#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4t s GLN 11 N 0.00 2.60 0.10 3.17 2.00 -1.26 -4.86 119.66 121.42 3a4t s GLN 11 Ca 0.00 -0.87 0.02 0.00 -2.00 0.00 0.00 55.36 52.51 3a4t s GLN 11 Cb 0.00 -2.14 -0.04 0.00 0.80 0.00 0.00 33.01 31.63 3a4t s GLN 11 CO 0.00 0.31 -0.07 -0.06 -0.50 0.00 0.00 175.29 174.97 3a4t s PHE 12 N -0.00 0.95 0.01 1.67 0.40 -1.25 -0.28 117.98 119.48 3a4t s PHE 12 Ca -0.08 -0.87 0.04 0.00 -0.60 0.00 0.00 56.93 55.42 3a4t s PHE 12 Cb -0.15 -0.53 -0.01 0.00 0.51 0.00 0.00 43.02 42.83 3a4t s PHE 12 CO 0.05 -0.11 -0.11 0.96 0.70 0.00 0.00 175.22 176.71 3a4t s ILE 13 N -3.49 0.87 -0.28 0.64 -4.36 -0.55 -2.52 121.20 111.52 3a4t s ILE 13 Ca 0.12 -0.70 -0.09 0.00 -0.26 0.00 0.00 60.65 59.72 3a4t s ILE 13 Cb 0.04 -0.78 -0.03 0.00 1.25 0.00 0.00 42.46 42.94 3a4t s ILE 13 CO -0.04 0.08 0.13 -0.60 0.24 0.00 0.00 174.94 174.76 3a4t s ARG 14 N -0.70 3.69 0.19 0.37 3.52 0.04 -1.51 118.95 124.54 3a4t s ARG 14 Ca 0.02 -0.48 -0.31 0.00 -0.13 0.00 0.00 55.73 54.83 3a4t s ARG 14 Cb -0.06 -3.51 -0.09 0.00 -1.56 0.00 0.00 34.95 29.73 3a4t s ARG 14 CO 0.00 -0.24 1.40 0.08 -0.81 0.00 0.00 175.30 175.73 3a4t s VAL 15 N 1.67 3.00 -0.53 7.11 1.01 0.40 -0.70 120.40 132.36 3a4t s VAL 15 Ca 0.06 0.79 -0.20 0.00 0.00 0.00 0.00 61.98 62.62 3a4t s VAL 15 Cb -0.16 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 32.78 3a4t s VAL 15 CO 0.07 0.10 0.72 0.21 0.00 0.00 0.00 175.10 176.20 3a4t s ASN 16 N 0.64 6.24 0.00 3.32 2.47 -0.47 -4.85 114.94 122.30 3a4t s ASN 16 Ca 0.61 -0.83 0.29 0.00 0.42 0.00 0.00 52.86 53.35 3a4t s ASN 16 Cb -0.39 -2.33 1.32 0.00 -1.45 0.00 0.00 41.25 38.40 3a4t s ASN 16 CO 0.37 -1.01 1.95 0.41 -3.72 0.00 0.00 177.10 175.10 3a4t n THR 17 N 5.76 0.04 0.16 -5.21 -1.04 -1.24 -0.55 114.28 112.19 3a4t n THR 17 Ca -0.05 0.01 0.01 0.00 -2.04 0.00 0.00 64.05 61.98 3a4t n THR 17 Cb 0.46 -0.52 0.23 0.00 -1.82 0.00 0.00 70.33 68.68 3a4t n THR 17 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3a4t h LEU 18 N 0.00 0.00 0.00 -4.42 3.38 -1.89 -3.37 115.31 109.01 3a4t h LEU 18 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3a4t h LEU 18 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3a4t h LEU 18 CO 0.00 0.53 -1.43 0.29 0.09 0.00 0.00 178.44 177.92 3a4t n LYS 19 N -3.74 2.86 -3.71 1.13 5.02 0.29 -5.07 118.16 114.93 3a4t n LYS 19 Ca -0.01 -0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 3a4t n LYS 19 Cb 0.57 -1.16 -0.09 0.00 -0.02 0.00 0.00 35.03 34.33 3a4t n LYS 19 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3a4t s ILE 20 N -2.15 0.02 0.28 -0.18 2.07 -0.10 -5.09 121.20 116.06 3a4t s ILE 20 Ca -0.03 -0.19 -0.29 0.00 -1.41 0.00 0.00 60.65 58.72 3a4t s ILE 20 Cb 0.02 -0.67 -0.10 0.00 0.13 0.00 0.00 42.46 41.84 3a4t s ILE 20 CO 0.25 -0.11 1.26 0.21 -1.91 0.00 0.00 174.94 174.65 3a4t s ASN 21 N -0.61 6.92 0.17 4.50 2.47 -1.26 -3.72 114.94 123.41 3a4t s ASN 21 Ca -0.07 2.51 -0.15 0.00 0.42 0.00 0.00 52.86 55.56 3a4t s ASN 21 Cb -0.04 -2.63 0.13 0.00 -1.45 0.00 0.00 41.25 37.26 3a4t s ASN 21 CO 0.03 -0.45 1.69 -0.65 -3.72 0.00 0.00 177.10 174.00 3a4t h PRO 22 N 4.10 0.08 -0.17 0.43 0.11 -1.93 -1.92 132.00 132.70 3a4t h PRO 22 Ca -0.47 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3a4t h PRO 22 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3a4t h PRO 22 CO 0.69 0.06 -0.31 0.93 -0.21 0.00 0.00 178.00 179.16 3a4t h GLU 23 N 0.09 0.33 -0.62 1.05 4.39 -1.94 -0.89 114.58 116.97 3a4t h GLU 23 Ca 0.21 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3a4t h GLU 23 Cb 0.31 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 3a4t h GLU 23 CO -0.37 0.61 0.24 0.28 -1.16 0.00 0.00 179.01 178.61 3a4t h VAL 24 N 0.29 1.24 0.05 3.13 2.07 -1.87 -1.69 116.25 119.46 3a4t h VAL 24 Ca 0.04 -0.75 -0.25 0.00 0.82 0.00 0.00 66.70 66.56 3a4t h VAL 24 Cb 0.70 0.56 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3a4t h VAL 24 CO 0.05 0.29 -1.06 0.25 0.02 0.00 0.00 177.57 177.13 3a4t h LEU 25 N 0.88 0.55 0.08 2.57 7.12 -1.31 -2.21 115.31 122.99 3a4t h LEU 25 Ca 0.21 -0.49 0.02 0.00 0.13 0.00 0.00 57.88 57.75 3a4t h LEU 25 Cb 0.22 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.15 3a4t h LEU 25 CO -0.01 1.31 -0.18 0.50 -0.13 0.00 0.00 178.44 179.93 3a4t h LYS 26 N 0.20 -0.32 -0.78 1.25 3.64 -1.10 -1.72 116.57 117.74 3a4t h LYS 26 Ca -0.11 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.36 3a4t h LYS 26 Cb 1.72 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 33.55 3a4t h LYS 26 CO 0.18 -0.21 0.47 -0.22 -2.27 0.00 0.00 179.45 177.40 3a4t h LYS 27 N -0.33 0.82 -0.89 1.90 1.63 -1.28 -1.67 116.57 116.76 3a4t h LYS 27 Ca 0.03 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 3a4t h LYS 27 Cb 0.36 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 31.76 3a4t h LYS 27 CO -0.11 0.55 0.59 -0.09 -3.45 0.00 0.00 179.45 176.93 3a4t h ARG 28 N 0.85 1.15 -0.17 1.90 2.43 -1.11 -2.42 114.38 117.01 3a4t h ARG 28 Ca 0.34 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.28 3a4t h ARG 28 Cb 0.18 -0.26 0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3a4t h ARG 28 CO -0.18 0.76 -0.55 -0.07 -1.51 0.00 0.00 179.97 178.42 3a4t h LEU 29 N 1.18 0.78 -0.99 3.80 3.38 -0.63 -3.21 115.31 119.62 3a4t h LEU 29 Ca 0.33 -0.60 0.21 0.00 0.09 0.00 0.00 57.88 57.91 3a4t h LEU 29 Cb -0.11 -0.23 -0.11 0.00 0.09 0.00 0.00 40.66 40.30 3a4t h LEU 29 CO -0.08 1.24 0.58 -0.33 0.09 0.00 0.00 178.44 179.94 3a4t h GLU 30 N 0.35 0.66 0.00 1.13 5.08 -1.15 -0.35 114.58 120.31 3a4t h GLU 30 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3a4t h GLU 30 Cb 1.18 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3a4t h GLU 30 CO 0.12 0.44 0.00 0.09 -1.00 0.00 0.00 179.01 178.65 3a4t n ASN 31 N -4.83 0.00 -0.17 1.42 3.02 -0.93 -2.06 115.26 111.71 3a4t n ASN 31 Ca 0.24 -1.36 0.06 0.00 -0.03 0.00 0.00 54.58 53.49 3a4t n ASN 31 Cb 0.63 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.88 3a4t n ASN 31 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3a4t n LYS 32 N -0.64 1.09 -0.93 3.52 5.02 -0.17 -5.00 118.16 121.05 3a4t n LYS 32 Ca 0.05 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.41 3a4t n LYS 32 Cb 0.02 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3a4t n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a4t n GLY 33 N -0.88 0.44 3.74 0.72 0.00 -0.88 -4.73 105.19 103.61 3a4t n GLY 33 Ca 0.09 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 3a4t n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4t s VAL 34 N -2.00 5.02 -0.26 1.61 1.01 -1.01 -4.14 120.40 120.63 3a4t s VAL 34 Ca 0.00 1.24 -0.10 0.00 0.00 0.00 0.00 61.98 63.12 3a4t s VAL 34 Cb 0.00 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3a4t s VAL 34 CO 0.00 0.34 0.16 -0.69 0.00 0.00 0.00 175.10 174.91 3a4t s VAL 35 N 0.34 5.12 -0.06 2.92 1.01 0.17 -3.90 120.40 126.00 3a4t s VAL 35 Ca 0.32 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.43 3a4t s VAL 35 Cb -0.17 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3a4t s VAL 35 CO 0.16 0.29 -0.13 -0.76 0.00 0.00 0.00 175.10 174.66 3a4t s LEU 36 N 1.55 2.80 0.14 3.92 1.43 -1.26 -0.97 118.68 126.29 3a4t s LEU 36 Ca 0.07 -0.18 0.09 0.00 -1.03 0.00 0.00 54.13 53.09 3a4t s LEU 36 Cb -0.15 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 3a4t s LEU 36 CO 0.08 0.34 -0.22 -0.70 0.23 0.00 0.00 176.35 176.08 3a4t s GLU 37 N -0.70 1.29 1.01 1.70 2.12 0.88 -4.92 118.70 120.07 3a4t s GLU 37 Ca 0.11 -1.33 -0.12 0.00 0.36 0.00 0.00 54.97 53.99 3a4t s GLU 37 Cb -0.11 -1.55 0.19 0.00 0.26 0.00 0.00 34.13 32.92 3a4t s GLU 37 CO 0.01 0.35 1.08 0.15 -0.54 0.00 0.00 175.26 176.30 3a4t s LYS 38 N -2.31 0.35 0.23 4.30 1.02 -1.26 0.60 119.74 122.66 3a4t s LYS 38 Ca 0.13 0.74 -0.12 0.00 0.02 0.00 0.00 55.97 56.74 3a4t s LYS 38 Cb -0.08 -1.71 -0.00 0.00 -0.52 0.00 0.00 37.83 35.51 3a4t s LYS 38 CO 0.06 -2.84 0.44 0.99 -0.92 0.00 0.00 175.35 173.08 3a4t s THR 39 N -2.81 0.01 0.64 2.17 2.01 -1.26 -4.48 115.64 111.91 3a4t s THR 39 Ca 0.66 -1.37 0.43 0.00 0.31 0.00 0.00 61.69 61.71 3a4t s THR 39 Cb -0.20 -2.11 0.44 0.00 0.01 0.00 0.00 72.50 70.64 3a4t s THR 39 CO 0.59 -0.05 2.35 2.19 -0.69 0.00 0.00 174.62 179.01 3a4t h PHE 40 N 2.31 0.00 -2.92 4.92 -5.15 -1.92 -3.42 116.94 110.76 3a4t h PHE 40 Ca -0.27 0.00 -0.62 0.00 -0.20 0.00 0.00 57.97 56.87 3a4t h PHE 40 Cb 1.25 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 37.36 3a4t h PHE 40 CO 0.39 0.00 -0.30 -0.51 -2.00 0.00 0.00 178.31 175.89 3a4t s LEU 41 N -6.34 4.42 0.02 2.10 1.43 -1.26 -5.00 118.68 114.04 3a4t s LEU 41 Ca -0.05 0.76 0.24 0.00 -1.03 0.00 0.00 54.13 54.05 3a4t s LEU 41 Cb 0.13 -2.53 1.01 0.00 0.03 0.00 0.00 46.19 44.83 3a4t s LEU 41 CO 0.43 0.31 1.77 -0.90 0.23 0.00 0.00 176.35 178.19 3a4t n ASP 42 N 1.61 0.07 -0.06 2.29 5.68 -1.26 -3.10 116.55 121.78 3a4t n ASP 42 Ca -0.14 0.51 0.06 0.00 -0.50 0.00 0.00 54.79 54.72 3a4t n ASP 42 Cb 0.53 -0.53 0.08 0.00 -1.14 0.00 0.00 41.12 40.06 3a4t n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a4t n TYR 43 N -1.57 0.00 -4.61 2.11 0.18 -1.26 -4.86 117.16 107.15 3a4t n TYR 43 Ca 0.06 -0.75 -0.30 0.00 1.88 0.00 0.00 57.90 58.78 3a4t n TYR 43 Cb 0.29 -0.11 -0.13 0.00 -0.38 0.00 0.00 39.34 39.02 3a4t n TYR 43 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3a4t s ALA 44 N -2.01 2.55 0.02 -3.48 0.00 -1.18 -0.45 121.76 117.21 3a4t s ALA 44 Ca 0.18 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.92 3a4t s ALA 44 Cb 0.16 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 3a4t s ALA 44 CO 0.02 0.57 -0.08 -0.06 0.00 0.00 0.00 175.76 176.20 3a4t s PHE 45 N -0.96 0.74 0.06 0.00 0.08 -0.57 -4.21 117.98 113.13 3a4t s PHE 45 Ca 0.15 -0.28 -0.23 0.00 0.12 0.00 0.00 56.93 56.68 3a4t s PHE 45 Cb -0.10 -0.45 -0.06 0.00 -0.57 0.00 0.00 43.02 41.83 3a4t s PHE 45 CO 0.06 -0.02 0.71 -2.00 -0.10 0.00 0.00 175.22 173.86 3a4t s GLU 46 N -0.80 4.44 -0.71 0.44 2.12 0.20 -1.48 118.70 122.92 3a4t s GLU 46 Ca -0.02 0.98 -0.22 0.00 0.36 0.00 0.00 54.97 56.07 3a4t s GLU 46 Cb -0.06 -3.33 0.08 0.00 0.26 0.00 0.00 34.13 31.08 3a4t s GLU 46 CO 0.00 0.39 0.99 0.08 -0.54 0.00 0.00 175.26 176.18 3a4t s VAL 47 N -0.37 4.39 -0.04 3.70 1.01 0.61 -0.09 120.40 129.61 3a4t s VAL 47 Ca 0.35 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 3a4t s VAL 47 Cb -0.20 -4.70 -0.32 0.00 0.00 0.00 0.00 36.38 31.16 3a4t s VAL 47 CO 0.22 -1.47 0.91 0.11 0.00 0.00 0.00 175.10 174.87 3a4t h LYS 48 N 9.45 0.33 -3.51 2.72 1.79 -1.33 -3.40 116.57 122.62 3a4t h LYS 48 Ca -0.21 -0.57 -0.16 0.00 -2.18 0.00 0.00 60.65 57.53 3a4t h LYS 48 Cb 1.06 0.21 -0.22 0.00 -1.58 0.00 0.00 32.23 31.70 3a4t h LYS 48 CO 1.17 1.27 -0.52 -1.59 -1.08 0.00 0.00 179.45 178.71 3a4t s LYS 49 N -2.45 0.40 -0.05 3.15 0.00 -1.19 -4.98 119.74 114.61 3a4t s LYS 49 Ca -0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 55.97 55.54 3a4t s LYS 49 Cb 0.01 0.17 0.02 0.00 0.00 0.00 0.00 37.83 38.03 3a4t s LYS 49 CO 0.85 -0.09 0.12 0.45 0.00 0.00 0.00 175.35 176.68 3a4t s SER 50 N -1.03 -0.10 0.00 0.03 0.15 -1.26 0.43 113.70 111.92 3a4t s SER 50 Ca -0.11 0.24 0.10 0.00 0.70 0.00 0.00 55.95 56.88 3a4t s SER 50 Cb -0.06 0.19 0.57 0.00 -1.71 0.00 0.00 66.02 65.01 3a4t s SER 50 CO 0.01 -0.09 1.16 -0.81 1.20 0.00 0.00 173.24 174.71 3a4t n PRO 51 N 3.60 0.73 -3.81 5.44 -0.04 -1.26 -4.82 135.00 134.84 3a4t n PRO 51 Ca -0.19 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.17 3a4t n PRO 51 Cb 0.55 -1.21 -0.04 0.00 -0.04 0.00 0.00 33.50 32.77 3a4t n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3a4t s PHE 52 N -2.00 0.02 0.22 0.54 -0.71 -1.26 -5.14 117.98 109.64 3a4t s PHE 52 Ca 0.14 -0.37 -0.30 0.00 -1.04 0.00 0.00 56.93 55.36 3a4t s PHE 52 Cb 0.07 0.33 -0.09 0.00 -1.21 0.00 0.00 43.02 42.11 3a4t s PHE 52 CO 0.11 -0.92 1.28 -1.12 -1.34 0.00 0.00 175.22 173.23 3a4t s SER 53 N -2.91 6.93 0.65 1.98 0.01 -1.26 -4.90 113.70 114.20 3a4t s SER 53 Ca 0.12 2.41 0.43 0.00 1.31 0.00 0.00 55.95 60.22 3a4t s SER 53 Cb -0.01 -2.62 2.31 0.00 0.21 0.00 0.00 66.02 65.92 3a4t s SER 53 CO -0.00 -0.48 2.34 -0.29 0.41 0.00 0.00 173.24 175.21 3a4t h ILE 54 N 3.61 0.04 -0.53 1.44 6.09 -2.01 -1.57 117.51 124.59 3a4t h ILE 54 Ca -0.45 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 3a4t h ILE 54 Cb 1.22 1.05 0.00 0.00 0.47 0.00 0.00 36.82 39.55 3a4t h ILE 54 CO 0.75 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 176.44 3a4t n GLY 55 N -0.99 2.04 0.12 8.18 0.00 -1.26 -4.26 105.19 109.02 3a4t n GLY 55 Ca -0.03 -0.66 0.01 0.00 0.00 0.00 0.00 46.02 45.35 3a4t n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a4t n SER 56 N 0.92 2.13 -4.94 1.61 3.41 -0.59 -4.89 113.62 111.27 3a4t n SER 56 Ca 0.20 -1.95 -0.24 0.00 -0.26 0.00 0.00 58.87 56.62 3a4t n SER 56 Cb 0.67 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 3a4t n SER 56 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3a4t s THR 57 N -0.95 5.14 0.20 6.66 -4.23 -1.26 -5.00 115.64 116.20 3a4t s THR 57 Ca 0.04 -0.50 -0.10 0.00 -1.18 0.00 0.00 61.69 59.95 3a4t s THR 57 Cb 0.02 -3.84 0.13 0.00 1.34 0.00 0.00 72.50 70.16 3a4t s THR 57 CO 0.03 -0.45 1.82 1.55 -0.54 0.00 0.00 174.62 177.03 3a4t h PRO 58 N 1.06 0.70 -0.84 3.99 0.13 -1.96 -2.24 132.00 132.85 3a4t h PRO 58 Ca -0.50 -0.04 0.18 0.00 -0.87 0.00 0.00 66.00 64.77 3a4t h PRO 58 Cb 1.21 -0.16 -0.11 0.00 0.13 0.00 0.00 31.00 32.07 3a4t h PRO 58 CO 0.63 0.47 0.35 0.93 -0.23 0.00 0.00 178.00 180.14 3a4t h GLU 59 N 0.73 0.42 0.23 0.86 3.07 -1.97 0.24 114.58 118.16 3a4t h GLU 59 Ca 0.27 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.10 3a4t h GLU 59 Cb 0.10 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 3a4t h GLU 59 CO -0.14 0.28 -0.11 -0.92 -1.40 0.00 0.00 179.01 176.71 3a4t h TYR 60 N 0.43 -0.29 -0.14 4.33 5.03 -1.80 -0.88 116.97 123.66 3a4t h TYR 60 Ca 0.49 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.83 3a4t h TYR 60 Cb 0.85 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.21 3a4t h TYR 60 CO -0.16 0.02 0.18 -0.07 -1.32 0.00 0.00 178.16 176.81 3a4t h LEU 61 N -0.60 0.00 -0.13 2.82 3.38 -0.72 -0.10 115.31 119.95 3a4t h LEU 61 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3a4t h LEU 61 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3a4t h LEU 61 CO 0.05 0.00 -0.40 0.33 0.09 0.00 0.00 178.44 178.52 3a4t n PHE 62 N -3.68 0.00 -2.06 1.13 -0.00 0.76 -4.93 117.46 108.69 3a4t n PHE 62 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.44 3a4t n PHE 62 Cb 0.28 -0.23 -0.00 0.00 -0.00 0.00 0.00 39.48 39.54 3a4t n PHE 62 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3a4t n GLY 63 N 1.45 0.36 0.01 7.13 0.00 -0.05 -4.83 105.19 109.26 3a4t n GLY 63 Ca 0.08 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.40 3a4t n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a4t n TYR 64 N -3.91 0.11 -3.61 1.61 4.01 -0.36 -4.60 117.16 110.40 3a4t n TYR 64 Ca -0.01 0.03 -0.06 0.00 -0.16 0.00 0.00 57.90 57.70 3a4t n TYR 64 Cb 0.51 -0.50 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 3a4t n TYR 64 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 3a4t s TYR 65 N -3.02 -0.24 -0.18 -0.72 1.13 -1.26 -1.37 117.35 111.70 3a4t s TYR 65 Ca 0.13 0.04 -0.01 0.00 -1.41 0.00 0.00 57.07 55.82 3a4t s TYR 65 Cb 0.18 0.58 0.00 0.00 -1.10 0.00 0.00 41.96 41.62 3a4t s TYR 65 CO 0.58 -0.64 -0.13 1.41 -2.51 0.00 0.00 175.55 174.26 3a4t s MET 66 N -3.14 3.23 0.01 -3.49 -2.45 0.13 -4.80 119.30 108.78 3a4t s MET 66 Ca 0.08 -0.72 -0.30 0.00 -1.25 0.00 0.00 55.69 53.50 3a4t s MET 66 Cb -0.01 -2.74 -0.04 0.00 1.25 0.00 0.00 34.83 33.29 3a4t s MET 66 CO -0.04 -0.09 1.13 -2.14 1.05 0.00 0.00 175.02 174.93 3a4t s PRO 67 N 1.11 4.45 0.10 4.11 0.02 -1.26 -0.78 135.00 142.74 3a4t s PRO 67 Ca 0.00 1.63 -0.25 0.00 0.02 0.00 0.00 61.00 62.40 3a4t s PRO 67 Cb -0.14 -3.44 0.07 0.00 0.02 0.00 0.00 34.50 31.01 3a4t s PRO 67 CO -0.04 -0.25 0.63 1.14 -0.33 0.00 0.00 177.00 178.15 3a4t s GLN 68 N 1.37 1.21 0.79 5.54 -2.07 -1.05 -4.95 119.66 120.51 3a4t s GLN 68 Ca 0.56 -0.27 -0.13 0.00 -1.82 0.00 0.00 55.36 53.70 3a4t s GLN 68 Cb -0.25 0.56 0.07 0.00 -1.09 0.00 0.00 33.01 32.30 3a4t s GLN 68 CO 0.26 -0.50 1.16 -1.54 -1.32 0.00 0.00 175.29 173.36 3a4t s SER 69 N -2.33 3.89 0.29 12.60 1.04 -1.26 -3.74 113.70 124.20 3a4t s SER 69 Ca -0.02 2.20 0.01 0.00 0.48 0.00 0.00 55.95 58.62 3a4t s SER 69 Cb -0.01 -2.57 0.46 0.00 0.10 0.00 0.00 66.02 64.00 3a4t s SER 69 CO -0.07 -2.46 1.83 -0.29 0.98 0.00 0.00 173.24 173.23 3a4t h ILE 70 N -0.90 1.22 -1.00 -1.02 6.09 -1.93 -2.69 117.51 117.29 3a4t h ILE 70 Ca -0.45 -0.85 0.18 0.00 -1.37 0.00 0.00 64.86 62.36 3a4t h ILE 70 Cb 1.27 0.82 -0.10 0.00 0.47 0.00 0.00 36.82 39.28 3a4t h ILE 70 CO 0.48 0.30 0.61 0.28 -3.07 0.00 0.00 178.15 176.75 3a4t h SER 71 N 0.68 0.80 0.17 2.19 0.02 -1.91 -0.70 113.55 114.79 3a4t h SER 71 Ca 0.14 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3a4t h SER 71 Cb 0.35 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3a4t h SER 71 CO 0.01 0.30 -0.05 -1.54 -1.14 0.00 0.00 176.83 174.41 3a4t n SER 72 N -4.75 0.55 0.10 3.07 3.41 -1.01 -2.20 113.62 112.78 3a4t n SER 72 Ca 0.23 -0.90 0.12 0.00 -0.26 0.00 0.00 58.87 58.05 3a4t n SER 72 Cb 0.55 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.49 3a4t n SER 72 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3a4t h MET 73 N 0.79 0.00 -0.06 4.33 2.07 -1.17 -3.39 114.93 117.50 3a4t h MET 73 Ca 0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3a4t h MET 73 Cb 0.28 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.01 3a4t h MET 73 CO 0.00 0.00 0.03 0.82 1.07 0.00 0.00 176.91 178.83 3a4t h ILE 74 N 0.00 1.10 -0.19 -1.22 2.04 -1.40 -3.34 117.51 114.51 3a4t h ILE 74 Ca 0.00 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.58 3a4t h ILE 74 Cb 0.95 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 3a4t h ILE 74 CO 0.00 0.08 0.06 -0.65 0.00 0.00 0.00 178.15 177.65 3a4t h PRO 75 N -0.03 0.15 -0.28 2.37 0.11 -1.76 -0.98 132.00 131.58 3a4t h PRO 75 Ca 0.02 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 3a4t h PRO 75 Cb 0.11 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 3a4t h PRO 75 CO -0.00 0.10 0.05 -1.35 -0.21 0.00 0.00 178.00 176.58 3a4t h PRO 76 N 0.15 0.41 -0.47 1.05 0.11 -1.84 0.11 132.00 131.52 3a4t h PRO 76 Ca 0.08 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 3a4t h PRO 76 Cb 0.05 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 3a4t h PRO 76 CO -0.08 0.40 0.28 0.82 -0.21 0.00 0.00 178.00 179.21 3a4t h ILE 77 N 0.40 1.15 -0.40 4.15 5.03 -1.65 -1.54 117.51 124.66 3a4t h ILE 77 Ca 0.10 -0.34 -0.14 0.00 -0.12 0.00 0.00 64.86 64.35 3a4t h ILE 77 Cb 0.20 0.52 -0.01 0.00 -3.03 0.00 0.00 36.82 34.50 3a4t h ILE 77 CO -0.00 0.15 -0.31 0.58 -0.68 0.00 0.00 178.15 177.89 3a4t h VAL 78 N 0.63 1.27 -0.70 1.67 2.07 -0.43 -2.78 116.25 117.98 3a4t h VAL 78 Ca 0.17 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 3a4t h VAL 78 Cb -0.00 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3a4t h VAL 78 CO -0.03 0.49 0.36 0.25 0.02 0.00 0.00 177.57 178.66 3a4t h LEU 79 N 0.74 0.88 -2.80 2.57 5.85 -0.71 -3.48 115.31 118.36 3a4t h LEU 79 Ca 0.08 -0.08 -0.28 0.00 0.84 0.00 0.00 57.88 58.44 3a4t h LEU 79 Cb 0.87 -0.22 0.10 0.00 0.37 0.00 0.00 40.66 41.78 3a4t h LEU 79 CO 0.08 0.73 -0.71 -3.20 -0.34 0.00 0.00 178.44 175.00 3a4t n ASN 80 N -4.35 -6.33 -4.77 1.25 5.15 -0.59 -4.93 115.26 100.69 3a4t n ASN 80 Ca 0.07 -0.69 -0.41 0.00 -0.60 0.00 0.00 54.58 52.95 3a4t n ASN 80 Cb 0.12 -4.34 0.00 0.00 -0.53 0.00 0.00 39.78 35.04 3a4t n ASN 80 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3a4t s PRO 81 N -4.67 3.98 0.48 1.20 0.04 -1.26 -5.01 135.00 129.76 3a4t s PRO 81 Ca 0.33 2.51 -0.09 0.00 0.04 0.00 0.00 61.00 63.78 3a4t s PRO 81 Cb -0.08 -2.87 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 3a4t s PRO 81 CO 0.80 -0.61 0.83 1.03 0.04 0.00 0.00 177.00 179.09 3a4t s ARG 82 N -2.20 3.68 0.27 4.56 3.00 -1.26 -4.77 118.95 122.23 3a4t s ARG 82 Ca 0.55 0.46 -0.01 0.00 0.00 0.00 0.00 55.73 56.73 3a4t s ARG 82 Cb -0.45 -2.31 0.51 0.00 0.00 0.00 0.00 34.95 32.69 3a4t s ARG 82 CO 0.60 -0.20 1.81 0.93 0.00 0.00 0.00 175.30 178.44 3a4t h GLU 83 N 0.61 0.82 -0.67 3.54 5.08 -1.84 -2.42 114.58 119.70 3a4t h GLU 83 Ca -0.47 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3a4t h GLU 83 Cb 1.19 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3a4t h GLU 83 CO 0.63 0.55 0.00 -0.25 -1.00 0.00 0.00 179.01 178.93 3a4t n ASP 84 N -4.71 4.07 -4.74 1.42 9.92 -1.26 -2.52 116.55 118.73 3a4t n ASP 84 Ca 0.17 -2.20 -0.31 0.00 -0.53 0.00 0.00 54.79 51.93 3a4t n ASP 84 Cb 0.36 -0.51 0.11 0.00 -0.64 0.00 0.00 41.12 40.44 3a4t n ASP 84 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3a4t s ASP 85 N -0.93 4.07 -0.32 -2.24 1.01 -0.91 -4.65 116.67 112.69 3a4t s ASP 85 Ca 0.47 1.75 -0.05 0.00 0.71 0.00 0.00 52.55 55.43 3a4t s ASP 85 Cb 0.27 -2.42 0.04 0.00 1.01 0.00 0.00 42.92 41.82 3a4t s ASP 85 CO 0.27 -2.30 0.07 0.12 0.21 0.00 0.00 175.17 173.54 3a4t s PHE 86 N -2.89 3.23 -0.03 4.23 5.36 -1.26 -1.99 117.98 124.63 3a4t s PHE 86 Ca 0.62 -1.47 0.05 0.00 -0.96 0.00 0.00 56.93 55.17 3a4t s PHE 86 Cb -0.18 -2.22 -0.03 0.00 -0.34 0.00 0.00 43.02 40.25 3a4t s PHE 86 CO 0.57 -0.73 -0.16 0.42 -1.46 0.00 0.00 175.22 173.86 3a4t s ILE 87 N 1.38 2.93 -0.13 3.12 -1.09 0.06 -0.52 121.20 126.95 3a4t s ILE 87 Ca -0.02 -0.83 -0.03 0.00 -2.23 0.00 0.00 60.65 57.55 3a4t s ILE 87 Cb -0.19 -2.15 -0.03 0.00 -1.58 0.00 0.00 42.46 38.51 3a4t s ILE 87 CO 0.01 0.55 -0.04 -0.22 -1.23 0.00 0.00 174.94 174.02 3a4t s LEU 88 N -0.83 3.29 -0.43 2.97 2.96 -0.69 -1.80 118.68 124.14 3a4t s LEU 88 Ca 0.12 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.94 3a4t s LEU 88 Cb -0.11 -1.77 0.12 0.00 0.50 0.00 0.00 46.19 44.93 3a4t s LEU 88 CO 0.01 0.23 0.23 -0.62 -1.32 0.00 0.00 176.35 174.88 3a4t s ASP 89 N -0.02 5.19 0.24 3.68 3.68 0.24 0.14 116.67 129.82 3a4t s ASP 89 Ca 0.01 -2.18 0.03 0.00 2.13 0.00 0.00 52.55 52.54 3a4t s ASP 89 Cb -0.13 -1.81 0.27 0.00 -1.45 0.00 0.00 42.92 39.79 3a4t s ASP 89 CO 0.03 -0.50 1.59 0.24 0.13 0.00 0.00 175.17 176.65 3a4t h MET 90 N 7.84 0.35 -2.68 4.34 2.86 -1.46 -0.06 114.93 126.13 3a4t h MET 90 Ca -0.11 -0.21 -0.59 0.00 -2.06 0.00 0.00 59.70 56.74 3a4t h MET 90 Cb 1.03 0.02 -0.39 0.00 0.06 0.00 0.00 31.60 32.31 3a4t h MET 90 CO 0.69 0.78 -0.83 0.00 1.06 0.00 0.00 176.91 178.61 3a4t n ALA 92 N 3.66 1.24 -1.77 0.00 0.00 0.30 -4.68 120.51 119.27 3a4t n ALA 92 Ca 0.14 -0.80 -0.35 0.00 0.00 0.00 0.00 53.44 52.43 3a4t n ALA 92 Cb 0.38 -0.62 0.01 0.00 0.00 0.00 0.00 19.45 19.21 3a4t n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a4t s ALA 93 N -2.56 2.70 -2.01 0.00 0.00 -1.26 -1.68 121.76 116.94 3a4t s ALA 93 Ca -0.16 0.87 0.31 0.00 0.00 0.00 0.00 51.96 52.98 3a4t s ALA 93 Cb 0.07 -3.38 1.74 0.00 0.00 0.00 0.00 23.12 21.55 3a4t s ALA 93 CO 0.78 -0.83 2.14 -0.35 0.00 0.00 0.00 175.76 177.50 3a4t n PRO 94 N -1.27 1.04 0.00 0.00 -0.04 -1.26 -4.91 135.00 128.55 3a4t n PRO 94 Ca 0.12 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3a4t n PRO 94 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 3a4t n PRO 94 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3a4t n GLY 95 N 1.05 1.29 0.33 0.55 0.00 -0.67 -3.45 105.19 104.29 3a4t n GLY 95 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 3a4t n GLY 95 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3a4t h GLY 96 N 0.00 -0.82 1.83 -0.02 0.00 -1.91 -1.93 103.07 100.21 3a4t h GLY 96 Ca 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.54 3a4t h GLY 96 CO 0.00 -0.30 -0.37 0.50 0.00 0.00 0.00 176.54 176.37 3a4t h LYS 97 N -0.86 0.20 -0.26 4.80 1.57 -1.87 -2.69 116.57 117.45 3a4t h LYS 97 Ca -0.08 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 3a4t h LYS 97 Cb 0.63 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3a4t h LYS 97 CO 0.13 0.54 -0.40 1.15 -0.57 0.00 0.00 179.45 180.31 3a4t h THR 98 N 0.17 1.30 -0.00 -0.16 2.02 -1.83 -0.82 112.91 113.59 3a4t h THR 98 Ca 0.02 -1.56 -0.15 0.00 0.77 0.00 0.00 66.41 65.48 3a4t h THR 98 Cb 0.74 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 3a4t h THR 98 CO 0.06 0.50 -0.71 0.71 0.37 0.00 0.00 175.52 176.44 3a4t h THR 99 N 0.51 1.51 0.52 3.16 1.35 -1.35 -1.76 112.91 116.85 3a4t h THR 99 Ca 0.04 -2.43 -0.03 0.00 -0.55 0.00 0.00 66.41 63.45 3a4t h THR 99 Cb 0.91 2.31 0.01 0.00 -1.73 0.00 0.00 68.15 69.65 3a4t h THR 99 CO 0.08 0.70 -0.25 -0.74 -0.25 0.00 0.00 175.52 175.06 3a4t h HIS 100 N 0.01 -0.64 -0.73 4.73 6.17 -1.35 -0.67 115.15 122.67 3a4t h HIS 100 Ca -0.01 -0.02 0.15 0.00 0.71 0.00 0.00 60.37 61.21 3a4t h HIS 100 Cb 1.26 0.21 -0.13 0.00 2.52 0.00 0.00 27.41 31.27 3a4t h HIS 100 CO 0.00 -0.33 -0.12 -0.07 0.71 0.00 0.00 177.93 178.12 3a4t h LEU 101 N -0.87 -0.57 -0.64 0.26 3.38 -1.16 0.03 115.31 115.74 3a4t h LEU 101 Ca -0.07 0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3a4t h LEU 101 Cb 0.60 0.41 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 3a4t h LEU 101 CO 0.12 -0.22 0.20 0.00 0.09 0.00 0.00 178.44 178.62 3a4t h ALA 102 N 1.71 0.84 -0.74 1.53 0.00 -1.13 -1.91 119.26 119.56 3a4t h ALA 102 Ca 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3a4t h ALA 102 Cb 0.59 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3a4t h ALA 102 CO -0.71 0.51 0.33 -0.56 0.00 0.00 0.00 179.25 178.82 3a4t h GLN 103 N 0.92 1.08 -0.09 0.00 3.07 -0.64 -0.66 115.11 118.79 3a4t h GLN 103 Ca 0.21 -0.17 0.02 0.00 0.09 0.00 0.00 58.65 58.80 3a4t h GLN 103 Cb 0.30 -0.19 -0.00 0.00 0.08 0.00 0.00 27.48 27.67 3a4t h GLN 103 CO -0.01 0.86 0.09 -0.07 0.09 0.00 0.00 178.83 179.79 3a4t h LEU 104 N 1.04 0.00 -2.28 0.06 3.38 -0.43 -2.21 115.31 114.86 3a4t h LEU 104 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3a4t h LEU 104 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3a4t h LEU 104 CO -0.03 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.73 3a4t n MET 105 N -3.96 2.29 -4.08 1.13 2.81 -0.77 -4.72 117.12 109.82 3a4t n MET 105 Ca -0.01 -2.11 -0.32 0.00 -1.81 0.00 0.00 57.70 53.45 3a4t n MET 105 Cb 0.19 -1.44 -0.01 0.00 -0.71 0.00 0.00 33.22 31.25 3a4t n MET 105 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3a4t n LYS 106 N 1.25 -3.91 -1.20 0.03 5.02 -0.58 -1.27 118.16 117.51 3a4t n LYS 106 Ca 0.16 0.45 -0.07 0.00 -2.02 0.00 0.00 58.31 56.84 3a4t n LYS 106 Cb 0.54 -5.12 -0.03 0.00 -0.02 0.00 0.00 35.03 30.40 3a4t n LYS 106 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3a4t n ASN 107 N -2.77 -4.57 -4.98 4.39 3.02 -0.36 -5.01 115.26 104.97 3a4t n ASN 107 Ca -0.01 0.17 -0.19 0.00 -0.03 0.00 0.00 54.58 54.52 3a4t n ASN 107 Cb 0.54 -2.67 0.01 0.00 -0.61 0.00 0.00 39.78 37.05 3a4t n ASN 107 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3a4t s LYS 108 N -2.20 2.62 3.11 3.52 1.02 -0.39 -4.37 119.74 123.04 3a4t s LYS 108 Ca 0.00 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.55 3a4t s LYS 108 Cb 0.00 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 3a4t s LYS 108 CO 0.00 -0.42 0.00 0.41 -0.92 0.00 0.00 175.35 174.42 3a4t n GLY 109 N -1.88 0.37 2.90 -3.33 0.00 -1.05 -4.76 105.19 97.44 3a4t n GLY 109 Ca 0.08 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 3a4t n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a4t s THR 110 N 0.00 -0.05 -0.17 2.61 2.01 -0.84 -4.78 115.64 114.43 3a4t s THR 110 Ca 0.00 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 3a4t s THR 110 Cb 0.00 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 3a4t s THR 110 CO 0.00 0.07 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.31 3a4t s ILE 111 N 1.02 3.58 -0.37 1.82 1.01 0.60 -0.76 121.20 128.11 3a4t s ILE 111 Ca -0.08 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 3a4t s ILE 111 Cb -0.11 -2.57 0.03 0.00 0.01 0.00 0.00 42.46 39.82 3a4t s ILE 111 CO -0.05 0.48 0.18 -0.69 0.00 0.00 0.00 174.94 174.87 3a4t s VAL 112 N 0.64 4.39 -0.27 2.92 1.01 -0.74 0.92 120.40 129.26 3a4t s VAL 112 Ca -0.04 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 3a4t s VAL 112 Cb -0.15 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3a4t s VAL 112 CO 0.02 -0.23 0.16 0.00 0.00 0.00 0.00 175.10 175.06 3a4t s ALA 113 N 1.52 3.44 -0.08 5.51 0.00 -0.16 -0.59 121.76 131.40 3a4t s ALA 113 Ca 0.01 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 3a4t s ALA 113 Cb -0.19 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 3a4t s ALA 113 CO 0.06 -0.55 -0.05 0.08 0.00 0.00 0.00 175.76 175.30 3a4t s VAL 114 N 1.72 3.86 0.00 0.00 1.01 -0.03 -1.43 120.40 125.53 3a4t s VAL 114 Ca 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3a4t s VAL 114 Cb -0.16 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 3a4t s VAL 114 CO 0.09 0.60 -0.04 -0.70 0.00 0.00 0.00 175.10 175.04 3a4t s GLU 115 N -0.78 0.35 -0.01 2.72 2.56 -0.37 -0.54 118.70 122.63 3a4t s GLU 115 Ca 0.12 -0.24 -0.20 0.00 0.00 0.00 0.00 54.97 54.65 3a4t s GLU 115 Cb -0.11 -0.30 -0.27 0.00 2.00 0.00 0.00 34.13 35.46 3a4t s GLU 115 CO 0.02 0.08 1.03 0.97 -0.56 0.00 0.00 175.26 176.79 3a4t h ILE 116 N 4.97 1.45 -2.94 -3.70 2.10 -1.83 -1.75 117.51 115.80 3a4t h ILE 116 Ca -0.28 -2.26 -0.54 0.00 1.08 0.00 0.00 64.86 62.85 3a4t h ILE 116 Cb 1.20 2.81 -0.00 0.00 -1.09 0.00 0.00 36.82 39.74 3a4t h ILE 116 CO 0.49 0.65 0.81 -0.55 -1.08 0.00 0.00 178.15 178.47 3a4t s SER 117 N -6.87 6.88 0.21 2.19 0.15 -1.26 -4.47 113.70 110.52 3a4t s SER 117 Ca -0.13 2.07 -0.10 0.00 0.70 0.00 0.00 55.95 58.49 3a4t s SER 117 Cb 0.03 -2.56 0.16 0.00 -1.71 0.00 0.00 66.02 61.94 3a4t s SER 117 CO 0.83 -0.70 1.87 0.50 1.20 0.00 0.00 173.24 176.94 3a4t h LYS 118 N 7.75 0.92 0.27 5.44 3.64 -1.99 -1.45 116.57 131.15 3a4t h LYS 118 Ca -0.37 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 3a4t h LYS 118 Cb 1.18 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3a4t h LYS 118 CO 0.90 0.61 -0.13 1.15 -2.27 0.00 0.00 179.45 179.71 3a4t h THR 119 N 0.95 0.77 0.00 1.00 2.02 -2.00 -3.24 112.91 112.41 3a4t h THR 119 Ca 0.27 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3a4t h THR 119 Cb -0.07 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3a4t h THR 119 CO -0.08 0.11 -0.07 0.03 0.37 0.00 0.00 175.52 175.88 3a4t h ARG 120 N -0.65 0.00 -0.88 6.66 3.08 -1.96 -2.27 114.38 118.35 3a4t h ARG 120 Ca -0.04 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.05 3a4t h ARG 120 Cb 0.46 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 3a4t h ARG 120 CO 0.06 0.07 0.58 1.15 -1.07 0.00 0.00 179.97 180.76 3a4t h THR 121 N 0.00 1.13 -0.57 2.04 2.02 -1.29 -1.22 112.91 115.02 3a4t h THR 121 Ca -0.00 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3a4t h THR 121 Cb 0.13 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.46 3a4t h THR 121 CO 0.01 0.20 0.30 0.11 0.37 0.00 0.00 175.52 176.51 3a4t h LYS 122 N 1.09 0.79 -0.03 6.66 1.57 -1.43 0.99 116.57 126.21 3a4t h LYS 122 Ca 0.36 -0.08 -0.22 0.00 -1.87 0.00 0.00 60.65 58.83 3a4t h LYS 122 Cb 0.05 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3a4t h LYS 122 CO -0.11 0.59 -0.90 0.00 -0.57 0.00 0.00 179.45 178.46 3a4t h ALA 123 N 1.54 0.38 0.19 3.86 0.00 -1.31 -1.83 119.26 122.09 3a4t h ALA 123 Ca 0.20 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3a4t h ALA 123 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3a4t h ALA 123 CO -0.03 0.78 -0.09 1.25 0.00 0.00 0.00 179.25 181.16 3a4t h LEU 124 N 0.28 -0.22 -0.64 0.00 5.85 -1.00 -1.20 115.31 118.38 3a4t h LEU 124 Ca -0.07 -0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.67 3a4t h LEU 124 Cb 1.53 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.52 3a4t h LEU 124 CO 0.16 -0.02 0.11 0.11 -0.34 0.00 0.00 178.44 178.45 3a4t h LYS 125 N -0.41 0.22 -0.61 1.25 1.57 -0.83 -0.03 116.57 117.73 3a4t h LYS 125 Ca -0.03 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3a4t h LYS 125 Cb 0.32 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3a4t h LYS 125 CO 0.04 0.14 0.37 1.03 -0.57 0.00 0.00 179.45 180.47 3a4t h SER 126 N 0.22 0.72 -0.06 0.86 0.87 -1.32 0.38 113.55 115.22 3a4t h SER 126 Ca 0.34 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 3a4t h SER 126 Cb 0.54 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 3a4t h SER 126 CO -0.46 0.56 -0.01 0.78 -0.53 0.00 0.00 176.83 177.16 3a4t h ASN 127 N 0.82 0.11 -0.47 6.23 -0.26 -0.53 0.43 115.58 121.91 3a4t h ASN 127 Ca 0.22 -0.35 0.10 0.00 -0.56 0.00 0.00 56.30 55.70 3a4t h ASN 127 Cb -0.04 -0.03 -0.09 0.00 -1.06 0.00 0.00 38.32 37.10 3a4t h ASN 127 CO -0.04 0.44 -0.15 0.40 -1.06 0.00 0.00 177.43 177.02 3a4t h ILE 128 N -0.21 0.47 -0.40 2.81 1.08 -0.93 -0.73 117.51 119.60 3a4t h ILE 128 Ca 0.02 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.38 3a4t h ILE 128 Cb 0.39 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 3a4t h ILE 128 CO 0.01 0.00 -0.16 0.78 -0.69 0.00 0.00 178.15 178.09 3a4t h ASN 129 N -0.04 0.84 -0.33 1.72 2.35 -0.02 -1.92 115.58 118.17 3a4t h ASN 129 Ca 0.23 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 3a4t h ASN 129 Cb 0.39 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3a4t h ASN 129 CO -0.51 1.04 0.19 -0.09 -1.65 0.00 0.00 177.43 176.41 3a4t h ARG 130 N 0.63 0.47 -0.01 0.81 2.43 0.22 -2.83 114.38 116.10 3a4t h ARG 130 Ca 0.09 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3a4t h ARG 130 Cb 0.71 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3a4t h ARG 130 CO 0.05 0.35 -0.24 -1.33 -1.51 0.00 0.00 179.97 177.30 3a4t n MET 131 N -4.45 1.22 -1.62 0.20 2.81 -0.31 -3.48 117.12 111.49 3a4t n MET 131 Ca 0.02 -0.83 -0.03 0.00 -1.81 0.00 0.00 57.70 55.05 3a4t n MET 131 Cb 0.09 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.11 3a4t n MET 131 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a4t n GLY 132 N 1.33 0.42 3.73 3.03 0.00 -1.07 -4.80 105.19 107.82 3a4t n GLY 132 Ca 0.13 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 3a4t n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4t s VAL 133 N -2.15 4.92 0.00 1.61 1.01 -0.74 -4.94 120.40 120.11 3a4t s VAL 133 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.56 3a4t s VAL 133 Cb 0.00 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3a4t s VAL 133 CO 0.00 0.28 0.00 0.18 0.00 0.00 0.00 175.10 175.56 3a4t n LEU 134 N 3.47 0.00 -1.39 3.92 4.77 -1.26 -4.71 117.00 121.79 3a4t n LEU 134 Ca -0.01 -0.37 0.09 0.00 -0.03 0.00 0.00 56.01 55.69 3a4t n LEU 134 Cb 0.51 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.91 3a4t n LEU 134 CO 0.48 0.00 0.76 -0.46 -1.33 0.00 0.00 177.39 176.84 3a4t n ASN 135 N -1.13 4.10 -4.40 -1.43 6.94 -1.26 -4.96 115.26 113.11 3a4t n ASN 135 Ca 0.00 -2.30 -0.33 0.00 -0.02 0.00 0.00 54.58 51.94 3a4t n ASN 135 Cb 0.00 -0.52 -0.14 0.00 -2.36 0.00 0.00 39.78 36.76 3a4t n ASN 135 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3a4t s THR 136 N -1.64 3.02 -0.25 5.53 2.01 -1.26 -0.29 115.64 122.76 3a4t s THR 136 Ca 0.45 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.68 3a4t s THR 136 Cb 0.28 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 3a4t s THR 136 CO 0.24 0.55 0.09 -0.63 -0.69 0.00 0.00 174.62 174.17 3a4t s ILE 137 N 0.03 4.49 -0.19 1.82 1.01 0.26 -4.95 121.20 123.67 3a4t s ILE 137 Ca -0.05 -0.11 -0.14 0.00 0.00 0.00 0.00 60.65 60.36 3a4t s ILE 137 Cb -0.14 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3a4t s ILE 137 CO 0.04 0.33 0.29 -0.63 0.00 0.00 0.00 174.94 174.98 3a4t s ILE 138 N 1.57 5.29 -0.12 2.92 1.01 -1.26 -0.99 121.20 129.62 3a4t s ILE 138 Ca 0.06 0.51 0.01 0.00 0.00 0.00 0.00 60.65 61.24 3a4t s ILE 138 Cb -0.15 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.71 3a4t s ILE 138 CO 0.05 0.34 -0.15 -0.63 0.00 0.00 0.00 174.94 174.55 3a4t s ILE 139 N 0.82 1.52 -0.46 2.92 1.01 -0.51 -4.99 121.20 121.50 3a4t s ILE 139 Ca 0.15 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 59.97 3a4t s ILE 139 Cb -0.13 -1.40 0.04 0.00 0.01 0.00 0.00 42.46 40.97 3a4t s ILE 139 CO 0.05 0.45 0.61 0.21 0.00 0.00 0.00 174.94 176.26 3a4t s ASN 140 N 1.13 6.27 0.01 3.58 2.47 -1.26 -1.23 114.94 125.90 3a4t s ASN 140 Ca -0.03 -0.60 -0.29 0.00 0.42 0.00 0.00 52.86 52.36 3a4t s ASN 140 Cb -0.14 -2.30 0.10 0.00 -1.45 0.00 0.00 41.25 37.46 3a4t s ASN 140 CO -0.04 -0.80 0.96 0.00 -3.72 0.00 0.00 177.10 173.49 3a4t s ALA 141 N 2.67 -1.83 -0.29 1.71 0.00 -0.66 -4.96 121.76 118.40 3a4t s ALA 141 Ca 0.18 0.85 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 3a4t s ALA 141 Cb -0.16 0.41 -0.00 0.00 0.00 0.00 0.00 23.12 23.37 3a4t s ALA 141 CO 0.16 -0.78 1.38 0.34 0.00 0.00 0.00 175.76 176.86 3a4t s ASP 142 N -2.58 6.59 0.39 0.00 -1.08 -1.26 -2.84 116.67 115.88 3a4t s ASP 142 Ca 0.08 1.28 0.12 0.00 -0.52 0.00 0.00 52.55 53.51 3a4t s ASP 142 Cb -0.01 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.84 3a4t s ASP 142 CO -0.06 -1.14 1.90 -0.03 0.52 0.00 0.00 175.17 176.36 3a4t h MET 143 N 9.70 0.55 0.00 4.34 1.85 -1.93 0.11 114.93 129.55 3a4t h MET 143 Ca -0.28 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.78 3a4t h MET 143 Cb 1.11 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 33.02 3a4t h MET 143 CO 1.03 0.36 0.00 0.54 -0.40 0.00 0.00 176.91 178.44 3a4t n ARG 144 N -4.52 0.11 0.00 0.39 1.74 -1.26 -1.39 116.66 111.73 3a4t n ARG 144 Ca 0.16 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 3a4t n ARG 144 Cb 0.48 -1.83 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3a4t n ARG 144 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3a4t n LYS 145 N -2.06 1.88 -0.08 5.56 2.85 -0.28 -4.62 118.16 121.42 3a4t n LYS 145 Ca -0.00 0.00 0.15 0.00 -1.05 0.00 0.00 58.31 57.41 3a4t n LYS 145 Cb 0.07 -0.94 0.55 0.00 -0.65 0.00 0.00 35.03 34.06 3a4t n LYS 145 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 3a4t h TYR 146 N 0.00 0.33 0.00 5.58 3.20 -0.73 -2.39 116.97 122.96 3a4t h TYR 146 Ca 0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3a4t h TYR 146 Cb 0.89 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 3a4t h TYR 146 CO 0.00 0.14 -0.12 1.57 -1.64 0.00 0.00 178.16 178.11 3a4t h LYS 147 N 0.30 0.00 -0.37 1.82 5.09 -1.48 -1.83 116.57 120.09 3a4t h LYS 147 Ca 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 61.01 3a4t h LYS 147 Cb 0.73 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.04 3a4t h LYS 147 CO -0.07 0.12 0.15 -0.44 -2.09 0.00 0.00 179.45 177.12 3a4t h ASP 148 N 0.00 0.52 -0.79 7.07 3.32 -1.71 0.35 116.42 125.18 3a4t h ASP 148 Ca -0.00 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 3a4t h ASP 148 Cb 0.23 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 3a4t h ASP 148 CO 0.02 0.54 0.40 0.22 -1.72 0.00 0.00 179.24 178.70 3a4t h TYR 149 N 0.46 1.12 -0.37 4.55 3.20 -1.46 -1.61 116.97 122.84 3a4t h TYR 149 Ca 0.12 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 3a4t h TYR 149 Cb 0.19 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 3a4t h TYR 149 CO -0.00 0.79 0.14 -0.07 -1.64 0.00 0.00 178.16 177.39 3a4t h LEU 150 N 1.12 0.51 -0.29 2.82 3.38 -0.76 -2.57 115.31 119.53 3a4t h LEU 150 Ca 0.28 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.87 3a4t h LEU 150 Cb 0.08 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3a4t h LEU 150 CO -0.04 0.54 -0.74 -0.07 0.09 0.00 0.00 178.44 178.23 3a4t h LEU 151 N 0.45 0.72 -1.07 1.67 3.38 -0.13 -1.06 115.31 119.28 3a4t h LEU 151 Ca 0.12 -0.47 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 3a4t h LEU 151 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3a4t h LEU 151 CO -0.01 1.24 -0.33 0.07 0.09 0.00 0.00 178.44 179.50 3a4t h LYS 152 N 0.42 0.25 -0.11 1.13 2.10 -1.33 -1.81 116.57 117.22 3a4t h LYS 152 Ca -0.04 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 3a4t h LYS 152 Cb 1.34 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 3a4t h LYS 152 CO 0.14 0.55 0.00 0.09 -2.00 0.00 0.00 179.45 178.24 3a4t n ASN 153 N -4.10 1.27 -3.93 7.07 3.02 -0.97 -4.96 115.26 112.67 3a4t n ASN 153 Ca -0.01 -1.61 -0.30 0.00 -0.03 0.00 0.00 54.58 52.63 3a4t n ASN 153 Cb 0.42 -0.07 0.02 0.00 -0.61 0.00 0.00 39.78 39.54 3a4t n ASN 153 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3a4t n GLU 154 N 0.05 -5.12 -3.15 3.52 1.02 -0.46 -4.93 120.64 111.57 3a4t n GLU 154 Ca 0.16 0.57 -0.44 0.00 -0.02 0.00 0.00 57.16 57.42 3a4t n GLU 154 Cb 0.27 -5.38 -0.05 0.00 -0.02 0.00 0.00 31.44 26.26 3a4t n GLU 154 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3a4t s ILE 155 N -3.36 4.87 0.26 -3.67 1.01 -0.82 -5.05 121.20 114.45 3a4t s ILE 155 Ca 0.59 -0.90 0.10 0.00 0.00 0.00 0.00 60.65 60.44 3a4t s ILE 155 Cb -0.30 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.71 3a4t s ILE 155 CO 0.84 -1.00 -0.07 -0.36 0.00 0.00 0.00 174.94 174.35 3a4t s PHE 156 N 2.56 2.57 0.08 3.97 0.08 -1.26 -4.69 117.98 121.29 3a4t s PHE 156 Ca 0.12 -0.26 0.06 0.00 0.12 0.00 0.00 56.93 56.97 3a4t s PHE 156 Cb -0.23 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 3a4t s PHE 156 CO 0.08 0.64 -0.09 -0.06 -0.10 0.00 0.00 175.22 175.68 3a4t s PHE 157 N -2.32 2.77 0.10 0.36 0.08 -0.12 -4.76 117.98 114.08 3a4t s PHE 157 Ca 0.30 -0.14 -0.14 0.00 0.12 0.00 0.00 56.93 57.07 3a4t s PHE 157 Cb -0.06 -1.47 -0.09 0.00 -0.57 0.00 0.00 43.02 40.82 3a4t s PHE 157 CO 0.18 0.41 1.40 -0.44 -0.10 0.00 0.00 175.22 176.67 3a4t h ASP 158 N 3.80 0.79 -5.09 1.36 5.19 -1.14 -0.86 116.42 120.47 3a4t h ASP 158 Ca -0.49 -0.50 -0.15 0.00 -0.62 0.00 0.00 57.03 55.28 3a4t h ASP 158 Cb 1.17 -0.22 -0.18 0.00 0.18 0.00 0.00 39.33 40.27 3a4t h ASP 158 CO 0.53 1.13 -0.68 -0.54 -3.12 0.00 0.00 179.24 176.56 3a4t s LYS 159 N -4.26 0.45 -0.04 3.56 1.02 -1.21 -2.65 119.74 116.61 3a4t s LYS 159 Ca -0.12 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.04 3a4t s LYS 159 Cb 0.09 0.16 0.01 0.00 -0.52 0.00 0.00 37.83 37.56 3a4t s LYS 159 CO 0.84 -0.08 -0.10 0.42 -0.92 0.00 0.00 175.35 175.51 3a4t s ILE 160 N -2.49 0.86 -0.38 2.17 1.01 -0.00 -1.71 121.20 120.66 3a4t s ILE 160 Ca -0.06 -0.38 -0.14 0.00 0.00 0.00 0.00 60.65 60.07 3a4t s ILE 160 Cb -0.02 -0.78 0.01 0.00 0.01 0.00 0.00 42.46 41.68 3a4t s ILE 160 CO -0.05 0.27 0.26 -0.22 0.00 0.00 0.00 174.94 175.21 3a4t s LEU 161 N 0.35 4.83 -1.03 2.97 0.20 0.12 -1.50 118.68 124.62 3a4t s LEU 161 Ca -0.06 -0.75 -0.14 0.00 0.69 0.00 0.00 54.13 53.87 3a4t s LEU 161 Cb -0.11 -2.13 0.20 0.00 -0.43 0.00 0.00 46.19 43.73 3a4t s LEU 161 CO 0.01 -0.37 1.13 -0.22 -0.29 0.00 0.00 176.35 176.62 3a4t s LEU 162 N 1.67 5.77 -0.96 -0.68 0.20 0.23 -1.27 118.68 123.64 3a4t s LEU 162 Ca 0.05 -2.86 -0.15 0.00 0.69 0.00 0.00 54.13 51.86 3a4t s LEU 162 Cb -0.18 -2.31 0.19 0.00 -0.43 0.00 0.00 46.19 43.46 3a4t s LEU 162 CO 0.10 -0.66 1.04 -0.62 -0.29 0.00 0.00 176.35 175.91 3a4t s ASP 163 N 2.48 6.84 0.56 3.68 2.15 -1.26 -0.91 116.67 130.21 3a4t s ASP 163 Ca 0.32 -2.63 -0.20 0.00 0.43 0.00 0.00 52.55 50.47 3a4t s ASP 163 Cb -0.07 -2.30 -0.05 0.00 -0.30 0.00 0.00 42.92 40.20 3a4t s ASP 163 CO -0.06 -0.73 1.18 0.00 -0.17 0.00 0.00 175.17 175.39 3a4t s ALA 164 N 1.05 2.66 0.64 3.66 0.00 0.06 -4.55 121.76 125.27 3a4t s ALA 164 Ca 0.28 0.95 -0.18 0.00 0.00 0.00 0.00 51.96 53.02 3a4t s ALA 164 Cb -0.07 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 3a4t s ALA 164 CO -0.08 -0.97 1.22 -1.25 0.00 0.00 0.00 175.76 174.68 3a4t s PRO 165 N -3.23 2.69 0.29 0.00 0.04 -1.26 -4.42 135.00 129.11 3a4t s PRO 165 Ca 0.74 1.84 0.06 0.00 0.04 0.00 0.00 61.00 63.68 3a4t s PRO 165 Cb -0.28 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 3a4t s PRO 165 CO 0.31 -1.43 -0.03 0.00 0.04 0.00 0.00 177.00 175.89 3a4t h SER 167 N 2.25 0.00 0.00 0.00 4.64 -1.91 -3.04 113.55 115.50 3a4t h SER 167 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3a4t h SER 167 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3a4t h SER 167 CO 0.68 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 3a4t n GLY 168 N -0.59 -0.66 0.00 -0.77 0.00 -1.26 -5.00 105.19 96.91 3a4t n GLY 168 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3a4t n GLY 168 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a4t n ASN 169 N -0.98 0.33 0.00 1.61 3.02 -1.15 -5.18 115.26 112.90 3a4t n ASN 169 Ca 0.15 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3a4t n ASN 169 Cb 0.07 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 3a4t n ASN 169 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3a4t n ASP 182 N -0.03 0.00 0.00 6.41 9.92 -1.26 -5.01 116.55 126.58 3a4t n ASP 182 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3a4t n ASP 182 Cb 0.15 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 3a4t n ASP 182 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3a4t n ILE 183 N 0.00 0.00 -2.66 0.53 -0.00 -1.26 -2.60 119.36 113.37 3a4t n ILE 183 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 62.75 62.33 3a4t n ILE 183 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.61 3a4t n ILE 183 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.55 174.96 3a4t s LYS 184 N 0.00 3.20 -1.01 0.38 0.00 -1.26 -1.46 119.74 119.58 3a4t s LYS 184 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 55.97 55.43 3a4t s LYS 184 Cb 0.00 -4.29 0.32 0.00 0.00 0.00 0.00 37.83 33.86 3a4t s LYS 184 CO 0.00 -2.04 1.84 0.66 0.00 0.00 0.00 175.35 175.82 3a4t n TYR 185 N 8.73 2.79 -0.09 1.78 4.01 -1.07 -4.72 117.16 128.59 3a4t n TYR 185 Ca 0.03 -2.55 0.15 0.00 -0.16 0.00 0.00 57.90 55.38 3a4t n TYR 185 Cb 0.48 -1.20 0.55 0.00 -0.31 0.00 0.00 39.34 38.86 3a4t n TYR 185 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a4t h SER 187 N 0.31 0.93 -0.61 0.00 0.87 -1.84 -1.43 113.55 111.79 3a4t h SER 187 Ca 0.30 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.75 3a4t h SER 187 Cb 0.75 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 3a4t h SER 187 CO -0.07 0.65 0.00 0.25 -0.53 0.00 0.00 176.83 177.13 3a4t h LEU 188 N 1.10 1.05 -0.50 2.23 5.85 -1.90 -0.53 115.31 122.60 3a4t h LEU 188 Ca 0.33 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 3a4t h LEU 188 Cb -0.04 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 3a4t h LEU 188 CO -0.10 1.10 -0.02 0.03 -0.34 0.00 0.00 178.44 179.10 3a4t h ARG 189 N 0.98 0.90 -0.65 1.25 3.08 -1.49 -2.50 114.38 115.94 3a4t h ARG 189 Ca 0.17 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 3a4t h ARG 189 Cb 0.56 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3a4t h ARG 189 CO 0.03 0.94 0.20 1.96 -1.07 0.00 0.00 179.97 182.03 3a4t h GLN 190 N 0.76 0.99 0.12 0.04 4.20 -1.12 -0.67 115.11 119.43 3a4t h GLN 190 Ca 0.14 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3a4t h GLN 190 Cb 0.55 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3a4t h GLN 190 CO 0.03 0.84 -0.06 0.87 -0.67 0.00 0.00 178.83 179.84 3a4t h LYS 191 N 0.95 -0.16 0.08 1.46 1.57 -1.06 0.54 116.57 119.94 3a4t h LYS 191 Ca 0.21 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3a4t h LYS 191 Cb 0.27 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3a4t h LYS 191 CO -0.01 0.17 -0.13 1.49 -0.57 0.00 0.00 179.45 180.41 3a4t h GLU 192 N -0.51 -0.25 -0.38 3.15 4.81 -1.38 -1.80 114.58 118.22 3a4t h GLU 192 Ca -0.02 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 3a4t h GLU 192 Cb 0.41 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.77 3a4t h GLU 192 CO 0.03 -0.17 -0.15 -0.07 -0.73 0.00 0.00 179.01 177.92 3a4t h LEU 193 N -0.26 -0.53 -1.35 1.64 -0.00 -1.14 -1.28 115.31 112.39 3a4t h LEU 193 Ca 0.02 0.14 -0.05 0.00 -0.00 0.00 0.00 57.88 57.98 3a4t h LEU 193 Cb 0.27 0.31 -0.01 0.00 -0.00 0.00 0.00 40.66 41.23 3a4t h LEU 193 CO -0.07 -0.19 -0.14 -0.29 -0.00 0.00 0.00 178.44 177.75 3a4t h ILE 194 N -0.08 1.19 -0.08 1.22 2.10 -0.58 0.13 117.51 121.40 3a4t h ILE 194 Ca 0.19 -0.83 -0.16 0.00 1.08 0.00 0.00 64.86 65.13 3a4t h ILE 194 Cb 0.37 1.22 -0.01 0.00 -1.09 0.00 0.00 36.82 37.31 3a4t h ILE 194 CO -0.44 0.26 -0.65 -0.78 -1.08 0.00 0.00 178.15 175.46 3a4t h ASP 195 N 0.25 0.36 -0.01 2.19 1.82 -0.75 -2.26 116.42 118.02 3a4t h ASP 195 Ca 0.05 -0.22 -0.00 0.00 -0.39 0.00 0.00 57.03 56.47 3a4t h ASP 195 Cb 0.40 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.31 3a4t h ASP 195 CO 0.02 0.91 0.00 0.40 -1.61 0.00 0.00 179.24 178.97 3a4t h ILE 196 N 0.22 1.05 -0.41 2.25 2.04 -0.59 -2.05 117.51 120.02 3a4t h ILE 196 Ca -0.01 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.78 3a4t h ILE 196 Cb 1.19 1.15 -0.09 0.00 -0.74 0.00 0.00 36.82 38.33 3a4t h ILE 196 CO 0.11 0.04 -0.19 1.23 0.00 0.00 0.00 178.15 179.34 3a4t h GLY 197 N -0.06 0.12 0.77 5.37 0.00 -0.60 -2.27 103.07 106.41 3a4t h GLY 197 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.62 3a4t h GLY 197 CO -0.00 -0.20 0.36 -2.22 0.00 0.00 0.00 176.54 174.49 3a4t h ILE 198 N -0.11 1.02 -0.31 2.60 1.08 -1.37 -2.12 117.51 118.31 3a4t h ILE 198 Ca 0.20 -0.24 0.09 0.00 -0.39 0.00 0.00 64.86 64.52 3a4t h ILE 198 Cb 0.42 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 3a4t h ILE 198 CO -0.48 0.13 0.31 0.44 -0.69 0.00 0.00 178.15 177.85 3a4t h ASP 199 N 0.69 0.00 -0.24 1.72 3.32 -0.80 -2.74 116.42 118.37 3a4t h ASP 199 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3a4t h ASP 199 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3a4t h ASP 199 CO -0.14 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.56 3a4t n LEU 200 N -3.86 2.90 -4.83 1.55 4.77 -0.81 -4.93 117.00 111.79 3a4t n LEU 200 Ca 0.05 -1.16 -0.38 0.00 -0.03 0.00 0.00 56.01 54.48 3a4t n LEU 200 Cb 0.46 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 3a4t n LEU 200 CO 0.29 0.58 0.20 -0.22 -1.33 0.00 0.00 177.39 176.91 3a4t s LEU 201 N -1.66 4.48 0.65 2.23 2.96 -1.04 -0.95 118.68 125.35 3a4t s LEU 201 Ca 0.35 1.11 -0.17 0.00 -0.22 0.00 0.00 54.13 55.20 3a4t s LEU 201 Cb 0.21 -2.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.05 3a4t s LEU 201 CO 0.30 0.27 1.22 -0.54 -1.32 0.00 0.00 176.35 176.28 3a4t s LYS 202 N -1.25 2.63 0.31 1.98 1.02 -0.33 -4.73 119.74 119.37 3a4t s LYS 202 Ca 0.28 1.84 -0.28 0.00 0.02 0.00 0.00 55.97 57.83 3a4t s LYS 202 Cb -0.18 -1.88 -0.13 0.00 -0.52 0.00 0.00 37.83 35.12 3a4t s LYS 202 CO 0.17 -1.47 1.11 1.17 -0.92 0.00 0.00 175.35 175.40 3a4t n LYS 203 N -2.02 1.62 -0.68 1.68 4.81 -1.26 -0.55 118.16 121.76 3a4t n LYS 203 Ca 0.14 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 3a4t n LYS 203 Cb 0.50 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.53 3a4t n LYS 203 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3a4t n ASP 204 N 1.07 0.00 -4.76 3.14 8.00 0.48 -5.00 116.55 119.48 3a4t n ASP 204 Ca 0.08 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.27 3a4t n ASP 204 Cb 0.33 -1.42 0.10 0.00 -0.02 0.00 0.00 41.12 40.11 3a4t n ASP 204 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3a4t s GLY 205 N -2.00 1.69 0.20 0.44 0.00 0.29 -4.71 107.32 103.23 3a4t s GLY 205 Ca 0.00 0.31 0.11 0.00 0.00 0.00 0.00 44.72 45.14 3a4t s GLY 205 CO 0.00 0.66 -0.23 -0.54 0.00 0.00 0.00 173.10 173.00 3a4t s GLU 206 N -4.86 1.50 -0.03 2.90 2.02 -1.09 -1.61 118.70 117.53 3a4t s GLU 206 Ca 0.62 -1.54 0.01 0.00 0.02 0.00 0.00 54.97 54.08 3a4t s GLU 206 Cb -0.18 -1.75 0.02 0.00 0.10 0.00 0.00 34.13 32.32 3a4t s GLU 206 CO 0.56 0.37 -0.05 -1.17 0.02 0.00 0.00 175.26 174.99 3a4t s LEU 207 N -2.78 1.48 -0.19 1.80 0.20 0.54 -0.82 118.68 118.90 3a4t s LEU 207 Ca 0.21 -0.12 -0.07 0.00 0.69 0.00 0.00 54.13 54.84 3a4t s LEU 207 Cb -0.07 -0.40 -0.04 0.00 -0.43 0.00 0.00 46.19 45.24 3a4t s LEU 207 CO 0.10 -0.03 0.06 -0.69 -0.29 0.00 0.00 176.35 175.51 3a4t s VAL 208 N 0.67 4.74 -0.24 1.68 1.01 -0.56 -0.12 120.40 127.58 3a4t s VAL 208 Ca -0.09 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 3a4t s VAL 208 Cb -0.12 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 3a4t s VAL 208 CO 0.00 0.45 0.16 -0.47 0.00 0.00 0.00 175.10 175.24 3a4t s TYR 209 N 0.48 3.31 0.03 5.22 5.04 0.29 -0.60 117.35 131.12 3a4t s TYR 209 Ca 0.03 0.20 -0.02 0.00 -2.44 0.00 0.00 57.07 54.85 3a4t s TYR 209 Cb -0.13 -2.27 -0.02 0.00 0.35 0.00 0.00 41.96 39.89 3a4t s TYR 209 CO 0.01 0.05 0.01 -1.54 -1.34 0.00 0.00 175.55 172.74 3a4t s SER 210 N 1.07 0.27 0.07 4.32 1.04 -0.09 -1.38 113.70 119.00 3a4t s SER 210 Ca 0.07 -0.61 -0.16 0.00 0.48 0.00 0.00 55.95 55.74 3a4t s SER 210 Cb -0.14 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.17 3a4t s SER 210 CO 0.05 -0.42 0.36 0.28 0.98 0.00 0.00 173.24 174.49 3a4t s THR 211 N -2.27 0.07 -0.38 2.02 -1.32 -0.93 -0.76 115.64 112.06 3a4t s THR 211 Ca -0.08 -0.61 -0.01 0.00 -1.21 0.00 0.00 61.69 59.78 3a4t s THR 211 Cb -0.04 -1.04 0.26 0.00 -1.51 0.00 0.00 72.50 70.17 3a4t s THR 211 CO -0.04 -0.34 2.01 0.00 -2.21 0.00 0.00 174.62 174.04 3a4t s SER 213 N -0.18 0.12 0.00 0.00 0.15 -1.21 -4.68 113.70 107.89 3a4t s SER 213 Ca 0.37 -0.30 0.12 0.00 0.70 0.00 0.00 55.95 56.84 3a4t s SER 213 Cb 0.29 0.14 0.14 0.00 -1.71 0.00 0.00 66.02 64.88 3a4t s SER 213 CO -0.00 -0.27 0.96 1.15 1.20 0.00 0.00 173.24 176.27 3a4t n MET 214 N 1.81 1.10 -1.88 5.44 0.00 -1.26 -3.57 117.12 118.75 3a4t n MET 214 Ca -0.22 -1.38 -0.42 0.00 0.00 0.00 0.00 57.70 55.68 3a4t n MET 214 Cb 0.56 -1.24 -0.03 0.00 0.00 0.00 0.00 33.22 32.51 3a4t n MET 214 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3a4t s GLU 215 N -0.98 4.19 0.30 3.17 0.41 -1.26 -4.93 118.70 119.59 3a4t s GLU 215 Ca 0.16 2.43 -0.02 0.00 -0.41 0.00 0.00 54.97 57.13 3a4t s GLU 215 Cb 0.10 -3.12 0.45 0.00 -1.78 0.00 0.00 34.13 29.78 3a4t s GLU 215 CO 0.15 -0.62 1.96 0.28 -0.49 0.00 0.00 175.26 176.55 3a4t h VAL 216 N 3.85 1.20 -0.97 2.63 2.07 -1.96 -2.27 116.25 120.79 3a4t h VAL 216 Ca -0.44 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 66.72 3a4t h VAL 216 Cb 1.21 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3a4t h VAL 216 CO 0.90 0.20 0.64 -0.08 0.02 0.00 0.00 177.57 179.25 3a4t h GLU 217 N 1.12 1.24 -0.02 1.57 4.57 -1.97 0.42 114.58 121.52 3a4t h GLU 217 Ca 0.31 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3a4t h GLU 217 Cb -0.10 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.21 3a4t h GLU 217 CO -0.07 0.82 0.00 0.39 -1.18 0.00 0.00 179.01 178.97 3a4t n GLU 218 N -4.41 1.23 0.00 1.92 1.02 -1.04 -4.00 120.64 115.35 3a4t n GLU 218 Ca 0.12 -0.34 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 3a4t n GLU 218 Cb 0.05 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3a4t n GLU 218 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3a4t n ASN 219 N -0.55 0.00 0.18 1.62 5.03 0.01 -4.72 115.26 116.84 3a4t n ASN 219 Ca 0.20 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.69 3a4t n ASN 219 Cb 0.18 0.00 0.45 0.00 -1.02 0.00 0.00 39.78 39.39 3a4t n ASN 219 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 3a4t h GLU 220 N 0.00 0.08 0.00 3.52 3.07 -1.47 -1.49 114.58 118.29 3a4t h GLU 220 Ca 0.00 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 3a4t h GLU 220 Cb 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 3a4t h GLU 220 CO 0.00 0.27 -0.40 1.49 -1.40 0.00 0.00 179.01 178.97 3a4t h GLU 221 N 0.08 0.00 -0.23 2.33 4.57 -1.40 -0.56 114.58 119.37 3a4t h GLU 221 Ca 0.01 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.05 3a4t h GLU 221 Cb 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3a4t h GLU 221 CO 0.03 0.40 -0.43 0.28 -1.18 0.00 0.00 179.01 178.10 3a4t h VAL 222 N 0.00 1.31 -0.24 0.32 2.07 -1.41 -2.54 116.25 115.75 3a4t h VAL 222 Ca -0.00 -1.64 -0.13 0.00 0.82 0.00 0.00 66.70 65.74 3a4t h VAL 222 Cb 0.75 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3a4t h VAL 222 CO 0.05 0.52 -0.36 0.40 0.02 0.00 0.00 177.57 178.20 3a4t h ILE 223 N 0.40 1.31 -0.80 4.57 1.08 -1.20 -2.83 117.51 120.05 3a4t h ILE 223 Ca 0.01 -1.56 0.10 0.00 -0.39 0.00 0.00 64.86 63.03 3a4t h ILE 223 Cb 1.03 1.72 -0.08 0.00 -3.07 0.00 0.00 36.82 36.43 3a4t h ILE 223 CO 0.10 0.49 0.44 0.50 -0.69 0.00 0.00 178.15 178.99 3a4t h LYS 224 N 0.39 0.69 0.32 2.37 3.64 -1.20 -0.98 116.57 121.80 3a4t h LYS 224 Ca 0.02 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3a4t h LYS 224 Cb 0.95 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3a4t h LYS 224 CO 0.08 0.46 -0.16 -0.92 -2.27 0.00 0.00 179.45 176.64 3a4t h TYR 225 N 0.71 -0.43 -0.63 1.91 3.20 -1.38 -2.59 116.97 117.77 3a4t h TYR 225 Ca 0.40 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.25 3a4t h TYR 225 Cb 0.42 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 3a4t h TYR 225 CO -0.08 -0.26 0.33 0.97 -1.64 0.00 0.00 178.16 177.47 3a4t h ILE 226 N -0.45 1.20 -0.37 1.81 6.09 -1.28 -1.65 117.51 122.86 3a4t h ILE 226 Ca -0.04 -0.52 -0.14 0.00 -1.37 0.00 0.00 64.86 62.79 3a4t h ILE 226 Cb 0.35 0.37 -0.01 0.00 0.47 0.00 0.00 36.82 38.00 3a4t h ILE 226 CO 0.06 0.22 -0.32 -0.07 -3.07 0.00 0.00 178.15 174.97 3a4t h LEU 227 N 0.88 0.87 0.01 2.19 3.38 -1.06 -1.21 115.31 120.37 3a4t h LEU 227 Ca 0.22 -0.37 -0.25 0.00 0.09 0.00 0.00 57.88 57.57 3a4t h LEU 227 Cb 0.05 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 40.58 3a4t h LEU 227 CO -0.03 1.12 -0.99 0.06 0.09 0.00 0.00 178.44 178.68 3a4t h GLN 228 N 0.70 0.66 -0.87 1.13 -0.00 -1.38 -3.26 115.11 112.08 3a4t h GLN 228 Ca 0.07 -0.72 0.05 0.00 -0.00 0.00 0.00 58.65 58.06 3a4t h GLN 228 Cb 0.88 0.21 -0.05 0.00 -0.00 0.00 0.00 27.48 28.51 3a4t h GLN 228 CO 0.08 1.30 0.57 -0.22 -0.00 0.00 0.00 178.83 180.56 3a4t h LYS 229 N 0.31 1.00 -5.14 0.06 3.64 -1.23 -3.42 116.57 111.79 3a4t h LYS 229 Ca -0.13 -0.06 -0.67 0.00 -1.27 0.00 0.00 60.65 58.52 3a4t h LYS 229 Cb 1.66 -0.22 -0.34 0.00 -0.41 0.00 0.00 32.23 32.91 3a4t h LYS 229 CO 0.20 0.66 -0.87 1.03 -2.27 0.00 0.00 179.45 178.20 3a4t s ARG 230 N -5.89 2.96 0.11 1.90 0.52 -0.46 -4.99 118.95 113.11 3a4t s ARG 230 Ca -0.11 -0.83 0.25 0.00 -0.52 0.00 0.00 55.73 54.52 3a4t s ARG 230 Cb 0.19 -2.43 0.58 0.00 0.52 0.00 0.00 34.95 33.81 3a4t s ARG 230 CO 0.80 -0.06 1.51 -1.71 0.02 0.00 0.00 175.30 175.86 3a4t n ASN 231 N 4.20 0.63 -1.60 0.23 5.15 -1.26 -3.97 115.26 118.64 3a4t n ASN 231 Ca -0.20 0.23 0.01 0.00 -0.60 0.00 0.00 54.58 54.02 3a4t n ASN 231 Cb 0.51 -0.14 0.27 0.00 -0.53 0.00 0.00 39.78 39.89 3a4t n ASN 231 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3a4t n ASP 232 N -2.01 4.34 -4.11 1.20 5.75 -1.26 -4.96 116.55 115.51 3a4t n ASP 232 Ca 0.05 -2.78 -0.22 0.00 -0.01 0.00 0.00 54.79 51.83 3a4t n ASP 232 Cb 0.41 -0.66 -0.15 0.00 -1.03 0.00 0.00 41.12 39.70 3a4t n ASP 232 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3a4t s VAL 233 N -2.33 1.07 0.07 2.12 1.01 -1.25 0.91 120.40 122.01 3a4t s VAL 233 Ca 0.41 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3a4t s VAL 233 Cb 0.32 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 3a4t s VAL 233 CO 0.11 0.25 -0.09 -1.83 0.00 0.00 0.00 175.10 173.55 3a4t s GLU 234 N -0.45 0.71 0.22 2.72 -1.05 -0.58 -4.92 118.70 115.35 3a4t s GLU 234 Ca 0.05 -1.02 -0.29 0.00 -0.15 0.00 0.00 54.97 53.56 3a4t s GLU 234 Cb -0.06 -0.37 -0.09 0.00 -0.44 0.00 0.00 34.13 33.17 3a4t s GLU 234 CO -0.00 0.05 0.90 -1.17 0.95 0.00 0.00 175.26 175.99 3a4t s LEU 235 N -2.19 4.63 -0.19 1.83 1.98 -1.26 -1.23 118.68 122.25 3a4t s LEU 235 Ca 0.00 1.87 -0.08 0.00 -2.89 0.00 0.00 54.13 53.03 3a4t s LEU 235 Cb -0.04 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.24 3a4t s LEU 235 CO -0.01 0.17 0.07 -0.63 -1.89 0.00 0.00 176.35 174.06 3a4t s ILE 236 N -1.13 4.81 -0.06 6.68 1.01 0.06 -4.89 121.20 127.66 3a4t s ILE 236 Ca 0.40 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 3a4t s ILE 236 Cb -0.25 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 3a4t s ILE 236 CO 0.30 0.45 1.43 -0.63 0.00 0.00 0.00 174.94 176.50 3a4t s ILE 237 N 0.46 3.84 -0.13 2.92 1.01 -1.26 -4.34 121.20 123.69 3a4t s ILE 237 Ca 0.03 1.11 -0.07 0.00 0.00 0.00 0.00 60.65 61.72 3a4t s ILE 237 Cb -0.12 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3a4t s ILE 237 CO 0.00 -0.06 0.14 -0.63 0.00 0.00 0.00 174.94 174.40 3a4t s ILE 238 N 3.18 5.49 -0.20 2.92 1.01 -0.52 -5.01 121.20 128.06 3a4t s ILE 238 Ca 0.64 0.21 -0.14 0.00 0.00 0.00 0.00 60.65 61.35 3a4t s ILE 238 Cb -0.29 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 3a4t s ILE 238 CO 0.24 0.59 0.33 -0.54 0.00 0.00 0.00 174.94 175.56 3a4t s LYS 239 N -0.82 4.17 0.33 2.79 -0.14 -1.26 -4.54 119.74 120.27 3a4t s LYS 239 Ca 0.14 0.08 0.01 0.00 -1.36 0.00 0.00 55.97 54.85 3a4t s LYS 239 Cb -0.12 -3.52 0.58 0.00 -1.68 0.00 0.00 37.83 33.09 3a4t s LYS 239 CO 0.03 0.03 1.98 0.00 -0.76 0.00 0.00 175.35 176.63 3a4t h ALA 240 N 7.28 1.48 0.00 5.17 0.00 -1.94 -2.91 119.26 128.35 3a4t h ALA 240 Ca -0.37 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3a4t h ALA 240 Cb 1.16 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3a4t h ALA 240 CO 0.71 0.45 0.00 0.27 0.00 0.00 0.00 179.25 180.68 3a4t n ASN 241 N -4.41 0.00 -1.47 0.00 2.04 -1.26 -2.97 115.26 107.19 3a4t n ASN 241 Ca 0.06 -0.86 0.10 0.00 -0.44 0.00 0.00 54.58 53.45 3a4t n ASN 241 Cb 0.07 0.00 0.34 0.00 -2.53 0.00 0.00 39.78 37.66 3a4t n ASN 241 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 3a4t n GLU 242 N -0.72 3.30 -2.65 -3.83 1.02 -1.10 -4.57 120.64 112.09 3a4t n GLU 242 Ca 0.06 -2.79 -0.18 0.00 -0.02 0.00 0.00 57.16 54.23 3a4t n GLU 242 Cb 0.03 -1.75 0.01 0.00 -0.02 0.00 0.00 31.44 29.71 3a4t n GLU 242 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3a4t n PHE 243 N 1.34 2.14 -1.62 -0.32 3.72 -1.16 -4.99 117.46 116.56 3a4t n PHE 243 Ca 0.25 -3.07 -0.41 0.00 -0.05 0.00 0.00 57.45 54.17 3a4t n PHE 243 Cb 0.77 -0.27 0.02 0.00 -0.94 0.00 0.00 39.48 39.06 3a4t n PHE 243 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3a4t n LYS 244 N -0.21 1.35 -0.44 -1.08 4.76 -1.26 -2.06 118.16 119.23 3a4t n LYS 244 Ca 0.23 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 56.16 3a4t n LYS 244 Cb 0.72 -2.10 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 3a4t n LYS 244 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a4t n GLY 245 N 1.16 2.06 3.89 0.72 0.00 -1.26 -4.10 105.19 107.66 3a4t n GLY 245 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3a4t n GLY 245 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a4t s ILE 246 N -3.41 5.38 -1.06 -0.61 1.01 -0.87 -5.04 121.20 116.61 3a4t s ILE 246 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.50 3a4t s ILE 246 Cb 0.00 -3.54 0.15 0.00 0.01 0.00 0.00 42.46 39.08 3a4t s ILE 246 CO 0.00 0.36 1.26 0.21 0.00 0.00 0.00 174.94 176.77 3a4t s ASN 247 N -1.78 6.84 -0.06 3.58 2.47 -1.26 -4.96 114.94 119.77 3a4t s ASN 247 Ca 0.27 -2.51 0.02 0.00 0.42 0.00 0.00 52.86 51.06 3a4t s ASN 247 Cb -0.13 -2.39 0.01 0.00 -1.45 0.00 0.00 41.25 37.29 3a4t s ASN 247 CO 0.17 -0.90 -0.12 -0.51 -3.72 0.00 0.00 177.10 172.01 3a4t s ILE 248 N 2.09 1.11 0.34 -5.21 2.07 -1.26 -0.26 121.20 120.08 3a4t s ILE 248 Ca 0.37 -0.48 0.06 0.00 -1.41 0.00 0.00 60.65 59.20 3a4t s ILE 248 Cb -0.04 -1.01 -0.07 0.00 0.13 0.00 0.00 42.46 41.47 3a4t s ILE 248 CO -0.05 0.35 -0.01 -0.54 -1.91 0.00 0.00 174.94 172.77 3a4t s LYS 249 N 0.59 1.72 0.48 3.50 -0.14 0.20 -4.96 119.74 121.14 3a4t s LYS 249 Ca -0.13 -1.93 -0.22 0.00 -1.36 0.00 0.00 55.97 52.33 3a4t s LYS 249 Cb -0.15 -1.28 -0.07 0.00 -1.68 0.00 0.00 37.83 34.65 3a4t s LYS 249 CO 0.03 -0.03 1.17 -2.00 -0.76 0.00 0.00 175.35 173.76 3a4t s GLU 250 N -3.75 3.63 0.00 1.68 2.12 -1.26 -1.00 118.70 120.13 3a4t s GLU 250 Ca 0.33 1.76 0.00 0.00 0.36 0.00 0.00 54.97 57.42 3a4t s GLU 250 Cb 0.07 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 32.15 3a4t s GLU 250 CO 0.15 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.63 3a4t n GLY 251 N 0.40 -1.43 0.10 -1.50 0.00 0.86 -4.66 105.19 98.96 3a4t n GLY 251 Ca 0.08 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 44.65 3a4t n GLY 251 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3a4t h TYR 252 N -0.77 0.00 -3.11 1.61 0.05 -1.96 -3.40 116.97 109.38 3a4t h TYR 252 Ca 0.00 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 58.16 3a4t h TYR 252 Cb 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.63 3a4t h TYR 252 CO 0.00 0.00 -0.49 0.42 -1.05 0.00 0.00 178.16 177.04 3a4t s ILE 253 N -3.18 5.40 0.27 -2.88 1.01 -1.26 -5.08 121.20 115.48 3a4t s ILE 253 Ca 0.07 0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 3a4t s ILE 253 Cb 0.12 -3.43 -0.11 0.00 0.01 0.00 0.00 42.46 39.04 3a4t s ILE 253 CO 0.69 0.49 1.52 -0.54 0.00 0.00 0.00 174.94 177.10 3a4t s LYS 254 N -0.01 4.20 0.00 2.79 1.02 -1.26 -2.93 119.74 123.54 3a4t s LYS 254 Ca 0.10 2.43 0.00 0.00 0.02 0.00 0.00 55.97 58.52 3a4t s LYS 254 Cb -0.11 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 3a4t s LYS 254 CO -0.00 -0.52 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 3a4t n GLY 255 N 2.22 0.69 3.87 -3.33 0.00 -1.26 -4.85 105.19 102.53 3a4t n GLY 255 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3a4t n GLY 255 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a4t s THR 256 N -2.29 3.84 0.05 2.61 -4.23 -1.15 -1.45 115.64 113.02 3a4t s THR 256 Ca 0.00 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 3a4t s THR 256 Cb 0.00 -3.28 -0.03 0.00 1.34 0.00 0.00 72.50 70.54 3a4t s THR 256 CO 0.00 -0.21 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.01 3a4t s LEU 257 N -3.99 2.26 -0.03 4.79 1.43 0.53 -0.10 118.68 123.57 3a4t s LEU 257 Ca 0.40 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 3a4t s LEU 257 Cb -0.07 -0.30 0.01 0.00 0.03 0.00 0.00 46.19 45.86 3a4t s LEU 257 CO 0.27 -0.15 -0.08 -0.60 0.23 0.00 0.00 176.35 176.02 3a4t s ARG 258 N -1.60 0.95 -0.14 1.70 3.52 -0.17 -1.25 118.95 121.97 3a4t s ARG 258 Ca -0.07 -0.24 -0.04 0.00 -0.13 0.00 0.00 55.73 55.25 3a4t s ARG 258 Cb -0.10 -0.89 -0.03 0.00 -1.56 0.00 0.00 34.95 32.37 3a4t s ARG 258 CO 0.01 0.04 -0.01 0.08 -0.81 0.00 0.00 175.30 174.61 3a4t s VAL 259 N 0.45 4.17 0.28 7.11 1.01 -0.28 -0.62 120.40 132.52 3a4t s VAL 259 Ca -0.07 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.72 3a4t s VAL 259 Cb -0.11 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3a4t s VAL 259 CO 0.01 0.53 0.11 -0.36 0.00 0.00 0.00 175.10 175.38 3a4t s PHE 260 N -0.06 2.83 0.52 5.22 0.08 0.65 -3.23 117.98 123.99 3a4t s PHE 260 Ca 0.03 -0.23 -0.21 0.00 0.12 0.00 0.00 56.93 56.64 3a4t s PHE 260 Cb -0.13 -1.40 -0.08 0.00 -0.57 0.00 0.00 43.02 40.84 3a4t s PHE 260 CO 0.02 0.49 0.82 -2.30 -0.10 0.00 0.00 175.22 174.15 3a4t n PRO 261 N -1.07 0.91 0.00 0.24 -0.02 -1.26 -2.26 135.00 131.54 3a4t n PRO 261 Ca -0.06 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 61.90 3a4t n PRO 261 Cb 0.59 -1.93 0.63 0.00 -0.02 0.00 0.00 33.50 32.76 3a4t n PRO 261 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3a4t n PRO 262 N -0.21 0.15 -0.88 0.52 -0.04 -1.26 -4.94 135.00 128.32 3a4t n PRO 262 Ca 0.11 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.31 3a4t n PRO 262 Cb 0.44 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.59 3a4t n PRO 262 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3a4t s ASN 263 N -2.84 2.26 0.12 3.54 0.01 -0.96 -4.52 114.94 112.55 3a4t s ASN 263 Ca 0.18 1.52 -0.31 0.00 -0.71 0.00 0.00 52.86 53.54 3a4t s ASN 263 Cb 0.18 -2.20 -0.09 0.00 0.41 0.00 0.00 41.25 39.56 3a4t s ASN 263 CO 0.47 -3.41 1.49 -0.70 -1.51 0.00 0.00 177.10 173.45 3a4t s GLU 264 N -4.73 4.26 0.21 -0.60 2.12 -1.26 -4.75 118.70 113.96 3a4t s GLU 264 Ca 0.66 2.21 -0.32 0.00 0.36 0.00 0.00 54.97 57.88 3a4t s GLU 264 Cb -0.21 -3.29 -0.12 0.00 0.26 0.00 0.00 34.13 30.77 3a4t s GLU 264 CO 0.60 -0.55 1.72 -2.14 -0.54 0.00 0.00 175.26 174.34 3a4t s PRO 265 N 1.45 4.12 0.01 4.30 0.02 -1.26 -4.69 135.00 138.95 3a4t s PRO 265 Ca 0.68 2.61 -0.20 0.00 0.02 0.00 0.00 61.00 64.11 3a4t s PRO 265 Cb -0.39 -3.07 0.04 0.00 0.02 0.00 0.00 34.50 31.10 3a4t s PRO 265 CO 0.31 -0.75 0.44 0.12 -0.33 0.00 0.00 177.00 176.79 3a4t s PHE 266 N 1.12 -0.33 -0.02 6.54 5.36 -1.20 -3.36 117.98 126.09 3a4t s PHE 266 Ca 0.74 0.43 0.01 0.00 -0.96 0.00 0.00 56.93 57.15 3a4t s PHE 266 Cb -0.50 0.23 0.01 0.00 -0.34 0.00 0.00 43.02 42.42 3a4t s PHE 266 CO 0.33 -0.53 -0.04 0.12 -1.46 0.00 0.00 175.22 173.63 3a4t s PHE 267 N -1.89 0.51 -0.02 10.12 5.36 -0.36 -1.12 117.98 130.58 3a4t s PHE 267 Ca -0.09 -0.10 0.04 0.00 -0.96 0.00 0.00 56.93 55.82 3a4t s PHE 267 Cb -0.02 -0.41 -0.01 0.00 -0.34 0.00 0.00 43.02 42.25 3a4t s PHE 267 CO 0.02 -0.07 -0.14 0.42 -1.46 0.00 0.00 175.22 173.99 3a4t s ILE 268 N 0.33 1.14 0.07 3.12 -1.09 -0.38 -2.20 121.20 122.19 3a4t s ILE 268 Ca -0.04 -0.59 -0.06 0.00 -2.23 0.00 0.00 60.65 57.74 3a4t s ILE 268 Cb -0.07 -0.97 -0.02 0.00 -1.58 0.00 0.00 42.46 39.82 3a4t s ILE 268 CO -0.00 0.33 0.10 0.00 -1.23 0.00 0.00 174.94 174.14 3a4t s ALA 269 N -0.13 0.05 -0.02 9.38 0.00 -0.48 -0.35 121.76 130.21 3a4t s ALA 269 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3a4t s ALA 269 Cb -0.08 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.44 3a4t s ALA 269 CO 0.00 -0.43 0.01 0.21 0.00 0.00 0.00 175.76 175.56 3a4t s LYS 270 N -3.64 0.13 0.20 0.00 2.20 -1.26 -0.54 119.74 116.82 3a4t s LYS 270 Ca 0.04 0.11 0.05 0.00 -0.36 0.00 0.00 55.97 55.81 3a4t s LYS 270 Cb 0.05 -0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 35.99 3a4t s LYS 270 CO -0.09 -0.13 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.17 3a4t s LEU 271 N 0.92 2.45 0.01 5.43 1.43 0.83 -0.76 118.68 128.98 3a4t s LEU 271 Ca -0.08 -1.08 0.04 0.00 -1.03 0.00 0.00 54.13 51.97 3a4t s LEU 271 Cb -0.12 -0.45 -0.01 0.00 0.03 0.00 0.00 46.19 45.64 3a4t s LEU 271 CO -0.02 -0.33 -0.12 -0.60 0.23 0.00 0.00 176.35 175.51 3a4t s ARG 272 N -3.75 0.91 -0.15 1.70 3.52 -0.37 -0.34 118.95 120.48 3a4t s ARG 272 Ca 0.22 -0.52 -0.24 0.00 -0.13 0.00 0.00 55.73 55.07 3a4t s ARG 272 Cb 0.03 -0.89 -0.02 0.00 -1.56 0.00 0.00 34.95 32.51 3a4t s ARG 272 CO 0.05 0.23 0.75 0.21 -0.81 0.00 0.00 175.30 175.74 3a4t s LYS 273 N -0.56 4.31 0.00 5.12 2.20 -0.63 -1.53 119.74 128.64 3a4t s LYS 273 Ca 0.03 0.88 0.13 0.00 -0.36 0.00 0.00 55.97 56.65 3a4t s LYS 273 Cb -0.06 -3.54 0.10 0.00 -1.51 0.00 0.00 37.83 32.82 3a4t s LYS 273 CO 0.00 -0.21 0.91 0.44 -0.36 0.00 0.00 175.35 176.14