#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 3.68 0.01 1.61 1.04 -1.26 -5.09 113.70 113.69 1wi6 s SER 63 Ca 0.00 0.95 -0.29 0.00 0.48 0.00 0.00 55.95 57.09 1wi6 s SER 63 Cb 0.00 -1.52 0.10 0.00 0.10 0.00 0.00 66.02 64.70 1wi6 s SER 63 CO 0.00 -2.44 1.12 -0.94 0.98 0.00 0.00 173.24 171.96 1wi6 s SER 64 N -4.10 -0.15 0.16 7.02 1.04 -1.26 -5.19 113.70 111.22 1wi6 s SER 64 Ca 0.63 -0.17 -0.23 0.00 0.48 0.00 0.00 55.95 56.66 1wi6 s SER 64 Cb -0.14 0.29 0.07 0.00 0.10 0.00 0.00 66.02 66.34 1wi6 s SER 64 CO 0.53 -0.51 0.60 -0.83 0.98 0.00 0.00 173.24 174.01 1wi6 s GLY 65 N -2.76 -0.62 -0.12 7.32 0.00 -1.26 -5.03 107.32 104.85 1wi6 s GLY 65 Ca 0.11 0.50 0.03 0.00 0.00 0.00 0.00 44.72 45.37 1wi6 s GLY 65 CO -0.03 0.17 -0.20 -0.45 0.00 0.00 0.00 173.10 172.59 1wi6 s SER 66 N -2.73 2.88 1.01 1.64 0.15 -1.26 -3.27 113.70 112.12 1wi6 s SER 66 Ca 0.01 -0.54 -0.13 0.00 0.70 0.00 0.00 55.95 56.00 1wi6 s SER 66 Cb -0.01 -1.32 0.20 0.00 -1.71 0.00 0.00 66.02 63.18 1wi6 s SER 66 CO -0.13 0.08 0.45 -1.54 1.20 0.00 0.00 173.24 173.30 1wi6 n SER 67 N 3.94 -3.10 0.00 5.45 3.41 -1.25 -4.47 113.62 117.60 1wi6 n SER 67 Ca -0.20 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.96 1wi6 n SER 67 Cb 0.52 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1wi6 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wi6 n GLY 68 N -1.64 0.14 3.14 5.00 0.00 -1.25 -4.77 105.19 105.81 1wi6 n GLY 68 Ca 0.07 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.54 0.13 -0.04 -0.61 -5.25 -0.72 -3.59 121.20 110.58 1wi6 s ILE 69 Ca 0.00 -1.90 -0.00 0.00 -0.99 0.00 0.00 60.65 57.75 1wi6 s ILE 69 Cb 0.00 -1.98 0.03 0.00 2.95 0.00 0.00 42.46 43.46 1wi6 s ILE 69 CO 0.00 -0.53 0.02 -0.22 -1.79 0.00 0.00 174.94 172.42 1wi6 s LEU 70 N -3.04 0.82 -0.03 0.37 2.96 0.08 -3.55 118.68 116.30 1wi6 s LEU 70 Ca 0.22 -0.00 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 1wi6 s LEU 70 Cb 0.07 -0.22 -0.03 0.00 0.50 0.00 0.00 46.19 46.52 1wi6 s LEU 70 CO 0.00 -0.15 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.11 1wi6 s ILE 71 N 1.45 3.10 -0.07 6.68 1.01 -1.18 -1.70 121.20 130.48 1wi6 s ILE 71 Ca -0.04 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.84 1wi6 s ILE 71 Cb -0.13 -2.25 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 1wi6 s ILE 71 CO -0.03 0.52 -0.21 -0.13 0.00 0.00 0.00 174.94 175.09 1wi6 s ARG 72 N -0.95 2.46 0.00 2.79 0.52 0.06 -3.44 118.95 120.40 1wi6 s ARG 72 Ca 0.13 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 1wi6 s ARG 72 Cb -0.11 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.38 1wi6 s ARG 72 CO 0.02 0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.98 1wi6 n GLY 73 N 3.32 -0.14 3.75 -3.53 0.00 -1.08 -3.03 105.19 104.48 1wi6 n GLY 73 Ca -0.19 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.67 3.71 0.69 0.99 1.43 -1.06 -4.89 118.68 118.88 1wi6 s LEU 74 Ca 0.00 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 52.89 1wi6 s LEU 74 Cb 0.00 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.84 1wi6 s LEU 74 CO 0.00 0.16 1.11 -2.16 0.23 0.00 0.00 176.35 175.69 1wi6 s PRO 75 N -2.44 2.67 0.51 1.29 0.04 -1.26 -4.91 135.00 130.91 1wi6 s PRO 75 Ca 0.28 1.33 0.35 0.00 0.04 0.00 0.00 61.00 63.01 1wi6 s PRO 75 Cb -0.12 -1.94 1.80 0.00 0.04 0.00 0.00 34.50 34.28 1wi6 s PRO 75 CO 0.21 -1.34 2.05 0.78 0.04 0.00 0.00 177.00 178.75 1wi6 h GLY 76 N -0.25 0.00 -2.52 0.56 0.00 -2.01 -0.05 103.07 98.80 1wi6 h GLY 76 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1wi6 h GLY 76 CO 0.53 0.00 0.00 1.34 0.00 0.00 0.00 176.54 178.41 1wi6 n ASP 77 N -2.76 4.22 -4.59 0.19 2.03 -1.26 -4.95 116.55 109.42 1wi6 n ASP 77 Ca -0.02 -2.36 -0.42 0.00 0.52 0.00 0.00 54.79 52.51 1wi6 n ASP 77 Cb 0.10 -0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 39.98 1wi6 n ASP 77 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wi6 s VAL 78 N -1.66 3.35 0.42 5.18 0.11 -0.04 -4.96 120.40 122.79 1wi6 s VAL 78 Ca 0.45 0.34 0.07 0.00 -2.93 0.00 0.00 61.98 59.91 1wi6 s VAL 78 Cb 0.28 -3.49 -0.07 0.00 -1.53 0.00 0.00 36.38 31.57 1wi6 s VAL 78 CO 0.23 -0.33 0.06 0.28 -3.33 0.00 0.00 175.10 172.01 1wi6 s THR 79 N 7.54 2.04 0.50 5.04 -1.32 -1.26 -4.95 115.64 123.23 1wi6 s THR 79 Ca 0.84 -1.91 0.20 0.00 -1.21 0.00 0.00 61.69 59.62 1wi6 s THR 79 Cb -0.24 -2.95 0.35 0.00 -1.51 0.00 0.00 72.50 68.15 1wi6 s THR 79 CO 0.33 0.00 2.03 0.78 -2.21 0.00 0.00 174.62 175.55 1wi6 h ASN 80 N 1.64 0.10 -0.16 8.08 4.21 -1.97 0.03 115.58 127.52 1wi6 h ASN 80 Ca -0.44 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.01 1wi6 h ASN 80 Cb 1.25 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 38.41 1wi6 h ASN 80 CO 0.77 0.06 -0.09 -0.61 -1.29 0.00 0.00 177.43 176.27 1wi6 h GLN 81 N 0.12 0.49 -0.25 0.81 5.75 -1.97 -0.09 115.11 119.97 1wi6 h GLN 81 Ca 0.20 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.53 1wi6 h GLN 81 Cb 0.64 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 1wi6 h GLN 81 CO -0.02 0.59 0.01 1.49 -2.65 0.00 0.00 178.83 178.25 1wi6 h GLU 82 N 0.46 0.43 -0.36 1.69 4.22 -1.36 -0.27 114.58 119.39 1wi6 h GLU 82 Ca 0.09 -0.13 -0.16 0.00 0.08 0.00 0.00 59.36 59.24 1wi6 h GLU 82 Cb 0.45 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1wi6 h GLU 82 CO 0.02 0.59 -0.39 -0.39 -2.18 0.00 0.00 179.01 176.66 1wi6 h VAL 83 N 0.21 1.27 -0.14 0.32 -1.51 -1.39 -1.56 116.25 113.45 1wi6 h VAL 83 Ca 0.07 -1.57 -0.01 0.00 -1.23 0.00 0.00 66.70 63.96 1wi6 h VAL 83 Cb 0.39 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 1wi6 h VAL 83 CO 0.01 0.52 0.05 0.45 -1.23 0.00 0.00 177.57 177.37 1wi6 h HIS 84 N 0.71 0.22 -0.56 5.19 3.86 -0.97 -1.45 115.15 122.16 1wi6 h HIS 84 Ca 0.05 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 1wi6 h HIS 84 Cb 0.99 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 1wi6 h HIS 84 CO 0.07 0.32 0.09 0.22 0.86 0.00 0.00 177.93 179.49 1wi6 h ASP 85 N 0.07 0.85 -0.66 2.45 3.58 -1.06 0.68 116.42 122.33 1wi6 h ASP 85 Ca 0.05 -0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.27 1wi6 h ASP 85 Cb 0.19 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 1wi6 h ASP 85 CO -0.00 0.86 0.24 0.25 -2.88 0.00 0.00 179.24 177.70 1wi6 h LEU 86 N 0.85 0.94 -3.53 2.28 5.85 -1.10 -3.03 115.31 117.57 1wi6 h LEU 86 Ca 0.18 -0.19 -0.34 0.00 0.84 0.00 0.00 57.88 58.37 1wi6 h LEU 86 Cb 0.37 -0.24 -0.22 0.00 0.37 0.00 0.00 40.66 40.94 1wi6 h LEU 86 CO 0.01 0.87 -0.24 0.18 -0.34 0.00 0.00 178.44 178.92 1wi6 n LEU 87 N -4.37 4.70 -0.03 2.25 4.77 -0.56 -4.71 117.00 119.05 1wi6 n LEU 87 Ca 0.05 -4.17 -0.14 0.00 -0.03 0.00 0.00 56.01 51.71 1wi6 n LEU 87 Cb 0.19 -0.58 -0.11 0.00 -2.33 0.00 0.00 43.42 40.60 1wi6 n LEU 87 CO 0.40 1.58 0.49 0.77 -1.33 0.00 0.00 177.39 179.30 1wi6 h SER 88 N 1.50 0.15 -1.23 -1.43 4.64 0.51 -3.23 113.55 114.46 1wi6 h SER 88 Ca 0.30 -0.69 0.44 0.00 -0.47 0.00 0.00 61.79 61.37 1wi6 h SER 88 Cb 1.45 -0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 63.34 1wi6 h SER 88 CO 0.62 0.82 0.75 0.44 -0.87 0.00 0.00 176.83 178.59 1wi6 h ASP 89 N -0.51 0.27 -2.26 4.97 5.19 -1.83 -3.40 116.42 118.84 1wi6 h ASP 89 Ca -0.01 0.19 -0.45 0.00 -0.62 0.00 0.00 57.03 56.13 1wi6 h ASP 89 Cb 0.82 0.19 0.06 0.00 0.18 0.00 0.00 39.33 40.58 1wi6 h ASP 89 CO 0.03 -0.29 0.02 -0.31 -3.12 0.00 0.00 179.24 175.57 1wi6 s TYR 90 N -5.38 2.24 -0.50 4.55 1.51 -1.22 -5.04 117.35 113.51 1wi6 s TYR 90 Ca -0.08 -0.16 -0.24 0.00 -1.01 0.00 0.00 57.07 55.58 1wi6 s TYR 90 Cb 0.32 -2.82 0.03 0.00 -0.11 0.00 0.00 41.96 39.38 1wi6 s TYR 90 CO 0.81 -1.24 0.88 -1.21 -1.11 0.00 0.00 175.55 173.68 1wi6 s GLU 91 N -4.92 3.39 -0.89 -0.62 8.01 -1.26 -4.99 118.70 117.42 1wi6 s GLU 91 Ca 0.61 -0.16 -0.25 0.00 0.01 0.00 0.00 54.97 55.19 1wi6 s GLU 91 Cb -0.08 -4.00 0.04 0.00 -4.31 0.00 0.00 34.13 25.78 1wi6 s GLU 91 CO 0.41 -1.32 1.40 -0.51 0.01 0.00 0.00 175.26 175.26 1wi6 s LEU 92 N 3.67 3.35 0.10 1.80 1.43 -1.26 -3.44 118.68 124.32 1wi6 s LEU 92 Ca 0.31 -0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 52.28 1wi6 s LEU 92 Cb -0.12 -2.56 -0.09 0.00 0.03 0.00 0.00 46.19 43.45 1wi6 s LEU 92 CO 0.21 -1.70 1.43 0.11 0.23 0.00 0.00 176.35 176.63 1wi6 h LYS 93 N 10.05 0.67 -3.64 1.70 6.56 -1.83 -3.44 116.57 126.64 1wi6 h LYS 93 Ca -0.01 -0.34 -0.29 0.00 -1.06 0.00 0.00 60.65 58.95 1wi6 h LYS 93 Cb 1.03 0.01 -0.32 0.00 -0.57 0.00 0.00 32.23 32.37 1wi6 h LYS 93 CO 1.36 0.95 -0.73 -0.47 -2.06 0.00 0.00 179.45 178.49 1wi6 s TYR 94 N -4.41 0.09 -0.11 -1.35 5.04 -1.12 -5.02 117.35 110.47 1wi6 s TYR 94 Ca -0.13 0.07 0.03 0.00 -2.44 0.00 0.00 57.07 54.60 1wi6 s TYR 94 Cb 0.08 -0.21 -0.00 0.00 0.35 0.00 0.00 41.96 42.18 1wi6 s TYR 94 CO 0.82 -0.07 -0.21 0.00 -1.34 0.00 0.00 175.55 174.75 1wi6 s PHE 96 N 0.36 -0.08 -0.18 0.00 5.36 -0.46 -5.02 117.98 117.94 1wi6 s PHE 96 Ca -0.17 0.46 0.01 0.00 -0.96 0.00 0.00 56.93 56.27 1wi6 s PHE 96 Cb -0.17 -0.33 0.03 0.00 -0.34 0.00 0.00 43.02 42.21 1wi6 s PHE 96 CO 0.08 -0.23 -0.16 0.08 -1.46 0.00 0.00 175.22 173.53 1wi6 s VAL 97 N 2.13 1.88 -0.36 3.12 1.01 -1.26 -0.92 120.40 125.99 1wi6 s VAL 97 Ca 0.03 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1wi6 s VAL 97 Cb -0.12 -1.78 0.10 0.00 0.00 0.00 0.00 36.38 34.58 1wi6 s VAL 97 CO -0.05 0.41 0.10 -0.62 0.00 0.00 0.00 175.10 174.94 1wi6 s ASP 98 N 1.34 4.95 0.02 3.32 -1.08 -0.46 -4.96 116.67 119.80 1wi6 s ASP 98 Ca 0.03 -2.04 -0.19 0.00 -0.52 0.00 0.00 52.55 49.83 1wi6 s ASP 98 Cb -0.14 -1.71 -0.21 0.00 -1.46 0.00 0.00 42.92 39.40 1wi6 s ASP 98 CO -0.11 -0.43 1.15 0.07 0.52 0.00 0.00 175.17 176.37 1wi6 h LYS 99 N 7.80 0.44 -0.21 4.34 2.10 -1.93 -0.73 116.57 128.38 1wi6 h LYS 99 Ca -0.09 -0.41 0.02 0.00 -2.00 0.00 0.00 60.65 58.17 1wi6 h LYS 99 Cb 1.03 0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 32.44 1wi6 h LYS 99 CO 0.59 1.06 -0.13 0.66 -2.00 0.00 0.00 179.45 179.63 1wi6 n TYR 100 N -4.25 -0.09 0.01 0.07 4.01 -1.26 -0.39 117.16 115.26 1wi6 n TYR 100 Ca -0.09 0.27 -0.05 0.00 -0.16 0.00 0.00 57.90 57.86 1wi6 n TYR 100 Cb 0.63 -0.46 0.15 0.00 -0.31 0.00 0.00 39.34 39.34 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 0.50 0.00 -0.72 1.79 -2.01 -3.47 116.57 112.65 1wi6 h LYS 101 Ca 0.03 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1wi6 h LYS 101 Cb 0.09 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1wi6 h LYS 101 CO -0.20 0.79 0.00 0.41 -1.08 0.00 0.00 179.45 179.36 1wi6 n GLY 102 N -0.15 1.95 3.22 3.86 0.00 0.48 -4.93 105.19 109.62 1wi6 n GLY 102 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.69 -0.04 2.61 -4.23 -0.32 -2.55 115.64 109.79 1wi6 s THR 103 Ca 0.00 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 1wi6 s THR 103 Cb 0.00 -1.99 0.02 0.00 1.34 0.00 0.00 72.50 71.88 1wi6 s THR 103 CO 0.00 -0.60 -0.04 0.00 -0.54 0.00 0.00 174.62 173.45 1wi6 s ALA 104 N -3.65 0.64 -0.20 3.99 0.00 -1.22 -1.35 121.76 119.97 1wi6 s ALA 104 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 1wi6 s ALA 104 Cb 0.06 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1wi6 s ALA 104 CO 0.01 -0.06 -0.03 -0.06 0.00 0.00 0.00 175.76 175.63 1wi6 s PHE 105 N 1.00 2.98 -0.04 0.00 0.08 -0.10 -3.10 117.98 118.80 1wi6 s PHE 105 Ca -0.10 -0.67 0.02 0.00 0.12 0.00 0.00 56.93 56.30 1wi6 s PHE 105 Cb -0.14 -2.06 0.01 0.00 -0.57 0.00 0.00 43.02 40.26 1wi6 s PHE 105 CO -0.01 -0.36 -0.08 0.08 -0.10 0.00 0.00 175.22 174.76 1wi6 s VAL 106 N 1.11 0.74 -0.34 -0.44 1.01 -1.23 -1.36 120.40 119.89 1wi6 s VAL 106 Ca 0.02 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 1wi6 s VAL 106 Cb -0.15 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.55 1wi6 s VAL 106 CO 0.00 0.25 0.19 -0.89 0.00 0.00 0.00 175.10 174.65 1wi6 s THR 107 N 0.53 4.64 0.89 3.92 2.01 -0.85 -1.76 115.64 125.01 1wi6 s THR 107 Ca -0.08 -0.62 -0.13 0.00 0.31 0.00 0.00 61.69 61.17 1wi6 s THR 107 Cb -0.12 -3.47 0.17 0.00 0.01 0.00 0.00 72.50 69.08 1wi6 s THR 107 CO 0.01 -0.09 1.24 -0.76 -0.69 0.00 0.00 174.62 174.33 1wi6 s LEU 108 N 1.59 2.74 0.07 4.42 1.43 -1.26 -2.79 118.68 124.87 1wi6 s LEU 108 Ca 0.03 0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 53.15 1wi6 s LEU 108 Cb -0.18 -2.41 -0.10 0.00 0.03 0.00 0.00 46.19 43.54 1wi6 s LEU 108 CO 0.07 -2.44 1.36 0.25 0.23 0.00 0.00 176.35 175.81 1wi6 h LEU 109 N -1.35 -1.02 0.00 1.79 5.85 -1.97 -3.42 115.31 115.19 1wi6 h LEU 109 Ca -0.43 0.11 -0.28 0.00 0.84 0.00 0.00 57.88 58.11 1wi6 h LEU 109 Cb 1.25 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 42.59 1wi6 h LEU 109 CO 0.43 -0.36 -0.26 -0.46 -0.34 0.00 0.00 178.44 177.45 1wi6 n ASN 110 N -4.38 0.21 0.24 1.25 6.94 -1.26 -4.79 115.26 113.46 1wi6 n ASN 110 Ca -0.06 -2.20 0.11 0.00 -0.02 0.00 0.00 54.58 52.41 1wi6 n ASN 110 Cb 0.27 0.78 0.58 0.00 -2.36 0.00 0.00 39.78 39.05 1wi6 n ASN 110 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1wi6 h GLY 111 N 1.03 0.00 0.97 4.83 0.00 -1.77 -2.99 103.07 105.13 1wi6 h GLY 111 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1wi6 h GLY 111 CO 0.22 0.00 0.06 0.83 0.00 0.00 0.00 176.54 177.66 1wi6 h GLU 112 N 0.00 0.14 -0.21 4.80 4.39 -1.92 0.15 114.58 121.93 1wi6 h GLU 112 Ca -0.00 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 1wi6 h GLU 112 Cb 0.54 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1wi6 h GLU 112 CO 0.02 0.13 -0.26 1.96 -1.16 0.00 0.00 179.01 179.71 1wi6 h GLN 113 N 0.10 0.40 -0.22 2.33 4.20 -1.95 -2.47 115.11 117.50 1wi6 h GLN 113 Ca 0.04 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1wi6 h GLN 113 Cb 0.03 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1wi6 h GLN 113 CO -0.01 0.63 -0.03 0.00 -0.67 0.00 0.00 178.83 178.75 1wi6 h ALA 114 N 1.37 0.30 -0.29 3.87 0.00 -1.34 -1.70 119.26 121.47 1wi6 h ALA 114 Ca 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1wi6 h ALA 114 Cb 0.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1wi6 h ALA 114 CO 0.05 0.06 0.18 1.49 0.00 0.00 0.00 179.25 181.03 1wi6 h GLU 115 N 0.15 0.40 -0.59 0.00 4.81 -0.87 0.28 114.58 118.75 1wi6 h GLU 115 Ca 0.06 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1wi6 h GLU 115 Cb 0.47 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1wi6 h GLU 115 CO 0.02 0.30 0.38 0.00 -0.73 0.00 0.00 179.01 178.98 1wi6 h ALA 116 N 1.07 0.75 -0.35 2.92 0.00 -1.43 0.32 119.26 122.55 1wi6 h ALA 116 Ca 0.11 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1wi6 h ALA 116 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1wi6 h ALA 116 CO -0.02 0.20 -0.18 0.00 0.00 0.00 0.00 179.25 179.25 1wi6 h ALA 117 N 1.20 0.49 -0.55 0.00 0.00 -1.04 -2.95 119.26 116.40 1wi6 h ALA 117 Ca 0.21 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1wi6 h ALA 117 Cb -0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1wi6 h ALA 117 CO -0.04 0.42 -0.10 0.82 0.00 0.00 0.00 179.25 180.35 1wi6 h ILE 118 N 0.52 1.27 -0.43 0.00 2.04 -0.20 0.32 117.51 121.03 1wi6 h ILE 118 Ca 0.08 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 64.74 1wi6 h ILE 118 Cb 0.72 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 1wi6 h ILE 118 CO 0.05 0.45 0.10 -1.13 0.00 0.00 0.00 178.15 177.62 1wi6 h ASN 119 N 0.93 0.05 0.02 1.72 -0.73 -0.32 0.75 115.58 118.00 1wi6 h ASN 119 Ca 0.14 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.35 1wi6 h ASN 119 Cb 0.67 0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.34 1wi6 h ASN 119 CO 0.05 0.06 -0.13 0.74 -0.37 0.00 0.00 177.43 177.78 1wi6 h THR 120 N 0.24 1.72 -0.15 -3.57 2.02 -1.44 -3.30 112.91 108.45 1wi6 h THR 120 Ca 0.21 -2.29 0.04 0.00 0.77 0.00 0.00 66.41 65.14 1wi6 h THR 120 Cb 0.24 3.27 -0.01 0.00 -1.74 0.00 0.00 68.15 69.91 1wi6 h THR 120 CO -0.25 0.60 0.11 -0.26 0.37 0.00 0.00 175.52 176.09 1wi6 h PHE 121 N -0.85 0.00 -4.30 3.16 0.04 -0.27 -3.41 116.94 111.31 1wi6 h PHE 121 Ca -0.02 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.23 1wi6 h PHE 121 Cb 1.07 0.00 0.12 0.00 2.20 0.00 0.00 35.95 39.33 1wi6 h PHE 121 CO 0.25 0.00 0.34 -1.58 -0.60 0.00 0.00 178.31 176.72 1wi6 s HIS 122 N -5.05 2.71 -0.89 -0.55 5.65 0.26 -3.23 115.29 114.19 1wi6 s HIS 122 Ca -0.05 1.52 0.00 0.00 0.25 0.00 0.00 55.06 56.78 1wi6 s HIS 122 Cb 0.18 -3.02 0.00 0.00 -1.18 0.00 0.00 32.58 28.55 1wi6 s HIS 122 CO 0.69 -1.64 0.00 0.00 -0.65 0.00 0.00 174.74 173.13 1wi6 n GLN 123 N -3.27 -2.18 -3.04 2.88 10.64 -1.26 -4.92 117.38 116.23 1wi6 n GLN 123 Ca 0.09 0.50 -0.17 0.00 -1.83 0.00 0.00 57.00 55.59 1wi6 n GLN 123 Cb 0.53 -5.02 0.01 0.00 -0.86 0.00 0.00 30.24 24.90 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 -1.99 5.58 0.02 2.61 1.04 -1.20 -5.02 113.70 114.74 1wi6 s SER 124 Ca 0.00 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 55.96 1wi6 s SER 124 Cb 0.00 -0.57 -0.01 0.00 0.10 0.00 0.00 66.02 65.54 1wi6 s SER 124 CO 0.00 -0.81 -0.04 -0.13 0.98 0.00 0.00 173.24 173.24 1wi6 s ARG 125 N -4.37 0.30 -0.02 4.02 0.52 -1.26 -2.46 118.95 115.68 1wi6 s ARG 125 Ca 0.55 -0.41 -0.02 0.00 -0.52 0.00 0.00 55.73 55.33 1wi6 s ARG 125 Cb -0.09 -0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.27 1wi6 s ARG 125 CO 0.33 0.02 0.06 -1.17 0.02 0.00 0.00 175.30 174.56 1wi6 s LEU 126 N -0.86 1.79 -1.72 2.53 2.96 -0.68 -4.86 118.68 117.85 1wi6 s LEU 126 Ca -0.07 0.01 -0.22 0.00 -0.22 0.00 0.00 54.13 53.64 1wi6 s LEU 126 Cb -0.06 0.26 0.21 0.00 0.50 0.00 0.00 46.19 47.10 1wi6 s LEU 126 CO -0.00 -0.10 0.57 -2.11 -1.32 0.00 0.00 176.35 173.39 1wi6 n ARG 127 N 2.69 -1.10 -3.23 1.98 1.85 -1.26 0.49 116.66 118.07 1wi6 n ARG 127 Ca -0.15 0.15 -0.15 0.00 -1.00 0.00 0.00 57.85 56.70 1wi6 n ARG 127 Cb 0.59 -4.74 0.08 0.00 -1.05 0.00 0.00 32.46 27.33 1wi6 n ARG 127 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1wi6 n GLU 128 N -3.96 -5.22 -3.78 2.89 1.02 -1.26 -5.03 120.64 105.30 1wi6 n GLU 128 Ca 0.11 0.76 -0.13 0.00 -0.02 0.00 0.00 57.16 57.88 1wi6 n GLU 128 Cb 0.46 -5.47 -0.10 0.00 -0.02 0.00 0.00 31.44 26.31 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 0.54 -0.10 3.49 1.04 0.18 -5.14 118.95 113.92 1wi6 s ARG 129 Ca 0.07 -0.04 -0.30 0.00 -1.04 0.00 0.00 55.73 54.42 1wi6 s ARG 129 Cb -0.01 0.24 -0.01 0.00 -2.04 0.00 0.00 34.95 33.13 1wi6 s ARG 129 CO 0.65 -0.13 1.02 -2.00 -0.04 0.00 0.00 175.30 174.80 1wi6 s GLU 130 N -0.89 4.42 -0.15 3.89 2.56 -1.26 -1.68 118.70 125.59 1wi6 s GLU 130 Ca -0.10 1.41 -0.06 0.00 0.00 0.00 0.00 54.97 56.22 1wi6 s GLU 130 Cb -0.05 -3.54 -0.04 0.00 2.00 0.00 0.00 34.13 32.50 1wi6 s GLU 130 CO 0.03 -0.33 0.05 -0.51 -0.56 0.00 0.00 175.26 173.94 1wi6 s LEU 131 N 2.03 3.78 -0.17 2.70 1.43 -1.03 -4.86 118.68 122.57 1wi6 s LEU 131 Ca 0.49 0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.68 1wi6 s LEU 131 Cb -0.19 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1wi6 s LEU 131 CO 0.18 0.24 -0.07 -0.44 0.23 0.00 0.00 176.35 176.49 1wi6 s SER 132 N -0.05 4.31 -0.03 2.29 0.01 -1.17 -4.25 113.70 114.81 1wi6 s SER 132 Ca 0.06 -0.31 0.03 0.00 1.31 0.00 0.00 55.95 57.05 1wi6 s SER 132 Cb -0.12 -1.70 -0.00 0.00 0.21 0.00 0.00 66.02 64.40 1wi6 s SER 132 CO 0.01 0.09 -0.13 -0.69 0.41 0.00 0.00 173.24 172.93 1wi6 s VAL 133 N 0.81 1.13 0.19 3.43 1.01 -1.26 -0.76 120.40 124.95 1wi6 s VAL 133 Ca -0.03 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1wi6 s VAL 133 Cb -0.15 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1wi6 s VAL 133 CO 0.01 0.34 0.40 0.00 0.00 0.00 0.00 175.10 175.85 1wi6 s GLN 134 N 0.10 1.30 0.25 2.72 -2.07 -0.69 -4.88 119.66 116.39 1wi6 s GLN 134 Ca -0.03 -1.07 -0.30 0.00 -1.82 0.00 0.00 55.36 52.14 1wi6 s GLN 134 Cb -0.10 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 32.17 1wi6 s GLN 134 CO 0.01 -0.51 1.02 -0.51 -1.32 0.00 0.00 175.29 173.98 1wi6 s LEU 135 N -2.94 4.60 0.65 2.60 1.43 -1.26 -0.74 118.68 123.01 1wi6 s LEU 135 Ca 0.15 2.10 -0.17 0.00 -1.03 0.00 0.00 54.13 55.18 1wi6 s LEU 135 Cb 0.01 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 1wi6 s LEU 135 CO 0.00 0.00 0.88 0.00 0.23 0.00 0.00 176.35 177.47 1wi6 n GLN 136 N 1.40 0.67 -2.22 1.70 10.64 -1.24 -4.83 117.38 123.50 1wi6 n GLN 136 Ca -0.01 0.27 -0.41 0.00 -1.83 0.00 0.00 57.00 55.02 1wi6 n GLN 136 Cb 0.46 -2.11 -0.03 0.00 -0.86 0.00 0.00 30.24 27.70 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 -2.89 4.38 0.31 2.61 0.04 -1.26 -4.91 135.00 133.28 1wi6 s PRO 137 Ca 0.74 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.89 1wi6 s PRO 137 Cb -0.39 -3.20 0.86 0.00 0.04 0.00 0.00 34.50 31.81 1wi6 s PRO 137 CO 0.49 -0.27 1.65 0.00 0.04 0.00 0.00 177.00 178.92 1wi6 h THR 138 N 3.80 0.30 -3.24 1.26 1.03 -2.02 -3.36 112.91 110.69 1wi6 h THR 138 Ca -0.44 -0.09 -0.51 0.00 -0.01 0.00 0.00 66.41 65.36 1wi6 h THR 138 Cb 1.21 0.03 -0.38 0.00 -1.07 0.00 0.00 68.15 67.95 1wi6 h THR 138 CO 0.78 0.05 -0.79 -0.62 -0.01 0.00 0.00 175.52 174.93 1wi6 s ASP 139 N -5.02 2.21 -0.33 0.00 2.15 -1.26 -5.01 116.67 109.41 1wi6 s ASP 139 Ca -0.11 -0.36 0.07 0.00 0.43 0.00 0.00 52.55 52.58 1wi6 s ASP 139 Cb 0.28 -0.72 0.50 0.00 -0.30 0.00 0.00 42.92 42.67 1wi6 s ASP 139 CO 0.78 -0.17 1.48 0.00 -0.17 0.00 0.00 175.17 177.09 1wi6 n ALA 140 N 5.00 4.69 -3.95 3.66 0.00 -1.26 -5.01 120.51 123.64 1wi6 n ALA 140 Ca -0.10 -3.31 -0.17 0.00 0.00 0.00 0.00 53.44 49.86 1wi6 n ALA 140 Cb 0.49 -0.78 -0.05 0.00 0.00 0.00 0.00 19.45 19.11 1wi6 n ALA 140 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wi6 n LEU 141 N -1.03 0.00 -4.39 0.00 4.32 -1.26 -5.17 117.00 109.47 1wi6 n LEU 141 Ca 0.39 -2.21 -0.30 0.00 -0.02 0.00 0.00 56.01 53.86 1wi6 n LEU 141 Cb 1.00 1.06 -0.14 0.00 -1.62 0.00 0.00 43.42 43.72 1wi6 n LEU 141 CO 0.29 -0.36 -0.54 -0.76 -1.22 0.00 0.00 177.39 174.81 1wi6 s LEU 142 N 0.00 2.35 0.39 2.23 1.43 -1.26 -5.14 118.68 118.68 1wi6 s LEU 142 Ca 0.25 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1wi6 s LEU 142 Cb 0.01 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 1wi6 s LEU 142 CO 0.17 0.26 0.09 0.00 0.23 0.00 0.00 176.35 177.11 1wi6 s SER 144 N -3.59 0.26 0.08 0.00 0.15 -1.26 -5.04 113.70 104.29 1wi6 s SER 144 Ca 0.26 -0.60 -0.28 0.00 0.70 0.00 0.00 55.95 56.03 1wi6 s SER 144 Cb 0.05 0.18 -0.12 0.00 -1.71 0.00 0.00 66.02 64.41 1wi6 s SER 144 CO 0.14 -0.45 1.44 1.23 1.20 0.00 0.00 173.24 176.80 1wi6 h GLY 145 N 3.93 -1.17 1.89 9.45 0.00 -2.02 -1.57 103.07 113.57 1wi6 h GLY 145 Ca -0.33 0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1wi6 h GLY 145 CO 0.50 -0.32 0.00 -1.55 0.00 0.00 0.00 176.54 175.16 1wi6 n PRO 146 N -4.86 0.05 -1.49 4.80 -0.04 -1.26 -4.69 135.00 127.51 1wi6 n PRO 146 Ca -0.08 0.23 -0.64 0.00 -0.04 0.00 0.00 63.50 62.97 1wi6 n PRO 146 Cb 0.34 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.19 1wi6 n PRO 146 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wi6 n SER 147 N -1.45 0.97 -4.34 3.54 2.88 -0.59 0.60 113.62 115.23 1wi6 n SER 147 Ca 0.04 0.93 -0.37 0.00 -1.33 0.00 0.00 58.87 58.14 1wi6 n SER 147 Cb 0.15 -0.89 -0.08 0.00 -0.75 0.00 0.00 64.21 62.64 1wi6 n SER 147 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wi6 n SER 148 N 5.78 -0.98 0.00 -3.46 3.41 -1.26 -4.94 113.62 112.17 1wi6 n SER 148 Ca 0.43 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 1wi6 n SER 148 Cb -0.05 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.39 1wi6 n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49