#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 -0.52 -0.22 1.61 0.15 -1.26 -5.08 113.70 108.39 1wi6 s SER 63 Ca 0.00 0.99 -0.16 0.00 0.70 0.00 0.00 55.95 57.48 1wi6 s SER 63 Cb 0.00 1.00 -0.09 0.00 -1.71 0.00 0.00 66.02 65.22 1wi6 s SER 63 CO 0.00 -0.17 -0.35 -0.24 1.20 0.00 0.00 173.24 173.68 1wi6 n SER 64 N 2.88 1.93 -0.44 5.45 2.88 -1.26 -5.08 113.62 119.98 1wi6 n SER 64 Ca -0.14 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1wi6 n SER 64 Cb 0.57 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1wi6 n SER 64 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi6 n GLY 65 N 1.39 0.81 3.65 0.46 0.00 -1.26 -5.01 105.19 105.22 1wi6 n GLY 65 Ca -0.33 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1wi6 n GLY 65 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wi6 s SER 66 N -2.15 6.42 0.18 1.61 0.15 -1.26 -4.39 113.70 114.26 1wi6 s SER 66 Ca 0.00 2.16 0.06 0.00 0.70 0.00 0.00 55.95 58.88 1wi6 s SER 66 Cb 0.00 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1wi6 s SER 66 CO 0.00 -1.14 0.07 -0.94 1.20 0.00 0.00 173.24 172.43 1wi6 s SER 67 N 4.33 5.14 0.00 5.45 1.04 -1.26 -4.43 113.70 123.96 1wi6 s SER 67 Ca 0.79 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1wi6 s SER 67 Cb -0.34 -1.22 0.00 0.00 0.10 0.00 0.00 66.02 64.56 1wi6 s SER 67 CO 0.33 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.22 1wi6 n GLY 68 N -0.34 4.19 3.19 7.32 0.00 -1.26 -4.82 105.19 113.47 1wi6 n GLY 68 Ca -0.09 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.94 0.83 -0.03 -0.61 -5.25 -0.64 -2.64 121.20 110.91 1wi6 s ILE 69 Ca 0.00 -1.97 -0.00 0.00 -0.99 0.00 0.00 60.65 57.69 1wi6 s ILE 69 Cb 0.00 -1.74 0.03 0.00 2.95 0.00 0.00 42.46 43.70 1wi6 s ILE 69 CO 0.00 -0.83 0.02 -0.22 -1.79 0.00 0.00 174.94 172.12 1wi6 s LEU 70 N -3.08 1.00 -0.02 0.37 2.96 -0.11 -3.42 118.68 116.38 1wi6 s LEU 70 Ca 0.13 0.01 0.06 0.00 -0.22 0.00 0.00 54.13 54.11 1wi6 s LEU 70 Cb 0.05 -0.17 -0.03 0.00 0.50 0.00 0.00 46.19 46.54 1wi6 s LEU 70 CO -0.03 -0.13 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.04 1wi6 s ILE 71 N 1.20 2.64 -0.06 6.68 1.01 -1.11 -1.69 121.20 129.87 1wi6 s ILE 71 Ca -0.07 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.66 1wi6 s ILE 71 Cb -0.13 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.32 1wi6 s ILE 71 CO -0.02 0.54 -0.20 -0.13 0.00 0.00 0.00 174.94 175.12 1wi6 s ARG 72 N -0.83 2.19 0.00 2.79 0.52 0.07 -3.28 118.95 120.41 1wi6 s ARG 72 Ca 0.12 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 1wi6 s ARG 72 Cb -0.10 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.54 1wi6 s ARG 72 CO 0.01 0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.99 1wi6 n GLY 73 N 3.20 -0.11 3.93 -3.53 0.00 -1.09 -3.02 105.19 104.57 1wi6 n GLY 73 Ca -0.18 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.16 4.32 0.89 0.99 1.43 -1.05 -4.88 118.68 119.23 1wi6 s LEU 74 Ca 0.00 0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 1wi6 s LEU 74 Cb 0.00 -3.03 0.13 0.00 0.03 0.00 0.00 46.19 43.32 1wi6 s LEU 74 CO 0.00 0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.59 1wi6 s PRO 75 N -2.91 1.30 0.33 1.29 0.04 -1.26 -4.93 135.00 128.85 1wi6 s PRO 75 Ca 0.36 0.84 0.26 0.00 0.04 0.00 0.00 61.00 62.50 1wi6 s PRO 75 Cb -0.12 -1.81 1.06 0.00 0.04 0.00 0.00 34.50 33.67 1wi6 s PRO 75 CO 0.28 -2.22 1.78 0.78 0.04 0.00 0.00 177.00 177.66 1wi6 h GLY 76 N -1.53 0.00 -1.81 0.56 0.00 -2.00 -2.53 103.07 95.76 1wi6 h GLY 76 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1wi6 h GLY 76 CO 0.54 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.30 1wi6 n ASP 77 N -2.44 3.97 -4.60 0.19 9.92 -1.26 -4.99 116.55 117.34 1wi6 n ASP 77 Ca 0.02 -2.84 -0.43 0.00 -0.53 0.00 0.00 54.79 51.01 1wi6 n ASP 77 Cb 0.26 -0.52 -0.03 0.00 -0.64 0.00 0.00 41.12 40.19 1wi6 n ASP 77 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wi6 s VAL 78 N -2.52 3.17 0.35 2.53 0.11 -0.95 -4.96 120.40 118.13 1wi6 s VAL 78 Ca 0.41 0.18 0.09 0.00 -2.93 0.00 0.00 61.98 59.73 1wi6 s VAL 78 Cb 0.32 -3.23 -0.06 0.00 -1.53 0.00 0.00 36.38 31.87 1wi6 s VAL 78 CO 0.11 -0.14 -0.07 0.28 -3.33 0.00 0.00 175.10 171.95 1wi6 s THR 79 N 7.74 2.27 0.51 5.04 -1.32 -1.26 -4.93 115.64 123.68 1wi6 s THR 79 Ca 0.93 -2.16 0.24 0.00 -1.21 0.00 0.00 61.69 59.49 1wi6 s THR 79 Cb -0.30 -2.69 0.40 0.00 -1.51 0.00 0.00 72.50 68.40 1wi6 s THR 79 CO 0.35 -0.19 1.96 -0.55 -2.21 0.00 0.00 174.62 173.98 1wi6 h ASN 80 N 1.98 0.10 -0.18 8.08 7.08 -1.97 0.14 115.58 130.81 1wi6 h ASN 80 Ca -0.42 0.01 -0.05 0.00 -3.08 0.00 0.00 56.30 52.75 1wi6 h ASN 80 Cb 1.25 -0.01 -0.02 0.00 -2.08 0.00 0.00 38.32 37.46 1wi6 h ASN 80 CO 0.71 0.05 -0.03 -0.61 -2.08 0.00 0.00 177.43 175.47 1wi6 h GLN 81 N 0.10 0.47 -0.30 4.14 5.75 -1.97 -0.89 115.11 122.41 1wi6 h GLN 81 Ca 0.31 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.69 1wi6 h GLN 81 Cb 1.10 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 1wi6 h GLN 81 CO -0.03 0.52 0.10 1.49 -2.65 0.00 0.00 178.83 178.25 1wi6 h GLU 82 N 0.45 0.47 -0.35 1.69 4.57 -1.09 -0.14 114.58 120.18 1wi6 h GLU 82 Ca 0.10 -0.10 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 1wi6 h GLU 82 Cb 0.34 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1wi6 h GLU 82 CO 0.01 0.51 -0.40 -0.39 -1.18 0.00 0.00 179.01 177.57 1wi6 h VAL 83 N 0.33 1.28 -0.16 0.32 -1.51 -1.45 -2.09 116.25 112.96 1wi6 h VAL 83 Ca 0.10 -1.57 -0.01 0.00 -1.23 0.00 0.00 66.70 63.98 1wi6 h VAL 83 Cb 0.24 1.42 -0.01 0.00 -2.13 0.00 0.00 31.29 30.82 1wi6 h VAL 83 CO -0.00 0.52 0.05 0.45 -1.23 0.00 0.00 177.57 177.36 1wi6 h HIS 84 N 0.70 0.25 -0.65 5.19 3.86 -1.05 -1.93 115.15 121.52 1wi6 h HIS 84 Ca 0.06 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1wi6 h HIS 84 Cb 0.97 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.34 1wi6 h HIS 84 CO 0.06 0.34 0.25 0.22 0.86 0.00 0.00 177.93 179.66 1wi6 h ASP 85 N 0.08 0.88 -0.71 2.45 3.58 -1.03 0.21 116.42 121.88 1wi6 h ASP 85 Ca 0.05 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 1wi6 h ASP 85 Cb 0.21 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 1wi6 h ASP 85 CO -0.00 0.79 0.31 0.25 -2.88 0.00 0.00 179.24 177.71 1wi6 h LEU 86 N 0.94 0.96 -3.66 2.28 5.85 -1.18 -2.85 115.31 117.64 1wi6 h LEU 86 Ca 0.22 -0.15 -0.40 0.00 0.84 0.00 0.00 57.88 58.38 1wi6 h LEU 86 Cb 0.19 -0.25 -0.24 0.00 0.37 0.00 0.00 40.66 40.74 1wi6 h LEU 86 CO -0.02 0.85 0.11 0.18 -0.34 0.00 0.00 178.44 179.22 1wi6 n LEU 87 N -4.39 5.45 -0.17 2.25 4.77 -0.74 -4.62 117.00 119.54 1wi6 n LEU 87 Ca 0.06 -4.03 0.01 0.00 -0.03 0.00 0.00 56.01 52.02 1wi6 n LEU 87 Cb 0.16 -0.69 0.02 0.00 -2.33 0.00 0.00 43.42 40.57 1wi6 n LEU 87 CO 0.39 1.42 0.47 -0.24 -1.33 0.00 0.00 177.39 178.11 1wi6 n SER 88 N -1.02 0.42 -0.01 -1.43 2.88 0.70 -2.98 113.62 112.19 1wi6 n SER 88 Ca 0.46 -2.01 0.05 0.00 -1.33 0.00 0.00 58.87 56.04 1wi6 n SER 88 Cb 1.07 -0.12 -0.09 0.00 -0.75 0.00 0.00 64.21 64.32 1wi6 n SER 88 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1wi6 n ASP 89 N -0.30 2.45 -4.86 -3.46 9.92 -1.26 -5.03 116.55 114.01 1wi6 n ASP 89 Ca 0.01 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.98 1wi6 n ASP 89 Cb 0.09 1.46 -0.03 0.00 -0.64 0.00 0.00 41.12 42.00 1wi6 n ASP 89 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1wi6 s TYR 90 N -2.74 1.66 -0.54 1.24 1.51 -1.16 -5.08 117.35 112.25 1wi6 s TYR 90 Ca -0.04 -0.90 -0.26 0.00 -1.01 0.00 0.00 57.07 54.86 1wi6 s TYR 90 Cb 0.07 -1.79 0.03 0.00 -0.11 0.00 0.00 41.96 40.16 1wi6 s TYR 90 CO 0.46 -0.23 1.04 -1.21 -1.11 0.00 0.00 175.55 174.49 1wi6 s GLU 91 N -4.14 3.46 -1.02 -0.62 8.01 -1.26 -4.97 118.70 118.15 1wi6 s GLU 91 Ca 0.22 0.04 -0.19 0.00 0.01 0.00 0.00 54.97 55.05 1wi6 s GLU 91 Cb -0.01 -4.01 0.11 0.00 -4.31 0.00 0.00 34.13 25.92 1wi6 s GLU 91 CO 0.14 -1.50 1.29 -0.51 0.01 0.00 0.00 175.26 174.69 1wi6 s LEU 92 N 4.28 4.59 0.17 1.80 1.43 -1.26 -3.46 118.68 126.23 1wi6 s LEU 92 Ca 0.37 -2.07 -0.15 0.00 -1.03 0.00 0.00 54.13 51.26 1wi6 s LEU 92 Cb -0.10 -2.45 0.07 0.00 0.03 0.00 0.00 46.19 43.73 1wi6 s LEU 92 CO 0.23 -1.13 1.81 0.11 0.23 0.00 0.00 176.35 177.60 1wi6 h LYS 93 N 8.73 0.56 -2.80 1.70 6.56 -1.65 -3.44 116.57 126.24 1wi6 h LYS 93 Ca 0.21 -0.03 -0.14 0.00 -1.06 0.00 0.00 60.65 59.63 1wi6 h LYS 93 Cb 0.99 -0.13 -0.26 0.00 -0.57 0.00 0.00 32.23 32.26 1wi6 h LYS 93 CO 1.23 0.37 -0.33 -0.47 -2.06 0.00 0.00 179.45 178.19 1wi6 s TYR 94 N -6.15 -0.47 -0.11 -1.35 5.04 -0.83 -5.00 117.35 108.48 1wi6 s TYR 94 Ca -0.13 1.07 0.03 0.00 -2.44 0.00 0.00 57.07 55.60 1wi6 s TYR 94 Cb 0.12 0.17 -0.00 0.00 0.35 0.00 0.00 41.96 42.60 1wi6 s TYR 94 CO 0.73 -0.26 -0.21 0.00 -1.34 0.00 0.00 175.55 174.47 1wi6 s PHE 96 N 0.34 0.87 -0.11 0.00 5.36 0.11 -5.02 117.98 119.53 1wi6 s PHE 96 Ca -0.17 -0.25 0.01 0.00 -0.96 0.00 0.00 56.93 55.56 1wi6 s PHE 96 Cb -0.17 -0.70 0.02 0.00 -0.34 0.00 0.00 43.02 41.83 1wi6 s PHE 96 CO 0.08 -0.17 -0.13 0.08 -1.46 0.00 0.00 175.22 173.62 1wi6 s VAL 97 N 0.63 1.40 -0.32 3.12 1.01 -1.26 -1.31 120.40 123.66 1wi6 s VAL 97 Ca -0.09 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1wi6 s VAL 97 Cb -0.13 -1.31 0.08 0.00 0.00 0.00 0.00 36.38 35.02 1wi6 s VAL 97 CO 0.01 0.42 0.03 -0.62 0.00 0.00 0.00 175.10 174.94 1wi6 s ASP 98 N 1.17 4.83 0.27 3.32 -1.08 -0.36 -4.95 116.67 119.87 1wi6 s ASP 98 Ca -0.03 -1.67 0.16 0.00 -0.52 0.00 0.00 52.55 50.48 1wi6 s ASP 98 Cb -0.14 -1.68 0.06 0.00 -1.46 0.00 0.00 42.92 39.70 1wi6 s ASP 98 CO -0.04 -0.33 1.39 0.07 0.52 0.00 0.00 175.17 176.78 1wi6 h LYS 99 N 7.86 0.00 0.48 4.34 2.10 -1.92 -1.81 116.57 127.62 1wi6 h LYS 99 Ca -0.15 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.48 1wi6 h LYS 99 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 1wi6 h LYS 99 CO 0.54 0.45 -0.23 1.88 -2.00 0.00 0.00 179.45 180.09 1wi6 h TYR 100 N 0.00 -0.60 -0.00 0.07 0.05 -1.93 -3.24 116.97 111.32 1wi6 h TYR 100 Ca -0.02 -0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.63 1wi6 h TYR 100 Cb 1.38 0.20 -0.02 0.00 1.01 0.00 0.00 36.73 39.30 1wi6 h TYR 100 CO 0.00 -0.37 -0.53 0.87 -1.05 0.00 0.00 178.16 177.08 1wi6 h LYS 101 N -0.74 0.01 0.00 4.88 1.79 -2.01 -3.47 116.57 117.03 1wi6 h LYS 101 Ca -0.07 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1wi6 h LYS 101 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1wi6 h LYS 101 CO 0.11 0.54 0.00 0.41 -1.08 0.00 0.00 179.45 179.43 1wi6 n GLY 102 N 0.01 1.33 3.16 3.86 0.00 -0.86 -4.93 105.19 107.76 1wi6 n GLY 102 Ca -0.01 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 0.80 -0.07 2.61 -4.23 -0.74 -2.52 115.64 109.49 1wi6 s THR 103 Ca 0.00 -1.72 0.02 0.00 -1.18 0.00 0.00 61.69 58.81 1wi6 s THR 103 Cb 0.00 -1.43 0.01 0.00 1.34 0.00 0.00 72.50 72.42 1wi6 s THR 103 CO 0.00 -0.68 -0.13 0.00 -0.54 0.00 0.00 174.62 173.26 1wi6 s ALA 104 N -2.87 1.38 -0.19 3.99 0.00 -1.20 -1.22 121.76 121.65 1wi6 s ALA 104 Ca 0.07 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 1wi6 s ALA 104 Cb 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1wi6 s ALA 104 CO -0.02 0.09 -0.04 -0.06 0.00 0.00 0.00 175.76 175.73 1wi6 s PHE 105 N 0.72 2.97 -0.03 0.00 0.08 -0.43 -2.74 117.98 118.54 1wi6 s PHE 105 Ca -0.13 -0.66 0.05 0.00 0.12 0.00 0.00 56.93 56.32 1wi6 s PHE 105 Cb -0.16 -2.04 -0.01 0.00 -0.57 0.00 0.00 43.02 40.24 1wi6 s PHE 105 CO 0.03 -0.33 -0.20 0.08 -0.10 0.00 0.00 175.22 174.70 1wi6 s VAL 106 N 1.01 1.58 -0.26 -0.44 1.01 -1.22 -0.71 120.40 121.37 1wi6 s VAL 106 Ca 0.01 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1wi6 s VAL 106 Cb -0.15 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.90 1wi6 s VAL 106 CO 0.01 0.45 0.02 -0.89 0.00 0.00 0.00 175.10 174.68 1wi6 s THR 107 N -0.24 3.60 0.63 3.92 2.01 0.38 -1.63 115.64 124.31 1wi6 s THR 107 Ca 0.02 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.35 1wi6 s THR 107 Cb -0.10 -2.79 0.09 0.00 0.01 0.00 0.00 72.50 69.71 1wi6 s THR 107 CO 0.01 0.20 0.87 -0.76 -0.69 0.00 0.00 174.62 174.25 1wi6 s LEU 108 N 1.46 3.12 0.03 4.42 1.43 -1.26 -1.81 118.68 126.07 1wi6 s LEU 108 Ca 0.03 -0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 52.53 1wi6 s LEU 108 Cb -0.16 -2.21 -0.14 0.00 0.03 0.00 0.00 46.19 43.71 1wi6 s LEU 108 CO -0.00 -1.50 1.21 0.25 0.23 0.00 0.00 176.35 176.53 1wi6 h LEU 109 N -0.17 -0.75 0.00 1.79 5.85 -1.97 -3.45 115.31 116.62 1wi6 h LEU 109 Ca -0.37 0.03 -0.59 0.00 0.84 0.00 0.00 57.88 57.78 1wi6 h LEU 109 Cb 1.28 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 42.40 1wi6 h LEU 109 CO 0.44 -0.48 -0.40 -0.46 -0.34 0.00 0.00 178.44 177.20 1wi6 n ASN 110 N -4.74 3.16 0.12 1.25 0.23 -1.26 -4.93 115.26 109.10 1wi6 n ASN 110 Ca -0.11 -2.98 0.01 0.00 -0.53 0.00 0.00 54.58 50.96 1wi6 n ASN 110 Cb 0.35 0.26 -0.00 0.00 -2.08 0.00 0.00 39.78 38.30 1wi6 n ASN 110 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1wi6 h GLY 111 N 1.02 0.00 0.87 4.83 0.00 -1.77 -3.30 103.07 104.71 1wi6 h GLY 111 Ca -0.37 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.97 1wi6 h GLY 111 CO 0.62 0.00 0.12 0.83 0.00 0.00 0.00 176.54 178.11 1wi6 h GLU 112 N 0.00 0.25 -0.65 4.80 4.39 -1.96 -0.66 114.58 120.75 1wi6 h GLU 112 Ca -0.01 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1wi6 h GLU 112 Cb 1.46 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 30.02 1wi6 h GLU 112 CO 0.08 0.17 0.29 1.96 -1.16 0.00 0.00 179.01 180.34 1wi6 h GLN 113 N 0.26 0.94 -0.25 2.33 4.20 -2.00 -1.29 115.11 119.30 1wi6 h GLN 113 Ca 0.11 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1wi6 h GLN 113 Cb 0.04 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1wi6 h GLN 113 CO -0.08 0.75 0.06 0.00 -0.67 0.00 0.00 178.83 178.89 1wi6 h ALA 114 N 1.38 0.34 -0.33 3.87 0.00 -1.50 -1.05 119.26 121.96 1wi6 h ALA 114 Ca 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1wi6 h ALA 114 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wi6 h ALA 114 CO -0.02 -0.01 0.14 1.49 0.00 0.00 0.00 179.25 180.85 1wi6 h GLU 115 N 0.24 0.50 -0.45 0.00 4.81 -0.88 0.13 114.58 118.92 1wi6 h GLU 115 Ca 0.08 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wi6 h GLU 115 Cb 0.29 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1wi6 h GLU 115 CO 0.00 0.49 0.29 0.00 -0.73 0.00 0.00 179.01 179.06 1wi6 h ALA 116 N 0.99 0.58 -0.35 2.92 0.00 -1.18 0.33 119.26 122.55 1wi6 h ALA 116 Ca 0.11 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1wi6 h ALA 116 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1wi6 h ALA 116 CO -0.01 0.04 -0.07 0.00 0.00 0.00 0.00 179.25 179.20 1wi6 h ALA 117 N 1.16 0.47 -0.63 0.00 0.00 -1.04 -2.90 119.26 116.32 1wi6 h ALA 117 Ca 0.17 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1wi6 h ALA 117 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1wi6 h ALA 117 CO -0.03 0.31 0.02 0.82 0.00 0.00 0.00 179.25 180.37 1wi6 h ILE 118 N 0.45 1.27 -0.46 0.00 2.04 -0.52 0.26 117.51 120.55 1wi6 h ILE 118 Ca 0.09 -1.14 0.06 0.00 1.00 0.00 0.00 64.86 64.87 1wi6 h ILE 118 Cb 0.57 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1wi6 h ILE 118 CO 0.03 0.42 0.14 -1.13 0.00 0.00 0.00 178.15 177.61 1wi6 h ASN 119 N 1.00 0.12 0.01 1.72 -0.73 -0.27 0.85 115.58 118.29 1wi6 h ASN 119 Ca 0.18 0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.38 1wi6 h ASN 119 Cb 0.54 0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.20 1wi6 h ASN 119 CO 0.03 0.10 -0.13 0.74 -0.37 0.00 0.00 177.43 177.80 1wi6 h THR 120 N 0.30 1.68 0.00 -3.57 2.02 -1.40 -3.28 112.91 108.67 1wi6 h THR 120 Ca 0.22 -2.16 -0.00 0.00 0.77 0.00 0.00 66.41 65.23 1wi6 h THR 120 Cb 0.24 3.13 -0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1wi6 h THR 120 CO -0.24 0.57 -0.00 -0.26 0.37 0.00 0.00 175.52 175.96 1wi6 h PHE 121 N -0.79 0.00 -3.94 3.16 0.04 -0.37 -3.41 116.94 111.62 1wi6 h PHE 121 Ca -0.02 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.29 1wi6 h PHE 121 Cb 1.01 0.00 0.16 0.00 2.20 0.00 0.00 35.95 39.32 1wi6 h PHE 121 CO 0.23 0.00 0.21 -1.58 -0.60 0.00 0.00 178.31 176.58 1wi6 s HIS 122 N -4.84 2.17 -0.36 -0.55 5.65 0.29 -3.20 115.29 114.45 1wi6 s HIS 122 Ca -0.05 1.10 0.00 0.00 0.25 0.00 0.00 55.06 56.36 1wi6 s HIS 122 Cb 0.16 -3.22 0.00 0.00 -1.18 0.00 0.00 32.58 28.34 1wi6 s HIS 122 CO 0.61 -2.72 0.00 0.00 -0.65 0.00 0.00 174.74 171.98 1wi6 n GLN 123 N -4.08 -1.96 -2.75 2.88 10.64 -1.26 -4.88 117.38 115.98 1wi6 n GLN 123 Ca 0.06 0.20 -0.21 0.00 -1.83 0.00 0.00 57.00 55.22 1wi6 n GLN 123 Cb 0.56 -4.51 0.06 0.00 -0.86 0.00 0.00 30.24 25.50 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 -1.68 4.97 0.05 2.61 1.04 -1.19 -4.98 113.70 114.51 1wi6 s SER 124 Ca 0.00 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.09 1wi6 s SER 124 Cb 0.00 -0.31 -0.03 0.00 0.10 0.00 0.00 66.02 65.79 1wi6 s SER 124 CO 0.00 -1.38 -0.07 -0.13 0.98 0.00 0.00 173.24 172.64 1wi6 s ARG 125 N -4.82 0.56 -0.16 4.02 0.52 -1.26 -2.50 118.95 115.31 1wi6 s ARG 125 Ca 0.61 -0.86 -0.06 0.00 -0.52 0.00 0.00 55.73 54.90 1wi6 s ARG 125 Cb -0.08 -0.20 0.07 0.00 0.52 0.00 0.00 34.95 35.27 1wi6 s ARG 125 CO 0.40 0.02 0.34 -1.17 0.02 0.00 0.00 175.30 174.90 1wi6 s LEU 126 N -1.89 -0.36 -1.38 2.53 2.96 -0.48 -4.91 118.68 115.14 1wi6 s LEU 126 Ca -0.06 0.77 -0.04 0.00 -0.22 0.00 0.00 54.13 54.58 1wi6 s LEU 126 Cb -0.06 1.02 0.02 0.00 0.50 0.00 0.00 46.19 47.67 1wi6 s LEU 126 CO -0.01 -0.23 0.74 0.54 -1.32 0.00 0.00 176.35 176.07 1wi6 n ARG 127 N 5.17 -4.85 -3.51 1.98 1.74 -1.26 -1.97 116.66 113.96 1wi6 n ARG 127 Ca -0.10 0.58 -0.19 0.00 -0.77 0.00 0.00 57.85 57.38 1wi6 n ARG 127 Cb 0.50 -5.18 0.07 0.00 -1.02 0.00 0.00 32.46 26.84 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 -4.40 -5.53 -3.75 5.56 1.02 -1.26 -5.01 120.64 107.27 1wi6 n GLU 128 Ca -0.21 0.77 -0.13 0.00 -0.02 0.00 0.00 57.16 57.57 1wi6 n GLU 128 Cb 0.64 -5.59 -0.10 0.00 -0.02 0.00 0.00 31.44 26.36 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 -5.49 0.44 0.10 3.49 1.04 -0.83 -5.15 118.95 112.56 1wi6 s ARG 129 Ca 0.05 0.46 -0.30 0.00 -1.04 0.00 0.00 55.73 54.90 1wi6 s ARG 129 Cb -0.01 0.21 -0.06 0.00 -2.04 0.00 0.00 34.95 33.06 1wi6 s ARG 129 CO 0.76 -0.06 0.96 -1.83 -0.04 0.00 0.00 175.30 175.09 1wi6 s GLU 130 N 0.09 4.69 -0.12 3.89 1.03 -1.26 -1.39 118.70 125.63 1wi6 s GLU 130 Ca -0.01 1.44 -0.00 0.00 0.03 0.00 0.00 54.97 56.43 1wi6 s GLU 130 Cb -0.03 -3.38 -0.02 0.00 -0.80 0.00 0.00 34.13 29.90 1wi6 s GLU 130 CO 0.01 0.20 -0.10 -0.51 -1.33 0.00 0.00 175.26 173.53 1wi6 s LEU 131 N 0.04 2.89 -0.23 1.83 1.43 -1.04 -4.87 118.68 118.73 1wi6 s LEU 131 Ca 0.47 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 53.29 1wi6 s LEU 131 Cb -0.23 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1wi6 s LEU 131 CO 0.30 0.22 0.00 -0.44 0.23 0.00 0.00 176.35 176.65 1wi6 s SER 132 N 0.05 4.62 -0.03 2.29 0.01 -1.17 -4.07 113.70 115.41 1wi6 s SER 132 Ca -0.03 -0.32 0.06 0.00 1.31 0.00 0.00 55.95 56.97 1wi6 s SER 132 Cb -0.14 -1.81 -0.01 0.00 0.21 0.00 0.00 66.02 64.27 1wi6 s SER 132 CO 0.04 -0.03 -0.21 -0.69 0.41 0.00 0.00 173.24 172.76 1wi6 s VAL 133 N 1.53 1.66 0.16 3.43 1.01 -1.26 -0.75 120.40 126.18 1wi6 s VAL 133 Ca 0.06 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 1wi6 s VAL 133 Cb -0.15 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1wi6 s VAL 133 CO -0.01 0.47 0.40 0.00 0.00 0.00 0.00 175.10 175.97 1wi6 s GLN 134 N -0.37 1.21 0.43 2.72 -2.07 -0.68 -4.89 119.66 116.02 1wi6 s GLN 134 Ca 0.05 -0.93 -0.25 0.00 -1.82 0.00 0.00 55.36 52.40 1wi6 s GLN 134 Cb -0.09 0.45 -0.08 0.00 -1.09 0.00 0.00 33.01 32.20 1wi6 s GLN 134 CO 0.00 -0.48 1.34 -0.51 -1.32 0.00 0.00 175.29 174.33 1wi6 s LEU 135 N -2.89 4.15 0.69 2.60 1.43 -1.26 -0.93 118.68 122.48 1wi6 s LEU 135 Ca 0.10 2.74 -0.17 0.00 -1.03 0.00 0.00 54.13 55.77 1wi6 s LEU 135 Cb 0.01 -3.95 0.02 0.00 0.03 0.00 0.00 46.19 42.30 1wi6 s LEU 135 CO -0.04 -1.00 1.26 0.00 0.23 0.00 0.00 176.35 176.79 1wi6 s GLN 136 N -2.37 2.29 0.18 1.70 -2.07 -1.08 -4.73 119.66 113.59 1wi6 s GLN 136 Ca 0.59 1.96 -0.30 0.00 -1.82 0.00 0.00 55.36 55.79 1wi6 s GLN 136 Cb -0.40 -1.83 -0.08 0.00 -1.09 0.00 0.00 33.01 29.61 1wi6 s GLN 136 CO 0.51 -1.77 1.32 -1.25 -1.32 0.00 0.00 175.29 172.78 1wi6 s PRO 137 N -3.61 4.38 0.51 9.60 0.04 -1.26 -4.91 135.00 139.74 1wi6 s PRO 137 Ca 0.79 2.04 0.23 0.00 0.04 0.00 0.00 61.00 64.10 1wi6 s PRO 137 Cb -0.34 -3.21 1.31 0.00 0.04 0.00 0.00 34.50 32.30 1wi6 s PRO 137 CO 0.43 -0.28 1.98 0.00 0.04 0.00 0.00 177.00 179.17 1wi6 h THR 138 N 3.85 0.76 -3.33 1.26 1.03 -1.99 -3.36 112.91 111.13 1wi6 h THR 138 Ca -0.44 -0.04 -0.53 0.00 -0.01 0.00 0.00 66.41 65.39 1wi6 h THR 138 Cb 1.21 0.65 -0.40 0.00 -1.07 0.00 0.00 68.15 68.55 1wi6 h THR 138 CO 0.79 0.02 -0.77 -0.62 -0.01 0.00 0.00 175.52 174.93 1wi6 s ASP 139 N -6.19 3.04 -0.24 0.00 2.15 -1.26 -4.99 116.67 109.17 1wi6 s ASP 139 Ca -0.06 -0.86 0.17 0.00 0.43 0.00 0.00 52.55 52.23 1wi6 s ASP 139 Cb 0.20 -0.70 0.48 0.00 -0.30 0.00 0.00 42.92 42.60 1wi6 s ASP 139 CO 0.74 -0.29 1.15 0.00 -0.17 0.00 0.00 175.17 176.60 1wi6 n ALA 140 N 4.98 3.47 -3.03 3.66 0.00 -1.26 -5.05 120.51 123.28 1wi6 n ALA 140 Ca -0.09 -3.11 -0.14 0.00 0.00 0.00 0.00 53.44 50.10 1wi6 n ALA 140 Cb 0.47 -0.64 -0.15 0.00 0.00 0.00 0.00 19.45 19.13 1wi6 n ALA 140 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wi6 s LEU 141 N -3.36 1.81 -0.46 0.00 2.96 -1.26 -5.12 118.68 113.26 1wi6 s LEU 141 Ca 0.37 -0.03 -0.26 0.00 -0.22 0.00 0.00 54.13 53.99 1wi6 s LEU 141 Cb 0.36 -0.12 0.03 0.00 0.50 0.00 0.00 46.19 46.96 1wi6 s LEU 141 CO -0.03 -0.00 0.94 -0.22 -1.32 0.00 0.00 176.35 175.72 1wi6 s LEU 142 N 0.19 3.98 0.33 -0.68 0.20 -1.26 -5.00 118.68 116.45 1wi6 s LEU 142 Ca -0.02 0.17 0.02 0.00 0.69 0.00 0.00 54.13 54.99 1wi6 s LEU 142 Cb -0.04 -3.22 -0.01 0.00 -0.43 0.00 0.00 46.19 42.49 1wi6 s LEU 142 CO -0.01 -1.05 0.38 0.00 -0.29 0.00 0.00 176.35 175.38 1wi6 s SER 144 N -3.29 -0.29 0.31 0.00 0.15 -1.26 -5.19 113.70 104.13 1wi6 s SER 144 Ca 0.35 -0.27 -0.12 0.00 0.70 0.00 0.00 55.95 56.61 1wi6 s SER 144 Cb 0.01 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.83 1wi6 s SER 144 CO 0.23 -0.88 0.58 -0.83 1.20 0.00 0.00 173.24 173.54 1wi6 s GLY 145 N -2.80 0.65 0.00 9.45 0.00 -1.26 -5.01 107.32 108.35 1wi6 s GLY 145 Ca 0.03 -0.93 0.14 0.00 0.00 0.00 0.00 44.72 43.96 1wi6 s GLY 145 CO -0.12 -0.58 1.25 -1.55 0.00 0.00 0.00 173.10 172.11 1wi6 n PRO 146 N -0.47 0.49 -2.00 2.90 -0.04 -1.26 -4.81 135.00 129.80 1wi6 n PRO 146 Ca -0.03 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.04 1wi6 n PRO 146 Cb 0.61 -1.45 -0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1wi6 n PRO 146 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wi6 s SER 147 N -1.95 6.30 -0.17 3.54 1.04 -1.26 -4.89 113.70 116.31 1wi6 s SER 147 Ca 0.21 2.73 -0.28 0.00 0.48 0.00 0.00 55.95 59.08 1wi6 s SER 147 Cb 0.10 -2.64 -0.06 0.00 0.10 0.00 0.00 66.02 63.52 1wi6 s SER 147 CO 0.16 -0.87 2.12 -0.44 0.98 0.00 0.00 173.24 175.20 1wi6 s SER 148 N -0.63 5.72 0.00 7.02 0.01 -1.26 -5.21 113.70 119.35 1wi6 s SER 148 Ca 0.56 2.01 0.00 0.00 1.31 0.00 0.00 55.95 59.84 1wi6 s SER 148 Cb -0.40 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.32 1wi6 s SER 148 CO 0.51 -1.73 0.00 0.61 0.41 0.00 0.00 173.24 173.04