#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi s LYS 2 N 0.00 4.51 0.03 2.12 -0.14 -1.26 -0.85 119.74 124.15 2wdi s LYS 2 Ca 0.00 1.96 -0.11 0.00 -1.36 0.00 0.00 55.97 56.46 2wdi s LYS 2 Cb 0.00 -3.17 0.01 0.00 -1.68 0.00 0.00 37.83 32.99 2wdi s LYS 2 CO 0.00 -0.01 0.23 0.14 -0.76 0.00 0.00 175.35 174.96 2wdi s VAL 3 N -0.79 0.09 -0.34 3.17 -7.23 -0.71 -2.68 120.40 111.92 2wdi s VAL 3 Ca 0.49 -0.77 -0.13 0.00 -1.81 0.00 0.00 61.98 59.76 2wdi s VAL 3 Cb -0.35 -0.83 -0.02 0.00 0.56 0.00 0.00 36.38 35.74 2wdi s VAL 3 CO 0.43 -0.42 0.24 -0.63 -0.31 0.00 0.00 175.10 174.41 2wdi s ILE 4 N -2.29 5.29 0.75 -0.62 1.01 0.35 -3.15 121.20 122.54 2wdi s ILE 4 Ca -0.07 -0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 2wdi s ILE 4 Cb -0.02 -3.72 0.04 0.00 0.01 0.00 0.00 42.46 38.77 2wdi s ILE 4 CO -0.02 -0.01 1.08 -0.76 0.00 0.00 0.00 174.94 175.22 2wdi s LEU 5 N 1.72 2.88 0.00 2.97 1.02 -0.99 -0.65 118.68 125.63 2wdi s LEU 5 Ca 0.06 1.50 0.00 0.00 0.02 0.00 0.00 54.13 55.71 2wdi s LEU 5 Cb -0.17 -4.25 0.00 0.00 0.02 0.00 0.00 46.19 41.79 2wdi s LEU 5 CO 0.11 -1.73 0.00 0.18 0.02 0.00 0.00 176.35 174.93 2wdi n LEU 6 N -3.30 0.00 -2.70 1.79 4.77 -0.92 -1.87 117.00 114.77 2wdi n LEU 6 Ca 0.07 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.80 2wdi n LEU 6 Cb 0.55 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 2wdi n LEU 6 CO 0.56 0.00 1.33 1.21 -1.33 0.00 0.00 177.39 179.16 2wdi n GLU 7 N 0.00 0.00 -1.37 3.23 4.07 -1.26 -3.96 120.64 121.35 2wdi n GLU 7 Ca 0.00 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.72 2wdi n GLU 7 Cb 0.00 -0.90 0.04 0.00 -0.06 0.00 0.00 31.44 30.52 2wdi n GLU 7 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2wdi n PRO 8 N 5.08 0.34 -4.34 5.31 -0.04 -1.26 -4.93 135.00 135.17 2wdi n PRO 8 Ca 0.39 0.14 -0.18 0.00 -0.04 0.00 0.00 63.50 63.82 2wdi n PRO 8 Cb 0.02 -1.54 -0.10 0.00 -0.04 0.00 0.00 33.50 31.83 2wdi n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wdi s LEU 9 N 1.77 1.71 0.16 1.53 1.43 -1.20 -4.83 118.68 119.25 2wdi s LEU 9 Ca 0.65 -1.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.15 2wdi s LEU 9 Cb -0.43 -0.00 -0.07 0.00 0.03 0.00 0.00 46.19 45.71 2wdi s LEU 9 CO 0.58 -0.75 0.64 -0.70 0.23 0.00 0.00 176.35 176.35 2wdi s GLU 10 N -3.98 4.18 -0.90 1.70 -6.30 -1.26 -2.84 118.70 109.30 2wdi s GLU 10 Ca 0.37 0.75 0.00 0.00 -2.50 0.00 0.00 54.97 53.59 2wdi s GLU 10 Cb 0.07 -3.02 0.00 0.00 0.00 0.00 0.00 34.13 31.19 2wdi s GLU 10 CO 0.14 0.50 0.00 -1.71 0.02 0.00 0.00 175.26 174.21 2wdi n ASN 11 N 1.07 -3.62 0.00 -1.70 5.15 -1.26 -4.82 115.26 110.07 2wdi n ASN 11 Ca -0.05 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 2wdi n ASN 11 Cb 0.51 -2.52 0.00 0.00 -0.53 0.00 0.00 39.78 37.24 2wdi n ASN 11 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wdi n LEU 12 N -1.26 0.00 0.00 1.20 -0.00 -1.25 -5.16 117.00 110.52 2wdi n LEU 12 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 2wdi n LEU 12 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 2wdi n LEU 12 CO 0.14 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.14 2wdi n GLY 13 N 0.00 2.92 2.13 1.47 0.00 -1.13 -3.25 105.19 107.33 2wdi n GLY 13 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 2wdi n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wdi n ASP 14 N 0.00 -5.23 -4.00 1.61 8.00 -1.26 -4.58 116.55 111.10 2wdi n ASP 14 Ca 0.00 1.28 -0.36 0.00 0.71 0.00 0.00 54.79 56.42 2wdi n ASP 14 Cb 0.00 -4.22 0.04 0.00 -0.02 0.00 0.00 41.12 36.92 2wdi n ASP 14 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2wdi n VAL 15 N 1.36 0.00 0.00 2.53 0.24 -1.25 -1.81 118.33 119.39 2wdi n VAL 15 Ca -0.12 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2wdi n VAL 15 Cb 0.18 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 2wdi n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdi n GLY 16 N 3.36 0.00 3.79 7.63 0.00 -0.78 -4.89 105.19 114.29 2wdi n GLY 16 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2wdi n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wdi s GLN 17 N 0.00 3.26 -0.52 1.61 0.74 -0.75 -4.77 119.66 119.22 2wdi s GLN 17 Ca 0.00 1.36 0.04 0.00 0.05 0.00 0.00 55.36 56.81 2wdi s GLN 17 Cb 0.00 -2.01 0.13 0.00 1.10 0.00 0.00 33.01 32.23 2wdi s GLN 17 CO 0.00 -0.88 0.27 0.08 -0.55 0.00 0.00 175.29 174.21 2wdi s VAL 18 N -2.22 2.53 0.37 1.34 1.01 -1.26 -2.35 120.40 119.82 2wdi s VAL 18 Ca 0.67 -3.33 0.08 0.00 0.00 0.00 0.00 61.98 59.40 2wdi s VAL 18 Cb -0.19 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2wdi s VAL 18 CO 0.34 -0.82 0.30 0.54 0.00 0.00 0.00 175.10 175.46 2wdi s VAL 19 N -0.32 3.14 0.26 2.92 0.11 -1.19 -4.84 120.40 120.48 2wdi s VAL 19 Ca 0.17 -1.41 0.10 0.00 -2.93 0.00 0.00 61.98 57.92 2wdi s VAL 19 Cb -0.25 -3.09 -0.05 0.00 -1.53 0.00 0.00 36.38 31.46 2wdi s VAL 19 CO -0.01 -0.11 -0.18 1.51 -3.33 0.00 0.00 175.10 172.99 2wdi s ASP 20 N -4.02 3.24 0.21 3.54 3.84 -1.26 -1.73 116.67 120.49 2wdi s ASP 20 Ca 0.43 -1.04 -0.05 0.00 -0.00 0.00 0.00 52.55 51.90 2wdi s ASP 20 Cb -0.04 -0.24 -0.03 0.00 -1.38 0.00 0.00 42.92 41.22 2wdi s ASP 20 CO 0.26 -0.05 0.24 0.68 -0.00 0.00 0.00 175.17 176.31 2wdi s VAL 21 N -2.68 0.00 0.06 2.11 -7.23 -0.03 -4.74 120.40 107.89 2wdi s VAL 21 Ca 0.28 -1.80 -0.31 0.00 -1.81 0.00 0.00 61.98 58.34 2wdi s VAL 21 Cb -0.03 -2.40 -0.07 0.00 0.56 0.00 0.00 36.38 34.44 2wdi s VAL 21 CO 0.12 -0.01 1.43 -0.54 -0.31 0.00 0.00 175.10 175.79 2wdi s LYS 22 N -4.11 4.29 0.17 4.82 1.02 -1.26 -0.03 119.74 124.63 2wdi s LYS 22 Ca 0.33 2.06 -0.15 0.00 0.02 0.00 0.00 55.97 58.24 2wdi s LYS 22 Cb 0.04 -3.44 0.15 0.00 -0.52 0.00 0.00 37.83 34.06 2wdi s LYS 22 CO 0.11 -0.54 1.16 -2.30 -0.92 0.00 0.00 175.35 172.87 2wdi n PRO 23 N 4.79 -0.20 -0.33 -1.68 -0.02 -1.26 0.42 135.00 136.72 2wdi n PRO 23 Ca 0.13 1.15 0.22 0.00 -2.02 0.00 0.00 63.50 62.98 2wdi n PRO 23 Cb 0.43 -1.71 0.42 0.00 -0.02 0.00 0.00 33.50 32.62 2wdi n PRO 23 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2wdi h GLY 24 N 0.00 1.74 0.83 -1.23 0.00 -1.97 0.35 103.07 102.79 2wdi h GLY 24 Ca 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 2wdi h GLY 24 CO -0.74 -0.60 -0.06 -1.82 0.00 0.00 0.00 176.54 173.32 2wdi h TYR 25 N 0.07 -0.15 0.42 5.60 -0.00 -0.40 -1.60 116.97 120.91 2wdi h TYR 25 Ca 0.70 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 59.41 2wdi h TYR 25 Cb 1.64 0.05 0.00 0.00 -0.00 0.00 0.00 36.73 38.42 2wdi h TYR 25 CO -0.23 0.06 -0.20 0.00 -0.00 0.00 0.00 178.16 177.78 2wdi h ALA 26 N 0.53 -0.57 0.00 1.82 0.00 -0.64 -0.76 119.26 119.64 2wdi h ALA 26 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wdi h ALA 26 Cb 0.27 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wdi h ALA 26 CO 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 179.25 178.53 2wdi h ARG 27 N -0.71 0.00 0.00 0.00 3.08 -0.51 0.15 114.38 116.38 2wdi h ARG 27 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2wdi h ARG 27 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2wdi h ARG 27 CO 0.10 0.00 -0.44 0.09 -1.07 0.00 0.00 179.97 178.65 2wdi n ASN 28 N -2.67 1.65 0.01 7.04 3.02 -0.60 -4.56 115.26 119.14 2wdi n ASN 28 Ca -0.01 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 2wdi n ASN 28 Cb 0.11 1.03 0.00 0.00 -0.61 0.00 0.00 39.78 40.31 2wdi n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wdi n TYR 29 N -1.23 -0.08 -0.12 3.10 9.36 -0.31 -4.63 117.16 123.25 2wdi n TYR 29 Ca 0.00 0.01 -0.05 0.00 3.32 0.00 0.00 57.90 61.18 2wdi n TYR 29 Cb 0.04 0.23 0.01 0.00 -0.63 0.00 0.00 39.34 38.99 2wdi n TYR 29 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2wdi h LEU 30 N 0.00 -0.52 0.04 2.98 3.38 -1.50 0.46 115.31 120.15 2wdi h LEU 30 Ca 0.00 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wdi h LEU 30 Cb 0.00 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wdi h LEU 30 CO 0.00 -0.18 -0.02 -0.07 0.09 0.00 0.00 178.44 178.26 2wdi h LEU 31 N -0.06 -0.05 -1.74 1.67 4.07 -0.91 -0.61 115.31 117.68 2wdi h LEU 31 Ca 0.20 -0.57 -0.02 0.00 0.08 0.00 0.00 57.88 57.57 2wdi h LEU 31 Cb 0.36 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 2wdi h LEU 31 CO -0.45 0.57 -0.03 -0.65 -1.08 0.00 0.00 178.44 176.80 2wdi h PRO 32 N -0.70 0.12 -0.31 1.13 0.11 -1.71 -1.37 132.00 129.27 2wdi h PRO 32 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2wdi h PRO 32 Cb 0.61 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2wdi h PRO 32 CO 0.01 0.17 0.00 0.54 -0.21 0.00 0.00 178.00 178.51 2wdi n ARG 33 N -4.42 1.77 -1.18 1.05 1.74 0.16 -4.91 116.66 110.87 2wdi n ARG 33 Ca -0.02 -1.19 -0.07 0.00 -0.77 0.00 0.00 57.85 55.81 2wdi n ARG 33 Cb 0.16 -1.29 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 2wdi n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdi n GLY 34 N 1.05 0.68 0.19 -0.13 0.00 -0.52 -4.81 105.19 101.66 2wdi n GLY 34 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 2wdi n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdi n LEU 35 N -0.83 0.55 -3.81 0.99 4.77 -0.27 -4.76 117.00 113.65 2wdi n LEU 35 Ca -0.07 -0.25 0.02 0.00 -0.03 0.00 0.00 56.01 55.68 2wdi n LEU 35 Cb 0.54 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 2wdi n LEU 35 CO 0.11 0.13 1.10 0.00 -1.33 0.00 0.00 177.39 177.39 2wdi s ALA 36 N -1.90 -2.39 0.06 -1.18 0.00 -1.02 -2.18 121.76 113.16 2wdi s ALA 36 Ca 0.20 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 2wdi s ALA 36 Cb 0.10 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 2wdi s ALA 36 CO 0.15 -1.11 0.04 0.08 0.00 0.00 0.00 175.76 174.92 2wdi s VAL 37 N -2.17 0.20 0.31 0.00 1.01 0.17 -4.44 120.40 115.48 2wdi s VAL 37 Ca 0.22 -1.61 -0.29 0.00 0.00 0.00 0.00 61.98 60.31 2wdi s VAL 37 Cb 0.02 -1.46 -0.10 0.00 0.00 0.00 0.00 36.38 34.85 2wdi s VAL 37 CO -0.02 -0.89 1.33 -0.76 0.00 0.00 0.00 175.10 174.76 2wdi s LEU 38 N -2.89 4.42 0.00 3.92 1.02 -1.26 -0.49 118.68 123.39 2wdi s LEU 38 Ca 0.06 2.67 0.00 0.00 0.02 0.00 0.00 54.13 56.88 2wdi s LEU 38 Cb 0.07 -3.64 0.00 0.00 0.02 0.00 0.00 46.19 42.64 2wdi s LEU 38 CO -0.10 -0.56 1.80 0.00 0.02 0.00 0.00 176.35 177.50 2wdi n ALA 39 N 1.15 3.72 -1.83 4.21 0.00 -1.09 -4.61 120.51 122.07 2wdi n ALA 39 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 2wdi n ALA 39 Cb 0.42 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 2wdi n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wdi s THR 40 N 0.10 2.50 0.66 0.00 -4.23 -1.26 -4.81 115.64 108.60 2wdi s THR 40 Ca 0.00 0.44 0.18 0.00 -1.18 0.00 0.00 61.69 61.13 2wdi s THR 40 Cb 0.00 -3.28 0.18 0.00 1.34 0.00 0.00 72.50 70.74 2wdi s THR 40 CO 0.00 0.08 1.56 -0.33 -0.54 0.00 0.00 174.62 175.39 2wdi h GLU 41 N 4.40 0.00 0.00 3.99 5.08 -1.96 -0.93 114.58 125.15 2wdi h GLU 41 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2wdi h GLU 41 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2wdi h GLU 41 CO 0.74 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 179.20 2wdi n SER 42 N -2.73 0.00 0.00 1.42 2.88 -1.26 -2.15 113.62 111.78 2wdi n SER 42 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2wdi n SER 42 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2wdi n SER 42 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2wdi n ASN 43 N 0.00 0.00 -0.00 -3.46 6.94 -1.16 -0.73 115.26 116.85 2wdi n ASN 43 Ca 0.00 -0.04 -0.21 0.00 -0.02 0.00 0.00 54.58 54.31 2wdi n ASN 43 Cb 0.00 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.28 2wdi n ASN 43 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2wdi h LEU 44 N 0.00 0.35 0.08 -4.53 5.85 -1.18 -3.29 115.31 112.59 2wdi h LEU 44 Ca 0.00 -0.83 -0.25 0.00 0.84 0.00 0.00 57.88 57.63 2wdi h LEU 44 Cb 0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2wdi h LEU 44 CO 0.00 1.65 -1.19 0.07 -0.34 0.00 0.00 178.44 178.63 2wdi h LYS 45 N -0.31 0.16 0.00 1.25 2.10 -0.40 -2.97 116.57 116.41 2wdi h LYS 45 Ca -0.33 -0.28 0.00 0.00 -2.00 0.00 0.00 60.65 58.04 2wdi h LYS 45 Cb 1.77 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 33.20 2wdi h LYS 45 CO 0.03 1.11 0.00 0.00 -2.00 0.00 0.00 179.45 178.60 2wdi n ALA 46 N -2.48 1.26 -0.01 0.07 0.00 -0.86 0.58 120.51 119.06 2wdi n ALA 46 Ca -0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 2wdi n ALA 46 Cb 1.00 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 19.27 2wdi n ALA 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wdi n LEU 47 N -1.38 0.79 -0.36 0.00 0.00 -1.12 -3.42 117.00 111.51 2wdi n LEU 47 Ca 0.01 0.37 0.01 0.00 0.00 0.00 0.00 56.01 56.40 2wdi n LEU 47 Cb 0.03 0.17 0.15 0.00 0.00 0.00 0.00 43.42 43.77 2wdi n LEU 47 CO 0.03 0.33 1.27 -0.33 0.00 0.00 0.00 177.39 178.68 2wdi h GLU 48 N 0.00 1.18 0.07 1.96 4.39 0.06 0.49 114.58 122.73 2wdi h GLU 48 Ca -0.27 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.38 2wdi h GLU 48 Cb 1.91 -0.27 -0.05 0.00 -0.10 0.00 0.00 28.75 30.25 2wdi h GLU 48 CO 0.07 0.78 -0.39 0.00 -1.16 0.00 0.00 179.01 178.30 2wdi h ALA 49 N 1.42 -0.66 0.00 3.43 0.00 -1.56 0.47 119.26 122.36 2wdi h ALA 49 Ca 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2wdi h ALA 49 Cb 0.06 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2wdi h ALA 49 CO -0.14 -0.94 0.00 0.54 0.00 0.00 0.00 179.25 178.71 2wdi n ARG 50 N -5.45 0.12 -0.02 0.00 1.74 -0.23 -0.05 116.66 112.77 2wdi n ARG 50 Ca -0.06 0.46 -0.22 0.00 -0.77 0.00 0.00 57.85 57.26 2wdi n ARG 50 Cb 0.36 -1.77 -0.13 0.00 -1.02 0.00 0.00 32.46 29.90 2wdi n ARG 50 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2wdi h ILE 51 N 0.00 0.75 0.00 0.55 1.08 0.32 -3.38 117.51 116.83 2wdi h ILE 51 Ca 0.00 -2.31 0.00 0.00 -0.39 0.00 0.00 64.86 62.16 2wdi h ILE 51 Cb 0.19 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.40 2wdi h ILE 51 CO 0.00 0.73 -1.11 -2.11 -0.69 0.00 0.00 178.15 174.97 2wdi n ARG 52 N -3.77 0.42 -0.39 2.37 1.85 0.13 -3.19 116.66 114.09 2wdi n ARG 52 Ca -0.31 0.01 0.03 0.00 -1.00 0.00 0.00 57.85 56.58 2wdi n ARG 52 Cb 0.95 -1.66 0.18 0.00 -1.05 0.00 0.00 32.46 30.87 2wdi n ARG 52 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wdi n ALA 53 N -1.98 3.10 -1.37 2.89 0.00 0.93 -1.82 120.51 122.26 2wdi n ALA 53 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2wdi n ALA 53 Cb 0.49 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2wdi n ALA 53 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wdi n GLN 54 N 0.27 0.00 -0.11 0.00 7.27 -1.25 -4.54 117.38 119.02 2wdi n GLN 54 Ca 0.12 -0.02 -0.16 0.00 0.07 0.00 0.00 57.00 57.01 2wdi n GLN 54 Cb 0.66 -0.32 -0.05 0.00 2.41 0.00 0.00 30.24 32.94 2wdi n GLN 54 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wdi n ALA 55 N 0.00 0.96 0.16 1.69 0.00 -1.09 -3.51 120.51 118.72 2wdi n ALA 55 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 53.44 52.56 2wdi n ALA 55 Cb 0.27 0.05 0.26 0.00 0.00 0.00 0.00 19.45 20.03 2wdi n ALA 55 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2wdi h LYS 56 N -1.00 0.00 0.00 0.00 2.10 -1.66 0.12 116.57 116.12 2wdi h LYS 56 Ca -0.24 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.36 2wdi h LYS 56 Cb 1.18 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2wdi h LYS 56 CO -0.14 0.50 -0.28 0.00 -2.00 0.00 0.00 179.45 177.53 2wdi h ARG 57 N 0.00 0.00 0.02 0.07 2.47 -1.77 -2.55 114.38 112.62 2wdi h ARG 57 Ca -0.01 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.45 2wdi h ARG 57 Cb 0.92 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.21 2wdi h ARG 57 CO 0.07 0.28 -1.39 1.25 0.56 0.00 0.00 179.97 180.73 2wdi h LEU 58 N 0.00 0.06 -2.19 3.04 5.85 -1.25 -3.26 115.31 117.55 2wdi h LEU 58 Ca -0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2wdi h LEU 58 Cb 0.64 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2wdi h LEU 58 CO 0.04 1.08 0.02 0.00 -0.34 0.00 0.00 178.44 179.23 2wdi n ALA 59 N -2.49 2.80 0.00 1.25 0.00 0.29 -2.66 120.51 119.69 2wdi n ALA 59 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2wdi n ALA 59 Cb 1.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2wdi n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wdi n GLU 60 N 0.60 0.00 -0.00 0.00 4.07 -1.20 -3.64 120.64 120.46 2wdi n GLU 60 Ca 0.02 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.22 2wdi n GLU 60 Cb 0.53 -0.82 0.64 0.00 -0.06 0.00 0.00 31.44 31.72 2wdi n GLU 60 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2wdi n ARG 61 N -2.41 1.01 -0.01 5.31 3.00 -1.09 -1.95 116.66 120.52 2wdi n ARG 61 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 2wdi n ARG 61 Cb 0.41 -1.34 -0.02 0.00 0.00 0.00 0.00 32.46 31.51 2wdi n ARG 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2wdi n LYS 62 N -0.83 1.73 -0.11 5.56 0.00 -1.17 -3.79 118.16 119.56 2wdi n LYS 62 Ca 0.16 -0.01 0.10 0.00 0.00 0.00 0.00 58.31 58.56 2wdi n LYS 62 Cb 0.08 -1.06 0.32 0.00 0.00 0.00 0.00 35.03 34.37 2wdi n LYS 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wdi n ALA 63 N -1.82 2.50 0.00 3.14 0.00 -1.03 -2.77 120.51 120.53 2wdi n ALA 63 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2wdi n ALA 63 Cb 0.30 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2wdi n ALA 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdi n GLU 64 N 0.47 1.31 0.18 0.00 -0.58 -0.82 -4.01 120.64 117.18 2wdi n GLU 64 Ca 0.16 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 57.01 2wdi n GLU 64 Cb 0.35 -0.94 0.12 0.00 -0.57 0.00 0.00 31.44 30.40 2wdi n GLU 64 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdi h ALA 65 N 0.00 0.83 0.00 0.62 0.00 -1.65 -3.18 119.26 115.89 2wdi h ALA 65 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2wdi h ALA 65 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2wdi h ALA 65 CO 0.00 0.00 -1.84 0.39 0.00 0.00 0.00 179.25 177.80 2wdi n GLU 66 N -2.93 0.65 -0.86 0.00 -0.58 -1.11 -3.49 120.64 112.31 2wdi n GLU 66 Ca 0.03 0.01 -0.04 0.00 -0.42 0.00 0.00 57.16 56.73 2wdi n GLU 66 Cb 0.53 -1.63 0.26 0.00 -0.57 0.00 0.00 31.44 30.03 2wdi n GLU 66 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wdi n ARG 67 N -2.61 3.39 0.00 3.49 1.74 -1.23 -2.24 116.66 119.20 2wdi n ARG 67 Ca -0.13 -2.58 0.00 0.00 -0.77 0.00 0.00 57.85 54.37 2wdi n ARG 67 Cb 0.81 -2.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2wdi n ARG 67 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wdi n LEU 68 N -0.03 0.00 -0.05 0.55 0.00 -1.20 -4.77 117.00 111.50 2wdi n LEU 68 Ca 0.34 -0.01 -0.08 0.00 0.00 0.00 0.00 56.01 56.25 2wdi n LEU 68 Cb 1.22 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 44.59 2wdi n LEU 68 CO 0.37 0.02 -0.84 1.17 0.00 0.00 0.00 177.39 178.10 2wdi n LYS 69 N 0.00 0.25 0.00 1.96 4.81 -1.11 -2.80 118.16 121.26 2wdi n LYS 69 Ca 0.00 0.07 0.07 0.00 -0.87 0.00 0.00 58.31 57.58 2wdi n LYS 69 Cb 0.40 -1.11 0.42 0.00 0.02 0.00 0.00 35.03 34.77 2wdi n LYS 69 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wdi n GLU 70 N -3.00 0.87 0.02 1.64 -0.58 -0.95 -3.54 120.64 115.10 2wdi n GLU 70 Ca -0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 2wdi n GLU 70 Cb 0.68 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 2wdi n GLU 70 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2wdi n ILE 71 N -0.76 0.01 -1.57 -3.67 -5.35 -1.26 -4.88 119.36 101.89 2wdi n ILE 71 Ca 0.11 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.30 2wdi n ILE 71 Cb 0.05 -0.58 -0.04 0.00 -1.74 0.00 0.00 39.64 37.33 2wdi n ILE 71 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 2wdi n LEU 72 N -2.68 6.66 0.00 7.28 -0.00 -1.12 -3.56 117.00 123.57 2wdi n LEU 72 Ca 0.00 -4.20 0.00 0.00 -0.00 0.00 0.00 56.01 51.81 2wdi n LEU 72 Cb 0.03 -1.22 0.00 0.00 -0.00 0.00 0.00 43.42 42.23 2wdi n LEU 72 CO 0.00 1.75 0.00 1.21 -0.00 0.00 0.00 177.39 180.35 2wdi n GLU 73 N 0.74 0.00 0.26 1.96 2.13 -1.23 -4.52 120.64 119.97 2wdi n GLU 73 Ca 0.50 0.00 0.16 0.00 0.66 0.00 0.00 57.16 58.48 2wdi n GLU 73 Cb 0.50 -0.33 0.53 0.00 0.27 0.00 0.00 31.44 32.41 2wdi n GLU 73 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 2wdi h ASN 74 N 0.00 0.00 -4.01 4.31 7.08 -1.77 -3.42 115.58 117.77 2wdi h ASN 74 Ca 0.00 0.00 -0.51 0.00 -3.08 0.00 0.00 56.30 52.71 2wdi h ASN 74 Cb 0.00 0.00 0.07 0.00 -2.08 0.00 0.00 38.32 36.31 2wdi h ASN 74 CO 0.00 0.00 0.50 -0.76 -2.08 0.00 0.00 177.43 175.09 2wdi s LEU 75 N -6.17 3.99 0.00 6.14 1.02 -1.26 -4.94 118.68 117.46 2wdi s LEU 75 Ca 0.03 2.35 0.03 0.00 0.02 0.00 0.00 54.13 56.56 2wdi s LEU 75 Cb 0.08 -4.25 -0.01 0.00 0.02 0.00 0.00 46.19 42.04 2wdi s LEU 75 CO 0.58 -0.98 0.32 0.35 0.02 0.00 0.00 176.35 176.63 2wdi n THR 76 N -0.55 0.00 -0.98 5.49 -2.24 -1.25 -3.31 114.28 111.45 2wdi n THR 76 Ca 0.08 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2wdi n THR 76 Cb 0.48 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 2wdi n THR 76 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wdi n LEU 77 N -0.52 0.00 -4.45 3.22 4.77 -1.18 -2.36 117.00 116.48 2wdi n LEU 77 Ca 0.01 0.14 -0.26 0.00 -0.03 0.00 0.00 56.01 55.87 2wdi n LEU 77 Cb 0.05 -1.36 -0.11 0.00 -2.33 0.00 0.00 43.42 39.67 2wdi n LEU 77 CO 0.04 0.00 -0.51 -0.89 -1.33 0.00 0.00 177.39 174.70 2wdi s THR 78 N -2.44 2.47 -0.00 -5.08 2.01 -1.26 0.49 115.64 111.82 2wdi s THR 78 Ca 0.00 -2.07 0.02 0.00 0.31 0.00 0.00 61.69 59.95 2wdi s THR 78 Cb 0.00 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 2wdi s THR 78 CO 0.00 -0.17 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.06 2wdi s ILE 79 N -1.85 0.53 -1.94 1.82 -1.09 0.15 -4.88 121.20 113.95 2wdi s ILE 79 Ca 0.23 -0.32 0.03 0.00 -2.23 0.00 0.00 60.65 58.36 2wdi s ILE 79 Cb -0.07 -0.45 0.10 0.00 -1.58 0.00 0.00 42.46 40.45 2wdi s ILE 79 CO 0.11 0.13 1.06 -0.81 -1.23 0.00 0.00 174.94 174.20 2wdi n PRO 80 N 2.85 1.28 -0.03 2.79 -0.04 -1.26 -1.41 135.00 139.19 2wdi n PRO 80 Ca -0.13 -0.42 -0.01 0.00 -0.04 0.00 0.00 63.50 62.90 2wdi n PRO 80 Cb 0.58 -1.12 -0.00 0.00 -0.04 0.00 0.00 33.50 32.92 2wdi n PRO 80 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wdi n VAL 81 N -0.15 0.00 -2.27 0.52 0.31 -1.26 -4.61 118.33 110.87 2wdi n VAL 81 Ca 0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.97 2wdi n VAL 81 Cb 0.11 -0.01 -0.03 0.00 -0.91 0.00 0.00 33.84 33.01 2wdi n VAL 81 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2wdi s ARG 82 N 0.05 3.02 0.00 5.55 3.52 -1.26 -4.16 118.95 125.67 2wdi s ARG 82 Ca 0.02 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 2wdi s ARG 82 Cb -0.03 -4.24 0.00 0.00 -1.56 0.00 0.00 34.95 29.12 2wdi s ARG 82 CO 0.01 -2.28 0.00 0.00 -0.81 0.00 0.00 175.30 172.22 2wdi n ALA 83 N 10.79 0.00 0.00 6.12 0.00 -1.26 -2.82 120.51 133.34 2wdi n ALA 83 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2wdi n ALA 83 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2wdi n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdi n GLY 84 N 0.00 -0.70 1.86 0.00 0.00 -1.26 -4.46 105.19 100.63 2wdi n GLY 84 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.83 2wdi n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdi n GLU 85 N 0.00 0.00 0.00 1.61 -0.58 -1.26 -4.96 120.64 115.45 2wdi n GLU 85 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2wdi n GLU 85 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2wdi n GLU 85 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2wdi n THR 86 N 0.00 0.00 -1.54 2.62 -2.24 -1.26 -4.56 114.28 107.29 2wdi n THR 86 Ca 0.00 0.00 -0.52 0.00 -2.27 0.00 0.00 64.05 61.26 2wdi n THR 86 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 2wdi n THR 86 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2wdi n LYS 87 N -0.91 0.75 -0.58 -0.78 2.85 -1.26 -4.48 118.16 113.74 2wdi n LYS 87 Ca 0.00 0.27 -0.30 0.00 -1.05 0.00 0.00 58.31 57.23 2wdi n LYS 87 Cb 0.00 -1.76 0.21 0.00 -0.65 0.00 0.00 35.03 32.83 2wdi n LYS 87 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2wdi n ILE 88 N 1.63 0.00 0.09 0.58 2.08 -1.15 -4.84 119.36 117.76 2wdi n ILE 88 Ca 0.17 -0.24 -0.06 0.00 0.56 0.00 0.00 62.75 63.19 2wdi n ILE 88 Cb 0.19 -0.96 0.08 0.00 -0.75 0.00 0.00 39.64 38.20 2wdi n ILE 88 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 2wdi h TYR 89 N -2.27 0.25 -2.89 1.39 -1.99 -1.88 -3.44 116.97 106.14 2wdi h TYR 89 Ca -0.52 -0.11 -0.45 0.00 2.00 0.00 0.00 58.73 59.65 2wdi h TYR 89 Cb 1.30 -0.04 -0.14 0.00 2.00 0.00 0.00 36.73 39.86 2wdi h TYR 89 CO 0.37 0.83 -0.70 0.20 -0.00 0.00 0.00 178.16 178.86 2wdi s GLY 90 N -4.42 1.57 0.00 3.88 0.00 -1.26 -5.14 107.32 101.94 2wdi s GLY 90 Ca -0.03 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.94 2wdi s GLY 90 CO 0.80 -1.76 0.00 -1.14 0.00 0.00 0.00 173.10 171.00 2wdi n SER 91 N -0.45 0.00 -2.42 1.64 3.41 -1.26 -4.43 113.62 110.11 2wdi n SER 91 Ca -0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.51 2wdi n SER 91 Cb 0.62 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.64 2wdi n SER 91 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2wdi n VAL 92 N 0.00 0.00 0.00 -3.33 3.14 -1.26 -4.61 118.33 112.27 2wdi n VAL 92 Ca 0.00 -0.82 0.00 0.00 -2.96 0.00 0.00 64.34 60.56 2wdi n VAL 92 Cb 0.00 0.79 0.00 0.00 -1.06 0.00 0.00 33.84 33.57 2wdi n VAL 92 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2wdi n THR 93 N -0.74 0.00 0.00 1.55 -2.24 -1.26 -4.69 114.28 106.90 2wdi n THR 93 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2wdi n THR 93 Cb 0.74 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 2wdi n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdi n ALA 94 N -1.76 -0.05 0.02 6.98 0.00 -1.26 -2.62 120.51 121.82 2wdi n ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdi n ALA 94 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.60 2wdi n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdi n LYS 95 N -1.09 0.02 -0.05 0.00 5.02 -1.26 -1.37 118.16 119.43 2wdi n LYS 95 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 2wdi n LYS 95 Cb 0.00 -1.08 -0.13 0.00 -0.02 0.00 0.00 35.03 33.79 2wdi n LYS 95 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2wdi n ASP 96 N 0.57 2.07 0.04 4.39 10.43 -1.08 -3.62 116.55 129.34 2wdi n ASP 96 Ca 0.00 0.08 -0.02 0.00 2.57 0.00 0.00 54.79 57.43 2wdi n ASP 96 Cb 0.01 -0.69 -0.08 0.00 1.84 0.00 0.00 41.12 42.19 2wdi n ASP 96 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 2wdi h ILE 97 N 0.01 0.71 0.00 0.53 2.04 -1.36 -3.28 117.51 116.16 2wdi h ILE 97 Ca -0.49 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.12 2wdi h ILE 97 Cb 1.97 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 40.27 2wdi h ILE 97 CO 0.01 0.40 0.00 0.00 0.00 0.00 0.00 178.15 178.56 2wdi n ALA 98 N -2.39 -0.07 0.00 1.87 0.00 -1.13 -2.07 120.51 116.72 2wdi n ALA 98 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2wdi n ALA 98 Cb 0.87 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.36 2wdi n ALA 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdi n GLU 99 N -0.81 0.00 -2.17 0.00 1.02 -1.24 0.38 120.64 117.82 2wdi n GLU 99 Ca 0.00 0.27 -0.34 0.00 -0.02 0.00 0.00 57.16 57.08 2wdi n GLU 99 Cb 0.00 -1.58 0.02 0.00 -0.02 0.00 0.00 31.44 29.87 2wdi n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wdi n ALA 100 N -1.24 5.83 0.00 0.62 0.00 -0.88 -4.03 120.51 120.81 2wdi n ALA 100 Ca 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 53.44 49.24 2wdi n ALA 100 Cb 0.08 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2wdi n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wdi n LEU 101 N -0.52 0.00 0.23 0.00 7.94 0.12 -4.74 117.00 120.03 2wdi n LEU 101 Ca 0.47 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 55.43 2wdi n LEU 101 Cb 0.45 0.00 0.56 0.00 0.53 0.00 0.00 43.42 44.96 2wdi n LEU 101 CO 0.43 0.00 1.00 0.28 -1.11 0.00 0.00 177.39 177.99 2wdi h SER 102 N 0.00 0.03 0.00 1.96 0.02 0.10 0.30 113.55 115.97 2wdi h SER 102 Ca 0.00 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2wdi h SER 102 Cb 0.00 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2wdi h SER 102 CO 0.00 0.11 -1.46 0.54 -1.14 0.00 0.00 176.83 174.88 2wdi n ARG 103 N -4.44 0.61 0.31 3.45 1.74 -1.26 -4.22 116.66 112.86 2wdi n ARG 103 Ca -0.02 0.04 0.21 0.00 -0.77 0.00 0.00 57.85 57.30 2wdi n ARG 103 Cb 0.16 -1.16 1.10 0.00 -1.02 0.00 0.00 32.46 31.54 2wdi n ARG 103 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2wdi h GLN 104 N 0.00 0.00 0.00 5.56 4.15 -1.69 -3.42 115.11 119.72 2wdi h GLN 104 Ca -0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2wdi h GLN 104 Cb 1.30 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.99 2wdi h GLN 104 CO -0.02 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.60 2wdi n HIS 105 N -2.95 0.00 0.00 3.99 8.25 0.03 -4.82 115.22 119.72 2wdi n HIS 105 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2wdi n HIS 105 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 2wdi n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdi n GLY 106 N 0.00 0.00 3.02 -1.41 0.00 -0.80 -4.97 105.19 101.03 2wdi n GLY 106 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2wdi n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdi s VAL 107 N 0.00 1.02 -0.28 1.61 1.01 -1.15 -5.01 120.40 117.59 2wdi s VAL 107 Ca 0.00 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 2wdi s VAL 107 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.45 2wdi s VAL 107 CO 0.00 0.32 1.27 -0.89 0.00 0.00 0.00 175.10 175.80 2wdi s THR 108 N 0.50 4.20 0.19 3.92 2.01 -1.26 -2.79 115.64 122.41 2wdi s THR 108 Ca -0.10 1.37 -0.19 0.00 0.31 0.00 0.00 61.69 63.08 2wdi s THR 108 Cb -0.13 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.13 2wdi s THR 108 CO 0.02 -0.43 0.69 -0.63 -0.69 0.00 0.00 174.62 173.58 2wdi s ILE 109 N 4.18 4.61 -0.88 1.82 1.09 -1.26 -5.03 121.20 125.72 2wdi s ILE 109 Ca 0.55 1.24 0.00 0.00 -1.10 0.00 0.00 60.65 61.34 2wdi s ILE 109 Cb -0.17 -3.86 0.28 0.00 -1.06 0.00 0.00 42.46 37.65 2wdi s ILE 109 CO 0.21 0.27 1.17 -0.67 -0.10 0.00 0.00 174.94 175.82 2wdi n ASP 110 N 0.89 5.29 -2.83 3.58 -0.08 -1.26 -4.98 116.55 117.17 2wdi n ASP 110 Ca -0.04 -3.44 0.00 0.00 -1.51 0.00 0.00 54.79 49.80 2wdi n ASP 110 Cb 0.51 -1.00 0.00 0.00 2.34 0.00 0.00 41.12 42.97 2wdi n ASP 110 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2wdi n PRO 111 N 1.06 0.00 0.00 -0.67 -0.04 -1.26 -2.90 135.00 131.19 2wdi n PRO 111 Ca 0.28 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2wdi n PRO 111 Cb 0.36 -0.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 2wdi n PRO 111 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wdi n LYS 112 N 2.27 0.00 -2.02 0.54 5.02 -1.26 -4.78 118.16 117.93 2wdi n LYS 112 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2wdi n LYS 112 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wdi n LYS 112 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2wdi n ARG 113 N -1.75 4.43 0.00 1.97 0.00 -1.14 -4.46 116.66 115.70 2wdi n ARG 113 Ca 0.00 -3.43 0.08 0.00 -0.00 0.00 0.00 57.85 54.50 2wdi n ARG 113 Cb 0.00 -2.68 -0.07 0.00 -0.00 0.00 0.00 32.46 29.71 2wdi n ARG 113 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2wdi n LEU 114 N 2.10 1.06 -0.27 2.89 4.77 -1.26 -3.48 117.00 122.81 2wdi n LEU 114 Ca 0.60 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2wdi n LEU 114 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2wdi n LEU 114 CO 0.71 0.24 0.00 0.00 -1.33 0.00 0.00 177.39 177.01 2wdi n ALA 115 N -1.02 0.00 -3.37 -1.18 0.00 -1.26 -3.91 120.51 109.77 2wdi n ALA 115 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 2wdi n ALA 115 Cb 0.29 -0.30 -0.15 0.00 0.00 0.00 0.00 19.45 19.29 2wdi n ALA 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2wdi s LEU 116 N -0.54 1.50 0.00 0.00 2.96 -1.26 -4.59 118.68 116.75 2wdi s LEU 116 Ca 0.00 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2wdi s LEU 116 Cb 0.00 -0.21 0.00 0.00 0.50 0.00 0.00 46.19 46.48 2wdi s LEU 116 CO 0.00 -0.04 0.00 -1.84 -1.32 0.00 0.00 176.35 173.15 2wdi n GLU 117 N 3.70 1.88 -1.63 1.98 0.28 -1.26 -4.95 120.64 120.63 2wdi n GLU 117 Ca -0.22 0.00 -0.58 0.00 -0.16 0.00 0.00 57.16 56.20 2wdi n GLU 117 Cb 0.54 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.33 2wdi n GLU 117 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2wdi n LYS 118 N 0.00 0.66 -1.79 3.44 0.00 -1.26 -4.78 118.16 114.43 2wdi n LYS 118 Ca 0.00 0.24 -0.42 0.00 0.00 0.00 0.00 58.31 58.13 2wdi n LYS 118 Cb 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 35.03 33.17 2wdi n LYS 118 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2wdi s PRO 119 N 1.71 4.15 0.00 1.64 0.04 -1.26 -4.96 135.00 136.33 2wdi s PRO 119 Ca 0.94 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.52 2wdi s PRO 119 Cb -1.17 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 30.24 2wdi s PRO 119 CO 0.61 -0.72 0.00 -0.89 0.04 0.00 0.00 177.00 176.05 2wdi n ILE 120 N 4.03 0.00 -0.54 0.56 5.41 -1.26 -4.56 119.36 123.00 2wdi n ILE 120 Ca 0.15 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.90 2wdi n ILE 120 Cb 0.36 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.29 2wdi n ILE 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2wdi n LYS 121 N 0.00 0.00 0.00 0.38 3.00 -1.26 -4.92 118.16 115.35 2wdi n LYS 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2wdi n LYS 121 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 35.03 34.47 2wdi n LYS 121 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2wdi n GLU 122 N -0.16 0.00 -0.48 1.64 0.00 -1.26 -2.91 120.64 117.48 2wdi n GLU 122 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.89 2wdi n GLU 122 Cb 0.11 0.00 0.21 0.00 0.00 0.00 0.00 31.44 31.76 2wdi n GLU 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2wdi n LEU 123 N 0.00 -1.45 0.00 4.31 4.77 -1.26 -4.83 117.00 118.54 2wdi n LEU 123 Ca 0.00 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 2wdi n LEU 123 Cb 0.00 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 2wdi n LEU 123 CO 0.00 -3.58 0.00 0.61 -1.33 0.00 0.00 177.39 173.09 2wdi n GLY 124 N 1.98 0.98 3.73 -0.72 0.00 -1.25 -5.03 105.19 104.88 2wdi n GLY 124 Ca 0.06 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 2wdi n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdi s GLU 125 N -1.01 4.25 -0.13 1.61 0.41 -1.26 -3.24 118.70 119.32 2wdi s GLU 125 Ca 0.00 0.15 -0.01 0.00 -0.41 0.00 0.00 54.97 54.70 2wdi s GLU 125 Cb 0.00 -3.42 0.04 0.00 -1.78 0.00 0.00 34.13 28.97 2wdi s GLU 125 CO 0.00 0.25 -0.04 0.71 -0.49 0.00 0.00 175.26 175.69 2wdi s TYR 126 N 0.42 1.29 -0.27 1.61 4.12 -0.89 -5.01 117.35 118.61 2wdi s TYR 126 Ca 0.18 -0.72 -0.13 0.00 0.02 0.00 0.00 57.07 56.42 2wdi s TYR 126 Cb -0.13 -1.12 -0.04 0.00 -1.52 0.00 0.00 41.96 39.14 2wdi s TYR 126 CO 0.05 -0.51 0.27 0.08 0.02 0.00 0.00 175.55 175.46 2wdi s VAL 127 N 1.77 5.25 0.00 0.71 1.01 -1.26 0.17 120.40 128.05 2wdi s VAL 127 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2wdi s VAL 127 Cb -0.14 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2wdi s VAL 127 CO -0.07 0.21 0.00 0.18 0.00 0.00 0.00 175.10 175.42 2wdi n LEU 128 N 5.15 0.00 0.00 3.92 4.77 -0.30 -4.95 117.00 125.59 2wdi n LEU 128 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2wdi n LEU 128 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2wdi n LEU 128 CO 0.35 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.76 2wdi n THR 129 N 0.00 0.00 -3.71 -5.08 -2.24 -1.25 -4.13 114.28 97.87 2wdi n THR 129 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2wdi n THR 129 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2wdi n THR 129 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2wdi s TYR 130 N -7.47 -0.01 0.41 4.78 5.04 -1.14 -4.31 117.35 114.65 2wdi s TYR 130 Ca 0.00 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.57 2wdi s TYR 130 Cb 0.00 0.54 0.00 0.00 0.35 0.00 0.00 41.96 42.85 2wdi s TYR 130 CO 0.00 -0.20 0.00 1.63 -1.34 0.00 0.00 175.55 175.64 2wdi n LYS 131 N -0.61 -2.50 -0.06 4.97 4.01 -1.23 -3.61 118.16 119.13 2wdi n LYS 131 Ca -0.05 1.92 -0.08 0.00 -0.51 0.00 0.00 58.31 59.59 2wdi n LYS 131 Cb 0.62 -2.96 -0.07 0.00 -0.51 0.00 0.00 35.03 32.11 2wdi n LYS 131 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 2wdi h PRO 132 N -1.09 0.00 0.00 1.97 0.11 -1.96 -3.46 132.00 127.56 2wdi h PRO 132 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2wdi h PRO 132 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wdi h PRO 132 CO 0.04 0.52 0.00 -2.39 -0.21 0.00 0.00 178.00 175.97 2wdi n HIS 133 N -4.67 0.00 -1.29 0.65 1.44 -1.26 -4.92 115.22 105.17 2wdi n HIS 133 Ca -0.07 0.00 -0.59 0.00 -2.01 0.00 0.00 57.72 55.05 2wdi n HIS 133 Cb 0.28 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.28 2wdi n HIS 133 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 2wdi n PRO 134 N 0.00 0.00 -3.50 -1.40 -0.02 -1.26 -4.86 135.00 123.95 2wdi n PRO 134 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 2wdi n PRO 134 Cb 0.00 -1.43 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 2wdi n PRO 134 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2wdi s GLU 135 N 5.09 3.86 -0.46 -0.52 2.02 -1.26 -4.86 118.70 122.56 2wdi s GLU 135 Ca 1.11 0.32 -0.06 0.00 0.02 0.00 0.00 54.97 56.36 2wdi s GLU 135 Cb -1.43 -3.05 0.12 0.00 0.10 0.00 0.00 34.13 29.88 2wdi s GLU 135 CO 0.66 0.58 0.30 0.54 0.02 0.00 0.00 175.26 177.36 2wdi s VAL 136 N -1.32 3.82 -0.65 2.63 0.11 -1.24 -4.86 120.40 118.89 2wdi s VAL 136 Ca 0.32 -2.00 -0.22 0.00 -2.93 0.00 0.00 61.98 57.14 2wdi s VAL 136 Cb -0.15 -3.55 0.07 0.00 -1.53 0.00 0.00 36.38 31.22 2wdi s VAL 136 CO 0.17 -0.75 0.95 -2.16 -3.33 0.00 0.00 175.10 169.98 2wdi s PRO 137 N 1.15 3.12 0.08 1.54 0.04 -1.26 -2.87 135.00 136.80 2wdi s PRO 137 Ca 0.08 -0.82 -0.16 0.00 0.04 0.00 0.00 61.00 60.14 2wdi s PRO 137 Cb -0.24 -4.22 -0.06 0.00 0.04 0.00 0.00 34.50 30.02 2wdi s PRO 137 CO -0.03 -1.79 0.51 0.96 0.04 0.00 0.00 177.00 176.69 2wdi s ILE 138 N 4.01 4.89 0.18 0.56 -4.36 -1.26 -4.72 121.20 120.50 2wdi s ILE 138 Ca 0.22 0.91 -0.13 0.00 -0.26 0.00 0.00 60.65 61.40 2wdi s ILE 138 Cb -0.17 -3.77 -0.07 0.00 1.25 0.00 0.00 42.46 39.70 2wdi s ILE 138 CO 0.11 0.43 0.56 -1.58 0.24 0.00 0.00 174.94 174.69 2wdi s GLN 139 N -1.47 3.93 -0.06 0.37 0.74 -1.21 -1.15 119.66 120.81 2wdi s GLN 139 Ca 0.31 0.44 0.01 0.00 0.05 0.00 0.00 55.36 56.17 2wdi s GLN 139 Cb -0.17 -2.82 0.02 0.00 1.10 0.00 0.00 33.01 31.15 2wdi s GLN 139 CO 0.18 0.41 -0.08 -1.17 -0.55 0.00 0.00 175.29 174.07 2wdi s LEU 140 N -2.28 1.44 -0.10 3.68 2.96 0.46 -3.12 118.68 121.71 2wdi s LEU 140 Ca 0.42 -0.22 -0.18 0.00 -0.22 0.00 0.00 54.13 53.92 2wdi s LEU 140 Cb -0.14 -0.66 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 2wdi s LEU 140 CO 0.20 -0.02 0.48 -0.54 -1.32 0.00 0.00 176.35 175.15 2wdi s LYS 141 N 0.90 4.31 -0.41 1.98 1.02 0.18 -2.10 119.74 125.62 2wdi s LYS 141 Ca -0.11 0.47 -0.05 0.00 0.02 0.00 0.00 55.97 56.30 2wdi s LYS 141 Cb -0.15 -3.42 0.10 0.00 -0.52 0.00 0.00 37.83 33.85 2wdi s LYS 141 CO 0.01 0.20 0.23 0.08 -0.92 0.00 0.00 175.35 174.95 2wdi s VAL 142 N 0.46 3.62 0.00 3.17 1.01 -1.20 -0.67 120.40 126.79 2wdi s VAL 142 Ca 0.26 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.41 2wdi s VAL 142 Cb -0.15 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2wdi s VAL 142 CO 0.11 -0.63 0.00 -0.24 0.00 0.00 0.00 175.10 174.34 2wdi n SER 143 N 4.72 0.00 0.00 3.32 2.88 -0.50 -3.92 113.62 120.12 2wdi n SER 143 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2wdi n SER 143 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2wdi n SER 143 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2wdi n VAL 144 N 0.00 0.00 -0.36 2.46 0.24 -1.26 -4.16 118.33 115.25 2wdi n VAL 144 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 2wdi n VAL 144 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 2wdi n VAL 144 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2wdi n VAL 145 N 0.00 0.00 0.00 3.34 0.31 -1.26 -4.82 118.33 115.89 2wdi n VAL 145 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2wdi n VAL 145 Cb 0.00 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 2wdi n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51