949 Ca -0.20 0.24 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 1wyg n GLU 949 Cb 0.54 -2.57 0.00 0.00 -0.06 0.00 0.00 31.44 29.35 1wyg n GLU 949 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wyg n GLY 950 N 6.42 0.87 3.86 8.31 0.00 -0.80 -5.04 105.19 118.80 1wyg n GLY 950 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 1wyg n GLY 950 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wyg s ASP 951 N -1.35 6.55 0.27 1.61 1.01 -0.23 -4.53 116.67 120.00 1wyg s ASP 951 Ca 0.00 1.42 -0.05 0.00 0.71 0.00 0.00 52.55 54.63 1wyg s ASP 951 Cb 0.00 -2.45 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 1wyg s ASP 951 CO 0.00 -0.57 0.53 -0.76 0.21 0.00 0.00 175.17 174.59 1wyg s LEU 952 N -4.14 4.09 0.00 1.23 1.43 -1.26 -0.71 118.68 119.32 1wyg s LEU 952 Ca 0.56 0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1wyg s LEU 952 Cb -0.10 -3.50 0.11 0.00 0.03 0.00 0.00 46.19 42.73 1wyg s LEU 952 CO 0.34 -0.16 0.78 0.35 0.23 0.00 0.00 176.35 177.89 1wyg n THR 953 N -0.81 0.00 0.31 5.49 -2.24 -1.01 -4.87 114.28 111.15 1wyg n THR 953 Ca -0.02 -1.23 0.14 0.00 -2.27 0.00 0.00 64.05 60.68 1wyg n THR 953 Cb 0.54 -1.00 0.65 0.00 -2.10 0.00 0.00 70.33 68.42 1wyg n THR 953 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1wyg h HIS 954 N -0.55 0.00 -0.46 4.78 2.07 -1.93 -0.72 115.15 118.33 1wyg h HIS 954 Ca -0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 1wyg h HIS 954 Cb 0.95 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.93 1wyg h HIS 954 CO 0.00 0.00 0.00 1.97 -3.07 0.00 0.00 177.93 176.83 1wyg n PHE 955 N -2.55 1.63 -2.00 6.12 1.16 -1.26 -4.57 117.46 115.99 1wyg n PHE 955 Ca 0.00 -0.78 -0.17 0.00 -1.87 0.00 0.00 57.45 54.63 1wyg n PHE 955 Cb 0.19 -0.43 -0.03 0.00 -1.61 0.00 0.00 39.48 37.59 1wyg n PHE 955 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1wyg n ASN 956 N 0.20 -5.07 -4.64 5.98 3.02 -0.28 -4.45 115.26 110.02 1wyg n ASN 956 Ca 0.25 0.16 -0.39 0.00 -0.03 0.00 0.00 54.58 54.58 1wyg n ASN 956 Cb 1.08 -4.14 -0.08 0.00 -0.61 0.00 0.00 39.78 36.03 1wyg n ASN 956 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1wyg s GLN 957 N -4.31 4.10 0.32 3.52 0.74 -1.26 -4.71 119.66 118.06 1wyg s GLN 957 Ca 0.00 0.12 -0.29 0.00 0.05 0.00 0.00 55.36 55.24 1wyg s GLN 957 Cb 0.00 -3.59 -0.11 0.00 1.10 0.00 0.00 33.01 30.41 1wyg s GLN 957 CO 0.00 -0.16 1.48 0.21 -0.55 0.00 0.00 175.29 176.28 1wyg s LYS 958 N 1.69 4.18 -1.02 1.67 2.20 -1.26 -2.40 119.74 124.80 1wyg s LYS 958 Ca 0.17 2.46 -0.11 0.00 -0.36 0.00 0.00 55.97 58.14 1wyg s LYS 958 Cb -0.15 -3.03 0.26 0.00 -1.51 0.00 0.00 37.83 33.40 1wyg s LYS 958 CO 0.09 -0.49 1.00 -0.51 -0.36 0.00 0.00 175.35 175.08 1wyg s LEU 959 N -1.23 6.48 0.53 5.43 1.43 0.12 -4.97 118.68 126.47 1wyg s LEU 959 Ca 0.57 -3.30 -0.05 0.00 -1.03 0.00 0.00 54.13 50.31 1wyg s LEU 959 Cb -0.45 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 1wyg s LEU 959 CO 0.53 -0.38 0.84 -1.61 0.23 0.00 0.00 176.35 175.96 1wyg s GLU 960 N -0.78 3.24 -1.60 1.70 2.02 -1.26 -1.90 118.70 120.12 1wyg s GLU 960 Ca 0.27 0.09 -0.15 0.00 0.02 0.00 0.00 54.97 55.20 1wyg s GLU 960 Cb -0.10 -2.33 0.11 0.00 0.10 0.00 0.00 34.13 31.92 1wyg s GLU 960 CO -0.08 -0.44 0.88 0.41 0.02 0.00 0.00 175.26 176.05 1wyg n GLY 961 N -2.42 -0.46 3.73 -1.39 0.00 -1.26 -4.86 105.19 98.54 1wyg n GLY 961 Ca 0.03 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1wyg n GLY 961 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wyg s PHE 962 N -3.32 3.03 0.00 1.61 5.36 -1.26 -4.90 117.98 118.50 1wyg s PHE 962 Ca 0.67 0.86 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 1wyg s PHE 962 Cb -0.35 -3.87 0.00 0.00 -0.34 0.00 0.00 43.02 38.47 1wyg s PHE 962 CO 0.87 -2.98 0.14 -2.37 -1.46 0.00 0.00 175.22 169.42 1wyg n THR 963 N 2.98 0.00 -0.29 0.12 5.66 -1.26 -4.84 114.28 116.65 1wyg n THR 963 Ca 0.10 -0.14 0.03 0.00 -3.05 0.00 0.00 64.05 60.98 1wyg n THR 963 Cb 0.39 1.72 0.16 0.00 -1.55 0.00 0.00 70.33 71.06 1wyg n THR 963 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1wyg h LEU 964 N 0.00 0.69 -0.86 1.09 5.85 -1.94 -2.76 115.31 117.37 1wyg h LEU 964 Ca 0.00 0.04 0.17 0.00 0.84 0.00 0.00 57.88 58.94 1wyg h LEU 964 Cb 0.36 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.20 1wyg h LEU 964 CO 0.00 0.40 0.42 -0.65 -0.34 0.00 0.00 178.44 178.27 1wyg h PRO 965 N 0.81 0.52 -0.17 5.25 0.11 -1.95 0.11 132.00 136.68 1wyg h PRO 965 Ca 0.39 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.30 1wyg h PRO 965 Cb 0.34 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1wyg h PRO 965 CO -0.24 0.34 -0.59 0.00 -0.21 0.00 0.00 178.00 177.31 1wyg h ARG 966 N 0.54 0.55 -0.74 1.05 3.08 -1.87 0.25 114.38 117.24 1wyg h ARG 966 Ca 0.50 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1wyg h ARG 966 Cb 0.80 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 1wyg h ARG 966 CO -0.42 0.97 0.33 0.00 -1.07 0.00 0.00 179.97 179.78 1wyg h TRP 968 N 1.05 -0.62 0.00 0.00 2.91 -0.48 -0.96 115.95 117.85 1wyg h TRP 968 Ca 0.25 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.24 1wyg h TRP 968 Cb 0.14 0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 28.99 1wyg h TRP 968 CO 0.01 -0.30 -0.10 -0.44 -1.03 0.00 0.00 178.44 176.58 1wyg h ASP 969 N -1.04 0.00 0.59 2.65 3.32 -0.38 -1.36 116.42 120.21 1wyg h ASP 969 Ca -0.07 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.70 1wyg h ASP 969 Cb 0.60 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1wyg h ASP 969 CO 0.11 0.10 -1.46 -0.33 -1.72 0.00 0.00 179.24 175.94 1wyg h GLU 970 N 0.00 0.11 -0.12 3.56 5.08 -0.66 -2.97 114.58 119.57 1wyg h GLU 970 Ca -0.00 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1wyg h GLU 970 Cb 0.27 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1wyg h GLU 970 CO 0.01 0.91 -0.05 0.00 -1.00 0.00 0.00 179.01 178.88 1wyg h ILE 972 N -0.09 1.00 0.51 0.00 3.07 -1.39 0.91 117.51 121.52 1wyg h ILE 972 Ca 0.03 -0.12 -0.02 0.00 1.55 0.00 0.00 64.86 66.30 1wyg h ILE 972 Cb 0.49 0.63 0.00 0.00 -0.27 0.00 0.00 36.82 37.67 1wyg h ILE 972 CO 0.02 0.06 -0.24 0.00 -1.05 0.00 0.00 178.15 176.93 1wyg h ALA 973 N 1.16 -0.68 -0.19 0.16 0.00 -1.45 -0.54 119.26 117.72 1wyg h ALA 973 Ca 0.13 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1wyg h ALA 973 Cb 0.03 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1wyg h ALA 973 CO -0.08 -0.85 -0.40 0.66 0.00 0.00 0.00 179.25 178.58 1wyg h SER 974 N -0.75 0.44 0.37 0.00 4.64 -0.58 -2.59 113.55 115.10 1wyg h SER 974 Ca -0.07 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1wyg h SER 974 Cb 0.55 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1wyg h SER 974 CO 0.11 0.80 -0.08 -1.54 -0.87 0.00 0.00 176.83 175.25 1wyg n SER 975 N -4.03 0.37 -3.88 4.97 3.41 0.31 -4.92 113.62 109.84 1wyg n SER 975 Ca -0.01 -0.53 -0.30 0.00 -0.26 0.00 0.00 58.87 57.76 1wyg n SER 975 Cb 0.49 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.34 1wyg n SER 975 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wyg n GLN 976 N -1.00 -2.07 0.00 4.33 6.02 -0.29 -4.85 117.38 119.52 1wyg n GLN 976 Ca 0.15 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 1wyg n GLN 976 Cb 0.26 -4.10 0.00 0.00 1.02 0.00 0.00 30.24 27.42 1wyg n GLN 976 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1wyg n TYR 977 N -4.41 0.00 -0.32 1.08 9.36 -0.73 -1.79 117.16 120.35 1wyg n TYR 977 Ca -0.21 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 60.93 1wyg n TYR 977 Cb 0.64 -0.35 -0.08 0.00 -0.63 0.00 0.00 39.34 38.92 1wyg n TYR 977 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1wyg n LEU 978 N -2.00 -0.81 -0.27 2.98 4.77 -1.26 0.63 117.00 121.04 1wyg n LEU 978 Ca 0.00 1.56 0.06 0.00 -0.03 0.00 0.00 56.01 57.60 1wyg n LEU 978 Cb 0.00 -0.27 0.20 0.00 -2.33 0.00 0.00 43.42 41.02 1wyg n LEU 978 CO 0.00 -1.21 1.03 0.00 -1.33 0.00 0.00 177.39 175.88 1wyg h ALA 979 N 0.19 1.12 0.00 -1.18 0.00 -1.95 0.12 119.26 117.55 1wyg h ALA 979 Ca 0.12 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1wyg h ALA 979 Cb 0.31 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wyg h ALA 979 CO -0.72 -0.21 -0.36 0.00 0.00 0.00 0.00 179.25 177.97 1wyg h ARG 980 N 0.46 0.00 -0.82 0.00 3.08 0.24 -2.59 114.38 114.75 1wyg h ARG 980 Ca 0.43 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.51 1wyg h ARG 980 Cb 0.67 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 1wyg h ARG 980 CO -0.41 0.36 0.53 0.87 -1.07 0.00 0.00 179.97 180.24 1wyg h LYS 981 N 0.00 1.00 0.59 0.04 1.79 0.29 -1.09 116.57 119.20 1wyg h LYS 981 Ca -0.00 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1wyg h LYS 981 Cb 0.93 -0.23 0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1wyg h LYS 981 CO 0.05 0.66 -0.28 0.00 -1.08 0.00 0.00 179.45 178.80 1wyg h ARG 982 N 1.03 -0.76 -0.66 3.15 2.47 -1.14 -2.67 114.38 115.80 1wyg h ARG 982 Ca 0.32 0.05 0.19 0.00 -1.26 0.00 0.00 59.98 59.29 1wyg h ARG 982 Cb -0.01 0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.45 1wyg h ARG 982 CO -0.11 -0.45 0.72 1.49 0.56 0.00 0.00 179.97 182.19 1wyg h GLU 983 N -1.07 0.00 -0.01 0.04 4.22 -1.22 0.40 114.58 116.94 1wyg h GLU 983 Ca -0.08 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.19 1wyg h GLU 983 Cb 0.66 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.92 1wyg h GLU 983 CO 0.13 0.00 -0.64 0.28 -2.18 0.00 0.00 179.01 176.60 1wyg h VAL 984 N 0.00 1.41 -0.26 0.32 2.07 -0.94 -2.31 116.25 116.53 1wyg h VAL 984 Ca 0.32 -2.08 -0.00 0.00 0.82 0.00 0.00 66.70 65.76 1wyg h VAL 984 Cb 1.76 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 34.05 1wyg h VAL 984 CO -0.00 0.61 0.16 -0.33 0.02 0.00 0.00 177.57 178.02 1wyg h GLU 985 N -0.03 0.35 -0.38 1.57 5.08 0.06 -1.16 114.58 120.06 1wyg h GLU 985 Ca -0.08 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1wyg h GLU 985 Cb 1.34 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 1wyg h GLU 985 CO 0.13 0.27 0.01 -0.22 -1.00 0.00 0.00 179.01 178.20 1wyg h LYS 986 N 0.33 0.11 -0.85 2.33 3.64 -1.20 -0.34 116.57 120.59 1wyg h LYS 986 Ca 0.09 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1wyg h LYS 986 Cb 0.01 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1wyg h LYS 986 CO -0.02 0.07 0.56 0.35 -2.27 0.00 0.00 179.45 178.15 1wyg h PHE 987 N 0.11 1.02 -0.08 1.91 3.57 -0.99 -1.99 116.94 120.49 1wyg h PHE 987 Ca 0.19 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 1wyg h PHE 987 Cb 0.26 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1wyg h PHE 987 CO -0.25 0.59 -0.49 -0.91 -2.23 0.00 0.00 178.31 175.01 1wyg h ASN 988 N 1.05 0.21 0.07 0.41 2.35 0.08 -2.00 115.58 117.76 1wyg h ASN 988 Ca 0.34 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.86 1wyg h ASN 988 Cb 0.04 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1wyg h ASN 988 CO -0.10 0.68 -0.42 0.03 -1.65 0.00 0.00 177.43 175.96 1wyg h ARG 989 N 0.16 0.44 -0.01 0.81 3.08 -0.42 -2.89 114.38 115.55 1wyg h ARG 989 Ca 0.01 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1wyg h ARG 989 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1wyg h ARG 989 CO 0.07 0.79 -0.01 0.39 -1.07 0.00 0.00 179.97 180.14 1wyg n GLU 990 N -4.02 1.61 -3.93 0.04 1.02 -0.86 -4.84 120.64 109.67 1wyg n GLU 990 Ca -0.02 -0.90 -0.17 0.00 -0.02 0.00 0.00 57.16 56.05 1wyg n GLU 990 Cb 0.51 -1.48 -0.16 0.00 -0.02 0.00 0.00 31.44 30.29 1wyg n GLU 990 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1wyg s ASN 991 N -2.02 0.50 -0.23 1.62 0.01 -0.77 -4.32 114.94 109.74 1wyg s ASN 991 Ca 0.38 -0.03 -0.18 0.00 -0.71 0.00 0.00 52.86 52.32 1wyg s ASN 991 Cb 0.21 -0.24 -0.15 0.00 0.41 0.00 0.00 41.25 41.49 1wyg s ASN 991 CO 0.34 -0.11 -0.05 -1.14 -1.51 0.00 0.00 177.10 174.64 1wyg n ARG 992 N 4.20 0.56 -1.15 -0.60 3.00 -0.35 -4.52 116.66 117.80 1wyg n ARG 992 Ca -0.25 0.44 -0.19 0.00 -0.00 0.00 0.00 57.85 57.86 1wyg n ARG 992 Cb 0.50 -1.64 0.21 0.00 0.00 0.00 0.00 32.46 31.54 1wyg n ARG 992 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 1wyg n TRP 993 N -4.39 2.86 -3.37 -0.14 7.02 -1.26 -4.74 117.44 113.42 1wyg n TRP 993 Ca -0.37 -1.64 -0.05 0.00 -1.02 0.00 0.00 57.50 54.42 1wyg n TRP 993 Cb 0.71 -0.87 -0.06 0.00 -2.42 0.00 0.00 31.31 28.68 1wyg n TRP 993 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1wyg s LYS 994 N -3.15 0.43 0.13 -0.99 -0.14 -1.26 -2.50 119.74 112.26 1wyg s LYS 994 Ca 0.55 0.84 0.10 0.00 -1.36 0.00 0.00 55.97 56.10 1wyg s LYS 994 Cb 0.46 0.08 -0.04 0.00 -1.68 0.00 0.00 37.83 36.65 1wyg s LYS 994 CO 0.12 -0.53 -0.23 0.15 -0.76 0.00 0.00 175.35 174.10 1wyg s LYS 995 N 2.68 1.29 0.04 1.68 -0.14 -1.14 -4.68 119.74 119.47 1wyg s LYS 995 Ca 0.11 -1.31 0.08 0.00 -1.36 0.00 0.00 55.97 53.49 1wyg s LYS 995 Cb -0.14 -1.63 -0.03 0.00 -1.68 0.00 0.00 37.83 34.35 1wyg s LYS 995 CO -0.17 0.37 -0.21 1.03 -0.76 0.00 0.00 175.35 175.61 1wyg s ARG 996 N -2.17 1.99 0.19 1.68 0.52 -1.26 -0.67 118.95 119.22 1wyg s ARG 996 Ca 0.12 -1.02 0.09 0.00 -0.52 0.00 0.00 55.73 54.40 1wyg s ARG 996 Cb -0.09 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.21 1wyg s ARG 996 CO 0.06 0.53 -0.18 0.20 0.02 0.00 0.00 175.30 175.93 1wyg s GLY 997 N -1.34 1.48 -0.29 -3.53 0.00 -1.00 -4.15 107.32 98.48 1wyg s GLY 997 Ca 0.13 -1.58 0.02 0.00 0.00 0.00 0.00 44.72 43.29 1wyg s GLY 997 CO 0.04 -1.64 0.42 -2.27 0.00 0.00 0.00 173.10 169.65 1wyg s LEU 998 N -2.90 -0.85 0.05 0.66 2.96 -1.26 -1.45 118.68 115.90 1wyg s LEU 998 Ca 0.19 -0.31 0.09 0.00 -0.22 0.00 0.00 54.13 53.89 1wyg s LEU 998 Cb -0.05 1.18 -0.03 0.00 0.50 0.00 0.00 46.19 47.80 1wyg s LEU 998 CO 0.08 -0.35 -0.25 0.00 -1.32 0.00 0.00 176.35 174.51 1wyg s ILE 1000N -0.85 2.74 0.04 0.00 2.07 -1.26 -2.28 121.20 121.67 1wyg s ILE 1000Ca 0.12 -0.71 0.07 0.00 -1.41 0.00 0.00 60.65 58.72 1wyg s ILE 1000Cb -0.10 -2.21 -0.03 0.00 0.13 0.00 0.00 42.46 40.25 1wyg s ILE 1000CO 0.03 0.48 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.74 1wyg s ILE 1001N 1.34 2.88 0.32 2.00 -1.09 -0.22 -4.89 121.20 121.55 1wyg s ILE 1001Ca 0.05 -1.16 0.08 0.00 -2.23 0.00 0.00 60.65 57.39 1wyg s ILE 1001Cb -0.14 -2.22 -0.04 0.00 -1.58 0.00 0.00 42.46 38.48 1wyg s ILE 1001CO -0.07 0.33 0.13 -2.16 -1.23 0.00 0.00 174.94 171.94 1wyg s PRO 1002N -1.48 2.42 0.07 2.79 0.04 -1.26 -1.53 135.00 136.04 1wyg s PRO 1002Ca 0.15 -1.48 -0.12 0.00 0.04 0.00 0.00 61.00 59.59 1wyg s PRO 1002Cb -0.11 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.23 1wyg s PRO 1002CO 0.06 0.16 0.27 -0.08 0.04 0.00 0.00 177.00 177.45 1wyg s THR 1003N -2.39 0.10 -0.18 1.26 -1.32 -0.39 -4.78 115.64 107.94 1wyg s THR 1003Ca 0.37 -0.85 -0.04 0.00 -1.21 0.00 0.00 61.69 59.96 1wyg s THR 1003Cb -0.04 -1.10 0.08 0.00 -1.51 0.00 0.00 72.50 69.93 1wyg s THR 1003CO 0.23 -0.47 0.18 -0.75 -2.21 0.00 0.00 174.62 171.59 1wyg s LYS 1004N -3.18 0.14 -0.18 7.08 2.20 -1.26 -3.35 119.74 121.18 1wyg s LYS 1004Ca -0.00 0.15 -0.01 0.00 -0.36 0.00 0.00 55.97 55.75 1wyg s LYS 1004Cb 0.01 -1.31 0.00 0.00 -1.51 0.00 0.00 37.83 35.03 1wyg s LYS 1004CO -0.07 -0.63 -0.14 0.12 -0.36 0.00 0.00 175.35 174.27 1wyg s PHE 1005N 2.27 2.82 -0.01 4.03 5.36 -0.28 -4.94 117.98 127.23 1wyg s PHE 1005Ca 0.05 -1.19 -0.29 0.00 -0.96 0.00 0.00 56.93 54.54 1wyg s PHE 1005Cb -0.15 -1.95 -0.03 0.00 -0.34 0.00 0.00 43.02 40.54 1wyg s PHE 1005CO -0.11 -0.59 0.95 0.20 -1.46 0.00 0.00 175.22 174.21 1wyg s GLY 1006N 1.11 2.88 -0.27 13.12 0.00 -1.26 0.15 107.32 123.04 1wyg s GLY 1006Ca 0.00 0.49 -0.11 0.00 0.00 0.00 0.00 44.72 45.11 1wyg s GLY 1006CO -0.05 1.63 0.20 -0.42 0.00 0.00 0.00 173.10 174.45 1wyg s ILE 1007N 0.96 5.31 0.00 0.90 -1.09 0.15 -4.92 121.20 122.51 1wyg s ILE 1007Ca 0.50 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 59.12 1wyg s ILE 1007Cb -0.21 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 1wyg s ILE 1007CO 0.27 0.26 0.00 -1.20 -1.23 0.00 0.00 174.94 173.04 1wyg n SER 1008N 4.94 0.00 -4.80 3.58 7.64 -1.26 -1.24 113.62 122.48 1wyg n SER 1008Ca -0.14 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.39 1wyg n SER 1008Cb 0.52 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 1wyg n SER 1008CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1wyg s PHE 1009N -2.00 3.22 0.25 1.43 0.40 -1.26 -4.92 117.98 115.10 1wyg s PHE 1009Ca 0.00 1.63 0.26 0.00 -0.60 0.00 0.00 56.93 58.22 1wyg s PHE 1009Cb 0.00 -3.02 1.17 0.00 0.51 0.00 0.00 43.02 41.68 1wyg s PHE 1009CO 0.00 -0.50 1.93 1.79 0.70 0.00 0.00 175.22 179.14 1wyg h THR 1010N 1.94 0.52 -3.29 0.64 1.35 -1.94 -3.34 112.91 108.78 1wyg h THR 1010Ca -0.49 -0.86 -0.72 0.00 -0.55 0.00 0.00 66.41 63.79 1wyg h THR 1010Cb 1.21 1.59 -0.21 0.00 -1.73 0.00 0.00 68.15 69.00 1wyg h THR 1010CO 0.61 0.17 -0.23 -0.22 -0.25 0.00 0.00 175.52 175.60 1wyg s LEU 1011N -6.91 5.44 0.21 3.87 2.96 -1.26 -4.88 118.68 118.12 1wyg s LEU 1011Ca -0.01 -1.21 -0.17 0.00 -0.22 0.00 0.00 54.13 52.52 1wyg s LEU 1011Cb 0.11 -2.25 0.21 0.00 0.50 0.00 0.00 46.19 44.76 1wyg s LEU 1011CO 0.61 -0.71 1.58 -0.65 -1.32 0.00 0.00 176.35 175.86 1wyg h PRO 1012N 8.82 -0.08 0.00 0.98 0.11 -1.95 -2.48 132.00 137.40 1wyg h PRO 1012Ca -0.28 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1wyg h PRO 1012Cb 1.11 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1wyg h PRO 1012CO 0.90 -0.05 0.00 0.27 -0.21 0.00 0.00 178.00 178.91 1wyg h PHE 1013N -0.08 0.00 0.00 0.65 -5.15 -1.94 -0.17 116.94 110.26 1wyg h PHE 1013Ca 0.30 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.07 1wyg h PHE 1013Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.74 1wyg h PHE 1013CO -0.68 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 176.91 1wyg n LEU 1014N -3.06 0.00 -3.29 2.10 4.77 -0.93 -3.86 117.00 112.73 1wyg n LEU 1014Ca -0.02 0.10 -0.38 0.00 -0.03 0.00 0.00 56.01 55.68 1wyg n LEU 1014Cb 0.10 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1wyg n LEU 1014CO 0.21 -0.04 2.21 0.59 -1.33 0.00 0.00 177.39 179.03 1wyg n ASN 1015N -1.10 7.73 -3.89 -1.43 3.02 -0.08 -4.73 115.26 114.79 1wyg n ASN 1015Ca 0.12 -3.17 -0.12 0.00 -0.03 0.00 0.00 54.58 51.38 1wyg n ASN 1015Cb 0.09 -1.33 -0.14 0.00 -0.61 0.00 0.00 39.78 37.79 1wyg n ASN 1015CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wyg s GLN 1016N -1.37 0.08 0.03 3.52 -2.07 -1.25 -0.93 119.66 117.66 1wyg s GLN 1016Ca 0.55 -0.09 0.01 0.00 -1.82 0.00 0.00 55.36 54.01 1wyg s GLN 1016Cb 0.22 -0.04 -0.02 0.00 -1.09 0.00 0.00 33.01 32.09 1wyg s GLN 1016CO -0.12 0.01 -0.05 0.20 -1.32 0.00 0.00 175.29 174.00 1wyg s GLY 1017N -0.17 0.36 0.03 2.60 0.00 0.12 -4.31 107.32 105.95 1wyg s GLY 1017Ca -0.01 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.13 1wyg s GLY 1017CO -0.00 -0.64 -0.08 -0.32 0.00 0.00 0.00 173.10 172.06 1wyg s GLY 1018N -1.27 0.46 0.13 0.20 0.00 -1.26 -0.84 107.32 104.74 1wyg s GLY 1018Ca -0.10 -0.59 0.04 0.00 0.00 0.00 0.00 44.72 44.06 1wyg s GLY 1018CO -0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 173.10 172.40 1wyg s ALA 1019N -0.90 1.32 -0.10 3.20 0.00 0.30 -1.57 121.76 124.01 1wyg s ALA 1019Ca -0.05 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 50.46 1wyg s ALA 1019Cb -0.07 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1wyg s ALA 1019CO 0.00 -0.13 -0.00 -1.17 0.00 0.00 0.00 175.76 174.46 1wyg s LEU 1020N -3.11 0.79 -0.01 0.00 2.96 -0.29 0.12 118.68 119.15 1wyg s LEU 1020Ca 0.15 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1wyg s LEU 1020Cb 0.03 -0.52 -0.03 0.00 0.50 0.00 0.00 46.19 46.17 1wyg s LEU 1020CO -0.01 -0.21 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.01 1wyg s VAL 1021N 1.92 3.28 -0.04 1.68 1.01 0.04 -2.26 120.40 126.02 1wyg s VAL 1021Ca 0.04 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1wyg s VAL 1021Cb -0.13 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1wyg s VAL 1021CO -0.06 0.46 -0.11 -1.00 0.00 0.00 0.00 175.10 174.39 1wyg s HIS 1022N -0.88 1.18 -0.25 5.22 3.76 -0.30 -1.89 115.29 122.14 1wyg s HIS 1022Ca 0.14 -0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 54.69 1wyg s HIS 1022Cb -0.11 -0.86 0.03 0.00 1.11 0.00 0.00 32.58 32.75 1wyg s HIS 1022CO 0.04 -0.17 -0.07 0.08 -0.85 0.00 0.00 174.74 173.77 1wyg s VAL 1023N 0.41 2.76 0.73 -0.90 1.01 -0.23 -0.24 120.40 123.94 1wyg s VAL 1023Ca -0.08 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 60.72 1wyg s VAL 1023Cb -0.12 -2.42 0.06 0.00 0.00 0.00 0.00 36.38 33.90 1wyg s VAL 1023CO 0.02 0.18 1.07 -0.31 0.00 0.00 0.00 175.10 176.06 1wyg s TYR 1024N 1.30 3.02 0.42 5.22 1.51 -0.64 -4.81 117.35 123.36 1wyg s TYR 1024Ca -0.01 0.65 0.40 0.00 -1.01 0.00 0.00 57.07 57.11 1wyg s TYR 1024Cb -0.17 -3.23 1.97 0.00 -0.11 0.00 0.00 41.96 40.42 1wyg s TYR 1024CO -0.05 -1.44 2.20 1.79 -1.11 0.00 0.00 175.55 176.95 1wyg h THR 1025N -0.72 0.00 -0.09 -0.71 1.35 -1.94 -0.73 112.91 110.08 1wyg h THR 1025Ca -0.45 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1wyg h THR 1025Cb 1.31 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1wyg h THR 1025CO 0.63 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.00 1wyg n ASP 1026N -3.08 1.11 0.00 5.36 3.85 -1.26 -4.57 116.55 117.96 1wyg n ASP 1026Ca -0.01 -1.55 0.00 0.00 -0.71 0.00 0.00 54.79 52.51 1wyg n ASP 1026Cb 0.17 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 1wyg n ASP 1026CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wyg n GLY 1027N 1.05 2.86 3.54 6.12 0.00 -0.28 -4.89 105.19 113.58 1wyg n GLY 1027Ca 0.17 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1wyg n GLY 1027CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wyg n SER 1028N 0.59 -0.21 -4.14 1.61 3.41 -1.26 -4.60 113.62 109.01 1wyg n SER 1028Ca 0.00 0.77 -0.31 0.00 -0.26 0.00 0.00 58.87 59.07 1wyg n SER 1028Cb 0.00 -1.27 -0.17 0.00 -0.26 0.00 0.00 64.21 62.51 1wyg n SER 1028CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wyg s VAL 1029N -1.62 1.83 -0.35 -3.33 1.01 0.68 -1.63 120.40 116.99 1wyg s VAL 1029Ca 0.72 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 1wyg s VAL 1029Cb -0.43 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1wyg s VAL 1029CO 0.51 0.51 0.18 -0.22 0.00 0.00 0.00 175.10 176.07 1wyg s LEU 1030N 0.71 4.46 0.13 3.92 2.96 0.67 -1.81 118.68 129.73 1wyg s LEU 1030Ca -0.11 -0.86 0.06 0.00 -0.22 0.00 0.00 54.13 53.00 1wyg s LEU 1030Cb -0.16 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1wyg s LEU 1030CO 0.02 -0.32 0.02 -0.22 -1.32 0.00 0.00 176.35 174.53 1wyg s LEU 1031N 1.56 3.46 -0.01 -0.68 2.96 -0.13 -1.15 118.68 124.69 1wyg s LEU 1031Ca 0.02 -0.24 -0.23 0.00 -0.22 0.00 0.00 54.13 53.47 1wyg s LEU 1031Cb -0.18 -2.15 0.05 0.00 0.50 0.00 0.00 46.19 44.40 1wyg s LEU 1031CO 0.06 0.13 0.50 0.28 -1.32 0.00 0.00 176.35 176.00 1wyg s THR 1032N -1.51 0.03 0.18 3.68 -1.32 -0.96 -4.24 115.64 111.50 1wyg s THR 1032Ca 0.27 -0.25 -0.09 0.00 -1.21 0.00 0.00 61.69 60.40 1wyg s THR 1032Cb -0.11 -0.87 -0.01 0.00 -1.51 0.00 0.00 72.50 70.01 1wyg s THR 1032CO 0.19 -0.14 0.31 -1.38 -2.21 0.00 0.00 174.62 171.39 1wyg s HIS 1033N -1.65 0.41 0.53 9.09 -3.43 -1.26 -1.13 115.29 117.84 1wyg s HIS 1033Ca -0.10 -0.76 0.37 0.00 -0.80 0.00 0.00 55.06 53.76 1wyg s HIS 1033Cb -0.02 -0.04 1.97 0.00 -1.43 0.00 0.00 32.58 33.06 1wyg s HIS 1033CO 0.04 -0.75 2.24 0.78 -2.00 0.00 0.00 174.74 175.05 1wyg h GLY 1034N 2.50 0.00 -3.62 -1.38 0.00 -1.64 -3.44 103.07 95.49 1wyg h GLY 1034Ca -0.31 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.53 1wyg h GLY 1034CO 0.47 0.00 0.37 -0.32 0.00 0.00 0.00 176.54 177.06 1wyg s GLY 1035N -4.15 3.05 0.72 4.60 0.00 -1.26 -4.89 107.32 105.39 1wyg s GLY 1035Ca -0.04 0.66 -0.01 0.00 0.00 0.00 0.00 44.72 45.33 1wyg s GLY 1035CO 0.49 1.21 0.99 -0.51 0.00 0.00 0.00 173.10 175.28 1wyg s THR 1036N -1.25 2.18 -0.09 0.90 -4.23 -1.26 -4.83 115.64 107.06 1wyg s THR 1036Ca 0.43 -0.56 0.03 0.00 -1.18 0.00 0.00 61.69 60.41 1wyg s THR 1036Cb -0.26 -2.62 0.01 0.00 1.34 0.00 0.00 72.50 70.97 1wyg s THR 1036CO 0.32 0.00 -0.17 -0.70 -0.54 0.00 0.00 174.62 173.53 1wyg s GLU 1037N -5.15 2.30 0.00 3.99 2.56 -1.26 -4.83 118.70 116.31 1wyg s GLU 1037Ca 0.66 -0.61 0.00 0.00 0.00 0.00 0.00 54.97 55.02 1wyg s GLU 1037Cb -0.06 -1.85 0.00 0.00 2.00 0.00 0.00 34.13 34.22 1wyg s GLU 1037CO 0.44 0.04 0.25 0.00 -0.56 0.00 0.00 175.26 175.43 1wyg n MET 1038N 3.87 0.04 0.00 4.30 0.00 -1.26 0.10 117.12 124.17 1wyg n MET 1038Ca -0.20 -0.28 0.00 0.00 0.00 0.00 0.00 57.70 57.22 1wyg n MET 1038Cb 0.52 -0.60 0.00 0.00 0.00 0.00 0.00 33.22 33.14 1wyg n MET 1038CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1wyg n GLY 1039N -0.03 1.24 0.00 3.17 0.00 -1.26 -2.09 105.19 106.21 1wyg n GLY 1039Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1wyg n GLY 1039CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wyg n GLN 1040N 0.00 0.06 -3.15 1.61 3.00 -1.26 -4.30 117.38 113.34 1wyg n GLN 1040Ca 0.00 0.28 -0.15 0.00 -0.01 0.00 0.00 57.00 57.12 1wyg n GLN 1040Cb 0.00 -1.50 0.06 0.00 0.00 0.00 0.00 30.24 28.80 1wyg n GLN 1040CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wyg n GLY 1041N -0.61 -0.07 0.16 1.08 0.00 -1.26 -4.94 105.19 99.56 1wyg n GLY 1041Ca 0.03 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1wyg n GLY 1041CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wyg h LEU 1042N -1.66 0.54 -0.31 0.99 5.85 -1.89 -2.43 115.31 116.40 1wyg h LEU 1042Ca -0.39 -0.55 -0.02 0.00 0.84 0.00 0.00 57.88 57.77 1wyg h LEU 1042Cb 1.24 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1wyg h LEU 1042CO 0.36 0.99 0.13 0.45 -0.34 0.00 0.00 178.44 180.03 1wyg h HIS 1043N 0.12 0.48 -0.67 1.25 3.86 -1.92 0.24 115.15 118.51 1wyg h HIS 1043Ca 0.01 -0.03 0.13 0.00 -1.16 0.00 0.00 60.37 59.31 1wyg h HIS 1043Cb 0.89 -0.14 -0.09 0.00 1.06 0.00 0.00 27.41 29.12 1wyg h HIS 1043CO 0.10 0.45 0.19 1.15 0.86 0.00 0.00 177.93 180.68 1wyg h THR 1044N 0.36 0.62 0.13 2.45 2.02 -1.95 0.56 112.91 117.10 1wyg h THR 1044Ca 0.11 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1wyg h THR 1044Cb 0.18 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1wyg h THR 1044CO -0.01 0.06 -0.06 0.11 0.37 0.00 0.00 175.52 175.99 1wyg h LYS 1045N 0.32 -0.16 -0.76 6.66 1.57 -0.90 -1.78 116.57 121.52 1wyg h LYS 1045Ca 0.36 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.27 1wyg h LYS 1045Cb 0.56 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.82 1wyg h LYS 1045CO -0.42 0.15 0.37 0.52 -0.57 0.00 0.00 179.45 179.49 1wyg h MET 1046N -0.48 0.56 -0.47 3.15 2.86 0.43 0.18 114.93 121.16 1wyg h MET 1046Ca -0.02 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1wyg h MET 1046Cb 0.38 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1wyg h MET 1046CO 0.03 0.37 0.27 0.28 1.06 0.00 0.00 176.91 178.92 1wyg h VAL 1047N 0.58 1.03 -0.58 -2.22 2.07 0.17 -0.12 116.25 117.18 1wyg h VAL 1047Ca 0.40 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 1wyg h VAL 1047Cb 0.50 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1wyg h VAL 1047CO -0.32 0.10 0.28 1.56 0.02 0.00 0.00 177.57 179.20 1wyg h GLN 1048N 0.54 0.82 0.63 1.57 4.20 -0.09 0.14 115.11 122.92 1wyg h GLN 1048Ca 0.19 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1wyg h GLN 1048Cb 0.04 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.67 1wyg h GLN 1048CO -0.10 0.64 -0.30 0.28 -0.67 0.00 0.00 178.83 178.67 1wyg h VAL 1049N 0.82 0.26 -0.66 -0.54 2.07 0.08 -2.41 116.25 115.86 1wyg h VAL 1049Ca 0.20 -0.27 0.10 0.00 0.82 0.00 0.00 66.70 67.56 1wyg h VAL 1049Cb 0.09 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 30.12 1wyg h VAL 1049CO -0.03 0.03 0.28 0.00 0.02 0.00 0.00 177.57 177.87 1wyg h ALA 1050N -0.82 0.89 -0.36 1.67 0.00 -0.81 0.79 119.26 120.62 1wyg h ALA 1050Ca -0.09 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1wyg h ALA 1050Cb 0.69 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1wyg h ALA 1050CO 0.14 -0.14 0.24 1.03 0.00 0.00 0.00 179.25 180.52 1wyg h SER 1051N 0.48 0.35 0.62 0.00 0.87 -0.69 0.82 113.55 116.00 1wyg h SER 1051Ca 0.33 -0.01 -0.28 0.00 -1.23 0.00 0.00 61.79 60.61 1wyg h SER 1051Cb 0.40 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1wyg h SER 1051CO -0.30 0.25 -1.33 -0.09 -0.53 0.00 0.00 176.83 174.82 1wyg h ARG 1052N 0.41 0.20 -0.55 2.24 2.43 -0.74 -2.22 114.38 116.16 1wyg h ARG 1052Ca 0.14 -0.35 -0.11 0.00 -0.81 0.00 0.00 59.98 58.85 1wyg h ARG 1052Cb 0.06 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1wyg h ARG 1052CO -0.03 1.11 -0.08 0.00 -1.51 0.00 0.00 179.97 179.45 1wyg h ALA 1053N 0.64 0.75 -0.01 2.80 0.00 0.14 -3.08 119.26 120.50 1wyg h ALA 1053Ca -0.16 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1wyg h ALA 1053Cb 1.96 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1wyg h ALA 1053CO 0.17 0.64 -0.34 1.28 0.00 0.00 0.00 179.25 181.00 1wyg n LEU 1054N -4.18 1.12 -3.58 0.00 4.77 0.18 -4.90 117.00 110.41 1wyg n LEU 1054Ca 0.02 -0.32 -0.22 0.00 -0.03 0.00 0.00 56.01 55.46 1wyg n LEU 1054Cb 0.39 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1wyg n LEU 1054CO 0.45 0.21 0.17 0.29 -1.33 0.00 0.00 177.39 177.19 1wyg n LYS 1055N -0.68 -7.17 -4.04 3.23 5.02 -0.92 -5.01 118.16 108.59 1wyg n LYS 1055Ca 0.11 0.80 -0.13 0.00 -2.02 0.00 0.00 58.31 57.07 1wyg n LYS 1055Cb 0.36 -5.80 -0.13 0.00 -0.02 0.00 0.00 35.03 29.44 1wyg n LYS 1055CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1wyg s ILE 1056N -3.35 0.30 0.44 -0.18 -4.36 -0.88 -5.05 121.20 108.12 1wyg s ILE 1056Ca 0.38 -0.51 -0.23 0.00 -0.26 0.00 0.00 60.65 60.03 1wyg s ILE 1056Cb -0.17 -0.33 -0.11 0.00 1.25 0.00 0.00 42.46 43.10 1wyg s ILE 1056CO 0.74 -0.14 0.74 -0.81 0.24 0.00 0.00 174.94 175.71 1wyg n PRO 1057N 2.37 0.85 0.33 0.37 -0.04 -1.26 -4.58 135.00 133.04 1wyg n PRO 1057Ca -0.17 0.31 0.21 0.00 -0.04 0.00 0.00 63.50 63.81 1wyg n PRO 1057Cb 0.57 -1.74 1.16 0.00 -0.04 0.00 0.00 33.50 33.44 1wyg n PRO 1057CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1wyg h THR 1058N 1.00 0.10 -0.17 0.52 1.35 -1.89 -1.93 112.91 111.90 1wyg h THR 1058Ca -0.42 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.49 1wyg h THR 1058Cb 1.38 0.99 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 1wyg h THR 1058CO 0.53 0.00 0.13 0.77 -0.25 0.00 0.00 175.52 176.70 1wyg h SER 1059N 0.00 0.00 0.36 5.36 4.64 -1.98 -0.80 113.55 121.13 1wyg h SER 1059Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wyg h SER 1059Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1wyg h SER 1059CO -0.00 0.00 -0.17 0.29 -0.87 0.00 0.00 176.83 176.08 1wyg n LYS 1060N -4.37 0.66 -4.12 4.77 5.02 -0.72 -4.86 118.16 114.53 1wyg n LYS 1060Ca 0.01 -0.29 -0.27 0.00 -2.02 0.00 0.00 58.31 55.75 1wyg n LYS 1060Cb 0.26 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.71 1wyg n LYS 1060CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1wyg s ILE 1061N -2.53 4.21 -0.14 -0.18 1.01 -0.31 -0.23 121.20 123.04 1wyg s ILE 1061Ca 0.26 -1.15 -0.25 0.00 0.00 0.00 0.00 60.65 59.52 1wyg s ILE 1061Cb 0.20 -3.12 0.06 0.00 0.01 0.00 0.00 42.46 39.61 1wyg s ILE 1061CO 0.50 -0.06 0.61 -2.28 0.00 0.00 0.00 174.94 173.71 1wyg s HIS 1062N -1.67 -0.61 -0.10 3.97 2.46 -0.75 -4.94 115.29 113.65 1wyg s HIS 1062Ca 0.29 1.29 0.00 0.00 0.47 0.00 0.00 55.06 57.12 1wyg s HIS 1062Cb -0.10 0.29 0.02 0.00 -0.13 0.00 0.00 32.58 32.66 1wyg s HIS 1062CO 0.21 -0.45 -0.10 0.42 -2.47 0.00 0.00 174.74 172.36 1wyg s ILE 1063N -0.47 1.13 -0.21 0.89 1.01 -1.26 -0.96 121.20 121.33 1wyg s ILE 1063Ca -0.06 -0.39 0.15 0.00 0.00 0.00 0.00 60.65 60.35 1wyg s ILE 1063Cb -0.03 -1.10 -0.24 0.00 0.01 0.00 0.00 42.46 41.11 1wyg s ILE 1063CO 0.05 0.38 0.04 -0.24 0.00 0.00 0.00 174.94 175.16 1wyg n SER 1064N 4.59 0.37 -2.27 3.58 2.88 -1.26 -5.05 113.62 116.45 1wyg n SER 1064Ca -0.16 -0.01 0.01 0.00 -1.33 0.00 0.00 58.87 57.38 1wyg n SER 1064Cb 0.51 0.72 0.01 0.00 -0.75 0.00 0.00 64.21 64.69 1wyg n SER 1064CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1wyg n GLU 1065N -2.85 0.09 -5.00 -1.46 0.28 -1.26 -4.80 120.64 105.63 1wyg n GLU 1065Ca -0.35 -0.36 -0.27 0.00 -0.16 0.00 0.00 57.16 56.02 1wyg n GLU 1065Cb 1.13 0.59 -0.16 0.00 1.43 0.00 0.00 31.44 34.43 1wyg n GLU 1065CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1wyg s THR 1066N -2.10 1.63 0.05 3.84 2.01 -0.09 -4.63 115.64 116.34 1wyg s THR 1066Ca 0.14 -0.87 -0.27 0.00 0.31 0.00 0.00 61.69 61.00 1wyg s THR 1066Cb -0.00 -1.37 0.08 0.00 0.01 0.00 0.00 72.50 71.22 1wyg s THR 1066CO -0.00 0.46 0.73 -0.94 -0.69 0.00 0.00 174.62 174.18 1wyg s SER 1067N -0.34 -0.52 0.00 3.53 1.04 -1.26 -0.30 113.70 115.86 1wyg s SER 1067Ca 0.04 0.18 0.19 0.00 0.48 0.00 0.00 55.95 56.84 1wyg s SER 1067Cb -0.09 0.51 0.93 0.00 0.10 0.00 0.00 66.02 67.46 1wyg s SER 1067CO 0.00 -0.75 1.58 0.35 0.98 0.00 0.00 173.24 175.40 1wyg n THR 1068N 0.01 0.47 0.03 2.02 -2.24 -0.98 -2.75 114.28 110.84 1wyg n THR 1068Ca -0.15 0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.64 1wyg n THR 1068Cb 0.62 -0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 67.96 1wyg n THR 1068CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1wyg h ASN 1069N 0.00 -0.13 0.06 3.42 2.35 -1.93 -3.39 115.58 115.97 1wyg h ASN 1069Ca 0.00 -0.44 -0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1wyg h ASN 1069Cb 0.19 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1wyg h ASN 1069CO 0.00 0.46 -0.03 0.71 -1.65 0.00 0.00 177.43 176.92 1wyg h THR 1070N -0.82 1.22 -3.38 2.81 1.35 -1.96 -3.45 112.91 108.67 1wyg h THR 1070Ca -0.02 -1.47 -0.53 0.00 -0.55 0.00 0.00 66.41 63.84 1wyg h THR 1070Cb 0.56 2.11 -0.34 0.00 -1.73 0.00 0.00 68.15 68.75 1wyg h THR 1070CO 0.03 0.34 -0.82 -0.69 -0.25 0.00 0.00 175.52 174.12 1wyg s VAL 1071N -3.22 1.23 0.31 6.82 1.01 -1.11 -4.80 120.40 120.63 1wyg s VAL 1071Ca -0.15 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1wyg s VAL 1071Cb -0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1wyg s VAL 1071CO 0.57 0.38 0.20 -2.16 0.00 0.00 0.00 175.10 174.09 1wyg s PRO 1072N 0.74 2.66 -1.34 2.72 0.04 -1.26 -4.17 135.00 134.39 1wyg s PRO 1072Ca -0.13 -1.30 -0.01 0.00 0.04 0.00 0.00 61.00 59.60 1wyg s PRO 1072Cb -0.16 -2.40 -0.00 0.00 0.04 0.00 0.00 34.50 31.98 1wyg s PRO 1072CO 0.03 0.21 0.57 0.09 0.04 0.00 0.00 177.00 177.94 1wyg n ASN 1073N -1.22 -1.01 -4.85 6.66 3.02 -1.26 -4.96 115.26 111.63 1wyg n ASN 1073Ca -0.04 -0.92 -0.36 0.00 -0.03 0.00 0.00 54.58 53.23 1wyg n ASN 1073Cb 0.59 -3.55 -0.06 0.00 -0.61 0.00 0.00 39.78 36.16 1wyg n ASN 1073CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1wyg s THR 1074N -3.80 5.03 0.63 3.41 -4.23 -1.26 -5.01 115.64 110.41 1wyg s THR 1074Ca 0.03 0.62 -0.16 0.00 -1.18 0.00 0.00 61.69 61.00 1wyg s THR 1074Cb -0.01 -3.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.13 1wyg s THR 1074CO 0.85 0.35 1.11 -0.44 -0.54 0.00 0.00 174.62 175.95 1wyg s SER 1075N -1.58 5.30 0.85 3.99 0.01 -1.26 -4.38 113.70 116.63 1wyg s SER 1075Ca 0.32 2.01 -0.10 0.00 1.31 0.00 0.00 55.95 59.48 1wyg s SER 1075Cb -0.15 -2.55 0.11 0.00 0.21 0.00 0.00 66.02 63.64 1wyg s SER 1075CO 0.17 -1.50 1.13 -2.16 0.41 0.00 0.00 173.24 171.29 1wyg s PRO 1076N -3.94 1.53 -0.91 12.44 0.04 -1.26 -4.84 135.00 138.05 1wyg s PRO 1076Ca 0.68 1.41 -0.23 0.00 0.04 0.00 0.00 61.00 62.90 1wyg s PRO 1076Cb -0.21 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.60 1wyg s PRO 1076CO 0.38 -2.23 1.30 0.99 0.04 0.00 0.00 177.00 177.49 1wyg s THR 1077N -2.73 4.10 0.26 1.26 2.01 0.40 -4.88 115.64 116.05 1wyg s THR 1077Ca 0.65 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.88 1wyg s THR 1077Cb -0.21 -4.94 0.03 0.00 0.01 0.00 0.00 72.50 67.40 1wyg s THR 1077CO 0.57 -1.78 0.48 0.00 -0.69 0.00 0.00 174.62 173.20 1wyg n ALA 1078N 8.35 -1.00 -1.30 7.40 0.00 -1.26 -4.85 120.51 127.85 1wyg n ALA 1078Ca 0.22 -0.88 -0.10 0.00 0.00 0.00 0.00 53.44 52.68 1wyg n ALA 1078Cb 0.50 0.70 -0.04 0.00 0.00 0.00 0.00 19.45 20.60 1wyg n ALA 1078CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wyg n ALA 1079N -1.41 -0.16 -0.33 0.00 0.00 -1.26 -2.70 120.51 114.65 1wyg n ALA 1079Ca -0.11 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1wyg n ALA 1079Cb 0.39 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1wyg n ALA 1079CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wyg n SER 1080N -1.02 0.00 0.19 0.00 7.64 -1.26 -4.47 113.62 114.70 1wyg n SER 1080Ca -0.10 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.90 1wyg n SER 1080Cb 0.55 -1.33 0.26 0.00 -1.01 0.00 0.00 64.21 62.68 1wyg n SER 1080CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wyg h ALA 1081N 0.00 1.00 -0.96 -0.43 0.00 -1.93 -3.39 119.26 113.56 1wyg h ALA 1081Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.21 1wyg h ALA 1081Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.62 1wyg h ALA 1081CO 0.00 0.00 0.25 0.77 0.00 0.00 0.00 179.25 180.27 1wyg h SER 1082N 0.00 -0.08 0.97 0.00 0.02 -1.87 0.93 113.55 113.52 1wyg h SER 1082Ca 0.00 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1wyg h SER 1082Cb 0.90 0.34 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1wyg h SER 1082CO 0.00 -0.29 -0.00 0.00 -1.14 0.00 0.00 176.83 175.39 1wyg n ALA 1083N -2.74 2.35 -0.05 3.77 0.00 -1.26 -1.53 120.51 121.05 1wyg n ALA 1083Ca 0.26 -0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.39 1wyg n ALA 1083Cb 0.87 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 1wyg n ALA 1083CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1wyg h ASP 1084N 0.00 0.19 0.38 0.00 5.19 0.51 -3.11 116.42 119.57 1wyg h ASP 1084Ca 0.00 -0.73 -0.02 0.00 -0.62 0.00 0.00 57.03 55.66 1wyg h ASP 1084Cb 0.49 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1wyg h ASP 1084CO 0.00 1.55 -0.18 -0.07 -3.12 0.00 0.00 179.24 177.41 1wyg h LEU 1085N -0.61 -0.43 -0.92 1.55 4.07 -0.94 -3.08 115.31 114.94 1wyg h LEU 1085Ca -0.32 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.65 1wyg h LEU 1085Cb 1.54 0.11 -0.04 0.00 1.08 0.00 0.00 40.66 43.35 1wyg h LEU 1085CO -0.06 -0.02 0.54 0.78 -1.08 0.00 0.00 178.44 178.59 1wyg h ASN 1086N -1.09 1.13 0.10 -0.43 4.21 -1.51 -2.08 115.58 115.91 1wyg h ASN 1086Ca -0.05 -0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.36 1wyg h ASN 1086Cb 0.39 -0.29 -0.00 0.00 -1.12 0.00 0.00 38.32 37.30 1wyg h ASN 1086CO 0.09 0.88 -0.09 1.23 -1.29 0.00 0.00 177.43 178.25 1wyg h GLY 1087N 1.28 0.00 1.42 2.83 0.00 -1.67 0.14 103.07 107.07 1wyg h GLY 1087Ca 0.33 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.39 1wyg h GLY 1087CO -0.06 0.00 -1.13 -1.61 0.00 0.00 0.00 176.54 173.74 1wyg h GLN 1088N 0.00 0.49 0.35 4.80 5.75 -1.31 -2.65 115.11 122.54 1wyg h GLN 1088Ca -0.00 -0.63 -0.02 0.00 -0.15 0.00 0.00 58.65 57.85 1wyg h GLN 1088Cb 0.16 0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.92 1wyg h GLN 1088CO 0.01 1.25 -0.17 0.78 -2.65 0.00 0.00 178.83 178.06 1wyg h GLY 1089N 0.87 -0.49 0.44 2.39 0.00 -0.63 -1.84 103.07 103.82 1wyg h GLY 1089Ca -0.14 0.18 0.19 0.00 0.00 0.00 0.00 47.33 47.56 1wyg h GLY 1089CO 0.20 -0.18 0.56 -2.08 0.00 0.00 0.00 176.54 175.05 1wyg h VAL 1090N -0.66 0.71 -0.03 4.60 2.07 -0.85 -0.94 116.25 121.16 1wyg h VAL 1090Ca -0.05 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1wyg h VAL 1090Cb 0.47 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1wyg h VAL 1090CO 0.08 0.07 0.00 0.22 0.02 0.00 0.00 177.57 177.96 1wyg h TYR 1091N 0.38 0.05 -0.06 1.57 3.20 -1.07 -1.89 116.97 119.15 1wyg h TYR 1091Ca 0.43 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.29 1wyg h TYR 1091Cb 1.08 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 1wyg h TYR 1091CO -0.00 0.31 0.03 0.93 -1.64 0.00 0.00 178.16 177.79 1wyg h GLU 1092N -0.22 0.08 -0.58 1.82 4.39 -0.40 -1.57 114.58 118.09 1wyg h GLU 1092Ca 0.01 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.82 1wyg h GLU 1092Cb 0.29 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.83 1wyg h GLU 1092CO 0.00 0.11 0.04 0.00 -1.16 0.00 0.00 179.01 178.00 1wyg h ALA 1093N 0.97 0.61 -0.07 3.43 0.00 -1.24 0.87 119.26 123.82 1wyg h ALA 1093Ca 0.02 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1wyg h ALA 1093Cb 0.05 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wyg h ALA 1093CO -0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 179.25 178.74 1wyg h GLN 1095N 0.10 0.00 -0.35 0.00 1.08 0.13 -2.24 115.11 113.83 1wyg h GLN 1095Ca 0.02 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.13 1wyg h GLN 1095Cb 0.31 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1wyg h GLN 1095CO 0.02 0.71 -0.14 1.15 -0.95 0.00 0.00 178.83 179.62 1wyg h THR 1096N 0.00 1.28 -0.53 -0.54 2.02 -0.66 -1.68 112.91 112.80 1wyg h THR 1096Ca -0.01 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 65.93 1wyg h THR 1096Cb 1.29 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 69.02 1wyg h THR 1096CO 0.09 0.41 0.32 0.40 0.37 0.00 0.00 175.52 177.11 1wyg h ILE 1097N 0.51 1.16 -0.23 3.11 1.08 -1.34 -2.28 117.51 119.52 1wyg h ILE 1097Ca 0.08 -0.36 -0.05 0.00 -0.39 0.00 0.00 64.86 64.14 1wyg h ILE 1097Cb 0.67 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 1wyg h ILE 1097CO 0.05 0.17 -0.10 -0.07 -0.69 0.00 0.00 178.15 177.51 1wyg h LEU 1098N 0.72 0.35 0.48 1.44 3.38 -1.28 -0.57 115.31 119.84 1wyg h LEU 1098Ca 0.19 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1wyg h LEU 1098Cb -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1wyg h LEU 1098CO -0.04 0.49 -0.26 0.50 0.09 0.00 0.00 178.44 179.23 1wyg h LYS 1099N 0.36 -0.66 -1.00 1.13 3.64 -0.83 -1.01 116.57 118.19 1wyg h LYS 1099Ca 0.07 0.04 0.28 0.00 -1.27 0.00 0.00 60.65 59.77 1wyg h LYS 1099Cb 0.39 0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 32.23 1wyg h LYS 1099CO 0.02 -0.44 0.58 0.00 -2.27 0.00 0.00 179.45 177.35 1wyg h ARG 1100N -0.68 0.46 0.00 1.90 3.08 -1.23 -1.59 114.38 116.31 1wyg h ARG 1100Ca -0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1wyg h ARG 1100Cb 0.53 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1wyg h ARG 1100CO 0.09 0.31 -0.11 1.28 -1.07 0.00 0.00 179.97 180.46 1wyg n LEU 1101N -4.95 0.24 0.09 3.04 4.77 -0.24 -4.27 117.00 115.67 1wyg n LEU 1101Ca 0.29 0.41 -0.00 0.00 -0.03 0.00 0.00 56.01 56.68 1wyg n LEU 1101Cb 0.84 -0.42 0.29 0.00 -2.33 0.00 0.00 43.42 41.81 1wyg n LEU 1101CO 0.14 -0.01 0.76 1.05 -1.33 0.00 0.00 177.39 178.00 1wyg h GLU 1102N 0.00 0.27 -0.74 3.23 4.11 -0.14 -2.22 114.58 119.09 1wyg h GLU 1102Ca 0.00 -0.10 0.05 0.00 0.07 0.00 0.00 59.36 59.39 1wyg h GLU 1102Cb 0.55 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1wyg h GLU 1102CO 0.00 0.53 0.49 -1.35 0.07 0.00 0.00 179.01 178.74 1wyg h PRO 1103N 0.24 0.80 0.04 1.06 0.11 -1.77 0.64 132.00 133.12 1wyg h PRO 1103Ca 0.04 -0.05 -0.23 0.00 0.11 0.00 0.00 66.00 65.87 1wyg h PRO 1103Cb 0.61 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1wyg h PRO 1103CO 0.04 0.53 -1.01 0.74 -0.21 0.00 0.00 178.00 178.10 1wyg h PHE 1104N 0.83 0.36 -0.17 0.65 -1.00 -1.80 -2.68 116.94 113.13 1wyg h PHE 1104Ca 0.31 -0.22 -0.03 0.00 2.81 0.00 0.00 57.97 60.83 1wyg h PHE 1104Cb 0.18 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 1wyg h PHE 1104CO -0.00 1.09 -0.02 -0.22 -1.61 0.00 0.00 178.31 177.55 1wyg h LYS 1105N 0.10 0.32 -0.55 1.51 3.64 -0.63 -2.31 116.57 118.65 1wyg h LYS 1105Ca -0.07 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1wyg h LYS 1105Cb 1.69 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.44 1wyg h LYS 1105CO 0.16 0.56 0.29 -0.22 -2.27 0.00 0.00 179.45 177.97 1wyg h LYS 1106N 0.05 0.55 0.07 1.90 3.64 0.22 -0.65 116.57 122.35 1wyg h LYS 1106Ca 0.05 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1wyg h LYS 1106Cb 0.43 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1wyg h LYS 1106CO 0.01 0.36 -0.05 0.87 -2.27 0.00 0.00 179.45 178.37 1wyg h LYS 1107N 0.56 -0.13 -3.00 1.90 1.57 -1.38 -3.32 116.57 112.78 1wyg h LYS 1107Ca 0.24 0.01 -0.62 0.00 -1.87 0.00 0.00 60.65 58.41 1wyg h LYS 1107Cb 0.13 0.03 -0.42 0.00 0.08 0.00 0.00 32.23 32.05 1wyg h LYS 1107CO -0.16 -0.08 -0.55 1.17 -0.57 0.00 0.00 179.45 179.27 1wyg n LYS 1108N -5.16 1.97 -0.31 3.15 4.81 -0.88 -4.98 118.16 116.76 1wyg n LYS 1108Ca -0.07 -4.52 0.17 0.00 -0.87 0.00 0.00 58.31 53.01 1wyg n LYS 1108Cb 0.09 -2.29 0.35 0.00 0.02 0.00 0.00 35.03 33.20 1wyg n LYS 1108CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1wyg h PRO 1109N 5.27 0.21 -0.02 1.64 0.11 -1.23 -1.83 132.00 136.15 1wyg h PRO 1109Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1wyg h PRO 1109Cb 0.74 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1wyg h PRO 1109CO 0.74 0.14 -0.18 0.25 -0.21 0.00 0.00 178.00 178.74 1wyg n THR 1110N -5.20 0.00 -1.77 -1.15 -2.24 -1.26 -4.99 114.28 97.67 1wyg n THR 1110Ca 0.25 -0.41 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 1wyg n THR 1110Cb 0.79 1.30 -0.00 0.00 -2.10 0.00 0.00 70.33 70.32 1wyg n THR 1110CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wyg n GLY 1111N 1.12 1.22 3.32 3.38 0.00 -0.69 -4.94 105.19 108.61 1wyg n GLY 1111Ca 0.09 0.35 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 1wyg n GLY 1111CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wyg n PRO 1112N 0.85 -0.71 -0.19 1.61 -0.04 -1.26 -4.75 135.00 130.51 1wyg n PRO 1112Ca 0.03 -0.18 -0.09 0.00 -0.04 0.00 0.00 63.50 63.23 1wyg n PRO 1112Cb 0.38 -1.71 0.01 0.00 -0.04 0.00 0.00 33.50 32.15 1wyg n PRO 1112CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1wyg h TRP 1113N -1.68 0.93 -0.90 0.54 2.91 -1.99 -2.52 115.95 113.24 1wyg h TRP 1113Ca -0.47 -0.12 0.10 0.00 1.13 0.00 0.00 58.89 59.53 1wyg h TRP 1113Cb 1.31 -0.26 -0.08 0.00 -0.51 0.00 0.00 29.16 29.63 1wyg h TRP 1113CO 0.28 0.82 0.54 0.93 -1.03 0.00 0.00 178.44 179.98 1wyg h GLU 1114N 0.77 0.86 0.08 2.65 3.07 -1.91 -1.53 114.58 118.57 1wyg h GLU 1114Ca 0.17 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1wyg h GLU 1114Cb 0.38 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1wyg h GLU 1114CO 0.01 0.57 -0.04 0.00 -1.40 0.00 0.00 179.01 178.15 1wyg h ALA 1115N 1.49 -0.10 -0.51 3.43 0.00 -1.80 -1.93 119.26 119.84 1wyg h ALA 1115Ca 0.44 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.27 1wyg h ALA 1115Cb 0.40 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1wyg h ALA 1115CO -0.25 -0.48 0.34 -1.49 0.00 0.00 0.00 179.25 177.36 1wyg h TRP 1116N -0.25 0.61 0.04 0.00 6.55 -1.08 -2.03 115.95 119.78 1wyg h TRP 1116Ca -0.01 0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 1wyg h TRP 1116Cb 0.22 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 28.31 1wyg h TRP 1116CO -0.02 0.38 -0.02 0.28 -1.05 0.00 0.00 178.44 178.00 1wyg h VAL 1117N 0.65 1.15 0.24 1.49 2.07 -1.05 -2.05 116.25 118.76 1wyg h VAL 1117Ca 0.19 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1wyg h VAL 1117Cb -0.02 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1wyg h VAL 1117CO -0.04 0.16 -0.22 -0.03 0.02 0.00 0.00 177.57 177.45 1wyg h MET 1118N -0.32 -0.47 -0.67 1.57 1.85 -1.08 -0.68 114.93 115.12 1wyg h MET 1118Ca -0.01 0.03 0.11 0.00 -0.61 0.00 0.00 59.70 59.23 1wyg h MET 1118Cb 0.30 0.11 -0.12 0.00 0.43 0.00 0.00 31.60 32.31 1wyg h MET 1118CO 0.01 -0.31 -0.36 -0.44 -0.40 0.00 0.00 176.91 175.41 1wyg h ASP 1119N -0.49 -1.25 -0.77 1.39 5.19 -1.39 0.36 116.42 119.46 1wyg h ASP 1119Ca -0.01 0.25 0.09 0.00 -0.62 0.00 0.00 57.03 56.74 1wyg h ASP 1119Cb 0.45 0.62 -0.07 0.00 0.18 0.00 0.00 39.33 40.51 1wyg h ASP 1119CO -0.04 -0.30 0.42 0.00 -3.12 0.00 0.00 179.24 176.20 1wyg h ALA 1120N 1.02 1.08 0.74 3.45 0.00 -1.02 -1.11 119.26 123.43 1wyg h ALA 1120Ca 0.25 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1wyg h ALA 1120Cb 0.56 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1wyg h ALA 1120CO -0.74 0.05 -0.35 -0.92 0.00 0.00 0.00 179.25 177.28 1wyg h TYR 1121N 0.72 -0.92 0.00 0.00 3.20 0.10 -0.36 116.97 119.72 1wyg h TYR 1121Ca 0.37 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.22 1wyg h TYR 1121Cb 0.34 0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.91 1wyg h TYR 1121CO -0.08 -0.55 0.00 0.25 -1.64 0.00 0.00 178.16 176.14 1wyg n THR 1122N -5.47 0.00 -0.43 1.81 -2.24 0.92 -0.57 114.28 108.30 1wyg n THR 1122Ca -0.14 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.70 1wyg n THR 1122Cb 0.41 -0.91 0.15 0.00 -2.10 0.00 0.00 70.33 67.88 1wyg n THR 1122CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wyg n SER 1123N -1.00 2.97 -3.56 3.42 7.64 -0.45 -4.99 113.62 117.65 1wyg n SER 1123Ca 0.05 -2.35 -0.20 0.00 1.01 0.00 0.00 58.87 57.37 1wyg n SER 1123Cb 0.02 -0.29 0.07 0.00 -1.01 0.00 0.00 64.21 63.00 1wyg n SER 1123CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wyg n ALA 1124N -0.09 -1.86 -2.94 -0.43 0.00 0.27 -5.00 120.51 110.46 1wyg n ALA 1124Ca 0.12 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.23 1wyg n ALA 1124Cb 0.53 -2.94 -0.12 0.00 0.00 0.00 0.00 19.45 16.93 1wyg n ALA 1124CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wyg s VAL 1125N -3.43 4.11 0.30 0.00 1.01 -0.19 -5.04 120.40 117.15 1wyg s VAL 1125Ca 0.14 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1wyg s VAL 1125Cb -0.06 -2.82 -0.11 0.00 0.00 0.00 0.00 36.38 33.38 1wyg s VAL 1125CO 0.76 0.48 1.55 -0.55 0.00 0.00 0.00 175.10 177.33 1wyg s SER 1126N 0.45 6.43 -0.26 3.32 0.15 -1.26 -4.50 113.70 118.03 1wyg s SER 1126Ca -0.02 2.91 0.09 0.00 0.70 0.00 0.00 55.95 59.63 1wyg s SER 1126Cb -0.14 -2.64 0.45 0.00 -1.71 0.00 0.00 66.02 61.99 1wyg s SER 1126CO 0.02 -0.86 1.19 0.18 1.20 0.00 0.00 173.24 174.97 1wyg n LEU 1127N 1.97 4.08 -3.73 3.45 4.77 -1.26 -4.98 117.00 121.29 1wyg n LEU 1127Ca 0.07 -4.37 -0.12 0.00 -0.03 0.00 0.00 56.01 51.55 1wyg n LEU 1127Cb 0.38 -0.34 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 1wyg n LEU 1127CO 0.63 1.83 -0.09 -0.55 -1.33 0.00 0.00 177.39 177.88 1wyg s SER 1128N -3.48 -0.30 0.04 -1.43 0.15 -1.26 -1.07 113.70 106.35 1wyg s SER 1128Ca 0.46 0.58 -0.14 0.00 0.70 0.00 0.00 55.95 57.54 1wyg s SER 1128Cb 0.39 0.48 0.02 0.00 -1.71 0.00 0.00 66.02 65.20 1wyg s SER 1128CO 0.00 -0.16 0.31 0.00 1.20 0.00 0.00 173.24 174.59 1wyg s ALA 1129N 1.13 -0.71 0.22 5.45 0.00 -0.79 -5.01 121.76 122.05 1wyg s ALA 1129Ca -0.08 0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1wyg s ALA 1129Cb -0.09 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1wyg s ALA 1129CO -0.08 -0.41 0.37 0.95 0.00 0.00 0.00 175.76 176.59 1wyg s THR 1130N -2.49 5.25 -0.02 0.00 -4.23 -1.26 -0.78 115.64 112.10 1wyg s THR 1130Ca -0.05 -0.73 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1wyg s THR 1130Cb -0.01 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 70.03 1wyg s THR 1130CO -0.03 -0.27 -0.07 -0.83 -0.54 0.00 0.00 174.62 172.89 1wyg s GLY 1131N -3.64 0.43 0.05 3.99 0.00 0.32 -4.23 107.32 104.24 1wyg s GLY 1131Ca 0.36 -0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.87 1wyg s GLY 1131CO 0.30 0.02 -0.06 -0.12 0.00 0.00 0.00 173.10 173.24 1wyg s PHE 1132N 0.29 0.62 -0.10 1.90 5.36 -1.26 0.11 117.98 124.90 1wyg s PHE 1132Ca -0.04 -0.65 -0.19 0.00 -0.96 0.00 0.00 56.93 55.09 1wyg s PHE 1132Cb -0.08 -0.38 0.04 0.00 -0.34 0.00 0.00 43.02 42.26 1wyg s PHE 1132CO 0.00 -0.15 0.47 -0.47 -1.46 0.00 0.00 175.22 173.61 1wyg s TYR 1133N -2.12 -0.44 -0.01 10.12 5.04 -0.02 -4.63 117.35 125.28 1wyg s TYR 1133Ca -0.05 0.94 0.01 0.00 -2.44 0.00 0.00 57.07 55.53 1wyg s TYR 1133Cb -0.05 0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.46 1wyg s TYR 1133CO -0.02 -0.37 -0.03 -1.59 -1.34 0.00 0.00 175.55 172.20 1wyg s LYS 1134N -0.53 0.30 -0.04 4.97 -2.85 -1.26 -0.70 119.74 119.62 1wyg s LYS 1134Ca -0.07 -0.11 -0.30 0.00 -1.00 0.00 0.00 55.97 54.50 1wyg s LYS 1134Cb -0.03 -0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.39 1wyg s LYS 1134CO 0.04 0.06 1.21 0.99 0.10 0.00 0.00 175.35 177.74 1wyg s THR 1135N 0.03 4.21 0.28 3.79 2.01 -0.11 -5.01 115.64 120.84 1wyg s THR 1135Ca 0.00 1.55 -0.17 0.00 0.31 0.00 0.00 61.69 63.37 1wyg s THR 1135Cb -0.03 -3.99 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 1wyg s THR 1135CO -0.00 0.01 0.73 -2.16 -0.69 0.00 0.00 174.62 172.51 1wyg s PRO 1136N 2.09 4.13 -0.72 4.92 0.04 -1.26 -4.41 135.00 139.80 1wyg s PRO 1136Ca 0.57 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1wyg s PRO 1136Cb -0.25 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1wyg s PRO 1136CO 0.23 0.27 0.00 0.09 0.04 0.00 0.00 177.00 177.63 1wyg n ASN 1137N 0.16 -4.24 -4.91 6.66 3.02 -1.26 -4.99 115.26 109.71 1wyg n ASN 1137Ca 0.01 0.17 -0.28 0.00 -0.03 0.00 0.00 54.58 54.45 1wyg n ASN 1137Cb 0.52 -2.34 0.01 0.00 -0.61 0.00 0.00 39.78 37.36 1wyg n ASN 1137CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wyg s LEU 1138N -1.54 3.45 0.00 3.41 1.43 -1.26 -4.51 118.68 119.66 1wyg s LEU 1138Ca 0.00 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1wyg s LEU 1138Cb 0.00 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.37 1wyg s LEU 1138CO 0.00 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.41 1wyg n GLY 1139N -2.43 3.21 3.25 -3.19 0.00 -0.12 -4.93 105.19 100.98 1wyg n GLY 1139Ca 0.03 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 1wyg n GLY 1139CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wyg s TYR 1140N 0.00 1.99 -0.17 1.61 5.04 -1.26 -3.17 117.35 121.39 1wyg s TYR 1140Ca 0.00 -0.38 -0.02 0.00 -2.44 0.00 0.00 57.07 54.23 1wyg s TYR 1140Cb 0.00 -1.28 -0.01 0.00 0.35 0.00 0.00 41.96 41.02 1wyg s TYR 1140CO 0.00 -0.02 -0.09 0.45 -1.34 0.00 0.00 175.55 174.54 1wyg s SER 1141N -0.57 4.12 0.04 4.32 0.15 -0.32 -4.99 113.70 116.45 1wyg s SER 1141Ca 0.09 -0.36 -0.17 0.00 0.70 0.00 0.00 55.95 56.21 1wyg s SER 1141Cb -0.09 -1.67 -0.23 0.00 -1.71 0.00 0.00 66.02 62.33 1wyg s SER 1141CO -0.01 0.08 1.15 -0.26 1.20 0.00 0.00 173.24 175.41 1wyg h PHE 1142N 7.36 0.82 -0.46 3.44 -1.00 -1.94 0.29 116.94 125.45 1wyg h PHE 1142Ca -0.34 -0.44 0.13 0.00 2.81 0.00 0.00 57.97 60.14 1wyg h PHE 1142Cb 1.18 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.63 1wyg h PHE 1142CO 0.54 1.26 0.48 1.49 -1.61 0.00 0.00 178.31 180.46 1wyg h GLU 1143N 0.15 0.00 0.00 1.51 4.57 -1.94 -2.50 114.58 116.37 1wyg h GLU 1143Ca -0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1wyg h GLU 1143Cb 1.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.06 1wyg h GLU 1143CO 0.16 0.00 0.00 0.25 -1.18 0.00 0.00 179.01 178.24 1wyg n THR 1144N -3.74 0.24 -4.03 0.32 -2.24 -1.21 -5.04 114.28 98.58 1wyg n THR 1144Ca 0.08 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 1wyg n THR 1144Cb 0.66 1.14 0.01 0.00 -2.10 0.00 0.00 70.33 70.05 1wyg n THR 1144CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1wyg n ASN 1145N -0.12 -3.66 -3.75 3.42 5.15 0.10 -4.96 115.26 111.44 1wyg n ASN 1145Ca 0.00 -1.24 -0.10 0.00 -0.60 0.00 0.00 54.58 52.64 1wyg n ASN 1145Cb 0.25 -2.03 -0.05 0.00 -0.53 0.00 0.00 39.78 37.42 1wyg n ASN 1145CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1wyg s SER 1146N -3.64 -0.12 0.00 1.20 1.04 -1.13 -4.56 113.70 106.48 1wyg s SER 1146Ca 0.42 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1wyg s SER 1146Cb -0.22 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1wyg s SER 1146CO 0.95 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1wyg n GLY 1147N -0.21 -0.46 3.66 7.32 0.00 -1.26 -1.17 105.19 113.07 1wyg n GLY 1147Ca -0.13 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 1wyg n GLY 1147CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wyg s ASN 1148N -0.24 6.77 -0.02 1.61 0.01 -1.19 -4.04 114.94 117.85 1wyg s ASN 1148Ca 0.00 2.03 0.16 0.00 -0.71 0.00 0.00 52.86 54.34 1wyg s ASN 1148Cb 0.00 -2.54 0.50 0.00 0.41 0.00 0.00 41.25 39.62 1wyg s ASN 1148CO 0.00 -0.86 1.40 -0.81 -1.51 0.00 0.00 177.10 175.32 1wyg n PRO 1149N 6.91 2.42 -3.95 -0.60 -0.04 -1.26 -0.95 135.00 137.53 1wyg n PRO 1149Ca 0.16 -2.01 -0.10 0.00 -0.04 0.00 0.00 63.50 61.52 1wyg n PRO 1149Cb 0.44 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 1wyg n PRO 1149CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1wyg s PHE 1150N -1.37 0.20 0.03 0.54 0.40 -1.26 -4.74 117.98 111.78 1wyg s PHE 1150Ca 0.37 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 56.18 1wyg s PHE 1150Cb 0.20 -0.15 -0.33 0.00 0.51 0.00 0.00 43.02 43.26 1wyg s PHE 1150CO 0.24 -0.16 0.99 1.25 0.70 0.00 0.00 175.22 178.23 1wyg h HIS 1151N 4.91 0.80 -2.41 0.36 -0.00 -1.52 -3.48 115.15 113.81 1wyg h HIS 1151Ca -0.30 -0.59 0.08 0.00 -0.00 0.00 0.00 60.37 59.56 1wyg h HIS 1151Cb 1.21 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.57 1wyg h HIS 1151CO 0.61 1.50 0.36 2.48 -0.00 0.00 0.00 177.93 182.88 1wyg n TYR 1152N -3.64 -1.39 -4.98 5.26 4.11 -1.24 -5.04 117.16 110.24 1wyg n TYR 1152Ca -0.16 -1.04 -0.27 0.00 -0.00 0.00 0.00 57.90 56.43 1wyg n TYR 1152Cb 1.08 0.51 -0.16 0.00 -0.00 0.00 0.00 39.34 40.78 1wyg n TYR 1152CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 1wyg s PHE 1153N -3.43 1.83 0.19 -3.48 0.40 -1.26 -0.68 117.98 111.55 1wyg s PHE 1153Ca 0.15 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 55.92 1wyg s PHE 1153Cb -0.02 -1.19 -0.08 0.00 0.51 0.00 0.00 43.02 42.24 1wyg s PHE 1153CO 0.05 -0.07 0.63 0.45 0.70 0.00 0.00 175.22 176.99 1wyg s SER 1154N -0.37 6.93 0.02 1.36 0.15 0.39 -4.91 113.70 117.26 1wyg s SER 1154Ca 0.05 1.23 0.01 0.00 0.70 0.00 0.00 55.95 57.95 1wyg s SER 1154Cb -0.09 -2.35 -0.01 0.00 -1.71 0.00 0.00 66.02 61.86 1wyg s SER 1154CO -0.00 0.06 -0.05 -0.31 1.20 0.00 0.00 173.24 174.14 1wyg s TYR 1155N -1.51 0.46 -0.13 3.44 4.12 -1.26 -1.13 117.35 121.34 1wyg s TYR 1155Ca 0.41 -0.29 -0.33 0.00 0.02 0.00 0.00 57.07 56.88 1wyg s TYR 1155Cb -0.16 -0.29 0.13 0.00 -1.52 0.00 0.00 41.96 40.13 1wyg s TYR 1155CO 0.20 -0.06 1.16 0.20 0.02 0.00 0.00 175.55 177.07 1wyg s GLY 1156N -0.82 -0.33 -0.02 0.71 0.00 -1.21 -0.14 107.32 105.51 1wyg s GLY 1156Ca -0.05 1.37 0.01 0.00 0.00 0.00 0.00 44.72 46.05 1wyg s GLY 1156CO -0.00 0.44 -0.01 0.14 0.00 0.00 0.00 173.10 173.68 1wyg s VAL 1157N -2.55 0.18 -0.02 1.40 1.01 -0.99 -1.27 120.40 118.17 1wyg s VAL 1157Ca 0.09 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.19 1wyg s VAL 1157Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 1wyg s VAL 1157CO -0.05 0.13 -0.26 0.00 0.00 0.00 0.00 175.10 174.92 1wyg s ALA 1158N 0.78 2.18 -0.47 5.51 0.00 -0.59 -2.15 121.76 127.03 1wyg s ALA 1158Ca -0.08 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.79 1wyg s ALA 1158Cb -0.11 -0.56 0.14 0.00 0.00 0.00 0.00 23.12 22.58 1wyg s ALA 1158CO -0.01 0.53 0.26 0.00 0.00 0.00 0.00 175.76 176.54 1wyg s SER 1160N 0.08 6.43 -0.05 0.00 0.01 -0.96 -2.35 113.70 116.86 1wyg s SER 1160Ca 0.18 0.52 0.02 0.00 1.31 0.00 0.00 55.95 57.98 1wyg s SER 1160Cb -0.23 -2.06 0.01 0.00 0.21 0.00 0.00 66.02 63.95 1wyg s SER 1160CO -0.01 -0.04 -0.09 -0.70 0.41 0.00 0.00 173.24 172.81 1wyg s GLU 1161N -3.14 1.21 0.46 12.44 2.12 0.76 -1.79 118.70 130.76 1wyg s GLU 1161Ca 0.40 -0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.48 1wyg s GLU 1161Cb -0.11 -1.08 -0.01 0.00 0.26 0.00 0.00 34.13 33.19 1wyg s GLU 1161CO 0.28 0.01 0.08 1.33 -0.54 0.00 0.00 175.26 176.42 1wyg n VAL 1162N 3.76 0.00 -3.19 3.70 0.24 -0.53 -0.36 118.33 121.95 1wyg n VAL 1162Ca -0.23 -2.41 0.00 0.00 -2.04 0.00 0.00 64.34 59.66 1wyg n VAL 1162Cb 0.52 0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 33.55 1wyg n VAL 1162CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1wyg s GLU 1163N -3.70 0.53 0.72 7.34 2.12 -1.13 -2.39 118.70 122.19 1wyg s GLU 1163Ca 0.11 0.41 -0.10 0.00 0.36 0.00 0.00 54.97 55.74 1wyg s GLU 1163Cb 0.01 0.09 0.04 0.00 0.26 0.00 0.00 34.13 34.53 1wyg s GLU 1163CO 0.08 -1.05 1.09 0.96 -0.54 0.00 0.00 175.26 175.79 1wyg s ILE 1164N 2.72 2.90 -0.46 -3.70 -4.36 0.15 -2.68 121.20 115.78 1wyg s ILE 1164Ca 0.10 0.18 -0.01 0.00 -0.26 0.00 0.00 60.65 60.66 1wyg s ILE 1164Cb -0.10 -3.27 0.12 0.00 1.25 0.00 0.00 42.46 40.46 1wyg s ILE 1164CO -0.26 -0.34 0.23 -0.62 0.24 0.00 0.00 174.94 174.19 1wyg s ASP 1165N -4.44 5.06 0.56 4.36 -1.08 -0.14 -2.90 116.67 118.09 1wyg s ASP 1165Ca 0.59 -2.34 0.24 0.00 -0.52 0.00 0.00 52.55 50.51 1wyg s ASP 1165Cb -0.11 -1.78 1.28 0.00 -1.46 0.00 0.00 42.92 40.86 1wyg s ASP 1165CO 0.49 -0.44 1.69 0.00 0.52 0.00 0.00 175.17 177.43 1wyg n LEU 1167N -2.61 0.65 0.00 0.00 4.77 -1.26 -4.64 117.00 113.91 1wyg n LEU 1167Ca -0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1wyg n LEU 1167Cb 0.38 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1wyg n LEU 1167CO 0.10 -0.04 -0.31 0.35 -1.33 0.00 0.00 177.39 176.17 1wyg n THR 1168N -2.19 0.00 0.00 -5.08 -2.24 -0.36 -4.77 114.28 99.65 1wyg n THR 1168Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1wyg n THR 1168Cb 0.47 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1wyg n THR 1168CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wyg n GLY 1169N 1.84 2.72 3.73 3.38 0.00 -0.31 -4.70 105.19 111.85 1wyg n GLY 1169Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1wyg n GLY 1169CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wyg s ASP 1170N -0.12 4.08 0.20 1.61 2.15 -1.26 -4.44 116.67 118.90 1wyg s ASP 1170Ca 0.00 2.17 -0.04 0.00 0.43 0.00 0.00 52.55 55.11 1wyg s ASP 1170Cb 0.00 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 40.07 1wyg s ASP 1170CO 0.00 -2.33 0.34 0.00 -0.17 0.00 0.00 175.17 173.01 1wyg n HIS 1171N -3.16 -1.31 -3.66 -5.34 1.44 -1.26 -0.97 115.22 100.96 1wyg n HIS 1171Ca 0.12 -1.17 -0.06 0.00 -2.01 0.00 0.00 57.72 54.60 1wyg n HIS 1171Cb 0.51 0.39 -0.07 0.00 0.12 0.00 0.00 29.99 30.94 1wyg n HIS 1171CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1wyg s LYS 1172N -2.27 0.44 -0.36 -1.40 -2.85 -1.09 -4.99 119.74 107.22 1wyg s LYS 1172Ca 0.13 1.18 -0.28 0.00 -1.00 0.00 0.00 55.97 56.00 1wyg s LYS 1172Cb -0.01 0.49 -0.02 0.00 -2.06 0.00 0.00 37.83 36.23 1wyg s LYS 1172CO 0.09 -0.22 1.79 -0.80 0.10 0.00 0.00 175.35 176.31 1wyg s ASN 1173N 2.58 5.84 0.08 0.03 -0.87 -1.26 -2.82 114.94 118.52 1wyg s ASN 1173Ca -0.04 1.18 -0.02 0.00 -1.57 0.00 0.00 52.86 52.40 1wyg s ASN 1173Cb -0.11 -2.53 -0.27 0.00 -0.02 0.00 0.00 41.25 38.32 1wyg s ASN 1173CO -0.15 -1.77 1.17 -0.07 -2.57 0.00 0.00 177.10 173.70 1wyg h LEU 1174N 13.94 0.34 -7.00 0.60 3.38 -1.01 -2.10 115.31 123.45 1wyg h LEU 1174Ca -0.32 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.34 1wyg h LEU 1174Cb 1.17 -0.11 -0.23 0.00 0.09 0.00 0.00 40.66 41.57 1wyg h LEU 1174CO 1.05 1.28 0.47 -0.60 0.09 0.00 0.00 178.44 180.73 1wyg s ARG 1175N -2.67 0.63 0.02 1.13 3.52 -1.08 -2.65 118.95 117.85 1wyg s ARG 1175Ca -0.03 0.32 0.01 0.00 -0.13 0.00 0.00 55.73 55.89 1wyg s ARG 1175Cb 0.08 0.30 -0.02 0.00 -1.56 0.00 0.00 34.95 33.75 1wyg s ARG 1175CO 0.87 -0.16 -0.04 0.99 -0.81 0.00 0.00 175.30 176.15 1wyg s THR 1176N -0.68 0.23 -0.05 4.11 2.01 -0.14 -0.17 115.64 120.95 1wyg s THR 1176Ca -0.01 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 61.29 1wyg s THR 1176Cb -0.02 -0.31 0.03 0.00 0.01 0.00 0.00 72.50 72.21 1wyg s THR 1176CO 0.00 -0.30 -0.01 -1.81 -0.69 0.00 0.00 174.62 171.81 1wyg s ASP 1177N -1.06 1.15 0.09 3.53 1.01 -0.99 -1.77 116.67 118.64 1wyg s ASP 1177Ca -0.09 -0.09 0.08 0.00 0.71 0.00 0.00 52.55 53.16 1wyg s ASP 1177Cb -0.07 -0.40 -0.03 0.00 1.01 0.00 0.00 42.92 43.43 1wyg s ASP 1177CO -0.00 -0.13 -0.21 -0.63 0.21 0.00 0.00 175.17 174.41 1wyg s ILE 1178N 1.44 1.71 -0.27 0.77 1.01 0.14 -0.15 121.20 125.85 1wyg s ILE 1178Ca -0.03 -1.50 -0.03 0.00 0.00 0.00 0.00 60.65 59.09 1wyg s ILE 1178Cb -0.13 -1.54 0.10 0.00 0.01 0.00 0.00 42.46 40.90 1wyg s ILE 1178CO -0.03 -0.02 0.17 -0.69 0.00 0.00 0.00 174.94 174.37 1wyg s VAL 1179N -1.11 -0.17 0.03 2.92 1.01 -0.91 -1.09 120.40 121.08 1wyg s VAL 1179Ca 0.07 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1wyg s VAL 1179Cb -0.10 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1wyg s VAL 1179CO 0.04 -0.60 0.02 -0.32 0.00 0.00 0.00 175.10 174.25 1wyg s MET 1180N 2.18 2.78 -0.51 2.72 0.00 0.36 -2.36 119.30 124.47 1wyg s MET 1180Ca 0.08 -0.66 -0.15 0.00 0.00 0.00 0.00 55.69 54.96 1wyg s MET 1180Cb -0.15 -2.67 0.11 0.00 0.00 0.00 0.00 34.83 32.11 1wyg s MET 1180CO -0.32 0.60 0.44 0.34 0.00 0.00 0.00 175.02 176.08 1wyg s ASP 1181N -1.88 6.13 -0.25 1.11 2.15 0.80 0.56 116.67 125.28 1wyg s ASP 1181Ca 0.23 -1.62 0.10 0.00 0.43 0.00 0.00 52.55 51.69 1wyg s ASP 1181Cb -0.12 -2.18 0.45 0.00 -0.30 0.00 0.00 42.92 40.77 1wyg s ASP 1181CO 0.14 -0.76 1.30 1.33 -0.17 0.00 0.00 175.17 177.01 1wyg n VAL 1182N 5.20 2.37 -1.64 1.11 0.24 -1.26 -4.14 118.33 120.21 1wyg n VAL 1182Ca -0.13 -3.25 0.00 0.00 -2.04 0.00 0.00 64.34 58.92 1wyg n VAL 1182Cb 0.41 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 1wyg n VAL 1182CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wyg n GLY 1183N -1.06 1.04 3.54 7.63 0.00 -1.25 -3.00 105.19 112.08 1wyg n GLY 1183Ca 0.27 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1wyg n GLY 1183CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyg s SER 1184N -4.00 6.35 0.11 1.61 0.01 0.25 -4.79 113.70 113.25 1wyg s SER 1184Ca 0.00 -1.09 -0.35 0.00 1.31 0.00 0.00 55.95 55.82 1wyg s SER 1184Cb 0.00 -2.53 -0.17 0.00 0.21 0.00 0.00 66.02 63.53 1wyg s SER 1184CO 0.00 -1.58 1.15 -0.24 0.41 0.00 0.00 173.24 172.98 1wyg n SER 1185N 8.73 0.97 -0.01 2.44 2.88 -1.16 -3.82 113.62 123.65 1wyg n SER 1185Ca 0.17 1.14 -0.11 0.00 -1.33 0.00 0.00 58.87 58.75 1wyg n SER 1185Cb 0.50 -1.13 0.03 0.00 -0.75 0.00 0.00 64.21 62.86 1wyg n SER 1185CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1wyg h LEU 1186N 3.48 0.70 -6.51 2.46 3.38 -1.91 -3.22 115.31 113.69 1wyg h LEU 1186Ca -0.45 -0.37 -0.34 0.00 0.09 0.00 0.00 57.88 56.80 1wyg h LEU 1186Cb 1.37 -0.20 -0.33 0.00 0.09 0.00 0.00 40.66 41.58 1wyg h LEU 1186CO 0.70 1.10 -0.65 0.21 0.09 0.00 0.00 178.44 179.90 1wyg s ASN 1187N -6.93 1.74 0.17 -0.43 3.84 -1.26 0.14 114.94 112.21 1wyg s ASN 1187Ca -0.08 -0.85 -0.25 0.00 0.21 0.00 0.00 52.86 51.88 1wyg s ASN 1187Cb 0.11 0.46 0.04 0.00 -0.55 0.00 0.00 41.25 41.31 1wyg s ASN 1187CO 0.85 -0.38 1.57 -0.65 -2.79 0.00 0.00 177.10 175.70 1wyg h PRO 1188N 8.18 -0.23 -0.76 0.43 0.11 -1.80 -0.76 132.00 137.16 1wyg h PRO 1188Ca -0.12 0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.08 1wyg h PRO 1188Cb 1.07 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 1wyg h PRO 1188CO 0.33 -0.16 0.43 0.00 -0.21 0.00 0.00 178.00 178.39 1wyg h ALA 1189N 0.61 1.05 -0.04 -0.75 0.00 -1.88 -0.16 119.26 118.10 1wyg h ALA 1189Ca 0.17 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wyg h ALA 1189Cb 0.57 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1wyg h ALA 1189CO -0.66 0.08 0.00 0.82 0.00 0.00 0.00 179.25 179.50 1wyg h ILE 1190N 0.75 1.22 -0.00 0.00 1.08 -1.62 -1.96 117.51 116.98 1wyg h ILE 1190Ca 0.35 -0.66 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 1wyg h ILE 1190Cb 0.28 1.60 -0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1wyg h ILE 1190CO -0.22 0.18 0.00 0.44 -0.69 0.00 0.00 178.15 177.86 1wyg h ASP 1191N -0.20 0.00 -0.88 1.72 3.32 -0.88 -0.62 116.42 118.89 1wyg h ASP 1191Ca 0.01 -0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.12 1wyg h ASP 1191Cb 0.28 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 1wyg h ASP 1191CO 0.00 0.04 0.57 0.40 -1.72 0.00 0.00 179.24 178.52 1wyg h ILE 1192N -0.03 0.99 0.00 0.35 2.04 -1.07 0.53 117.51 120.32 1wyg h ILE 1192Ca 0.00 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1wyg h ILE 1192Cb 0.03 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1wyg h ILE 1192CO -0.00 0.16 -0.09 1.23 0.00 0.00 0.00 178.15 179.45 1wyg h GLY 1193N 0.89 0.00 1.39 5.37 0.00 -0.74 -0.96 103.07 109.01 1wyg h GLY 1193Ca 0.40 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.44 1wyg h GLY 1193CO -0.16 0.00 -1.42 1.46 0.00 0.00 0.00 176.54 176.42 1wyg h GLN 1194N 0.00 0.19 0.30 4.80 1.08 0.14 -2.46 115.11 119.16 1wyg h GLN 1194Ca -0.00 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 56.85 1wyg h GLN 1194Cb 0.60 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1wyg h GLN 1194CO 0.01 1.06 -0.14 0.28 -0.95 0.00 0.00 178.83 179.09 1wyg h VAL 1195N 0.05 0.73 -0.43 -0.54 2.07 -0.16 0.54 116.25 118.52 1wyg h VAL 1195Ca -0.19 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 66.90 1wyg h VAL 1195Cb 1.97 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 1wyg h VAL 1195CO 0.16 0.09 0.21 -0.33 0.02 0.00 0.00 177.57 177.72 1wyg h GLU 1196N -0.66 0.41 -0.39 1.57 5.08 -1.30 -0.60 114.58 118.70 1wyg h GLU 1196Ca -0.04 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1wyg h GLU 1196Cb 0.46 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1wyg h GLU 1196CO 0.07 0.27 0.16 0.78 -1.00 0.00 0.00 179.01 179.29 1wyg h GLY 1197N 0.42 0.61 1.00 -3.84 0.00 -1.40 -1.06 103.07 98.80 1wyg h GLY 1197Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1wyg h GLY 1197CO -0.13 0.31 0.03 0.00 0.00 0.00 0.00 176.54 176.74 1wyg h ALA 1198N 1.01 0.06 -0.17 3.60 0.00 -0.67 -1.98 119.26 121.10 1wyg h ALA 1198Ca 0.13 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1wyg h ALA 1198Cb 0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1wyg h ALA 1198CO -0.01 -0.45 -0.24 0.35 0.00 0.00 0.00 179.25 178.89 1wyg h PHE 1199N 0.06 -0.65 0.00 0.00 3.57 -0.93 0.11 116.94 119.10 1wyg h PHE 1199Ca 0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1wyg h PHE 1199Cb -0.01 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1wyg h PHE 1199CO -0.08 -0.32 -0.02 0.28 -2.23 0.00 0.00 178.31 175.94 1wyg h VAL 1200N -0.29 0.22 0.08 1.41 2.07 -1.03 0.35 116.25 119.06 1wyg h VAL 1200Ca 0.11 -0.16 -0.27 0.00 0.82 0.00 0.00 66.70 67.20 1wyg h VAL 1200Cb 0.46 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1wyg h VAL 1200CO -0.34 0.02 -1.14 1.56 0.02 0.00 0.00 177.57 177.69 1wyg h GLN 1201N 0.00 0.47 0.06 1.57 4.20 -0.10 -2.91 115.11 118.39 1wyg h GLN 1201Ca -0.00 -0.61 -0.00 0.00 0.06 0.00 0.00 58.65 58.09 1wyg h GLN 1201Cb 0.13 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1wyg h GLN 1201CO 0.00 1.25 -0.03 0.78 -0.67 0.00 0.00 178.83 180.16 1wyg h GLY 1202N 0.93 -0.08 0.17 3.46 0.00 0.83 -2.26 103.07 106.11 1wyg h GLY 1202Ca -0.14 0.03 0.26 0.00 0.00 0.00 0.00 47.33 47.49 1wyg h GLY 1202CO 0.20 -0.03 0.66 0.17 0.00 0.00 0.00 176.54 177.54 1wyg h LEU 1203N -0.46 0.00 0.03 3.11 8.10 -0.45 0.47 115.31 126.11 1wyg h LEU 1203Ca -0.01 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.75 1wyg h LEU 1203Cb 0.40 -0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.61 1wyg h LEU 1203CO 0.01 0.00 -1.09 1.23 -4.11 0.00 0.00 178.44 174.48 1wyg h GLY 1204N 0.00 0.15 1.07 0.17 0.00 -1.29 -2.40 103.07 100.77 1wyg h GLY 1204Ca 0.43 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.31 1wyg h GLY 1204CO -0.01 0.32 0.02 -2.00 0.00 0.00 0.00 176.54 174.87 1wyg h LEU 1205N 0.04 1.03 0.00 3.11 5.85 0.46 0.16 115.31 125.96 1wyg h LEU 1205Ca -0.06 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1wyg h LEU 1205Cb 1.83 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1wyg h LEU 1205CO 0.16 1.07 -0.51 0.49 -0.34 0.00 0.00 178.44 179.31 1wyg n PHE 1206N -4.21 0.18 -1.35 1.25 3.72 -0.40 -4.23 117.46 112.41 1wyg n PHE 1206Ca 0.03 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1wyg n PHE 1206Cb 0.33 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 1wyg n PHE 1206CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1wyg n THR 1207N -1.71 0.00 0.00 4.37 -2.24 -0.90 0.75 114.28 114.55 1wyg n THR 1207Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1wyg n THR 1207Cb 0.37 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1wyg n THR 1207CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1wyg n MET 1208N 0.00 0.00 -2.82 -0.78 2.81 -0.64 -4.18 117.12 111.51 1wyg n MET 1208Ca 0.00 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.47 1wyg n MET 1208Cb 0.28 -0.51 -0.04 0.00 -0.71 0.00 0.00 33.22 32.24 1wyg n MET 1208CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1wyg s GLU 1209N -1.12 4.21 -0.01 0.03 2.02 0.47 -4.52 118.70 119.79 1wyg s GLU 1209Ca 0.00 1.07 0.01 0.00 0.02 0.00 0.00 54.97 56.07 1wyg s GLU 1209Cb 0.00 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.59 1wyg s GLU 1209CO 0.00 -0.54 -0.03 -2.00 0.02 0.00 0.00 175.26 172.71 1wyg s GLU 1210N 2.92 0.29 -0.11 1.61 2.12 -1.26 -4.71 118.70 119.56 1wyg s GLU 1210Ca 0.38 -0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.63 1wyg s GLU 1210Cb -0.15 -0.32 -0.02 0.00 0.26 0.00 0.00 34.13 33.90 1wyg s GLU 1210CO 0.07 0.03 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.18 1wyg s LEU 1211N 0.16 2.76 -0.15 2.70 1.43 -1.26 -4.81 118.68 119.51 1wyg s LEU 1211Ca -0.01 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1wyg s LEU 1211Cb -0.04 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1wyg s LEU 1211CO -0.00 0.22 -0.15 -1.00 0.23 0.00 0.00 176.35 175.65 1wyg s HIS 1212N 0.05 2.78 -0.01 0.29 3.76 -1.26 -4.97 115.29 115.93 1wyg s HIS 1212Ca -0.05 -0.90 0.06 0.00 -0.15 0.00 0.00 55.06 54.03 1wyg s HIS 1212Cb -0.14 -1.87 -0.03 0.00 1.11 0.00 0.00 32.58 31.65 1wyg s HIS 1212CO 0.04 -0.38 -0.19 0.71 -0.85 0.00 0.00 174.74 174.07 1wyg s TYR 1213N 0.65 2.55 1.12 1.40 1.51 -1.26 -0.40 117.35 122.91 1wyg s TYR 1213Ca -0.08 -0.27 -0.13 0.00 -1.01 0.00 0.00 57.07 55.59 1wyg s TYR 1213Cb -0.16 -1.54 0.26 0.00 -0.11 0.00 0.00 41.96 40.41 1wyg s TYR 1213CO 0.02 0.15 1.05 -1.54 -1.11 0.00 0.00 175.55 174.12 1wyg s SER 1214N -0.92 1.46 0.55 2.29 1.04 0.16 -2.77 113.70 115.51 1wyg s SER 1214Ca 0.12 1.40 0.23 0.00 0.48 0.00 0.00 55.95 58.18 1wyg s SER 1214Cb -0.10 -2.15 1.54 0.00 0.10 0.00 0.00 66.02 65.41 1wyg s SER 1214CO 0.02 -3.89 2.19 -0.65 0.98 0.00 0.00 173.24 171.89 1wyg h PRO 1215N -2.41 0.00 -0.24 4.02 0.11 -1.74 -1.82 132.00 129.91 1wyg h PRO 1215Ca -0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1wyg h PRO 1215Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1wyg h PRO 1215CO 0.53 0.01 0.00 0.39 -0.21 0.00 0.00 178.00 178.72 1wyg n GLU 1216N -4.16 1.65 -0.75 1.05 4.71 -1.26 -4.92 120.64 116.96 1wyg n GLU 1216Ca -0.03 -1.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.12 1wyg n GLU 1216Cb 0.10 -1.27 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 1wyg n GLU 1216CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1wyg n GLY 1217N 0.99 0.58 3.73 0.62 0.00 -0.69 -4.30 105.19 106.13 1wyg n GLY 1217Ca 0.12 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 1wyg n GLY 1217CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wyg s SER 1218N -2.40 6.33 0.27 1.61 0.15 -1.26 -4.42 113.70 113.98 1wyg s SER 1218Ca 0.00 0.38 -0.29 0.00 0.70 0.00 0.00 55.95 56.74 1wyg s SER 1218Cb 0.00 -2.14 -0.10 0.00 -1.71 0.00 0.00 66.02 62.08 1wyg s SER 1218CO 0.00 0.14 1.25 -0.22 1.20 0.00 0.00 173.24 175.61 1wyg s LEU 1219N 0.38 4.46 -0.24 3.45 2.96 -1.26 0.40 118.68 128.83 1wyg s LEU 1219Ca 0.13 2.48 -0.06 0.00 -0.22 0.00 0.00 54.13 56.45 1wyg s LEU 1219Cb -0.12 -3.63 -0.12 0.00 0.50 0.00 0.00 46.19 42.82 1wyg s LEU 1219CO 0.01 -0.42 -0.27 1.41 -1.32 0.00 0.00 176.35 175.76 1wyg n HIS 1220N 1.50 0.00 -2.51 5.38 8.25 0.46 -4.87 115.22 123.43 1wyg n HIS 1220Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 1wyg n HIS 1220Cb 0.43 -0.87 -0.03 0.00 1.12 0.00 0.00 29.99 30.64 1wyg n HIS 1220CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1wyg s THR 1221N -2.45 3.75 0.00 1.59 -4.23 -1.23 -4.82 115.64 108.25 1wyg s THR 1221Ca -0.33 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1wyg s THR 1221Cb 0.11 -4.79 0.00 0.00 1.34 0.00 0.00 72.50 69.16 1wyg s THR 1221CO 0.47 -1.66 0.84 0.54 -0.54 0.00 0.00 174.62 174.26 1wyg n ARG 1222N 9.16 1.87 -4.01 3.99 1.74 -1.26 -4.89 116.66 123.25 1wyg n ARG 1222Ca 0.06 -1.18 -0.11 0.00 -0.77 0.00 0.00 57.85 55.84 1wyg n ARG 1222Cb 0.49 -0.96 -0.04 0.00 -1.02 0.00 0.00 32.46 30.93 1wyg n ARG 1222CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1wyg s GLY 1223N -0.70 0.83 0.03 -0.13 0.00 -1.26 -3.09 107.32 103.00 1wyg s GLY 1223Ca 0.00 -1.08 0.12 0.00 0.00 0.00 0.00 44.72 43.76 1wyg s GLY 1223CO 0.00 -0.72 1.36 -1.55 0.00 0.00 0.00 173.10 172.19 1wyg n PRO 1224N -0.45 0.02 0.04 2.90 -0.04 -1.26 -0.82 135.00 135.39 1wyg n PRO 1224Ca -0.01 0.35 -0.06 0.00 -0.04 0.00 0.00 63.50 63.74 1wyg n PRO 1224Cb 0.62 -1.55 0.13 0.00 -0.04 0.00 0.00 33.50 32.65 1wyg n PRO 1224CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wyg h SER 1225N 0.00 0.46 0.00 3.54 4.64 -1.94 -3.30 113.55 116.95 1wyg h SER 1225Ca 0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1wyg h SER 1225Cb 0.18 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1wyg h SER 1225CO 0.00 0.86 -1.09 0.35 -0.87 0.00 0.00 176.83 176.08 1wyg n THR 1226N -3.99 0.00 -3.68 2.95 -2.24 -0.99 -4.40 114.28 101.93 1wyg n THR 1226Ca -0.02 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.14 1wyg n THR 1226Cb 0.54 0.53 -0.12 0.00 -2.10 0.00 0.00 70.33 69.18 1wyg n THR 1226CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1wyg s TYR 1227N -2.39 3.18 -0.44 4.78 5.04 -0.00 -4.88 117.35 122.65 1wyg s TYR 1227Ca -0.01 -0.75 -0.09 0.00 -2.44 0.00 0.00 57.07 53.78 1wyg s TYR 1227Cb 0.06 -2.34 0.10 0.00 0.35 0.00 0.00 41.96 40.13 1wyg s TYR 1227CO 0.39 -0.52 0.29 0.15 -1.34 0.00 0.00 175.55 174.52 1wyg s LYS 1228N 1.57 2.49 0.44 4.97 -0.14 -1.26 -4.28 119.74 123.54 1wyg s LYS 1228Ca 0.04 -1.64 -0.04 0.00 -1.36 0.00 0.00 55.97 52.97 1wyg s LYS 1228Cb -0.17 -3.83 -0.04 0.00 -1.68 0.00 0.00 37.83 32.11 1wyg s LYS 1228CO 0.05 -1.08 0.72 0.96 -0.76 0.00 0.00 175.35 175.24 1wyg s ILE 1229N 1.37 4.96 0.12 2.17 -4.36 -1.26 -3.80 121.20 120.40 1wyg s ILE 1229Ca 0.05 0.00 -0.34 0.00 -0.26 0.00 0.00 60.65 60.10 1wyg s ILE 1229Cb -0.25 -3.86 -0.17 0.00 1.25 0.00 0.00 42.46 39.43 1wyg s ILE 1229CO 0.00 -0.76 0.98 -2.65 0.24 0.00 0.00 174.94 172.74 1wyg n PRO 1230N -2.13 0.51 -1.95 0.37 -0.02 -1.26 -4.97 135.00 125.56 1wyg n PRO 1230Ca -0.01 0.18 -0.06 0.00 -2.02 0.00 0.00 63.50 61.59 1wyg n PRO 1230Cb 0.55 -1.56 0.01 0.00 -0.02 0.00 0.00 33.50 32.48 1wyg n PRO 1230CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wyg n ALA 1231N 1.13 0.26 -0.12 3.55 0.00 -1.26 -4.73 120.51 119.34 1wyg n ALA 1231Ca 0.17 -0.58 -0.09 0.00 0.00 0.00 0.00 53.44 52.94 1wyg n ALA 1231Cb 0.19 0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 1wyg n ALA 1231CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1wyg h PHE 1232N 0.39 0.55 -0.00 0.00 -1.00 -1.84 -2.82 116.94 112.22 1wyg h PHE 1232Ca -0.09 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.65 1wyg h PHE 1232Cb 0.34 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1wyg h PHE 1232CO 0.00 0.50 0.00 0.41 -1.61 0.00 0.00 178.31 177.61 1wyg n GLY 1233N -0.77 -0.97 0.98 -1.45 0.00 -1.26 -3.66 105.19 98.05 1wyg n GLY 1233Ca -0.01 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.87 1wyg n GLY 1233CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wyg n SER 1234N -0.97 2.82 -4.66 1.61 7.64 -1.06 -4.92 113.62 114.09 1wyg n SER 1234Ca 0.24 -2.15 -0.29 0.00 1.01 0.00 0.00 58.87 57.67 1wyg n SER 1234Cb 0.12 -0.39 -0.08 0.00 -1.01 0.00 0.00 64.21 62.85 1wyg n SER 1234CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1wyg s ILE 1235N -1.58 3.80 -0.42 0.44 -4.36 -1.24 -4.83 121.20 113.00 1wyg s ILE 1235Ca 0.31 -1.17 -0.46 0.00 -0.26 0.00 0.00 60.65 59.07 1wyg s ILE 1235Cb 0.18 -2.83 -0.20 0.00 1.25 0.00 0.00 42.46 40.86 1wyg s ILE 1235CO 0.18 0.05 1.52 -2.65 0.24 0.00 0.00 174.94 174.27 1wyg n PRO 1236N 0.39 0.00 0.32 0.37 -0.02 -1.26 -4.74 135.00 130.06 1wyg n PRO 1236Ca -0.11 0.00 0.20 0.00 -2.02 0.00 0.00 63.50 61.57 1wyg n PRO 1236Cb 0.53 -1.50 1.08 0.00 -0.02 0.00 0.00 33.50 33.59 1wyg n PRO 1236CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1wyg h ILE 1237N 4.69 0.12 -3.00 4.25 2.04 -1.42 -3.26 117.51 120.93 1wyg h ILE 1237Ca -0.45 -0.10 -0.60 0.00 1.00 0.00 0.00 64.86 64.71 1wyg h ILE 1237Cb 1.38 1.09 -0.40 0.00 -0.74 0.00 0.00 36.82 38.14 1wyg h ILE 1237CO 0.93 0.01 -0.75 -0.70 0.00 0.00 0.00 178.15 177.63 1wyg s GLU 1238N -4.17 1.04 -0.29 2.37 2.12 -1.09 -2.16 118.70 116.52 1wyg s GLU 1238Ca -0.04 -1.65 -0.16 0.00 0.36 0.00 0.00 54.97 53.48 1wyg s GLU 1238Cb 0.13 -2.13 -0.03 0.00 0.26 0.00 0.00 34.13 32.36 1wyg s GLU 1238CO 0.46 -1.11 0.42 0.12 -0.54 0.00 0.00 175.26 174.61 1wyg s PHE 1239N 0.82 3.23 -0.15 5.30 2.19 -1.23 -0.96 117.98 127.18 1wyg s PHE 1239Ca 0.15 0.36 0.00 0.00 0.33 0.00 0.00 56.93 57.78 1wyg s PHE 1239Cb -0.22 -2.67 0.03 0.00 -1.31 0.00 0.00 43.02 38.85 1wyg s PHE 1239CO -0.07 -0.31 -0.10 1.03 1.83 0.00 0.00 175.22 177.59 1wyg s ARG 1240N 2.16 1.92 -0.03 10.12 0.52 -0.73 -1.37 118.95 131.55 1wyg s ARG 1240Ca 0.16 -0.55 0.06 0.00 -0.52 0.00 0.00 55.73 54.89 1wyg s ARG 1240Cb -0.16 -2.05 -0.01 0.00 0.52 0.00 0.00 34.95 33.25 1wyg s ARG 1240CO 0.11 -0.32 -0.22 0.08 0.02 0.00 0.00 175.30 174.96 1wyg s VAL 1241N 1.54 1.80 -0.01 3.52 1.01 -0.28 0.28 120.40 128.26 1wyg s VAL 1241Ca 0.03 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 1wyg s VAL 1241Cb -0.14 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1wyg s VAL 1241CO -0.09 0.51 0.02 -0.44 0.00 0.00 0.00 175.10 175.10 1wyg s SER 1242N -0.34 -0.00 -0.24 3.32 0.01 -0.25 -0.87 113.70 115.33 1wyg s SER 1242Ca 0.03 0.03 -0.10 0.00 1.31 0.00 0.00 55.95 57.23 1wyg s SER 1242Cb -0.11 0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.09 1wyg s SER 1242CO 0.01 -0.03 0.14 -0.76 0.41 0.00 0.00 173.24 173.01 1wyg s LEU 1243N 0.21 3.99 -0.17 2.44 1.43 0.15 -0.49 118.68 126.25 1wyg s LEU 1243Ca -0.02 0.06 -0.39 0.00 -1.03 0.00 0.00 54.13 52.75 1wyg s LEU 1243Cb -0.03 -2.07 -0.16 0.00 0.03 0.00 0.00 46.19 43.97 1wyg s LEU 1243CO -0.01 0.06 1.62 -0.11 0.23 0.00 0.00 176.35 178.14 1wyg n LEU 1244N 4.32 2.14 -4.87 1.79 7.94 0.19 -4.68 117.00 123.82 1wyg n LEU 1244Ca -0.15 1.09 -0.31 0.00 -1.11 0.00 0.00 56.01 55.53 1wyg n LEU 1244Cb 0.52 -1.15 0.02 0.00 0.53 0.00 0.00 43.42 43.34 1wyg n LEU 1244CO 0.34 -0.63 0.71 -0.13 -1.11 0.00 0.00 177.39 176.58 1wyg s ARG 1245N 2.61 3.45 -1.15 1.96 0.52 -1.26 -4.41 118.95 120.67 1wyg s ARG 1245Ca 0.94 0.67 -0.31 0.00 -0.52 0.00 0.00 55.73 56.51 1wyg s ARG 1245Cb -1.04 -2.08 0.04 0.00 0.52 0.00 0.00 34.95 32.39 1wyg s ARG 1245CO 0.60 -0.65 0.59 -0.25 0.02 0.00 0.00 175.30 175.62 1wyg n ASP 1246N -2.78 -3.50 -3.02 0.23 8.00 -1.26 -4.93 116.55 109.29 1wyg n ASP 1246Ca 0.06 -1.22 -0.16 0.00 0.71 0.00 0.00 54.79 54.18 1wyg n ASP 1246Cb 0.55 -1.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.17 1wyg n ASP 1246CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wyg s PRO 1248N -2.67 4.07 -1.19 0.00 0.04 -1.26 -3.94 135.00 130.04 1wyg s PRO 1248Ca 0.37 2.59 -0.06 0.00 0.04 0.00 0.00 61.00 63.93 1wyg s PRO 1248Cb 0.38 -4.18 0.23 0.00 0.04 0.00 0.00 34.50 30.96 1wyg s PRO 1248CO -0.05 -1.04 1.81 -1.71 0.04 0.00 0.00 177.00 176.05 1wyg n ASN 1249N 7.86 6.22 -0.19 6.66 5.15 -1.08 -4.91 115.26 134.96 1wyg n ASN 1249Ca 0.21 -3.28 0.01 0.00 -0.60 0.00 0.00 54.58 50.91 1wyg n ASN 1249Cb 0.41 -1.36 0.04 0.00 -0.53 0.00 0.00 39.78 38.34 1wyg n ASN 1249CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1wyg n LYS 1250N 2.25 -0.10 0.00 1.20 -0.00 -1.26 -0.84 118.16 119.41 1wyg n LYS 1250Ca 0.39 0.78 0.00 0.00 -0.00 0.00 0.00 58.31 59.48 1wyg n LYS 1250Cb 0.32 -1.16 0.01 0.00 -0.00 0.00 0.00 35.03 34.20 1wyg n LYS 1250CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1wyg n ARG 1251N -4.77 0.05 -4.11 -1.58 1.85 -1.26 -4.24 116.66 102.59 1wyg n ARG 1251Ca 0.06 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.77 1wyg n ARG 1251Cb 0.22 -1.09 -0.11 0.00 -1.05 0.00 0.00 32.46 30.43 1wyg n ARG 1251CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wyg s ALA 1252N -2.00 0.81 -0.30 2.89 0.00 -0.02 -5.05 121.76 118.08 1wyg s ALA 1252Ca 0.00 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 50.79 1wyg s ALA 1252Cb 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 23.12 23.05 1wyg s ALA 1252CO 0.00 -0.02 1.21 1.51 0.00 0.00 0.00 175.76 178.47 1wyg n ILE 1253N 1.11 0.00 -3.93 0.00 0.00 -1.26 0.07 119.36 115.36 1wyg n ILE 1253Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 62.75 62.28 1wyg n ILE 1253Cb 0.56 -0.28 -0.00 0.00 0.00 0.00 0.00 39.64 39.92 1wyg n ILE 1253CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1wyg n TYR 1254N 4.29 -1.85 -3.96 9.51 4.01 -1.26 -2.50 117.16 125.40 1wyg n TYR 1254Ca 0.31 0.81 -0.29 0.00 -0.16 0.00 0.00 57.90 58.57 1wyg n TYR 1254Cb -0.02 -3.83 0.00 0.00 -0.31 0.00 0.00 39.34 35.19 1wyg n TYR 1254CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wyg n ALA 1255N -4.42 -1.64 -3.96 -0.72 0.00 0.11 -4.72 120.51 105.17 1wyg n ALA 1255Ca -0.19 -0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.02 1wyg n ALA 1255Cb 0.63 -2.87 -0.01 0.00 0.00 0.00 0.00 19.45 17.19 1wyg n ALA 1255CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wyg n SER 1256N -2.88 2.26 -3.90 0.00 3.41 -1.04 0.85 113.62 112.32 1wyg n SER 1256Ca -0.12 -2.14 -0.10 0.00 -0.26 0.00 0.00 58.87 56.25 1wyg n SER 1256Cb 0.59 0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.51 1wyg n SER 1256CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wyg s LYS 1257N -3.20 0.59 0.80 4.33 1.02 -1.17 -4.48 119.74 117.63 1wyg s LYS 1257Ca 0.12 -0.67 -0.13 0.00 0.02 0.00 0.00 55.97 55.31 1wyg s LYS 1257Cb -0.01 0.24 0.08 0.00 -0.52 0.00 0.00 37.83 37.62 1wyg s LYS 1257CO 0.07 -0.15 1.19 0.00 -0.92 0.00 0.00 175.35 175.54 1wyg s ALA 1258N -2.39 1.88 0.00 5.17 0.00 -1.26 -4.85 121.76 120.31 1wyg s ALA 1258Ca -0.07 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1wyg s ALA 1258Cb -0.02 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1wyg s ALA 1258CO -0.03 -2.22 0.06 1.55 0.00 0.00 0.00 175.76 175.12 1wyg n VAL 1259N -3.30 0.00 0.07 0.00 3.14 -1.26 -4.86 118.33 112.11 1wyg n VAL 1259Ca 0.13 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.36 1wyg n VAL 1259Cb 0.51 0.73 -0.06 0.00 -1.06 0.00 0.00 33.84 33.96 1wyg n VAL 1259CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1wyg h GLY 1260N 0.00 0.50 0.00 7.55 0.00 -1.91 -3.41 103.07 105.79 1wyg h GLY 1260Ca 0.00 -0.90 -0.35 0.00 0.00 0.00 0.00 47.33 46.08 1wyg h GLY 1260CO 0.00 0.79 -2.22 1.18 0.00 0.00 0.00 176.54 176.29 1wyg n GLU 1261N -3.75 0.50 -0.35 4.80 1.02 -1.26 -4.73 120.64 116.86 1wyg n GLU 1261Ca -0.08 0.17 0.05 0.00 -0.02 0.00 0.00 57.16 57.29 1wyg n GLU 1261Cb 0.86 -1.35 0.13 0.00 -0.02 0.00 0.00 31.44 31.05 1wyg n GLU 1261CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1wyg n PRO 1262N -3.60 -0.10 0.32 3.49 -0.02 -1.26 -1.05 135.00 132.78 1wyg n PRO 1262Ca -0.41 1.52 0.18 0.00 -2.02 0.00 0.00 63.50 62.77 1wyg n PRO 1262Cb 0.85 -2.27 0.95 0.00 -0.02 0.00 0.00 33.50 33.00 1wyg n PRO 1262CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wyg h PRO 1263N 0.00 0.00 -0.46 0.52 0.11 -1.85 -3.15 132.00 127.17 1wyg h PRO 1263Ca 0.46 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.48 1wyg h PRO 1263Cb 0.70 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.79 1wyg h PRO 1263CO -1.00 0.00 -0.07 1.25 -0.21 0.00 0.00 178.00 177.97 1wyg h LEU 1264N 0.00 0.79 -1.23 2.35 6.46 -1.30 -3.00 115.31 119.38 1wyg h LEU 1264Ca 0.01 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.49 1wyg h LEU 1264Cb 0.45 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1wyg h LEU 1264CO -0.00 0.90 -0.28 0.15 -0.62 0.00 0.00 178.44 178.58 1wyg h PHE 1265N 0.74 0.00 0.00 1.25 3.57 -1.75 -2.88 116.94 117.87 1wyg h PHE 1265Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1wyg h PHE 1265Cb 0.55 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1wyg h PHE 1265CO 0.03 0.28 0.09 1.28 -2.23 0.00 0.00 178.31 177.76 1wyg n LEU 1266N -3.59 0.17 0.00 0.59 4.77 -1.13 0.12 117.00 117.92 1wyg n LEU 1266Ca -0.01 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 1wyg n LEU 1266Cb 0.42 -0.52 0.66 0.00 -2.33 0.00 0.00 43.42 41.64 1wyg n LEU 1266CO 0.35 -0.57 0.87 0.00 -1.33 0.00 0.00 177.39 176.71 1wyg n ALA 1267N -1.52 2.31 -0.21 -1.18 0.00 -1.09 -2.66 120.51 116.16 1wyg n ALA 1267Ca -0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 1wyg n ALA 1267Cb 0.10 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.20 1wyg n ALA 1267CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wyg h SER 1268N 0.00 0.75 -1.42 0.00 0.87 -0.57 -2.26 113.55 110.92 1wyg h SER 1268Ca 0.00 -0.10 0.41 0.00 -1.23 0.00 0.00 61.79 60.87 1wyg h SER 1268Cb 0.06 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 61.77 1wyg h SER 1268CO 0.00 0.63 1.08 0.77 -0.53 0.00 0.00 176.83 178.78 1wyg h SER 1269N 0.80 0.00 0.24 6.23 4.64 -1.73 1.43 113.55 125.16 1wyg h SER 1269Ca 0.21 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.19 1wyg h SER 1269Cb 0.06 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1wyg h SER 1269CO -0.03 0.00 -1.51 0.40 -0.87 0.00 0.00 176.83 174.82 1wyg h ILE 1270N 0.00 1.22 0.02 0.95 2.04 -1.64 -2.62 117.51 117.48 1wyg h ILE 1270Ca 0.67 -2.66 0.02 0.00 1.00 0.00 0.00 64.86 63.90 1wyg h ILE 1270Cb 2.83 3.00 -0.03 0.00 -0.74 0.00 0.00 36.82 41.88 1wyg h ILE 1270CO -0.01 0.81 -0.17 0.15 0.00 0.00 0.00 178.15 178.94 1wyg h PHE 1271N 0.12 -0.44 0.00 1.37 3.57 0.19 -1.48 116.94 120.27 1wyg h PHE 1271Ca -0.27 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1wyg h PHE 1271Cb 2.14 0.19 0.00 0.00 2.79 0.00 0.00 35.95 41.07 1wyg h PHE 1271CO 0.13 -0.24 0.00 1.19 -2.23 0.00 0.00 178.31 177.15 1wyg n PHE 1272N -5.30 0.00 0.02 0.41 3.72 -0.22 -1.59 117.46 114.51 1wyg n PHE 1272Ca -0.05 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.26 1wyg n PHE 1272Cb 0.22 -0.41 -0.13 0.00 -0.94 0.00 0.00 39.48 38.21 1wyg n PHE 1272CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wyg h ALA 1273N 2.96 0.53 -0.03 4.37 0.00 -1.01 -2.81 119.26 123.27 1wyg h ALA 1273Ca 0.00 -1.17 -0.17 0.00 0.00 0.00 0.00 54.91 53.57 1wyg h ALA 1273Cb 0.33 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wyg h ALA 1273CO 0.00 1.39 -0.74 0.82 0.00 0.00 0.00 179.25 180.73 1wyg h ILE 1274N 0.00 1.44 -0.13 0.00 2.04 -0.75 -1.77 117.51 118.35 1wyg h ILE 1274Ca -0.14 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.43 1wyg h ILE 1274Cb 1.89 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 40.19 1wyg h ILE 1274CO 0.11 0.67 0.08 0.50 0.00 0.00 0.00 178.15 179.51 1wyg h LYS 1275N 0.14 0.16 0.87 2.37 1.63 -1.25 -1.01 116.57 119.48 1wyg h LYS 1275Ca -0.02 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 1wyg h LYS 1275Cb 1.30 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 32.90 1wyg h LYS 1275CO 0.11 0.10 -0.43 -0.44 -3.45 0.00 0.00 179.45 175.35 1wyg h ASP 1276N 0.16 -1.02 -1.26 4.20 5.19 -1.37 -0.88 116.42 121.44 1wyg h ASP 1276Ca 0.05 0.04 0.36 0.00 -0.62 0.00 0.00 57.03 56.86 1wyg h ASP 1276Cb -0.01 0.27 -0.08 0.00 0.18 0.00 0.00 39.33 39.69 1wyg h ASP 1276CO -0.01 -0.72 0.87 0.00 -3.12 0.00 0.00 179.24 176.26 1wyg h ALA 1277N -1.43 2.92 0.04 3.45 0.00 -1.24 0.54 119.26 123.54 1wyg h ALA 1277Ca -0.12 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.55 1wyg h ALA 1277Cb 0.91 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1wyg h ALA 1277CO 0.19 -1.35 -1.04 0.82 0.00 0.00 0.00 179.25 177.87 1wyg h ILE 1278N 0.12 1.41 -0.51 0.00 2.04 -0.68 -3.06 117.51 116.83 1wyg h ILE 1278Ca 0.66 -2.58 -0.11 0.00 1.00 0.00 0.00 64.86 63.82 1wyg h ILE 1278Cb 2.29 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 40.92 1wyg h ILE 1278CO -0.15 0.77 -0.13 -0.09 0.00 0.00 0.00 178.15 178.56 1wyg h ARG 1279N 0.20 0.98 -0.39 2.37 2.43 0.14 -1.56 114.38 118.55 1wyg h ARG 1279Ca -0.10 -0.38 0.02 0.00 -0.81 0.00 0.00 59.98 58.71 1wyg h ARG 1279Cb 1.70 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 31.18 1wyg h ARG 1279CO 0.18 1.05 0.26 0.00 -1.51 0.00 0.00 179.97 179.95 1wyg h ALA 1280N 0.90 1.82 0.10 2.80 0.00 -1.14 0.79 119.26 124.53 1wyg h ALA 1280Ca 0.13 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 1wyg h ALA 1280Cb 0.69 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.37 1wyg h ALA 1280CO 0.05 0.13 -1.18 0.00 0.00 0.00 0.00 179.25 178.26 1wyg h ALA 1281N 1.77 0.11 0.00 0.00 0.00 -1.38 -3.21 119.26 116.55 1wyg h ALA 1281Ca 0.16 -0.78 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1wyg h ALA 1281Cb 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1wyg h ALA 1281CO -0.04 0.78 -0.32 0.00 0.00 0.00 0.00 179.25 179.68 1wyg h ARG 1282N 0.22 0.00 0.00 0.00 3.08 -0.32 -2.91 114.38 114.46 1wyg h ARG 1282Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1wyg h ARG 1282Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.90 1wyg h ARG 1282CO 0.21 0.32 0.00 0.00 -1.07 0.00 0.00 179.97 179.43 1wyg n ALA 1283N -2.38 1.81 -0.53 0.04 0.00 0.18 -2.56 120.51 117.06 1wyg n ALA 1283Ca -0.01 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1wyg n ALA 1283Cb 0.40 -1.33 0.26 0.00 0.00 0.00 0.00 19.45 18.78 1wyg n ALA 1283CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wyg n GLN 1284N -1.75 3.18 -3.91 0.00 6.02 -1.10 -4.84 117.38 114.99 1wyg n GLN 1284Ca 0.04 -2.57 -0.35 0.00 -0.01 0.00 0.00 57.00 54.11 1wyg n GLN 1284Cb 0.23 -1.64 -0.14 0.00 1.02 0.00 0.00 30.24 29.72 1wyg n GLN 1284CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1wyg s HIS 1285N -1.72 3.25 0.03 1.08 2.46 -1.06 -5.03 115.29 114.29 1wyg s HIS 1285Ca 0.39 -1.83 -0.05 0.00 0.47 0.00 0.00 55.06 54.04 1wyg s HIS 1285Cb 0.25 -2.11 -0.01 0.00 -0.13 0.00 0.00 32.58 30.58 1wyg s HIS 1285CO 0.18 -0.79 0.44 0.41 -2.47 0.00 0.00 174.74 172.51 1wyg n GLY 1286N 4.63 -1.01 3.56 1.59 0.00 -1.26 -4.44 105.19 108.27 1wyg n GLY 1286Ca -0.13 0.30 -0.47 0.00 0.00 0.00 0.00 46.02 45.72 1wyg n GLY 1286CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wyg n ASP 1287N -3.30 2.96 0.00 1.61 9.92 -1.26 -4.91 116.55 121.56 1wyg n ASP 1287Ca 0.00 0.44 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 1wyg n ASP 1287Cb 0.04 -1.42 0.00 0.00 -0.64 0.00 0.00 41.12 39.10 1wyg n ASP 1287CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1wyg n ASN 1288N 10.01 0.00 -3.47 -2.24 5.15 -1.26 -4.86 115.26 118.58 1wyg n ASN 1288Ca 0.32 0.62 -0.25 0.00 -0.60 0.00 0.00 54.58 54.68 1wyg n ASN 1288Cb 0.35 -0.12 0.05 0.00 -0.53 0.00 0.00 39.78 39.52 1wyg n ASN 1288CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wyg n ALA 1289N -1.35 -1.19 -0.25 5.20 0.00 -1.26 -4.66 120.51 117.00 1wyg n ALA 1289Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1wyg n ALA 1289Cb 0.00 -4.68 0.00 0.00 0.00 0.00 0.00 19.45 14.77 1wyg n ALA 1289CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wyg n LYS 1290N -4.58 -0.71 -0.07 0.00 4.81 -1.26 -4.93 118.16 111.42 1wyg n LYS 1290Ca -0.02 0.53 -0.03 0.00 -0.87 0.00 0.00 58.31 57.92 1wyg n LYS 1290Cb 0.57 -0.60 -0.16 0.00 0.02 0.00 0.00 35.03 34.86 1wyg n LYS 1290CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wyg n GLN 1291N -1.08 0.69 -3.12 1.64 0.00 -1.26 -4.62 117.38 109.63 1wyg n GLN 1291Ca 0.00 -0.08 -0.44 0.00 0.00 0.00 0.00 57.00 56.49 1wyg n GLN 1291Cb 0.01 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 28.74 1wyg n GLN 1291CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1wyg n LEU 1292N -2.58 5.98 -4.77 2.61 4.77 -1.26 -5.03 117.00 116.72 1wyg n LEU 1292Ca -0.23 -5.07 -0.30 0.00 -0.03 0.00 0.00 56.01 50.38 1wyg n LEU 1292Cb 0.95 -1.39 0.20 0.00 -2.33 0.00 0.00 43.42 40.85 1wyg n LEU 1292CO 0.44 1.48 0.74 0.72 -1.33 0.00 0.00 177.39 179.44 1wyg s PHE 1293N -1.76 1.34 -0.26 -1.77 -0.12 -1.26 -5.04 117.98 109.10 1wyg s PHE 1293Ca 0.32 0.50 -0.11 0.00 -0.05 0.00 0.00 56.93 57.59 1wyg s PHE 1293Cb -0.02 -3.71 -0.05 0.00 -0.63 0.00 0.00 43.02 38.62 1wyg s PHE 1293CO 0.01 -3.09 0.17 -1.14 -0.05 0.00 0.00 175.22 171.13 1wyg s GLN 1294N -5.57 3.99 -0.39 1.99 2.00 -1.26 -5.05 119.66 115.37 1wyg s GLN 1294Ca 0.71 -0.31 0.01 0.00 -2.00 0.00 0.00 55.36 53.77 1wyg s GLN 1294Cb -0.08 -3.60 0.12 0.00 0.80 0.00 0.00 33.01 30.25 1wyg s GLN 1294CO 0.54 -0.08 0.17 -1.17 -0.50 0.00 0.00 175.29 174.25 1wyg s LEU 1295N 1.46 2.82 0.72 3.68 2.96 -1.26 -4.98 118.68 124.08 1wyg s LEU 1295Ca 0.07 -2.26 -0.11 0.00 -0.22 0.00 0.00 54.13 51.60 1wyg s LEU 1295Cb -0.15 -1.07 0.02 0.00 0.50 0.00 0.00 46.19 45.49 1wyg s LEU 1295CO 0.08 -0.33 1.08 -1.81 -1.32 0.00 0.00 176.35 174.05 1wyg s ASP 1296N 0.81 5.30 -0.12 3.68 1.01 -1.26 -4.94 116.67 121.15 1wyg s ASP 1296Ca 0.14 1.30 -0.09 0.00 0.71 0.00 0.00 52.55 54.61 1wyg s ASP 1296Cb -0.22 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1wyg s ASP 1296CO -0.09 -1.45 0.19 -0.55 0.21 0.00 0.00 175.17 173.48 1wyg s SER 1297N -4.12 6.43 0.45 0.27 0.15 -0.51 -3.60 113.70 112.78 1wyg s SER 1297Ca 0.58 0.51 -0.16 0.00 0.70 0.00 0.00 55.95 57.58 1wyg s SER 1297Cb -0.12 -2.11 -0.09 0.00 -1.71 0.00 0.00 66.02 61.99 1wyg s SER 1297CO 0.53 0.34 0.91 -2.16 1.20 0.00 0.00 173.24 174.07 1wyg s PRO 1298N -0.73 4.00 -1.37 5.44 0.04 -1.26 -0.68 135.00 140.43 1wyg s PRO 1298Ca 0.15 0.88 -0.16 0.00 0.04 0.00 0.00 61.00 61.91 1wyg s PRO 1298Cb -0.13 -2.22 0.05 0.00 0.04 0.00 0.00 34.50 32.24 1wyg s PRO 1298CO 0.05 -0.12 1.98 0.00 0.04 0.00 0.00 177.00 178.94 1wyg n ALA 1299N -1.16 4.49 -1.39 8.56 0.00 0.23 -4.84 120.51 126.39 1wyg n ALA 1299Ca 0.06 -3.84 -0.30 0.00 0.00 0.00 0.00 53.44 49.35 1wyg n ALA 1299Cb 0.54 -3.57 0.22 0.00 0.00 0.00 0.00 19.45 16.63 1wyg n ALA 1299CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wyg s THR 1300N 3.84 1.76 0.22 0.00 -4.23 -1.26 -4.59 115.64 111.39 1wyg s THR 1300Ca 0.51 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.94 1wyg s THR 1300Cb 0.09 -2.67 0.19 0.00 1.34 0.00 0.00 72.50 71.44 1wyg s THR 1300CO -0.00 0.00 1.85 -0.65 -0.54 0.00 0.00 174.62 175.27 1wyg h PRO 1301N -2.21 1.19 0.13 3.99 0.11 -1.83 -1.73 132.00 131.65 1wyg h PRO 1301Ca -0.45 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 65.52 1wyg h PRO 1301Cb 1.28 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1wyg h PRO 1301CO 0.37 0.87 -0.19 1.49 -0.21 0.00 0.00 178.00 180.33 1wyg h GLU 1302N 1.19 -0.32 -1.02 1.05 4.81 -1.89 0.02 114.58 118.42 1wyg h GLU 1302Ca 0.30 0.02 0.25 0.00 -0.13 0.00 0.00 59.36 59.80 1wyg h GLU 1302Cb 0.03 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.38 1wyg h GLU 1302CO -0.05 -0.21 0.65 0.87 -0.73 0.00 0.00 179.01 179.53 1wyg h LYS 1303N -0.33 0.46 -0.08 1.92 1.57 -1.86 -1.88 116.57 116.36 1wyg h LYS 1303Ca -0.02 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1wyg h LYS 1303Cb 0.30 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1wyg h LYS 1303CO -0.05 0.30 -0.08 0.82 -0.57 0.00 0.00 179.45 179.87 1wyg h ILE 1304N 0.47 1.36 0.62 1.86 2.04 -0.90 -2.47 117.51 120.49 1wyg h ILE 1304Ca 0.59 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1wyg h ILE 1304Cb 1.37 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1wyg h ILE 1304CO -0.33 0.34 -0.34 -0.09 0.00 0.00 0.00 178.15 177.73 1wyg h ARG 1305N -0.22 -0.85 -0.94 2.37 9.65 -0.26 -2.57 114.38 121.56 1wyg h ARG 1305Ca 0.01 0.06 0.28 0.00 -1.10 0.00 0.00 59.98 59.24 1wyg h ARG 1305Cb 0.58 0.19 -0.15 0.00 -1.39 0.00 0.00 29.97 29.20 1wyg h ARG 1305CO 0.02 -0.57 0.32 -0.91 2.80 0.00 0.00 179.97 181.64 1wyg h ASN 1306N -0.88 0.09 0.24 -3.80 2.35 -1.48 0.71 115.58 112.81 1wyg h ASN 1306Ca -0.08 0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1wyg h ASN 1306Cb 0.69 0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.33 1wyg h ASN 1306CO 0.11 -0.21 -0.10 0.00 -1.65 0.00 0.00 177.43 175.57 1wyg h ALA 1307N 1.85 1.43 -0.29 -0.83 0.00 -1.18 -3.16 119.26 117.09 1wyg h ALA 1307Ca 0.64 -0.09 -0.71 0.00 0.00 0.00 0.00 54.91 54.74 1wyg h ALA 1307Cb 1.40 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 1wyg h ALA 1307CO -0.70 0.13 3.07 0.00 0.00 0.00 0.00 179.25 181.75 1wyg n VAL 1309N 3.46 0.30 -2.98 0.00 0.24 -1.20 -4.80 118.33 113.35 1wyg n VAL 1309Ca 0.63 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.85 1wyg n VAL 1309Cb 0.29 -1.72 0.00 0.00 -1.47 0.00 0.00 33.84 30.94 1wyg n VAL 1309CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1wyg n ASP 1310N 3.19 0.00 0.26 -1.34 3.85 -1.26 -4.85 116.55 116.40 1wyg n ASP 1310Ca 0.15 -0.92 0.15 0.00 -0.71 0.00 0.00 54.79 53.46 1wyg n ASP 1310Cb 0.32 0.00 0.81 0.00 -1.35 0.00 0.00 41.12 40.90 1wyg n ASP 1310CO 0.00 0.00 0.00 0.06 -1.01 0.00 0.00 177.20 176.25 1wyg h GLN 1311N 0.00 0.00 0.04 0.11 -0.00 -2.00 -1.79 115.11 111.47 1wyg h GLN 1311Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.65 58.29 1wyg h GLN 1311Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.43 1wyg h GLN 1311CO 0.00 0.00 -2.19 1.19 -0.00 0.00 0.00 178.83 177.83 1wyg n PHE 1312N -2.64 0.58 0.19 0.06 3.01 -1.26 -3.35 117.46 114.05 1wyg n PHE 1312Ca -0.02 0.15 0.04 0.00 1.01 0.00 0.00 57.45 58.63 1wyg n PHE 1312Cb 0.18 -1.08 0.39 0.00 -0.01 0.00 0.00 39.48 38.96 1wyg n PHE 1312CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1wyg h THR 1313N 0.02 1.10 -0.00 4.37 1.35 -1.73 -3.21 112.91 114.82 1wyg h THR 1313Ca -0.48 -1.30 -0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1wyg h THR 1313Cb 2.02 1.73 -0.00 0.00 -1.73 0.00 0.00 68.15 70.17 1wyg h THR 1313CO 0.02 0.35 -0.00 0.74 -0.25 0.00 0.00 175.52 176.38 1wyg h THR 1314N 0.00 1.40 -0.63 6.82 2.02 -1.49 -3.33 112.91 117.70 1wyg h THR 1314Ca -0.00 -1.18 -0.41 0.00 0.77 0.00 0.00 66.41 65.58 1wyg h THR 1314Cb 0.70 2.20 -0.12 0.00 -1.74 0.00 0.00 68.15 69.19 1wyg h THR 1314CO 0.05 0.31 0.43 0.18 0.37 0.00 0.00 175.52 176.85 1wyg n LEU 1315N -4.85 6.25 0.00 2.58 4.32 -1.21 -3.88 117.00 120.22 1wyg n LEU 1315Ca -0.08 -3.82 0.00 0.00 -0.02 0.00 0.00 56.01 52.09 1wyg n LEU 1315Cb 0.26 -1.33 0.00 0.00 -1.62 0.00 0.00 43.42 40.73 1wyg n LEU 1315CO 0.34 1.76 0.00 0.00 -1.22 0.00 0.00 177.39 178.27 1wyg n VAL 1317N 0.00 0.00 -1.27 0.00 0.24 -1.25 -4.80 118.33 111.25 1wyg n VAL 1317Ca 0.00 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.34 62.03 1wyg n VAL 1317Cb 0.10 0.30 -0.07 0.00 -1.47 0.00 0.00 33.84 32.69 1wyg n VAL 1317CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1wyg n THR 1318N -0.40 0.00 -2.87 3.34 -2.24 -1.26 -5.04 114.28 105.80 1wyg n THR 1318Ca 0.16 -0.19 -0.26 0.00 -2.27 0.00 0.00 64.05 61.49 1wyg n THR 1318Cb 0.32 -1.23 -0.00 0.00 -2.10 0.00 0.00 70.33 67.33 1wyg n THR 1318CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wyg s SER 1324N 5.29 6.17 0.00 3.42 0.01 -1.26 -5.11 113.70 122.22 1wyg s SER 1324Ca 0.49 0.70 0.00 0.00 1.31 0.00 0.00 55.95 58.45 1wyg s SER 1324Cb -0.01 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1wyg s SER 1324CO 0.13 -0.55 0.00 1.17 0.41 0.00 0.00 173.24 174.40 1wyg n LYS 1325N -2.13 0.00 -2.30 12.44 3.00 -1.26 -5.05 118.16 122.85 1wyg n LYS 1325Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.97 1wyg n LYS 1325Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.57 1wyg n LYS 1325CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1wyg s SER 1326N 0.00 6.12 0.12 3.14 1.04 -1.26 -4.59 113.70 118.27 1wyg s SER 1326Ca 0.00 1.84 -0.32 0.00 0.48 0.00 0.00 55.95 57.94 1wyg s SER 1326Cb 0.00 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.47 1wyg s SER 1326CO 0.00 -0.93 1.57 -0.25 0.98 0.00 0.00 173.24 174.61 1wyg h TRP 1327N 0.98 -1.40 -1.18 5.02 7.01 -1.81 -3.43 115.95 121.15 1wyg h TRP 1327Ca -0.48 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.56 1wyg h TRP 1327Cb 1.22 0.61 0.00 0.00 -2.10 0.00 0.00 29.16 28.89 1wyg h TRP 1327CO 0.58 -0.54 0.00 -1.13 -2.79 0.00 0.00 178.44 174.56 1wyg n SER 1328N -5.46 0.06 0.00 2.65 3.41 -1.26 -4.07 113.62 108.94 1wyg n SER 1328Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1wyg n SER 1328Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1wyg n SER 1328CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1wyg n VAL 1329N 0.00 0.00 -2.59 -3.33 3.14 -1.12 -4.27 118.33 110.16 1wyg n VAL 1329Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 1wyg n VAL 1329Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 1wyg n VAL 1329CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1wyg s ARG 1330N -1.41 4.29 0.00 1.45 3.52 -1.26 -4.46 118.95 121.08 1wyg s ARG 1330Ca 0.00 1.46 0.30 0.00 -0.13 0.00 0.00 55.73 57.36 1wyg s ARG 1330Cb 0.00 -3.65 1.77 0.00 -1.56 0.00 0.00 34.95 31.51 1wyg s ARG 1330CO 0.00 -0.58 2.10 -0.89 -0.81 0.00 0.00 175.30 175.12