#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 6.74 0.65 1.61 0.15 -1.26 -5.01 113.70 116.59 1wi6 s SER 63 Ca 0.00 -2.21 -0.15 0.00 0.70 0.00 0.00 55.95 54.29 1wi6 s SER 63 Cb 0.00 -2.46 -0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1wi6 s SER 63 CO 0.00 -1.09 1.11 -0.55 1.20 0.00 0.00 173.24 173.91 1wi6 s SER 64 N 3.80 5.14 0.52 5.45 0.15 -1.26 -4.81 113.70 122.69 1wi6 s SER 64 Ca 0.41 2.02 0.00 0.00 0.70 0.00 0.00 55.95 59.08 1wi6 s SER 64 Cb -0.02 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1wi6 s SER 64 CO -0.05 -1.61 0.00 0.61 1.20 0.00 0.00 173.24 173.39 1wi6 n GLY 65 N -0.46 -4.25 2.98 9.45 0.00 -1.26 -5.03 105.19 106.63 1wi6 n GLY 65 Ca 0.10 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 1wi6 n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi6 s SER 66 N -4.28 -0.17 0.15 1.61 0.01 -1.26 -5.02 113.70 104.74 1wi6 s SER 66 Ca 0.00 0.39 -0.22 0.00 1.31 0.00 0.00 55.95 57.43 1wi6 s SER 66 Cb 0.00 0.28 0.03 0.00 0.21 0.00 0.00 66.02 66.55 1wi6 s SER 66 CO 0.00 -0.15 1.28 -1.20 0.41 0.00 0.00 173.24 173.58 1wi6 n SER 67 N 4.11 -0.76 -3.65 2.44 7.64 -1.26 -4.10 113.62 118.05 1wi6 n SER 67 Ca -0.25 1.46 -0.42 0.00 1.01 0.00 0.00 58.87 60.67 1wi6 n SER 67 Cb 0.53 -0.24 -0.04 0.00 -1.01 0.00 0.00 64.21 63.45 1wi6 n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi6 n GLY 68 N -1.27 -1.08 3.47 0.23 0.00 -1.26 -4.47 105.19 100.81 1wi6 n GLY 68 Ca 0.04 0.38 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.58 2.29 -0.04 -0.61 -5.25 -0.72 -0.69 121.20 115.61 1wi6 s ILE 69 Ca 0.59 -2.33 0.03 0.00 -0.99 0.00 0.00 60.65 57.95 1wi6 s ILE 69 Cb -0.85 -2.35 0.01 0.00 2.95 0.00 0.00 42.46 42.22 1wi6 s ILE 69 CO 0.46 -0.38 -0.11 -0.22 -1.79 0.00 0.00 174.94 172.91 1wi6 s LEU 70 N -3.50 1.74 -0.00 0.37 2.96 -0.19 -3.74 118.68 116.31 1wi6 s LEU 70 Ca 0.30 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.01 1wi6 s LEU 70 Cb -0.02 -0.68 -0.01 0.00 0.50 0.00 0.00 46.19 45.97 1wi6 s LEU 70 CO 0.14 0.06 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.46 1wi6 s ILE 71 N 0.33 1.14 -0.04 6.68 1.01 -1.10 -2.08 121.20 127.14 1wi6 s ILE 71 Ca -0.06 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1wi6 s ILE 71 Cb -0.11 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.40 1wi6 s ILE 71 CO 0.01 0.27 -0.10 -0.13 0.00 0.00 0.00 174.94 175.00 1wi6 s ARG 72 N -0.47 1.24 0.00 2.79 0.52 -0.72 -3.05 118.95 119.26 1wi6 s ARG 72 Ca 0.05 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.92 1wi6 s ARG 72 Cb -0.06 -1.11 0.00 0.00 0.52 0.00 0.00 34.95 34.31 1wi6 s ARG 72 CO -0.00 0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.81 1wi6 n GLY 73 N 3.51 0.45 3.92 -3.53 0.00 -1.03 -2.42 105.19 106.08 1wi6 n GLY 73 Ca -0.20 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.61 4.28 0.97 0.99 1.43 -1.10 -4.82 118.68 119.82 1wi6 s LEU 74 Ca 0.00 0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.37 1wi6 s LEU 74 Cb 0.00 -3.13 0.17 0.00 0.03 0.00 0.00 46.19 43.26 1wi6 s LEU 74 CO 0.00 0.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.55 1wi6 s PRO 75 N -2.99 0.66 0.00 1.29 0.04 -1.26 -4.92 135.00 127.82 1wi6 s PRO 75 Ca 0.38 0.60 0.22 0.00 0.04 0.00 0.00 61.00 62.24 1wi6 s PRO 75 Cb -0.12 -1.76 1.11 0.00 0.04 0.00 0.00 34.50 33.77 1wi6 s PRO 75 CO 0.28 -2.60 1.72 0.41 0.04 0.00 0.00 177.00 176.85 1wi6 n GLY 76 N -1.09 -1.03 0.42 0.56 0.00 -1.26 -2.74 105.19 100.04 1wi6 n GLY 76 Ca 0.06 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.05 1wi6 n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wi6 n ASP 77 N -1.30 1.86 -4.63 1.61 5.75 -1.26 -5.03 116.55 113.54 1wi6 n ASP 77 Ca 0.10 -3.35 -0.43 0.00 -0.01 0.00 0.00 54.79 51.10 1wi6 n ASP 77 Cb 0.18 -0.46 -0.02 0.00 -1.03 0.00 0.00 41.12 39.79 1wi6 n ASP 77 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1wi6 s VAL 78 N -2.74 3.85 0.29 2.12 0.11 -1.11 -5.00 120.40 117.94 1wi6 s VAL 78 Ca 0.33 0.98 0.11 0.00 -2.93 0.00 0.00 61.98 60.47 1wi6 s VAL 78 Cb 0.31 -3.83 -0.05 0.00 -1.53 0.00 0.00 36.38 31.28 1wi6 s VAL 78 CO -0.03 -0.31 -0.18 0.28 -3.33 0.00 0.00 175.10 171.54 1wi6 s THR 79 N 4.74 2.43 0.48 5.04 -1.32 -1.26 -4.94 115.64 120.81 1wi6 s THR 79 Ca 0.66 -2.36 0.21 0.00 -1.21 0.00 0.00 61.69 58.99 1wi6 s THR 79 Cb -0.23 -2.38 0.38 0.00 -1.51 0.00 0.00 72.50 68.76 1wi6 s THR 79 CO 0.26 -0.36 1.95 -0.55 -2.21 0.00 0.00 174.62 173.72 1wi6 h ASN 80 N 2.21 0.18 -0.08 8.08 7.08 -1.95 0.13 115.58 131.23 1wi6 h ASN 80 Ca -0.40 0.01 -0.07 0.00 -3.08 0.00 0.00 56.30 52.75 1wi6 h ASN 80 Cb 1.26 -0.03 -0.01 0.00 -2.08 0.00 0.00 38.32 37.46 1wi6 h ASN 80 CO 0.62 0.09 -0.16 -0.61 -2.08 0.00 0.00 177.43 175.30 1wi6 h GLN 81 N 0.19 0.44 -0.30 4.14 5.75 -1.98 -1.01 115.11 122.33 1wi6 h GLN 81 Ca 0.32 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 1wi6 h GLN 81 Cb 0.99 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 1wi6 h GLN 81 CO -0.06 0.59 0.09 1.49 -2.65 0.00 0.00 178.83 178.29 1wi6 h GLU 82 N 0.40 0.48 -0.25 1.69 4.57 -1.13 -0.56 114.58 119.77 1wi6 h GLU 82 Ca 0.07 -0.11 -0.10 0.00 -1.18 0.00 0.00 59.36 58.05 1wi6 h GLU 82 Cb 0.52 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1wi6 h GLU 82 CO 0.03 0.54 -0.22 -0.39 -1.18 0.00 0.00 179.01 177.80 1wi6 h VAL 83 N 0.33 1.31 -0.23 0.32 -1.51 -1.40 -1.58 116.25 113.50 1wi6 h VAL 83 Ca 0.10 -1.36 0.01 0.00 -1.23 0.00 0.00 66.70 64.21 1wi6 h VAL 83 Cb 0.27 1.63 -0.02 0.00 -2.13 0.00 0.00 31.29 31.04 1wi6 h VAL 83 CO -0.00 0.43 0.13 0.45 -1.23 0.00 0.00 177.57 177.34 1wi6 h HIS 84 N 0.31 0.24 -0.53 5.19 3.86 -1.14 -1.03 115.15 122.06 1wi6 h HIS 84 Ca 0.05 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 1wi6 h HIS 84 Cb 0.76 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 1wi6 h HIS 84 CO 0.07 0.14 0.05 0.22 0.86 0.00 0.00 177.93 179.27 1wi6 h ASP 85 N 0.27 0.82 -0.75 2.45 3.58 -1.11 0.36 116.42 122.03 1wi6 h ASP 85 Ca 0.09 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.31 1wi6 h ASP 85 Cb -0.00 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.80 1wi6 h ASP 85 CO -0.04 0.86 0.32 0.25 -2.88 0.00 0.00 179.24 177.75 1wi6 h LEU 86 N 0.81 1.02 -3.57 2.28 5.85 -0.85 -2.95 115.31 117.90 1wi6 h LEU 86 Ca 0.16 -0.16 -0.37 0.00 0.84 0.00 0.00 57.88 58.36 1wi6 h LEU 86 Cb 0.42 -0.26 -0.23 0.00 0.37 0.00 0.00 40.66 40.95 1wi6 h LEU 86 CO 0.01 0.90 -0.17 0.18 -0.34 0.00 0.00 178.44 179.03 1wi6 n LEU 87 N -4.34 4.91 -0.02 2.25 4.77 -0.43 -4.69 117.00 119.44 1wi6 n LEU 87 Ca 0.06 -4.16 -0.15 0.00 -0.03 0.00 0.00 56.01 51.73 1wi6 n LEU 87 Cb 0.17 -0.60 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 1wi6 n LEU 87 CO 0.40 1.56 0.39 0.77 -1.33 0.00 0.00 177.39 179.18 1wi6 h SER 88 N 1.51 0.33 -0.94 -1.43 4.64 -0.11 -3.26 113.55 114.29 1wi6 h SER 88 Ca 0.32 -0.72 0.38 0.00 -0.47 0.00 0.00 61.79 61.30 1wi6 h SER 88 Cb 1.48 -0.10 -0.17 0.00 -0.31 0.00 0.00 62.40 63.30 1wi6 h SER 88 CO 0.68 1.00 0.44 0.47 -0.87 0.00 0.00 176.83 178.56 1wi6 n ASP 89 N -4.44 0.27 -4.63 4.97 8.00 -1.26 -4.40 116.55 115.06 1wi6 n ASP 89 Ca -0.09 1.57 -0.24 0.00 0.71 0.00 0.00 54.79 56.74 1wi6 n ASP 89 Cb 0.52 -0.74 0.11 0.00 -0.02 0.00 0.00 41.12 41.00 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 -5.50 1.62 -0.51 1.24 1.51 -1.23 -5.03 117.35 109.45 1wi6 s TYR 90 Ca -0.09 -0.20 -0.23 0.00 -1.01 0.00 0.00 57.07 55.54 1wi6 s TYR 90 Cb 0.31 -3.10 0.04 0.00 -0.11 0.00 0.00 41.96 39.10 1wi6 s TYR 90 CO 0.74 -1.79 0.83 -1.21 -1.11 0.00 0.00 175.55 173.01 1wi6 s GLU 91 N -5.21 3.31 -0.82 -0.62 0.41 -1.26 -4.99 118.70 109.51 1wi6 s GLU 91 Ca 0.67 -0.34 -0.24 0.00 -0.41 0.00 0.00 54.97 54.65 1wi6 s GLU 91 Cb -0.05 -4.03 0.06 0.00 -1.78 0.00 0.00 34.13 28.33 1wi6 s GLU 91 CO 0.45 -1.32 1.22 -0.51 -0.49 0.00 0.00 175.26 174.61 1wi6 s LEU 92 N 3.48 3.85 0.27 1.80 1.43 -1.26 -3.53 118.68 124.72 1wi6 s LEU 92 Ca 0.27 -1.09 0.11 0.00 -1.03 0.00 0.00 54.13 52.39 1wi6 s LEU 92 Cb -0.14 -2.50 0.33 0.00 0.03 0.00 0.00 46.19 43.91 1wi6 s LEU 92 CO 0.19 -1.53 1.59 0.11 0.23 0.00 0.00 176.35 176.93 1wi6 h LYS 93 N 9.67 0.00 -1.90 1.70 1.79 -1.82 -3.45 116.57 122.56 1wi6 h LYS 93 Ca -0.09 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.41 1wi6 h LYS 93 Cb 1.04 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.47 1wi6 h LYS 93 CO 1.27 0.63 0.12 -0.47 -1.08 0.00 0.00 179.45 179.91 1wi6 s TYR 94 N -3.49 -0.92 -0.08 -1.35 5.04 -1.11 -5.01 117.35 110.43 1wi6 s TYR 94 Ca -0.01 1.89 0.03 0.00 -2.44 0.00 0.00 57.07 56.54 1wi6 s TYR 94 Cb 0.12 0.53 0.01 0.00 0.35 0.00 0.00 41.96 42.96 1wi6 s TYR 94 CO 0.76 -0.45 -0.16 0.00 -1.34 0.00 0.00 175.55 174.36 1wi6 s PHE 96 N 0.56 1.12 -0.20 0.00 5.36 0.13 -5.00 117.98 119.95 1wi6 s PHE 96 Ca -0.16 -0.47 0.01 0.00 -0.96 0.00 0.00 56.93 55.35 1wi6 s PHE 96 Cb -0.16 -1.02 0.02 0.00 -0.34 0.00 0.00 43.02 41.52 1wi6 s PHE 96 CO 0.05 -0.41 -0.17 0.08 -1.46 0.00 0.00 175.22 173.31 1wi6 s VAL 97 N 1.71 2.18 -0.46 3.12 1.01 -1.26 0.28 120.40 126.98 1wi6 s VAL 97 Ca 0.03 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1wi6 s VAL 97 Cb -0.13 -1.98 0.12 0.00 0.00 0.00 0.00 36.38 34.39 1wi6 s VAL 97 CO -0.06 0.44 0.22 -0.62 0.00 0.00 0.00 175.10 175.08 1wi6 s ASP 98 N 1.27 4.88 0.13 3.32 -1.08 -0.65 -4.95 116.67 119.60 1wi6 s ASP 98 Ca 0.03 -2.48 -0.13 0.00 -0.52 0.00 0.00 52.55 49.44 1wi6 s ASP 98 Cb -0.14 -1.73 -0.01 0.00 -1.46 0.00 0.00 42.92 39.57 1wi6 s ASP 98 CO -0.11 -0.38 1.56 0.07 0.52 0.00 0.00 175.17 176.83 1wi6 h LYS 99 N 7.33 0.79 -0.33 4.34 2.10 -1.93 -1.76 116.57 127.12 1wi6 h LYS 99 Ca -0.07 -0.28 0.03 0.00 -2.00 0.00 0.00 60.65 58.33 1wi6 h LYS 99 Cb 0.98 -0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 32.21 1wi6 h LYS 99 CO 0.65 0.89 -0.19 0.66 -2.00 0.00 0.00 179.45 179.45 1wi6 n TYR 100 N -4.35 -0.14 0.10 0.07 4.01 -1.26 0.21 117.16 115.80 1wi6 n TYR 100 Ca -0.00 0.41 -0.03 0.00 -0.16 0.00 0.00 57.90 58.11 1wi6 n TYR 100 Cb 0.33 -0.46 0.15 0.00 -0.31 0.00 0.00 39.34 39.05 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 0.16 0.00 -0.72 1.79 -2.01 -3.47 116.57 112.32 1wi6 h LYS 101 Ca 0.05 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1wi6 h LYS 101 Cb 0.13 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1wi6 h LYS 101 CO -0.31 0.70 0.00 0.41 -1.08 0.00 0.00 179.45 179.17 1wi6 n GLY 102 N 0.21 1.72 3.26 3.86 0.00 0.13 -4.95 105.19 109.42 1wi6 n GLY 102 Ca -0.02 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 0.82 -0.02 2.61 -4.23 -0.73 -2.48 115.64 109.61 1wi6 s THR 103 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1wi6 s THR 103 Cb 0.00 -2.14 0.01 0.00 1.34 0.00 0.00 72.50 71.70 1wi6 s THR 103 CO 0.00 -0.47 -0.06 0.00 -0.54 0.00 0.00 174.62 173.55 1wi6 s ALA 104 N -3.56 0.63 -0.13 3.99 0.00 -1.17 -1.64 121.76 119.88 1wi6 s ALA 104 Ca 0.24 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.00 1wi6 s ALA 104 Cb 0.06 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1wi6 s ALA 104 CO 0.05 0.09 -0.16 -0.06 0.00 0.00 0.00 175.76 175.68 1wi6 s PHE 105 N 0.24 2.12 0.05 0.00 0.08 0.14 -2.72 117.98 117.91 1wi6 s PHE 105 Ca -0.03 -1.08 0.05 0.00 0.12 0.00 0.00 56.93 55.99 1wi6 s PHE 105 Cb -0.07 -1.53 -0.02 0.00 -0.57 0.00 0.00 43.02 40.82 1wi6 s PHE 105 CO -0.00 -0.56 -0.14 0.08 -0.10 0.00 0.00 175.22 174.49 1wi6 s VAL 106 N 1.15 1.14 -0.24 -0.44 1.01 -1.25 0.17 120.40 121.96 1wi6 s VAL 106 Ca -0.02 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.81 1wi6 s VAL 106 Cb -0.14 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1wi6 s VAL 106 CO -0.05 -0.08 -0.08 -0.89 0.00 0.00 0.00 175.10 174.01 1wi6 s THR 107 N -1.02 2.82 0.76 3.92 2.01 0.60 -1.75 115.64 122.99 1wi6 s THR 107 Ca 0.01 -0.97 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 1wi6 s THR 107 Cb -0.09 -2.40 0.16 0.00 0.01 0.00 0.00 72.50 70.19 1wi6 s THR 107 CO 0.02 0.26 1.04 0.18 -0.69 0.00 0.00 174.62 175.42 1wi6 n LEU 108 N 4.67 0.00 0.02 4.42 4.77 -1.26 -2.77 117.00 126.85 1wi6 n LEU 108 Ca -0.17 -1.72 -0.01 0.00 -0.03 0.00 0.00 56.01 54.09 1wi6 n LEU 108 Cb 0.48 -0.73 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1wi6 n LEU 108 CO 0.27 -1.11 0.30 0.25 -1.33 0.00 0.00 177.39 175.76 1wi6 h LEU 109 N 0.00 -0.04 0.00 2.23 5.85 -1.96 -3.45 115.31 117.94 1wi6 h LEU 109 Ca -0.34 0.00 -0.46 0.00 0.84 0.00 0.00 57.88 57.93 1wi6 h LEU 109 Cb 1.11 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 1wi6 h LEU 109 CO 0.31 -0.02 -0.29 0.59 -0.34 0.00 0.00 178.44 178.69 1wi6 n ASN 110 N -2.19 2.75 0.20 1.25 3.02 -1.26 -4.95 115.26 114.08 1wi6 n ASN 110 Ca -0.01 -2.52 0.13 0.00 -0.03 0.00 0.00 54.58 52.15 1wi6 n ASN 110 Cb 0.02 0.16 0.28 0.00 -0.61 0.00 0.00 39.78 39.63 1wi6 n ASN 110 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1wi6 h GLY 111 N 0.74 0.00 0.95 7.41 0.00 -1.93 -3.26 103.07 106.98 1wi6 h GLY 111 Ca -0.29 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1wi6 h GLY 111 CO 0.47 0.00 0.08 1.05 0.00 0.00 0.00 176.54 178.13 1wi6 h GLU 112 N 0.00 0.70 -0.13 4.80 4.11 -1.99 -1.46 114.58 120.61 1wi6 h GLU 112 Ca 0.00 -0.18 -0.12 0.00 0.07 0.00 0.00 59.36 59.13 1wi6 h GLU 112 Cb 0.88 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1wi6 h GLU 112 CO 0.00 0.73 -0.43 1.96 0.07 0.00 0.00 179.01 181.34 1wi6 h GLN 113 N 0.56 0.31 -0.27 1.06 4.20 -1.98 -2.71 115.11 116.28 1wi6 h GLN 113 Ca 0.13 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1wi6 h GLN 113 Cb 0.36 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1wi6 h GLN 113 CO 0.01 0.69 -0.07 0.00 -0.67 0.00 0.00 178.83 178.78 1wi6 h ALA 114 N 1.30 0.37 -0.37 3.87 0.00 -1.55 -1.80 119.26 121.08 1wi6 h ALA 114 Ca 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1wi6 h ALA 114 Cb 0.86 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1wi6 h ALA 114 CO 0.07 0.19 0.23 1.49 0.00 0.00 0.00 179.25 181.22 1wi6 h GLU 115 N 0.27 0.50 -0.49 0.00 4.81 -1.21 0.21 114.58 118.67 1wi6 h GLU 115 Ca 0.07 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1wi6 h GLU 115 Cb 0.55 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1wi6 h GLU 115 CO 0.03 0.38 0.27 0.00 -0.73 0.00 0.00 179.01 178.96 1wi6 h ALA 116 N 1.10 0.63 -0.38 2.92 0.00 -1.46 0.27 119.26 122.34 1wi6 h ALA 116 Ca 0.13 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1wi6 h ALA 116 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1wi6 h ALA 116 CO -0.03 0.15 -0.05 0.00 0.00 0.00 0.00 179.25 179.32 1wi6 h ALA 117 N 1.11 0.51 -0.56 0.00 0.00 -1.08 -2.72 119.26 116.53 1wi6 h ALA 117 Ca 0.17 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1wi6 h ALA 117 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1wi6 h ALA 117 CO -0.03 0.34 -0.09 0.82 0.00 0.00 0.00 179.25 180.29 1wi6 h ILE 118 N 0.51 1.27 -0.51 0.00 2.04 -0.40 0.30 117.51 120.72 1wi6 h ILE 118 Ca 0.10 -1.25 0.05 0.00 1.00 0.00 0.00 64.86 64.75 1wi6 h ILE 118 Cb 0.55 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1wi6 h ILE 118 CO 0.03 0.45 0.25 -1.13 0.00 0.00 0.00 178.15 177.75 1wi6 h ASN 119 N 0.93 0.36 0.02 1.72 -0.73 -0.40 0.68 115.58 118.15 1wi6 h ASN 119 Ca 0.15 0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.32 1wi6 h ASN 119 Cb 0.66 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.22 1wi6 h ASN 119 CO 0.05 0.25 -0.12 0.74 -0.37 0.00 0.00 177.43 177.98 1wi6 h THR 120 N 0.49 1.70 -0.22 -3.57 2.02 -1.39 -3.30 112.91 108.65 1wi6 h THR 120 Ca 0.22 -2.22 0.01 0.00 0.77 0.00 0.00 66.41 65.20 1wi6 h THR 120 Cb 0.14 3.20 -0.01 0.00 -1.74 0.00 0.00 68.15 69.74 1wi6 h THR 120 CO -0.16 0.59 0.15 -0.26 0.37 0.00 0.00 175.52 176.20 1wi6 h PHE 121 N -0.83 0.23 -4.23 3.16 0.04 -0.33 -3.41 116.94 111.57 1wi6 h PHE 121 Ca -0.02 0.01 -0.52 0.00 2.80 0.00 0.00 57.97 60.24 1wi6 h PHE 121 Cb 1.03 -0.08 0.14 0.00 2.20 0.00 0.00 35.95 39.24 1wi6 h PHE 121 CO 0.24 0.14 0.34 -1.58 -0.60 0.00 0.00 178.31 176.85 1wi6 s HIS 122 N -5.25 2.27 -1.07 -0.55 5.65 0.24 -2.96 115.29 113.61 1wi6 s HIS 122 Ca -0.06 1.61 -0.07 0.00 0.25 0.00 0.00 55.06 56.79 1wi6 s HIS 122 Cb 0.17 -3.26 0.06 0.00 -1.18 0.00 0.00 32.58 28.37 1wi6 s HIS 122 CO 0.70 -2.18 0.31 0.00 -0.65 0.00 0.00 174.74 172.93 1wi6 n GLN 123 N -3.06 -2.88 -3.29 2.88 10.64 -1.26 -4.93 117.38 115.48 1wi6 n GLN 123 Ca 0.11 0.40 -0.19 0.00 -1.83 0.00 0.00 57.00 55.49 1wi6 n GLN 123 Cb 0.52 -5.04 -0.00 0.00 -0.86 0.00 0.00 30.24 24.85 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 -2.49 5.30 0.02 2.61 1.04 -1.16 -5.01 113.70 114.00 1wi6 s SER 124 Ca 0.28 -0.64 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 1wi6 s SER 124 Cb -0.15 -0.48 -0.02 0.00 0.10 0.00 0.00 66.02 65.47 1wi6 s SER 124 CO 0.34 -0.79 -0.02 -0.13 0.98 0.00 0.00 173.24 173.63 1wi6 s ARG 125 N -4.28 0.35 -0.10 4.02 0.52 -1.26 -1.93 118.95 116.26 1wi6 s ARG 125 Ca 0.52 -0.64 -0.04 0.00 -0.52 0.00 0.00 55.73 55.05 1wi6 s ARG 125 Cb -0.06 0.13 0.05 0.00 0.52 0.00 0.00 34.95 35.58 1wi6 s ARG 125 CO 0.31 -0.06 0.21 -1.17 0.02 0.00 0.00 175.30 174.61 1wi6 s LEU 126 N -1.57 0.22 -1.45 2.53 2.96 -0.63 -4.89 118.68 115.85 1wi6 s LEU 126 Ca -0.14 0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 54.14 1wi6 s LEU 126 Cb -0.08 0.55 0.05 0.00 0.50 0.00 0.00 46.19 47.21 1wi6 s LEU 126 CO -0.01 -0.20 0.82 0.54 -1.32 0.00 0.00 176.35 176.18 1wi6 n ARG 127 N 4.71 -4.96 -3.35 1.98 1.74 -1.26 -1.92 116.66 113.60 1wi6 n ARG 127 Ca -0.17 0.57 -0.16 0.00 -0.77 0.00 0.00 57.85 57.32 1wi6 n ARG 127 Cb 0.51 -5.26 0.08 0.00 -1.02 0.00 0.00 32.46 26.77 1wi6 n ARG 127 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1wi6 n GLU 128 N -4.50 -5.59 -3.78 5.56 1.02 -1.26 -5.02 120.64 107.07 1wi6 n GLU 128 Ca -0.11 0.83 -0.13 0.00 -0.02 0.00 0.00 57.16 57.73 1wi6 n GLU 128 Cb 0.59 -5.75 -0.10 0.00 -0.02 0.00 0.00 31.44 26.17 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 -5.13 0.54 -0.22 3.49 1.04 -0.81 -5.13 118.95 112.74 1wi6 s ARG 129 Ca 0.09 -0.02 -0.26 0.00 -1.04 0.00 0.00 55.73 54.50 1wi6 s ARG 129 Cb -0.01 0.24 -0.00 0.00 -2.04 0.00 0.00 34.95 33.14 1wi6 s ARG 129 CO 0.71 -0.13 0.89 -2.00 -0.04 0.00 0.00 175.30 174.73 1wi6 s GLU 130 N -0.85 4.24 -0.17 3.89 -6.30 -1.26 -1.60 118.70 116.64 1wi6 s GLU 130 Ca -0.09 1.08 -0.08 0.00 -2.50 0.00 0.00 54.97 53.38 1wi6 s GLU 130 Cb -0.05 -3.62 -0.04 0.00 0.00 0.00 0.00 34.13 30.42 1wi6 s GLU 130 CO 0.03 -0.50 0.11 -0.51 0.02 0.00 0.00 175.26 174.41 1wi6 s LEU 131 N 2.74 4.11 -0.14 2.70 1.43 -0.82 -4.83 118.68 123.88 1wi6 s LEU 131 Ca 0.38 0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.66 1wi6 s LEU 131 Cb -0.16 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1wi6 s LEU 131 CO 0.09 0.24 0.08 -0.55 0.23 0.00 0.00 176.35 176.43 1wi6 s SER 132 N -0.04 5.80 -0.07 2.29 0.15 -1.02 -4.07 113.70 116.75 1wi6 s SER 132 Ca 0.09 0.22 -0.03 0.00 0.70 0.00 0.00 55.95 56.92 1wi6 s SER 132 Cb -0.12 -1.89 0.04 0.00 -1.71 0.00 0.00 66.02 62.34 1wi6 s SER 132 CO 0.00 0.29 0.15 -0.69 1.20 0.00 0.00 173.24 174.19 1wi6 s VAL 133 N -0.30 -0.04 0.22 4.45 1.01 -1.26 -1.76 120.40 122.70 1wi6 s VAL 133 Ca 0.09 0.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 1wi6 s VAL 133 Cb -0.12 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.03 1wi6 s VAL 133 CO 0.01 0.07 0.52 0.00 0.00 0.00 0.00 175.10 175.70 1wi6 s GLN 134 N 1.08 1.45 0.44 2.72 -2.07 -0.88 -4.74 119.66 117.66 1wi6 s GLN 134 Ca -0.08 -1.00 -0.24 0.00 -1.82 0.00 0.00 55.36 52.22 1wi6 s GLN 134 Cb -0.11 0.51 -0.08 0.00 -1.09 0.00 0.00 33.01 32.25 1wi6 s GLN 134 CO -0.06 -0.61 1.21 -0.51 -1.32 0.00 0.00 175.29 174.00 1wi6 s LEU 135 N -2.92 4.08 0.63 2.60 1.43 -1.26 -1.03 118.68 122.21 1wi6 s LEU 135 Ca 0.13 2.42 -0.17 0.00 -1.03 0.00 0.00 54.13 55.47 1wi6 s LEU 135 Cb -0.01 -4.13 -0.05 0.00 0.03 0.00 0.00 46.19 42.03 1wi6 s LEU 135 CO 0.01 -0.90 0.77 0.00 0.23 0.00 0.00 176.35 176.47 1wi6 n GLN 136 N -0.29 0.63 -2.26 1.70 10.64 0.13 -4.71 117.38 123.22 1wi6 n GLN 136 Ca 0.06 0.25 -0.36 0.00 -1.83 0.00 0.00 57.00 55.12 1wi6 n GLN 136 Cb 0.47 -2.00 -0.01 0.00 -0.86 0.00 0.00 30.24 27.84 1wi6 n GLN 136 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1wi6 s PRO 137 N -2.67 3.65 0.15 2.61 0.04 -1.26 -4.71 135.00 132.81 1wi6 s PRO 137 Ca 0.72 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 63.27 1wi6 s PRO 137 Cb -0.40 -2.30 0.03 0.00 0.04 0.00 0.00 34.50 31.87 1wi6 s PRO 137 CO 0.51 -0.63 1.62 1.15 0.04 0.00 0.00 177.00 179.69 1wi6 h THR 138 N 1.69 0.36 -3.43 1.26 2.02 -2.01 -3.32 112.91 109.50 1wi6 h THR 138 Ca -0.50 0.00 -0.73 0.00 0.77 0.00 0.00 66.41 65.95 1wi6 h THR 138 Cb 1.25 0.36 -0.30 0.00 -1.74 0.00 0.00 68.15 67.72 1wi6 h THR 138 CO 0.59 0.00 -0.29 -1.81 0.37 0.00 0.00 175.52 174.38 1wi6 s ASP 139 N -5.03 5.83 -0.17 4.18 1.11 -1.26 -4.91 116.67 116.42 1wi6 s ASP 139 Ca -0.15 -2.23 -0.16 0.00 0.18 0.00 0.00 52.55 50.19 1wi6 s ASP 139 Cb 0.12 -2.03 -0.13 0.00 1.07 0.00 0.00 42.92 41.96 1wi6 s ASP 139 CO 0.68 -0.62 0.13 0.00 1.18 0.00 0.00 175.17 176.54 1wi6 h ALA 140 N 8.08 0.13 -2.05 5.23 0.00 -1.99 -3.45 119.26 125.21 1wi6 h ALA 140 Ca -0.12 -0.80 -0.57 0.00 0.00 0.00 0.00 54.91 53.43 1wi6 h ALA 140 Cb 1.05 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 1wi6 h ALA 140 CO 0.82 0.50 1.02 -1.17 0.00 0.00 0.00 179.25 180.42 1wi6 s LEU 141 N -8.09 3.98 0.05 0.00 1.98 -1.26 -5.01 118.68 110.34 1wi6 s LEU 141 Ca -0.21 1.54 0.05 0.00 -2.89 0.00 0.00 54.13 52.62 1wi6 s LEU 141 Cb 0.03 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.31 1wi6 s LEU 141 CO 0.43 -1.07 -0.08 -0.22 -1.89 0.00 0.00 176.35 173.52 1wi6 s LEU 142 N 4.46 3.10 -0.04 -0.68 2.96 -1.26 -5.13 118.68 122.10 1wi6 s LEU 142 Ca 0.63 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1wi6 s LEU 142 Cb -0.22 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.64 1wi6 s LEU 142 CO 0.24 0.23 -0.10 0.00 -1.32 0.00 0.00 176.35 175.40 1wi6 n SER 144 N 3.48 1.71 -3.64 0.00 2.88 -1.26 -5.02 113.62 111.77 1wi6 n SER 144 Ca -0.20 0.29 -0.36 0.00 -1.33 0.00 0.00 58.87 57.27 1wi6 n SER 144 Cb 0.53 -0.69 -0.00 0.00 -0.75 0.00 0.00 64.21 63.30 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 1.60 -2.24 0.06 0.46 0.00 -1.26 -4.89 105.19 98.93 1wi6 n GLY 145 Ca -0.35 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 1wi6 n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wi6 h PRO 146 N 0.33 0.04 -1.51 1.61 0.13 -2.07 -3.44 132.00 127.09 1wi6 h PRO 146 Ca -0.30 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.73 1wi6 h PRO 146 Cb 1.22 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.09 1wi6 h PRO 146 CO 0.40 0.52 -0.43 -1.12 -0.23 0.00 0.00 178.00 177.14 1wi6 s SER 147 N -5.75 -0.37 0.82 1.44 0.01 -1.26 -5.15 113.70 103.44 1wi6 s SER 147 Ca -0.16 0.22 -0.14 0.00 1.31 0.00 0.00 55.95 57.18 1wi6 s SER 147 Cb 0.02 1.49 0.02 0.00 0.21 0.00 0.00 66.02 67.77 1wi6 s SER 147 CO 0.68 -0.30 0.71 -1.20 0.41 0.00 0.00 173.24 173.54 1wi6 n SER 148 N 5.38 -0.73 0.00 2.44 7.64 -1.26 -5.26 113.62 121.83 1wi6 n SER 148 Ca -0.01 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1wi6 n SER 148 Cb 0.51 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1wi6 n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64