#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi6 s SER 63 N 0.00 5.09 0.23 1.61 0.01 -1.26 -4.95 113.70 114.42 1wi6 s SER 63 Ca 0.00 1.02 -0.17 0.00 1.31 0.00 0.00 55.95 58.11 1wi6 s SER 63 Cb 0.00 -2.51 -0.08 0.00 0.21 0.00 0.00 66.02 63.63 1wi6 s SER 63 CO 0.00 -2.39 0.69 -0.44 0.41 0.00 0.00 173.24 171.51 1wi6 s SER 64 N 9.33 6.94 -0.06 2.44 0.01 -1.26 -5.08 113.70 126.03 1wi6 s SER 64 Ca 0.86 1.31 -0.00 0.00 1.31 0.00 0.00 55.95 59.43 1wi6 s SER 64 Cb -0.19 -2.38 0.03 0.00 0.21 0.00 0.00 66.02 63.69 1wi6 s SER 64 CO 0.27 -0.00 -0.02 -0.83 0.41 0.00 0.00 173.24 173.07 1wi6 s GLY 65 N -1.80 0.44 -0.17 3.44 0.00 -1.26 -4.99 107.32 102.98 1wi6 s GLY 65 Ca 0.44 -0.07 -0.04 0.00 0.00 0.00 0.00 44.72 45.05 1wi6 s GLY 65 CO 0.20 0.81 0.18 -0.45 0.00 0.00 0.00 173.10 173.84 1wi6 s SER 66 N 1.46 1.46 0.55 1.64 0.15 -1.26 -4.90 113.70 112.80 1wi6 s SER 66 Ca -0.03 -0.19 0.07 0.00 0.70 0.00 0.00 55.95 56.50 1wi6 s SER 66 Cb -0.13 0.22 0.07 0.00 -1.71 0.00 0.00 66.02 64.47 1wi6 s SER 66 CO -0.03 -0.31 0.76 -0.94 1.20 0.00 0.00 173.24 173.91 1wi6 s SER 67 N 2.28 5.16 0.00 5.45 1.04 -1.26 -4.29 113.70 122.08 1wi6 s SER 67 Ca 0.05 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1wi6 s SER 67 Cb -0.15 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.87 1wi6 s SER 67 CO -0.10 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.49 1wi6 n GLY 68 N -2.23 2.79 3.30 7.32 0.00 -1.26 -4.69 105.19 110.43 1wi6 n GLY 68 Ca 0.13 -1.43 -0.17 0.00 0.00 0.00 0.00 46.02 44.54 1wi6 n GLY 68 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wi6 s ILE 69 N -0.39 1.53 -0.04 -0.61 -5.25 -0.95 -2.36 121.20 113.12 1wi6 s ILE 69 Ca 0.00 -2.08 -0.02 0.00 -0.99 0.00 0.00 60.65 57.57 1wi6 s ILE 69 Cb 0.00 -1.90 0.03 0.00 2.95 0.00 0.00 42.46 43.54 1wi6 s ILE 69 CO 0.00 -0.59 0.07 -0.22 -1.79 0.00 0.00 174.94 172.41 1wi6 s LEU 70 N -3.10 0.44 -0.03 0.37 2.96 0.21 -3.64 118.68 115.89 1wi6 s LEU 70 Ca 0.18 0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 1wi6 s LEU 70 Cb -0.01 -0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.63 1wi6 s LEU 70 CO 0.05 -0.21 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.13 1wi6 s ILE 71 N 1.78 3.33 -0.06 6.68 1.01 -1.08 -1.36 121.20 131.50 1wi6 s ILE 71 Ca -0.01 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.94 1wi6 s ILE 71 Cb -0.12 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1wi6 s ILE 71 CO -0.04 0.51 -0.16 -0.13 0.00 0.00 0.00 174.94 175.12 1wi6 s ARG 72 N -1.02 1.96 0.00 2.79 0.52 0.82 -3.18 118.95 120.84 1wi6 s ARG 72 Ca 0.14 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 1wi6 s ARG 72 Cb -0.11 -1.62 0.00 0.00 0.52 0.00 0.00 34.95 33.74 1wi6 s ARG 72 CO 0.03 0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.91 1wi6 n GLY 73 N 3.46 -0.03 3.79 -3.53 0.00 -0.99 -2.64 105.19 105.25 1wi6 n GLY 73 Ca -0.20 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 1wi6 n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wi6 s LEU 74 N -0.58 3.83 0.63 0.99 1.43 -1.09 -4.86 118.68 119.04 1wi6 s LEU 74 Ca 0.00 -0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 52.91 1wi6 s LEU 74 Cb 0.00 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 1wi6 s LEU 74 CO 0.00 0.14 1.11 -2.16 0.23 0.00 0.00 176.35 175.68 1wi6 s PRO 75 N -2.61 2.95 0.00 1.29 0.04 -1.26 -4.89 135.00 130.51 1wi6 s PRO 75 Ca 0.30 1.44 0.05 0.00 0.04 0.00 0.00 61.00 62.83 1wi6 s PRO 75 Cb -0.12 -1.97 0.24 0.00 0.04 0.00 0.00 34.50 32.70 1wi6 s PRO 75 CO 0.23 -1.14 1.01 0.41 0.04 0.00 0.00 177.00 177.55 1wi6 n GLY 76 N -0.36 -0.48 0.22 0.56 0.00 -1.26 -0.97 105.19 102.91 1wi6 n GLY 76 Ca 0.11 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1wi6 n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wi6 n ASP 77 N -1.32 2.61 -4.65 1.61 8.00 -1.26 -5.02 116.55 116.53 1wi6 n ASP 77 Ca 0.02 -2.98 -0.43 0.00 0.71 0.00 0.00 54.79 52.11 1wi6 n ASP 77 Cb 0.04 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 1wi6 n ASP 77 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wi6 s VAL 78 N -2.71 3.68 0.36 2.53 0.11 -0.14 -5.00 120.40 119.23 1wi6 s VAL 78 Ca 0.31 0.80 0.09 0.00 -2.93 0.00 0.00 61.98 60.25 1wi6 s VAL 78 Cb 0.27 -3.59 -0.07 0.00 -1.53 0.00 0.00 36.38 31.47 1wi6 s VAL 78 CO 0.04 -0.15 -0.05 0.28 -3.33 0.00 0.00 175.10 171.89 1wi6 s THR 79 N 4.50 2.24 0.33 5.04 -1.32 -1.26 -4.97 115.64 120.21 1wi6 s THR 79 Ca 0.71 -2.12 0.03 0.00 -1.21 0.00 0.00 61.69 59.11 1wi6 s THR 79 Cb -0.29 -2.75 0.29 0.00 -1.51 0.00 0.00 72.50 68.23 1wi6 s THR 79 CO 0.28 -0.15 1.94 -0.55 -2.21 0.00 0.00 174.62 173.93 1wi6 h ASN 80 N 1.92 0.78 -0.88 8.08 7.08 -1.97 -1.39 115.58 129.21 1wi6 h ASN 80 Ca -0.43 0.00 0.03 0.00 -3.08 0.00 0.00 56.30 52.82 1wi6 h ASN 80 Cb 1.25 -0.17 -0.05 0.00 -2.08 0.00 0.00 38.32 37.27 1wi6 h ASN 80 CO 0.72 0.51 0.58 -0.61 -2.08 0.00 0.00 177.43 176.55 1wi6 h GLN 81 N 0.89 1.10 -0.35 4.14 5.75 -1.98 0.20 115.11 124.86 1wi6 h GLN 81 Ca 0.34 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.75 1wi6 h GLN 81 Cb 0.21 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 1wi6 h GLN 81 CO -0.12 0.73 0.11 1.49 -2.65 0.00 0.00 178.83 178.39 1wi6 h GLU 82 N 1.13 0.55 -0.37 1.69 4.57 -1.66 0.13 114.58 120.61 1wi6 h GLU 82 Ca 0.34 -0.12 -0.16 0.00 -1.18 0.00 0.00 59.36 58.24 1wi6 h GLU 82 Cb -0.04 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1wi6 h GLU 82 CO -0.09 0.57 -0.41 0.28 -1.18 0.00 0.00 179.01 178.18 1wi6 h VAL 83 N 0.42 1.27 -0.15 0.32 2.07 -1.22 -1.77 116.25 117.20 1wi6 h VAL 83 Ca 0.11 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 1wi6 h VAL 83 Cb 0.25 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1wi6 h VAL 83 CO -0.00 0.53 0.01 0.45 0.02 0.00 0.00 177.57 178.57 1wi6 h HIS 84 N 0.76 0.27 -0.10 1.57 3.86 -0.50 -2.88 115.15 118.12 1wi6 h HIS 84 Ca 0.06 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1wi6 h HIS 84 Cb 1.01 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 1wi6 h HIS 84 CO 0.07 0.46 -0.15 0.22 0.86 0.00 0.00 177.93 179.38 1wi6 h ASP 85 N 0.01 0.15 -0.78 2.45 3.58 -0.77 -1.02 116.42 120.04 1wi6 h ASP 85 Ca 0.04 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 1wi6 h ASP 85 Cb 0.35 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.32 1wi6 h ASP 85 CO 0.01 0.32 0.39 0.25 -2.88 0.00 0.00 179.24 177.33 1wi6 h LEU 86 N 0.15 1.01 -3.55 2.28 5.85 -1.12 -2.83 115.31 117.11 1wi6 h LEU 86 Ca 0.03 -0.11 -0.36 0.00 0.84 0.00 0.00 57.88 58.28 1wi6 h LEU 86 Cb 0.37 -0.26 -0.23 0.00 0.37 0.00 0.00 40.66 40.91 1wi6 h LEU 86 CO 0.02 0.85 -0.21 0.18 -0.34 0.00 0.00 178.44 178.94 1wi6 n LEU 87 N -4.32 4.81 -0.01 2.25 4.77 -0.96 -4.67 117.00 118.87 1wi6 n LEU 87 Ca 0.08 -4.18 0.00 0.00 -0.03 0.00 0.00 56.01 51.87 1wi6 n LEU 87 Cb 0.13 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1wi6 n LEU 87 CO 0.39 1.58 0.50 -1.20 -1.33 0.00 0.00 177.39 177.34 1wi6 n SER 88 N -0.96 0.03 -0.03 -1.43 7.64 -0.43 -2.99 113.62 115.45 1wi6 n SER 88 Ca 0.40 -2.00 0.05 0.00 1.01 0.00 0.00 58.87 58.33 1wi6 n SER 88 Cb 0.94 -0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.98 1wi6 n SER 88 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wi6 n ASP 89 N -0.48 0.09 -4.85 6.43 8.00 -1.26 -4.99 116.55 119.48 1wi6 n ASP 89 Ca 0.00 0.04 -0.28 0.00 0.71 0.00 0.00 54.79 55.25 1wi6 n ASP 89 Cb 0.00 1.56 -0.03 0.00 -0.02 0.00 0.00 41.12 42.63 1wi6 n ASP 89 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1wi6 s TYR 90 N -3.21 1.74 -0.54 1.24 1.51 -1.16 -5.07 117.35 111.85 1wi6 s TYR 90 Ca -0.08 -0.87 -0.27 0.00 -1.01 0.00 0.00 57.07 54.84 1wi6 s TYR 90 Cb 0.11 -1.82 0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1wi6 s TYR 90 CO 0.88 -0.22 1.10 -1.21 -1.11 0.00 0.00 175.55 174.99 1wi6 s GLU 91 N -4.14 3.52 -0.90 -0.62 0.41 -1.26 -4.97 118.70 110.74 1wi6 s GLU 91 Ca 0.25 0.20 -0.21 0.00 -0.41 0.00 0.00 54.97 54.80 1wi6 s GLU 91 Cb -0.01 -3.99 0.10 0.00 -1.78 0.00 0.00 34.13 28.45 1wi6 s GLU 91 CO 0.15 -1.54 1.18 -0.51 -0.49 0.00 0.00 175.26 174.05 1wi6 s LEU 92 N 4.53 4.55 0.20 1.80 1.43 -1.26 -3.61 118.68 126.32 1wi6 s LEU 92 Ca 0.41 -1.70 -0.05 0.00 -1.03 0.00 0.00 54.13 51.76 1wi6 s LEU 92 Cb -0.09 -2.44 0.13 0.00 0.03 0.00 0.00 46.19 43.82 1wi6 s LEU 92 CO 0.26 -1.25 1.58 0.11 0.23 0.00 0.00 176.35 177.28 1wi6 h LYS 93 N 9.20 0.76 -2.63 1.70 1.79 -1.85 -3.44 116.57 122.10 1wi6 h LYS 93 Ca 0.08 -0.35 -0.11 0.00 -2.18 0.00 0.00 60.65 58.09 1wi6 h LYS 93 Cb 1.03 -0.01 -0.26 0.00 -1.58 0.00 0.00 32.23 31.41 1wi6 h LYS 93 CO 1.20 0.97 -0.27 -0.47 -1.08 0.00 0.00 179.45 179.80 1wi6 s TYR 94 N -4.45 -0.59 -0.08 -1.35 5.04 -1.12 -5.02 117.35 109.78 1wi6 s TYR 94 Ca -0.09 1.29 0.03 0.00 -2.44 0.00 0.00 57.07 55.86 1wi6 s TYR 94 Cb 0.12 0.26 0.01 0.00 0.35 0.00 0.00 41.96 42.70 1wi6 s TYR 94 CO 0.84 -0.33 -0.16 0.00 -1.34 0.00 0.00 175.55 174.57 1wi6 s PHE 96 N 0.63 0.82 -0.16 0.00 5.36 0.17 -5.01 117.98 119.79 1wi6 s PHE 96 Ca -0.15 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.61 1wi6 s PHE 96 Cb -0.16 -0.65 0.03 0.00 -0.34 0.00 0.00 43.02 41.89 1wi6 s PHE 96 CO 0.04 -0.15 -0.13 0.08 -1.46 0.00 0.00 175.22 173.60 1wi6 s VAL 97 N 0.57 1.57 -0.36 3.12 1.01 -1.26 -1.09 120.40 123.94 1wi6 s VAL 97 Ca -0.08 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1wi6 s VAL 97 Cb -0.12 -1.50 0.09 0.00 0.00 0.00 0.00 36.38 34.86 1wi6 s VAL 97 CO 0.01 0.41 0.11 -0.62 0.00 0.00 0.00 175.10 175.00 1wi6 s ASP 98 N 1.48 5.01 0.00 3.32 -1.08 -0.40 -4.96 116.67 120.04 1wi6 s ASP 98 Ca 0.04 -1.90 -0.21 0.00 -0.52 0.00 0.00 52.55 49.95 1wi6 s ASP 98 Cb -0.13 -1.73 -0.20 0.00 -1.46 0.00 0.00 42.92 39.39 1wi6 s ASP 98 CO -0.10 -0.43 1.15 0.07 0.52 0.00 0.00 175.17 176.38 1wi6 h LYS 99 N 7.89 0.34 -0.09 4.34 2.10 -1.93 -0.32 116.57 128.89 1wi6 h LYS 99 Ca -0.12 -0.29 0.01 0.00 -2.00 0.00 0.00 60.65 58.24 1wi6 h LYS 99 Cb 1.04 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 1wi6 h LYS 99 CO 0.60 0.95 -0.05 0.66 -2.00 0.00 0.00 179.45 179.61 1wi6 n TYR 100 N -4.39 -0.04 0.19 0.07 4.01 -1.26 0.09 117.16 115.83 1wi6 n TYR 100 Ca -0.09 0.12 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 1wi6 n TYR 100 Cb 0.53 -0.45 0.39 0.00 -0.31 0.00 0.00 39.34 39.51 1wi6 n TYR 100 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1wi6 h LYS 101 N 0.00 0.00 -0.01 -0.72 1.79 -2.01 -3.47 116.57 112.15 1wi6 h LYS 101 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1wi6 h LYS 101 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1wi6 h LYS 101 CO -0.09 0.35 0.00 0.41 -1.08 0.00 0.00 179.45 179.04 1wi6 n GLY 102 N -0.40 1.32 3.11 3.86 0.00 0.11 -4.91 105.19 108.29 1wi6 n GLY 102 Ca -0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1wi6 n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wi6 s THR 103 N -2.01 0.47 -0.03 2.61 -4.23 -0.18 -2.34 115.64 109.94 1wi6 s THR 103 Ca 0.00 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 58.88 1wi6 s THR 103 Cb 0.00 -1.34 -0.00 0.00 1.34 0.00 0.00 72.50 72.50 1wi6 s THR 103 CO 0.00 -0.80 -0.14 0.00 -0.54 0.00 0.00 174.62 173.14 1wi6 s ALA 104 N -3.17 1.26 -0.13 3.99 0.00 -1.19 -1.27 121.76 121.25 1wi6 s ALA 104 Ca 0.04 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1wi6 s ALA 104 Cb 0.02 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1wi6 s ALA 104 CO -0.05 0.25 -0.21 -0.06 0.00 0.00 0.00 175.76 175.69 1wi6 s PHE 105 N -0.04 2.55 0.01 0.00 0.08 -0.25 -2.63 117.98 117.70 1wi6 s PHE 105 Ca -0.01 -1.27 0.04 0.00 0.12 0.00 0.00 56.93 55.81 1wi6 s PHE 105 Cb -0.09 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 1wi6 s PHE 105 CO 0.01 -0.59 -0.12 0.08 -0.10 0.00 0.00 175.22 174.50 1wi6 s VAL 106 N 0.83 0.96 -0.23 -0.44 1.01 -1.24 -0.66 120.40 120.63 1wi6 s VAL 106 Ca -0.07 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1wi6 s VAL 106 Cb -0.15 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1wi6 s VAL 106 CO -0.02 0.17 0.02 -0.89 0.00 0.00 0.00 175.10 174.38 1wi6 s THR 107 N -0.47 3.91 0.60 3.92 2.01 0.26 -2.25 115.64 123.62 1wi6 s THR 107 Ca 0.03 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 61.76 1wi6 s THR 107 Cb -0.06 -2.81 0.08 0.00 0.01 0.00 0.00 72.50 69.73 1wi6 s THR 107 CO 0.00 0.38 0.83 -0.76 -0.69 0.00 0.00 174.62 174.38 1wi6 s LEU 108 N 1.49 3.17 0.00 4.42 1.43 -1.26 -2.79 118.68 125.14 1wi6 s LEU 108 Ca 0.06 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1wi6 s LEU 108 Cb -0.15 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1wi6 s LEU 108 CO 0.01 -1.41 0.79 -0.11 0.23 0.00 0.00 176.35 175.86 1wi6 n LEU 109 N -2.43 0.00 0.00 1.79 7.94 -1.24 -4.75 117.00 118.31 1wi6 n LEU 109 Ca 0.13 0.79 -0.27 0.00 -1.11 0.00 0.00 56.01 55.55 1wi6 n LEU 109 Cb 0.60 -0.29 -0.05 0.00 0.53 0.00 0.00 43.42 44.21 1wi6 n LEU 109 CO 0.42 -0.29 -0.15 -0.46 -1.11 0.00 0.00 177.39 175.79 1wi6 n ASN 110 N -1.44 3.08 0.16 1.96 2.04 -1.26 -4.89 115.26 114.91 1wi6 n ASN 110 Ca 0.00 -2.88 0.13 0.00 -0.44 0.00 0.00 54.58 51.39 1wi6 n ASN 110 Cb 0.00 0.24 0.48 0.00 -2.53 0.00 0.00 39.78 37.97 1wi6 n ASN 110 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1wi6 h GLY 111 N 0.96 0.00 0.82 4.83 0.00 -1.91 -3.19 103.07 104.58 1wi6 h GLY 111 Ca -0.35 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1wi6 h GLY 111 CO 0.58 0.00 0.02 0.83 0.00 0.00 0.00 176.54 177.97 1wi6 h GLU 112 N 0.00 0.10 -0.15 4.80 4.39 -1.95 -1.44 114.58 120.32 1wi6 h GLU 112 Ca 0.00 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 1wi6 h GLU 112 Cb 0.53 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1wi6 h GLU 112 CO 0.00 0.26 -0.39 1.96 -1.16 0.00 0.00 179.01 179.69 1wi6 h GLN 113 N -0.09 0.34 -0.29 2.33 4.20 -1.98 -2.72 115.11 116.90 1wi6 h GLN 113 Ca 0.02 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1wi6 h GLN 113 Cb 0.21 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1wi6 h GLN 113 CO -0.00 0.68 0.10 0.00 -0.67 0.00 0.00 178.83 178.93 1wi6 h ALA 114 N 1.31 0.38 -0.43 3.87 0.00 -1.51 -1.23 119.26 121.64 1wi6 h ALA 114 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1wi6 h ALA 114 Cb 0.81 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1wi6 h ALA 114 CO 0.06 0.01 0.22 1.49 0.00 0.00 0.00 179.25 181.03 1wi6 h GLU 115 N 0.31 0.62 -0.36 0.00 4.81 -1.19 0.08 114.58 118.85 1wi6 h GLU 115 Ca 0.09 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1wi6 h GLU 115 Cb 0.23 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1wi6 h GLU 115 CO -0.00 0.52 0.22 0.00 -0.73 0.00 0.00 179.01 179.02 1wi6 h ALA 116 N 1.07 0.45 -0.52 2.92 0.00 -1.38 0.32 119.26 122.12 1wi6 h ALA 116 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1wi6 h ALA 116 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1wi6 h ALA 116 CO -0.02 -0.06 0.14 0.00 0.00 0.00 0.00 179.25 179.31 1wi6 h ALA 117 N 1.10 0.68 -0.50 0.00 0.00 -1.04 -2.55 119.26 116.95 1wi6 h ALA 117 Ca 0.13 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1wi6 h ALA 117 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1wi6 h ALA 117 CO -0.03 0.36 -0.20 0.82 0.00 0.00 0.00 179.25 180.21 1wi6 h ILE 118 N 0.71 1.27 -0.42 0.00 2.04 -0.74 0.31 117.51 120.67 1wi6 h ILE 118 Ca 0.16 -1.37 0.05 0.00 1.00 0.00 0.00 64.86 64.70 1wi6 h ILE 118 Cb 0.31 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1wi6 h ILE 118 CO -0.00 0.48 0.17 -1.13 0.00 0.00 0.00 178.15 177.66 1wi6 h ASN 119 N 0.88 0.21 0.02 1.72 -0.73 -0.21 0.79 115.58 118.25 1wi6 h ASN 119 Ca 0.12 0.04 -0.04 0.00 1.87 0.00 0.00 56.30 58.29 1wi6 h ASN 119 Cb 0.78 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.39 1wi6 h ASN 119 CO 0.06 0.15 -0.16 0.74 -0.37 0.00 0.00 177.43 177.86 1wi6 h THR 120 N 0.35 1.69 0.00 -3.57 2.02 -1.40 -3.29 112.91 108.71 1wi6 h THR 120 Ca 0.19 -2.21 -0.00 0.00 0.77 0.00 0.00 66.41 65.15 1wi6 h THR 120 Cb 0.16 3.17 -0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1wi6 h THR 120 CO -0.18 0.59 -0.02 -0.26 0.37 0.00 0.00 175.52 176.02 1wi6 h PHE 121 N -0.79 0.00 -4.27 3.16 0.04 -0.32 -3.40 116.94 111.36 1wi6 h PHE 121 Ca -0.03 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.24 1wi6 h PHE 121 Cb 1.05 0.00 0.13 0.00 2.20 0.00 0.00 35.95 39.33 1wi6 h PHE 121 CO 0.24 0.02 0.32 -1.58 -0.60 0.00 0.00 178.31 176.70 1wi6 s HIS 122 N -4.90 2.64 -0.61 -0.55 5.65 0.27 -3.18 115.29 114.61 1wi6 s HIS 122 Ca -0.05 1.45 0.00 0.00 0.25 0.00 0.00 55.06 56.71 1wi6 s HIS 122 Cb 0.16 -3.04 0.00 0.00 -1.18 0.00 0.00 32.58 28.52 1wi6 s HIS 122 CO 0.64 -1.81 0.00 0.00 -0.65 0.00 0.00 174.74 172.92 1wi6 n GLN 123 N -3.52 -2.02 -2.99 2.88 10.64 -1.26 -4.90 117.38 116.21 1wi6 n GLN 123 Ca 0.08 0.34 -0.18 0.00 -1.83 0.00 0.00 57.00 55.41 1wi6 n GLN 123 Cb 0.54 -4.72 0.01 0.00 -0.86 0.00 0.00 30.24 25.21 1wi6 n GLN 123 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1wi6 s SER 124 N -1.83 5.63 0.04 2.61 1.04 -1.19 -5.00 113.70 115.00 1wi6 s SER 124 Ca 0.00 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1wi6 s SER 124 Cb 0.00 -0.80 -0.03 0.00 0.10 0.00 0.00 66.02 65.30 1wi6 s SER 124 CO 0.00 -0.79 -0.05 -0.13 0.98 0.00 0.00 173.24 173.24 1wi6 s ARG 125 N -4.41 0.49 -0.04 4.02 0.52 -1.26 -1.88 118.95 116.39 1wi6 s ARG 125 Ca 0.54 -0.81 -0.05 0.00 -0.52 0.00 0.00 55.73 54.89 1wi6 s ARG 125 Cb -0.10 -0.09 0.01 0.00 0.52 0.00 0.00 34.95 35.29 1wi6 s ARG 125 CO 0.34 -0.01 0.13 -1.17 0.02 0.00 0.00 175.30 174.60 1wi6 s LEU 126 N -1.83 1.55 -1.56 2.53 2.96 -0.23 -4.87 118.68 117.22 1wi6 s LEU 126 Ca -0.08 0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 53.76 1wi6 s LEU 126 Cb -0.07 0.48 0.20 0.00 0.50 0.00 0.00 46.19 47.30 1wi6 s LEU 126 CO -0.02 -0.13 0.50 0.54 -1.32 0.00 0.00 176.35 175.92 1wi6 n ARG 127 N 2.61 -0.99 -3.03 1.98 5.12 -1.26 0.11 116.66 121.21 1wi6 n ARG 127 Ca -0.15 0.12 -0.12 0.00 -1.93 0.00 0.00 57.85 55.76 1wi6 n ARG 127 Cb 0.58 -4.41 0.06 0.00 -1.16 0.00 0.00 32.46 27.53 1wi6 n ARG 127 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1wi6 n GLU 128 N -3.67 -4.76 -3.83 5.56 1.02 -1.26 -5.04 120.64 108.67 1wi6 n GLU 128 Ca 0.10 0.60 -0.12 0.00 -0.02 0.00 0.00 57.16 57.72 1wi6 n GLU 128 Cb 0.43 -4.88 -0.10 0.00 -0.02 0.00 0.00 31.44 26.87 1wi6 n GLU 128 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1wi6 s ARG 129 N -5.04 0.42 -0.11 3.49 1.04 0.31 -5.14 118.95 113.93 1wi6 s ARG 129 Ca 0.04 -0.10 -0.30 0.00 -1.04 0.00 0.00 55.73 54.33 1wi6 s ARG 129 Cb -0.02 0.18 -0.01 0.00 -2.04 0.00 0.00 34.95 33.07 1wi6 s ARG 129 CO 0.51 -0.09 1.02 -1.83 -0.04 0.00 0.00 175.30 174.87 1wi6 s GLU 130 N -0.80 4.42 -0.16 3.89 -1.05 -1.26 -1.07 118.70 122.66 1wi6 s GLU 130 Ca -0.09 1.40 -0.06 0.00 -0.15 0.00 0.00 54.97 56.07 1wi6 s GLU 130 Cb -0.05 -3.54 -0.04 0.00 -0.44 0.00 0.00 34.13 30.06 1wi6 s GLU 130 CO 0.01 -0.33 0.06 -0.51 0.95 0.00 0.00 175.26 175.45 1wi6 s LEU 131 N 2.04 3.85 -0.22 1.83 1.43 -0.79 -4.87 118.68 121.96 1wi6 s LEU 131 Ca 0.49 0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 53.68 1wi6 s LEU 131 Cb -0.18 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1wi6 s LEU 131 CO 0.18 0.24 -0.01 -0.44 0.23 0.00 0.00 176.35 176.55 1wi6 s SER 132 N -0.04 4.56 -0.03 2.29 0.01 -1.08 -4.18 113.70 115.23 1wi6 s SER 132 Ca 0.06 -0.32 0.05 0.00 1.31 0.00 0.00 55.95 57.05 1wi6 s SER 132 Cb -0.12 -1.79 -0.01 0.00 0.21 0.00 0.00 66.02 64.31 1wi6 s SER 132 CO 0.01 -0.00 -0.16 -0.69 0.41 0.00 0.00 173.24 172.80 1wi6 s VAL 133 N 1.40 1.32 0.16 3.43 1.01 -1.26 -0.13 120.40 126.34 1wi6 s VAL 133 Ca 0.05 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 1wi6 s VAL 133 Cb -0.14 -1.12 0.04 0.00 0.00 0.00 0.00 36.38 35.15 1wi6 s VAL 133 CO -0.01 0.38 0.49 0.00 0.00 0.00 0.00 175.10 175.96 1wi6 s GLN 134 N -0.14 1.25 0.37 2.72 -2.07 -0.47 -4.82 119.66 116.51 1wi6 s GLN 134 Ca 0.01 -0.74 -0.28 0.00 -1.82 0.00 0.00 55.36 52.53 1wi6 s GLN 134 Cb -0.09 0.51 -0.11 0.00 -1.09 0.00 0.00 33.01 32.24 1wi6 s GLN 134 CO 0.01 -0.52 1.47 -0.51 -1.32 0.00 0.00 175.29 174.42 1wi6 s LEU 135 N -2.83 4.32 0.34 2.60 1.43 -1.26 -0.62 118.68 122.67 1wi6 s LEU 135 Ca 0.05 3.02 -0.28 0.00 -1.03 0.00 0.00 54.13 55.89 1wi6 s LEU 135 Cb 0.00 -3.67 -0.12 0.00 0.03 0.00 0.00 46.19 42.43 1wi6 s LEU 135 CO -0.08 -0.85 1.35 1.67 0.23 0.00 0.00 176.35 178.67 1wi6 n GLN 136 N 0.47 2.26 -2.09 1.70 7.27 -0.99 -4.72 117.38 121.27 1wi6 n GLN 136 Ca 0.01 0.79 -0.43 0.00 0.07 0.00 0.00 57.00 57.44 1wi6 n GLN 136 Cb 0.39 -2.42 -0.03 0.00 2.41 0.00 0.00 30.24 30.60 1wi6 n GLN 136 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1wi6 s PRO 137 N -1.74 3.47 0.16 3.69 0.04 -1.26 -4.90 135.00 134.45 1wi6 s PRO 137 Ca 0.56 1.36 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 1wi6 s PRO 137 Cb -0.55 -4.13 0.08 0.00 0.04 0.00 0.00 34.50 29.93 1wi6 s PRO 137 CO 0.61 -1.69 1.72 1.15 0.04 0.00 0.00 177.00 178.83 1wi6 h THR 138 N 6.63 0.80 -1.02 1.26 2.02 -1.98 -3.00 112.91 117.62 1wi6 h THR 138 Ca -0.32 -0.06 -0.57 0.00 0.77 0.00 0.00 66.41 66.23 1wi6 h THR 138 Cb 1.15 0.62 -0.42 0.00 -1.74 0.00 0.00 68.15 67.76 1wi6 h THR 138 CO 1.04 0.03 -0.75 0.47 0.37 0.00 0.00 175.52 176.68 1wi6 n ASP 139 N -5.12 4.92 -0.27 4.18 8.00 -1.26 -4.89 116.55 122.10 1wi6 n ASP 139 Ca 0.01 -3.74 -0.01 0.00 0.71 0.00 0.00 54.79 51.76 1wi6 n ASP 139 Cb 0.17 -0.39 0.02 0.00 -0.02 0.00 0.00 41.12 40.89 1wi6 n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wi6 n ALA 140 N -0.63 -0.13 -1.47 2.24 0.00 -1.13 -4.45 120.51 114.93 1wi6 n ALA 140 Ca 0.43 0.69 -0.49 0.00 0.00 0.00 0.00 53.44 54.07 1wi6 n ALA 140 Cb 0.86 -0.29 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 1wi6 n ALA 140 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1wi6 n LEU 141 N -5.02 -0.15 -4.72 0.00 0.00 -1.26 -4.83 117.00 101.02 1wi6 n LEU 141 Ca 0.07 1.14 -0.42 0.00 0.00 0.00 0.00 56.01 56.80 1wi6 n LEU 141 Cb 0.27 -1.04 -0.03 0.00 0.00 0.00 0.00 43.42 42.62 1wi6 n LEU 141 CO -0.10 -2.32 1.15 -0.76 0.00 0.00 0.00 177.39 175.36 1wi6 s LEU 142 N 1.80 4.37 -1.39 -1.96 1.02 -1.26 -3.22 118.68 118.04 1wi6 s LEU 142 Ca 0.68 2.47 -0.07 0.00 0.02 0.00 0.00 54.13 57.23 1wi6 s LEU 142 Cb -0.93 -3.59 0.01 0.00 0.02 0.00 0.00 46.19 41.70 1wi6 s LEU 142 CO 0.56 -0.74 0.14 0.00 0.02 0.00 0.00 176.35 176.33 1wi6 n SER 144 N -2.53 2.00 0.00 0.00 2.88 -1.20 -4.50 113.62 110.27 1wi6 n SER 144 Ca -0.27 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1wi6 n SER 144 Cb 0.63 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 1wi6 n SER 144 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi6 n GLY 145 N 2.70 0.31 3.59 0.46 0.00 -1.26 -4.43 105.19 106.57 1wi6 n GLY 145 Ca 0.18 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1wi6 n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi6 s PRO 146 N -1.74 3.32 -1.42 1.61 0.04 -1.26 -3.73 135.00 131.81 1wi6 s PRO 146 Ca 0.00 1.23 -0.13 0.00 0.04 0.00 0.00 61.00 62.14 1wi6 s PRO 146 Cb 0.00 -4.18 0.13 0.00 0.04 0.00 0.00 34.50 30.49 1wi6 s PRO 146 CO 0.00 -1.88 0.33 0.45 0.04 0.00 0.00 177.00 175.94 1wi6 n SER 147 N 10.20 -0.76 -4.81 6.66 2.88 -1.26 -4.86 113.62 121.67 1wi6 n SER 147 Ca 0.21 -1.00 -0.38 0.00 -1.33 0.00 0.00 58.87 56.36 1wi6 n SER 147 Cb 0.48 -1.27 -0.06 0.00 -0.75 0.00 0.00 64.21 62.60 1wi6 n SER 147 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wi6 s SER 148 N -3.20 7.06 0.00 -3.46 0.01 -1.24 -5.15 113.70 107.70 1wi6 s SER 148 Ca 0.46 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.98 1wi6 s SER 148 Cb -0.27 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1wi6 s SER 148 CO 0.81 0.26 0.00 0.61 0.41 0.00 0.00 173.24 175.34