#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 -0.40 0.20 1.61 1.04 -1.26 -5.18 113.70 109.71 1wi6 s SER 63 Ca 0.00 0.72 0.09 0.00 0.48 0.00 0.00 55.95 57.23 1wi6 s SER 63 Cb 0.00 0.89 -0.04 0.00 0.10 0.00 0.00 66.02 66.96 1wi6 s SER 63 CO 0.00 -0.12 -0.17 -0.55 0.98 0.00 0.00 173.24 173.38 1wi6 s SER 64 N 0.59 2.76 -0.30 7.02 0.15 -1.26 -5.13 113.70 117.54 1wi6 s SER 64 Ca -0.01 -0.95 -0.10 0.00 0.70 0.00 0.00 55.95 55.60 1wi6 s SER 64 Cb -0.04 -0.17 0.19 0.00 -1.71 0.00 0.00 66.02 64.28 1wi6 s SER 64 CO -0.10 -0.08 1.00 -0.83 1.20 0.00 0.00 173.24 174.43 1wi6 s GLY 65 N -3.04 -0.98 -0.09 9.45 0.00 -1.26 -5.07 107.32 106.34 1wi6 s GLY 65 Ca 0.20 1.99 -0.30 0.00 0.00 0.00 0.00 44.72 46.62 1wi6 s GLY 65 CO 0.08 4.07 1.43 -0.45 0.00 0.00 0.00 173.10 178.23 1wi6 s SER 66 N 2.93 6.83 0.28 1.64 0.15 -1.26 -3.70 113.70 120.56 1wi6 s SER 66 Ca 0.26 1.98 0.04 0.00 0.70 0.00 0.00 55.95 58.92 1wi6 s SER 66 Cb -0.02 -2.54 0.40 0.00 -1.71 0.00 0.00 66.02 62.14 1wi6 s SER 66 CO -0.23 -0.81 1.69 0.77 1.20 0.00 0.00 173.24 175.86 1wi6 h SER 67 N 8.59 0.39 -4.16 5.45 4.64 -1.87 -3.44 113.55 123.15 1wi6 h SER 67 Ca -0.34 -0.15 -0.51 0.00 -0.47 0.00 0.00 61.79 60.32 1wi6 h SER 67 Cb 1.15 -0.11 0.10 0.00 -0.31 0.00 0.00 62.40 63.23 1wi6 h SER 67 CO 0.95 0.72 0.40 -0.83 -0.87 0.00 0.00 176.83 177.20 1wi6 s GLY 68 N -4.11 2.35 0.18 -0.77 0.00 -1.26 -2.75 107.32 100.96 1wi6 s GLY 68 Ca -0.06 0.70 0.05 0.00 0.00 0.00 0.00 44.72 45.42 1wi6 s GLY 68 CO 0.79 1.07 -0.10 -0.26 0.00 0.00 0.00 173.10 174.60 1wi6 s ILE 69 N -2.08 1.34 -0.06 0.90 -5.25 0.15 -2.60 121.20 113.60 1wi6 s ILE 69 Ca 0.70 -2.11 -0.01 0.00 -0.99 0.00 0.00 60.65 58.25 1wi6 s ILE 69 Cb -0.23 -2.00 0.03 0.00 2.95 0.00 0.00 42.46 43.20 1wi6 s ILE 69 CO 0.38 -0.62 0.01 -0.22 -1.79 0.00 0.00 174.94 172.70 1wi6 s LEU 70 N -3.24 0.59 -0.02 0.37 2.96 -0.06 -3.26 118.68 116.03 1wi6 s LEU 70 Ca 0.21 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1wi6 s LEU 70 Cb 0.02 -0.35 -0.03 0.00 0.50 0.00 0.00 46.19 46.33 1wi6 s LEU 70 CO 0.04 -0.19 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.18 1wi6 s ILE 71 N 1.86 3.66 -0.06 6.68 1.01 -1.13 -1.51 121.20 131.72 1wi6 s ILE 71 Ca 0.03 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.02 1wi6 s ILE 71 Cb -0.12 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1wi6 s ILE 71 CO -0.04 0.45 -0.16 -0.13 0.00 0.00 0.00 174.94 175.06 1wi6 s ARG 72 N -1.25 1.84 0.00 2.79 0.52 0.47 -3.43 118.95 119.89 1wi6 s ARG 72 Ca 0.16 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 1wi6 s ARG 72 Cb -0.11 -1.55 0.00 0.00 0.52 0.00 0.00 34.95 33.81 1wi6 s ARG 72 CO 0.06 0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.95 1wi6 n GLY 73 N 3.41 -0.32 3.57 -3.53 0.00 -1.07 -2.62 105.19 104.63 1wi6 n GLY 73 Ca -0.20 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.42 3.01 0.89 0.99 1.43 -1.14 -4.88 118.68 118.57 1wi6 s LEU 74 Ca 0.00 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 1wi6 s LEU 74 Cb 0.00 -1.80 0.13 0.00 0.03 0.00 0.00 46.19 44.54 1wi6 s LEU 74 CO 0.00 0.17 1.09 -2.16 0.23 0.00 0.00 176.35 175.68 1wi6 s PRO 75 N -2.25 1.28 0.00 1.29 0.04 -1.26 -4.92 135.00 129.19 1wi6 s PRO 75 Ca 0.21 0.83 0.18 0.00 0.04 0.00 0.00 61.00 62.26 1wi6 s PRO 75 Cb -0.11 -1.81 0.93 0.00 0.04 0.00 0.00 34.50 33.55 1wi6 s PRO 75 CO 0.14 -2.22 1.55 0.41 0.04 0.00 0.00 177.00 176.91 1wi6 n GLY 76 N -1.13 -0.88 0.22 0.56 0.00 -1.26 -2.27 105.19 100.43 1wi6 n GLY 76 Ca 0.07 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.28 2.59 -4.63 1.61 8.00 -1.26 -5.02 116.55 116.57 1wi6 n ASP 77 Ca 0.09 -2.93 -0.43 0.00 0.71 0.00 0.00 54.79 52.23 1wi6 n ASP 77 Cb 0.14 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 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 -2.62 3.55 0.32 2.53 0.11 -0.96 -4.99 120.40 118.34 1wi6 s VAL 78 Ca 0.30 0.61 0.10 0.00 -2.93 0.00 0.00 61.98 60.07 1wi6 s VAL 78 Cb 0.26 -3.58 -0.06 0.00 -1.53 0.00 0.00 36.38 31.47 1wi6 s VAL 78 CO 0.04 -0.26 -0.11 0.28 -3.33 0.00 0.00 175.10 171.72 1wi6 s THR 79 N 5.63 2.39 0.40 5.04 -1.32 -1.26 -4.91 115.64 121.61 1wi6 s THR 79 Ca 0.76 -2.23 0.13 0.00 -1.21 0.00 0.00 61.69 59.15 1wi6 s THR 79 Cb -0.27 -2.57 0.34 0.00 -1.51 0.00 0.00 72.50 68.50 1wi6 s THR 79 CO 0.31 -0.26 1.90 -0.55 -2.21 0.00 0.00 174.62 173.81 1wi6 h ASN 80 N 2.06 0.49 -0.63 8.08 -1.07 -1.96 0.45 115.58 123.00 1wi6 h ASN 80 Ca -0.42 0.03 0.00 0.00 0.07 0.00 0.00 56.30 55.99 1wi6 h ASN 80 Cb 1.25 -0.07 -0.03 0.00 -2.07 0.00 0.00 38.32 37.40 1wi6 h ASN 80 CO 0.67 0.25 0.41 -0.61 0.07 0.00 0.00 177.43 178.21 1wi6 h GLN 81 N 0.51 0.83 -0.40 4.14 5.75 -1.98 0.27 115.11 124.23 1wi6 h GLN 81 Ca 0.40 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.82 1wi6 h GLN 81 Cb 0.81 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 1wi6 h GLN 81 CO -0.15 0.56 0.13 1.49 -2.65 0.00 0.00 178.83 178.20 1wi6 h GLU 82 N 0.86 0.62 -0.37 1.69 4.57 -1.30 -0.62 114.58 120.02 1wi6 h GLU 82 Ca 0.23 -0.13 -0.16 0.00 -1.18 0.00 0.00 59.36 58.11 1wi6 h GLU 82 Cb -0.09 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1wi6 h GLU 82 CO -0.05 0.62 -0.41 0.28 -1.18 0.00 0.00 179.01 178.27 1wi6 h VAL 83 N 0.50 1.27 -0.17 0.32 2.07 -1.33 -2.22 116.25 116.69 1wi6 h VAL 83 Ca 0.13 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 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 0.08 0.45 0.02 0.00 0.00 177.57 178.64 1wi6 h HIS 84 N 0.76 0.25 -0.63 1.57 3.86 -0.84 -1.62 115.15 118.50 1wi6 h HIS 84 Ca 0.06 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1wi6 h HIS 84 Cb 1.01 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.37 1wi6 h HIS 84 CO 0.06 0.28 0.26 0.22 0.86 0.00 0.00 177.93 179.61 1wi6 h ASP 85 N 0.14 0.83 -0.62 2.45 3.58 -1.12 0.41 116.42 122.09 1wi6 h ASP 85 Ca 0.06 -0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.33 1wi6 h ASP 85 Cb 0.13 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 1wi6 h ASP 85 CO -0.01 0.74 0.13 0.25 -2.88 0.00 0.00 179.24 177.47 1wi6 h LEU 86 N 0.90 0.98 -3.56 2.28 5.85 -1.13 -2.98 115.31 117.65 1wi6 h LEU 86 Ca 0.21 -0.21 -0.36 0.00 0.84 0.00 0.00 57.88 58.36 1wi6 h LEU 86 Cb 0.16 -0.26 -0.23 0.00 0.37 0.00 0.00 40.66 40.71 1wi6 h LEU 86 CO -0.02 0.96 -0.15 0.18 -0.34 0.00 0.00 178.44 179.07 1wi6 n LEU 87 N -4.23 4.90 -0.58 2.25 4.77 -0.63 -4.67 117.00 118.80 1wi6 n LEU 87 Ca 0.05 -4.14 0.01 0.00 -0.03 0.00 0.00 56.01 51.90 1wi6 n LEU 87 Cb 0.26 -0.61 0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1wi6 n LEU 87 CO 0.42 1.54 0.39 -0.24 -1.33 0.00 0.00 177.39 178.17 1wi6 n SER 88 N -0.98 1.41 -0.03 -1.43 2.88 0.14 -3.19 113.62 112.42 1wi6 n SER 88 Ca 0.41 -2.10 0.02 0.00 -1.33 0.00 0.00 58.87 55.87 1wi6 n SER 88 Cb 0.96 -0.42 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.02 2.02 -4.93 -3.46 8.00 -1.26 -5.03 116.55 111.91 1wi6 n ASP 89 Ca 0.04 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.29 1wi6 n ASP 89 Cb 0.31 1.30 0.01 0.00 -0.02 0.00 0.00 41.12 42.72 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 -2.68 1.62 -0.51 1.24 1.51 -1.19 -5.07 117.35 112.27 1wi6 s TYR 90 Ca -0.05 -0.80 -0.25 0.00 -1.01 0.00 0.00 57.07 54.96 1wi6 s TYR 90 Cb 0.07 -1.99 0.03 0.00 -0.11 0.00 0.00 41.96 39.96 1wi6 s TYR 90 CO 0.52 -0.62 0.94 -1.21 -1.11 0.00 0.00 175.55 174.07 1wi6 s GLU 91 N -4.36 3.43 -0.84 -0.62 8.01 -1.26 -4.99 118.70 118.07 1wi6 s GLU 91 Ca 0.41 -0.05 -0.22 0.00 0.01 0.00 0.00 54.97 55.12 1wi6 s GLU 91 Cb -0.03 -3.99 0.09 0.00 -4.31 0.00 0.00 34.13 25.88 1wi6 s GLU 91 CO 0.26 -1.36 1.15 -0.51 0.01 0.00 0.00 175.26 174.80 1wi6 s LEU 92 N 3.87 4.36 0.20 1.80 1.43 -1.26 -3.01 118.68 126.06 1wi6 s LEU 92 Ca 0.34 -1.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.00 1wi6 s LEU 92 Cb -0.11 -2.45 0.13 0.00 0.03 0.00 0.00 46.19 43.78 1wi6 s LEU 92 CO 0.23 -1.35 1.50 0.11 0.23 0.00 0.00 176.35 177.06 1wi6 h LYS 93 N 9.38 0.44 -2.83 1.70 1.79 -1.81 -3.45 116.57 121.79 1wi6 h LYS 93 Ca -0.03 -0.30 -0.15 0.00 -2.18 0.00 0.00 60.65 57.99 1wi6 h LYS 93 Cb 1.04 0.05 -0.27 0.00 -1.58 0.00 0.00 32.23 31.46 1wi6 h LYS 93 CO 1.21 0.92 -0.36 -0.47 -1.08 0.00 0.00 179.45 179.66 1wi6 s TYR 94 N -3.83 -0.46 -0.11 -1.35 5.04 -1.15 -5.04 117.35 110.45 1wi6 s TYR 94 Ca -0.06 1.04 0.03 0.00 -2.44 0.00 0.00 57.07 55.64 1wi6 s TYR 94 Cb 0.11 0.17 -0.00 0.00 0.35 0.00 0.00 41.96 42.58 1wi6 s TYR 94 CO 0.83 -0.27 -0.22 0.00 -1.34 0.00 0.00 175.55 174.55 1wi6 s PHE 96 N 0.38 -0.05 -0.12 0.00 5.36 -0.81 -5.04 117.98 117.69 1wi6 s PHE 96 Ca -0.17 0.32 0.00 0.00 -0.96 0.00 0.00 56.93 56.13 1wi6 s PHE 96 Cb -0.17 -0.24 0.02 0.00 -0.34 0.00 0.00 43.02 42.28 1wi6 s PHE 96 CO 0.08 -0.16 -0.11 0.08 -1.46 0.00 0.00 175.22 173.65 1wi6 s VAL 97 N 1.49 1.28 -0.47 3.12 1.01 -1.26 -1.41 120.40 124.15 1wi6 s VAL 97 Ca -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1wi6 s VAL 97 Cb -0.12 -1.24 0.13 0.00 0.00 0.00 0.00 36.38 35.14 1wi6 s VAL 97 CO -0.04 0.41 0.24 -0.62 0.00 0.00 0.00 175.10 175.09 1wi6 s ASP 98 N 1.52 4.95 0.32 3.32 2.15 -0.48 -4.94 116.67 123.50 1wi6 s ASP 98 Ca 0.03 -2.47 0.06 0.00 0.43 0.00 0.00 52.55 50.60 1wi6 s ASP 98 Cb -0.13 -1.75 0.53 0.00 -0.30 0.00 0.00 42.92 41.27 1wi6 s ASP 98 CO -0.08 -0.40 1.77 0.07 -0.17 0.00 0.00 175.17 176.36 1wi6 h LYS 99 N 7.37 0.32 0.13 4.34 2.10 -1.91 -1.56 116.57 127.37 1wi6 h LYS 99 Ca -0.07 -0.12 0.02 0.00 -2.00 0.00 0.00 60.65 58.48 1wi6 h LYS 99 Cb 0.98 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 32.26 1wi6 h LYS 99 CO 0.66 0.57 -0.28 1.88 -2.00 0.00 0.00 179.45 180.29 1wi6 h TYR 100 N 0.29 -0.75 -0.04 0.07 0.05 -1.92 -0.31 116.97 114.37 1wi6 h TYR 100 Ca 0.04 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1wi6 h TYR 100 Cb 0.64 0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.69 1wi6 h TYR 100 CO 0.01 -0.38 0.00 1.63 -1.05 0.00 0.00 178.16 178.37 1wi6 n LYS 101 N -5.39 1.10 -2.50 4.88 4.76 -1.19 -4.86 118.16 114.95 1wi6 n LYS 101 Ca -0.07 -0.15 -0.12 0.00 -2.87 0.00 0.00 58.31 55.10 1wi6 n LYS 101 Cb 0.30 -1.04 -0.01 0.00 -1.84 0.00 0.00 35.03 32.44 1wi6 n LYS 101 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wi6 n GLY 102 N 0.56 -0.50 3.16 0.72 0.00 -0.13 -4.88 105.19 104.12 1wi6 n GLY 102 Ca 0.01 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.61 0.12 -0.04 2.61 -4.23 -0.61 -2.60 115.64 108.28 1wi6 s THR 103 Ca 0.03 -1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 58.60 1wi6 s THR 103 Cb -0.01 -2.11 0.03 0.00 1.34 0.00 0.00 72.50 71.75 1wi6 s THR 103 CO 0.03 -0.40 0.08 0.00 -0.54 0.00 0.00 174.62 173.79 1wi6 s ALA 104 N -4.04 -0.07 -0.17 3.99 0.00 -1.22 -1.39 121.76 118.86 1wi6 s ALA 104 Ca 0.26 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 1wi6 s ALA 104 Cb 0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1wi6 s ALA 104 CO 0.03 -0.15 -0.04 -0.06 0.00 0.00 0.00 175.76 175.54 1wi6 s PHE 105 N 1.16 2.98 -0.02 0.00 0.40 -0.50 -2.83 117.98 119.17 1wi6 s PHE 105 Ca -0.09 -0.52 0.04 0.00 -0.60 0.00 0.00 56.93 55.77 1wi6 s PHE 105 Cb -0.12 -2.00 -0.01 0.00 0.51 0.00 0.00 43.02 41.40 1wi6 s PHE 105 CO -0.04 -0.21 -0.14 0.08 0.70 0.00 0.00 175.22 175.60 1wi6 s VAL 106 N 0.74 1.13 -0.31 -0.44 1.01 -1.20 -1.92 120.40 119.40 1wi6 s VAL 106 Ca -0.02 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 1wi6 s VAL 106 Cb -0.15 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1wi6 s VAL 106 CO 0.02 0.33 0.10 -0.89 0.00 0.00 0.00 175.10 174.66 1wi6 s THR 107 N -0.16 3.99 0.87 3.92 2.01 -0.75 -0.68 115.64 124.83 1wi6 s THR 107 Ca 0.02 -0.82 -0.10 0.00 0.31 0.00 0.00 61.69 61.10 1wi6 s THR 107 Cb -0.07 -3.13 0.19 0.00 0.01 0.00 0.00 72.50 69.50 1wi6 s THR 107 CO 0.00 -0.02 1.19 0.18 -0.69 0.00 0.00 174.62 175.28 1wi6 n LEU 108 N 4.87 0.00 0.09 4.42 4.77 -1.11 -2.84 117.00 127.20 1wi6 n LEU 108 Ca -0.14 -1.72 -0.04 0.00 -0.03 0.00 0.00 56.01 54.09 1wi6 n LEU 108 Cb 0.47 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1wi6 n LEU 108 CO 0.32 -1.25 0.39 0.25 -1.33 0.00 0.00 177.39 175.77 1wi6 h LEU 109 N 0.00 -0.20 0.00 2.23 5.85 -1.86 -3.44 115.31 117.89 1wi6 h LEU 109 Ca -0.39 0.01 -0.54 0.00 0.84 0.00 0.00 57.88 57.80 1wi6 h LEU 109 Cb 1.19 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.17 1wi6 h LEU 109 CO 0.32 -0.12 -0.39 -0.46 -0.34 0.00 0.00 178.44 177.45 1wi6 n ASN 110 N -2.78 3.08 0.20 1.25 0.23 -1.26 -4.92 115.26 111.05 1wi6 n ASN 110 Ca -0.03 -2.83 0.07 0.00 -0.53 0.00 0.00 54.58 51.26 1wi6 n ASN 110 Cb 0.09 0.31 0.33 0.00 -2.08 0.00 0.00 39.78 38.43 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 1.00 4.83 0.00 -1.84 -3.18 103.07 104.89 1wi6 h GLY 111 Ca -0.34 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1wi6 h GLY 111 CO 0.57 0.00 0.40 0.83 0.00 0.00 0.00 176.54 178.34 1wi6 h GLU 112 N 0.00 0.91 -0.11 4.80 5.08 -1.92 -1.61 114.58 121.73 1wi6 h GLU 112 Ca -0.00 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1wi6 h GLU 112 Cb 0.93 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1wi6 h GLU 112 CO 0.04 0.65 -0.40 1.96 -1.00 0.00 0.00 179.01 180.26 1wi6 h GLN 113 N 0.90 0.24 -0.23 2.33 4.20 -1.95 -2.63 115.11 117.98 1wi6 h GLN 113 Ca 0.24 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 1wi6 h GLN 113 Cb -0.02 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1wi6 h GLN 113 CO -0.04 0.61 -0.00 0.00 -0.67 0.00 0.00 178.83 178.73 1wi6 h ALA 114 N 1.38 0.31 -0.34 3.87 0.00 -1.43 -1.32 119.26 121.73 1wi6 h ALA 114 Ca 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1wi6 h ALA 114 Cb 0.80 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1wi6 h ALA 114 CO 0.06 0.03 0.18 1.49 0.00 0.00 0.00 179.25 181.02 1wi6 h GLU 115 N 0.17 0.47 -0.40 0.00 4.81 -1.24 0.12 114.58 118.51 1wi6 h GLU 115 Ca 0.06 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1wi6 h GLU 115 Cb 0.41 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1wi6 h GLU 115 CO 0.01 0.40 0.24 0.00 -0.73 0.00 0.00 179.01 178.93 1wi6 h ALA 116 N 1.05 0.51 -0.47 2.92 0.00 -1.44 0.34 119.26 122.16 1wi6 h ALA 116 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1wi6 h ALA 116 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1wi6 h ALA 116 CO -0.02 0.01 0.06 0.00 0.00 0.00 0.00 179.25 179.30 1wi6 h ALA 117 N 1.10 0.62 -0.50 0.00 0.00 -1.05 -2.60 119.26 116.82 1wi6 h ALA 117 Ca 0.14 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1wi6 h ALA 117 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1wi6 h ALA 117 CO -0.03 0.36 -0.17 0.82 0.00 0.00 0.00 179.25 180.23 1wi6 h ILE 118 N 0.64 1.27 -0.64 0.00 2.04 -0.54 0.26 117.51 120.54 1wi6 h ILE 118 Ca 0.14 -1.34 0.05 0.00 1.00 0.00 0.00 64.86 64.72 1wi6 h ILE 118 Cb 0.41 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1wi6 h ILE 118 CO 0.01 0.47 0.36 -1.13 0.00 0.00 0.00 178.15 177.86 1wi6 h ASN 119 N 0.87 0.54 0.02 1.72 -0.73 -0.22 0.84 115.58 118.62 1wi6 h ASN 119 Ca 0.12 0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.28 1wi6 h ASN 119 Cb 0.75 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.27 1wi6 h ASN 119 CO 0.06 0.35 -0.14 0.74 -0.37 0.00 0.00 177.43 178.07 1wi6 h THR 120 N 0.67 1.73 0.00 -3.57 2.02 -1.38 -3.30 112.91 109.09 1wi6 h THR 120 Ca 0.28 -2.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.11 1wi6 h THR 120 Cb 0.16 3.32 -0.00 0.00 -1.74 0.00 0.00 68.15 69.88 1wi6 h THR 120 CO -0.17 0.62 -0.07 -0.26 0.37 0.00 0.00 175.52 176.01 1wi6 h PHE 121 N -0.87 0.00 -3.99 3.16 0.04 -0.38 -3.41 116.94 111.48 1wi6 h PHE 121 Ca -0.02 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.28 1wi6 h PHE 121 Cb 1.10 0.00 0.15 0.00 2.20 0.00 0.00 35.95 39.40 1wi6 h PHE 121 CO 0.26 0.07 0.23 -1.58 -0.60 0.00 0.00 178.31 176.69 1wi6 s HIS 122 N -4.68 2.23 -0.37 -0.55 5.65 0.29 -3.23 115.29 114.64 1wi6 s HIS 122 Ca -0.04 1.11 0.00 0.00 0.25 0.00 0.00 55.06 56.37 1wi6 s HIS 122 Cb 0.15 -3.22 0.00 0.00 -1.18 0.00 0.00 32.58 28.34 1wi6 s HIS 122 CO 0.63 -2.62 0.00 0.00 -0.65 0.00 0.00 174.74 172.10 1wi6 n GLN 123 N -4.01 -1.92 -2.67 2.88 10.64 -1.26 -4.88 117.38 116.16 1wi6 n GLN 123 Ca 0.06 0.21 -0.21 0.00 -1.83 0.00 0.00 57.00 55.23 1wi6 n GLN 123 Cb 0.56 -4.51 0.04 0.00 -0.86 0.00 0.00 30.24 25.47 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 -1.67 5.27 -0.01 2.61 1.04 -1.20 -4.98 113.70 114.76 1wi6 s SER 124 Ca 0.00 -0.07 -0.03 0.00 0.48 0.00 0.00 55.95 56.32 1wi6 s SER 124 Cb 0.00 -0.80 -0.00 0.00 0.10 0.00 0.00 66.02 65.31 1wi6 s SER 124 CO 0.00 -1.14 0.07 -0.13 0.98 0.00 0.00 173.24 173.02 1wi6 s ARG 125 N -4.74 0.28 0.02 4.02 0.52 -1.26 -1.62 118.95 116.16 1wi6 s ARG 125 Ca 0.58 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.55 1wi6 s ARG 125 Cb -0.10 0.11 -0.02 0.00 0.52 0.00 0.00 34.95 35.47 1wi6 s ARG 125 CO 0.38 -0.05 -0.03 -1.17 0.02 0.00 0.00 175.30 174.45 1wi6 s LEU 126 N -0.81 2.18 -1.22 2.53 2.96 -0.09 -4.84 118.68 119.38 1wi6 s LEU 126 Ca -0.09 -0.37 -0.16 0.00 -0.22 0.00 0.00 54.13 53.29 1wi6 s LEU 126 Cb -0.05 0.04 0.16 0.00 0.50 0.00 0.00 46.19 46.83 1wi6 s LEU 126 CO 0.00 -0.21 0.39 0.54 -1.32 0.00 0.00 176.35 175.75 1wi6 n ARG 127 N 1.98 -1.41 -3.04 1.98 1.74 -1.26 0.16 116.66 116.81 1wi6 n ARG 127 Ca -0.21 0.09 -0.13 0.00 -0.77 0.00 0.00 57.85 56.84 1wi6 n ARG 127 Cb 0.56 -4.41 0.06 0.00 -1.02 0.00 0.00 32.46 27.65 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 -3.40 -4.65 -3.93 5.56 -0.58 -1.26 -5.04 120.64 107.35 1wi6 n GLU 128 Ca 0.08 0.54 -0.10 0.00 -0.42 0.00 0.00 57.16 57.26 1wi6 n GLU 128 Cb 0.44 -4.68 -0.10 0.00 -0.57 0.00 0.00 31.44 26.53 1wi6 n GLU 128 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1wi6 s ARG 129 N -5.28 0.48 -0.18 3.49 1.04 0.43 -5.13 118.95 113.80 1wi6 s ARG 129 Ca 0.16 -0.61 -0.25 0.00 -1.04 0.00 0.00 55.73 53.98 1wi6 s ARG 129 Cb -0.07 0.19 -0.01 0.00 -2.04 0.00 0.00 34.95 33.02 1wi6 s ARG 129 CO 0.47 -0.11 0.84 -2.00 -0.04 0.00 0.00 175.30 174.46 1wi6 s GLU 130 N -1.93 4.29 -0.20 3.89 2.12 -1.26 -0.92 118.70 124.69 1wi6 s GLU 130 Ca -0.11 1.03 -0.10 0.00 0.36 0.00 0.00 54.97 56.15 1wi6 s GLU 130 Cb -0.05 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.71 1wi6 s GLU 130 CO -0.02 -0.35 0.12 -0.51 -0.54 0.00 0.00 175.26 173.96 1wi6 s LEU 131 N 2.23 4.17 -0.19 2.70 1.43 -0.64 -4.89 118.68 123.49 1wi6 s LEU 131 Ca 0.38 0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.63 1wi6 s LEU 131 Cb -0.16 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1wi6 s LEU 131 CO 0.12 0.18 0.05 -0.44 0.23 0.00 0.00 176.35 176.49 1wi6 s SER 132 N 0.34 5.39 -0.03 2.29 0.01 -1.08 -4.07 113.70 116.55 1wi6 s SER 132 Ca 0.08 -0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.35 1wi6 s SER 132 Cb -0.11 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.19 1wi6 s SER 132 CO -0.02 0.13 -0.13 -0.69 0.41 0.00 0.00 173.24 172.95 1wi6 s VAL 133 N 0.64 1.08 0.20 3.43 1.01 -1.26 -0.40 120.40 125.09 1wi6 s VAL 133 Ca 0.02 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1wi6 s VAL 133 Cb -0.13 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 1wi6 s VAL 133 CO 0.02 0.32 0.37 0.00 0.00 0.00 0.00 175.10 175.81 1wi6 s GLN 134 N 0.15 1.31 0.42 2.72 -2.07 -0.57 -4.87 119.66 116.75 1wi6 s GLN 134 Ca -0.04 -1.18 -0.24 0.00 -1.82 0.00 0.00 55.36 52.08 1wi6 s GLN 134 Cb -0.10 0.42 -0.08 0.00 -1.09 0.00 0.00 33.01 32.16 1wi6 s GLN 134 CO 0.01 -0.51 1.18 -0.51 -1.32 0.00 0.00 175.29 174.15 1wi6 s LEU 135 N -2.98 4.13 0.16 2.60 1.43 -1.26 -0.88 118.68 121.88 1wi6 s LEU 135 Ca 0.19 2.37 -0.30 0.00 -1.03 0.00 0.00 54.13 55.36 1wi6 s LEU 135 Cb 0.02 -4.09 -0.07 0.00 0.03 0.00 0.00 46.19 42.08 1wi6 s LEU 135 CO 0.03 -0.79 0.95 -1.58 0.23 0.00 0.00 176.35 175.19 1wi6 s GLN 136 N -2.43 4.76 0.69 1.70 0.74 -1.07 -4.68 119.66 119.36 1wi6 s GLN 136 Ca 0.59 1.46 -0.14 0.00 0.05 0.00 0.00 55.36 57.33 1wi6 s GLN 136 Cb -0.31 -3.34 0.01 0.00 1.10 0.00 0.00 33.01 30.47 1wi6 s GLN 136 CO 0.38 0.33 1.11 -1.25 -0.55 0.00 0.00 175.29 175.31 1wi6 s PRO 137 N -0.45 2.67 0.20 1.67 0.04 -1.26 -4.83 135.00 133.04 1wi6 s PRO 137 Ca 0.45 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 1wi6 s PRO 137 Cb -0.24 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 1wi6 s PRO 137 CO 0.31 -1.34 1.04 0.99 0.04 0.00 0.00 177.00 178.03 1wi6 s THR 138 N -2.47 3.94 -0.68 1.26 2.01 -1.26 -3.78 115.64 114.68 1wi6 s THR 138 Ca 0.66 1.78 -0.01 0.00 0.31 0.00 0.00 61.69 64.43 1wi6 s THR 138 Cb -0.20 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.18 1wi6 s THR 138 CO 0.45 0.35 0.57 -0.67 -0.69 0.00 0.00 174.62 174.63 1wi6 n ASP 139 N 2.00 -2.41 -4.81 3.53 2.03 -1.26 -5.01 116.55 110.62 1wi6 n ASP 139 Ca 0.01 -0.33 -0.37 0.00 0.52 0.00 0.00 54.79 54.61 1wi6 n ASP 139 Cb 0.47 -3.05 -0.06 0.00 -0.72 0.00 0.00 41.12 37.76 1wi6 n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wi6 s ALA 140 N -3.19 3.44 -0.30 -1.67 0.00 -1.25 -5.06 121.76 113.73 1wi6 s ALA 140 Ca 0.05 0.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.04 1wi6 s ALA 140 Cb -0.02 -2.83 0.17 0.00 0.00 0.00 0.00 23.12 20.44 1wi6 s ALA 140 CO 0.40 0.33 1.08 -1.17 0.00 0.00 0.00 175.76 176.40 1wi6 s LEU 141 N -1.72 -0.42 -1.53 0.00 0.20 -1.26 -4.96 118.68 108.99 1wi6 s LEU 141 Ca 0.40 0.59 -0.18 0.00 0.69 0.00 0.00 54.13 55.63 1wi6 s LEU 141 Cb -0.18 1.49 0.17 0.00 -0.43 0.00 0.00 46.19 47.24 1wi6 s LEU 141 CO 0.22 -0.08 0.55 0.18 -0.29 0.00 0.00 176.35 176.93 1wi6 n LEU 142 N 4.71 -1.00 -3.88 -0.68 4.77 -1.26 -4.89 117.00 114.76 1wi6 n LEU 142 Ca -0.09 -0.87 -0.10 0.00 -0.03 0.00 0.00 56.01 54.92 1wi6 n LEU 142 Cb 0.54 -1.69 -0.09 0.00 -2.33 0.00 0.00 43.42 39.85 1wi6 n LEU 142 CO -0.04 0.14 -0.14 0.00 -1.33 0.00 0.00 177.39 176.02 1wi6 s SER 144 N -2.07 -0.48 0.00 0.00 1.04 -1.26 -5.06 113.70 105.88 1wi6 s SER 144 Ca -0.05 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.49 1wi6 s SER 144 Cb -0.01 1.46 0.00 0.00 0.10 0.00 0.00 66.02 67.57 1wi6 s SER 144 CO -0.04 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1wi6 n GLY 145 N 5.23 3.67 0.00 7.32 0.00 -1.26 -4.96 105.19 115.19 1wi6 n GLY 145 Ca -0.11 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.40 1wi6 n GLY 145 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wi6 n PRO 146 N -1.06 0.49 -1.07 1.61 -0.04 -1.26 -4.84 135.00 128.83 1wi6 n PRO 146 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1wi6 n PRO 146 Cb 0.00 -1.42 -0.11 0.00 -0.04 0.00 0.00 33.50 31.94 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 -0.92 0.21 -3.58 3.54 2.88 -1.26 -4.78 113.62 109.72 1wi6 n SER 147 Ca 0.10 0.13 -0.05 0.00 -1.33 0.00 0.00 58.87 57.72 1wi6 n SER 147 Cb 0.04 -0.66 -0.02 0.00 -0.75 0.00 0.00 64.21 62.83 1wi6 n SER 147 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wi6 s SER 148 N 6.40 -0.17 0.00 -3.46 0.15 -1.26 -5.12 113.70 110.23 1wi6 s SER 148 Ca 0.97 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1wi6 s SER 148 Cb -0.90 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1wi6 s SER 148 CO 0.35 -0.31 0.46 0.61 1.20 0.00 0.00 173.24 175.54