#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi6 n SER 63 N 0.00 -1.39 -4.08 1.61 3.41 -1.26 -4.90 113.62 107.01 1wi6 n SER 63 Ca 0.00 -1.22 -0.08 0.00 -0.26 0.00 0.00 58.87 57.31 1wi6 n SER 63 Cb 0.00 -1.79 -0.10 0.00 -0.26 0.00 0.00 64.21 62.06 1wi6 n SER 63 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wi6 s SER 64 N -3.53 0.56 0.00 4.04 1.04 -1.26 -5.00 113.70 109.55 1wi6 s SER 64 Ca 0.63 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1wi6 s SER 64 Cb -0.36 0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1wi6 s SER 64 CO 1.01 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 175.33 1wi6 n GLY 65 N 0.42 0.63 1.89 7.32 0.00 -1.26 -5.06 105.19 109.14 1wi6 n GLY 65 Ca -0.16 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 1wi6 n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wi6 n SER 66 N 0.00 4.75 0.09 1.61 2.88 -1.26 -4.77 113.62 116.93 1wi6 n SER 66 Ca 0.00 -3.77 0.06 0.00 -1.33 0.00 0.00 58.87 53.83 1wi6 n SER 66 Cb 0.00 -0.40 0.30 0.00 -0.75 0.00 0.00 64.21 63.36 1wi6 n SER 66 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wi6 n SER 67 N -0.77 0.28 -4.76 -3.46 3.41 -1.26 -4.52 113.62 102.55 1wi6 n SER 67 Ca 0.43 0.59 -0.34 0.00 -0.26 0.00 0.00 58.87 59.29 1wi6 n SER 67 Cb 0.93 -0.61 0.05 0.00 -0.26 0.00 0.00 64.21 64.32 1wi6 n SER 67 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wi6 s GLY 68 N -3.19 2.30 0.05 5.00 0.00 -1.26 -3.18 107.32 107.04 1wi6 s GLY 68 Ca -0.01 0.70 -0.00 0.00 0.00 0.00 0.00 44.72 45.41 1wi6 s GLY 68 CO 0.10 1.07 -0.04 -0.26 0.00 0.00 0.00 173.10 173.98 1wi6 s ILE 69 N -2.13 0.28 -0.05 0.90 -5.25 -0.98 -1.75 121.20 112.23 1wi6 s ILE 69 Ca 0.70 -1.70 -0.01 0.00 -0.99 0.00 0.00 60.65 58.66 1wi6 s ILE 69 Cb -0.24 -1.36 0.03 0.00 2.95 0.00 0.00 42.46 43.84 1wi6 s ILE 69 CO 0.40 -0.90 0.00 -0.22 -1.79 0.00 0.00 174.94 172.43 1wi6 s LEU 70 N -2.72 0.80 0.01 0.37 2.96 -0.23 -3.71 118.68 116.16 1wi6 s LEU 70 Ca 0.04 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1wi6 s LEU 70 Cb 0.05 -0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.39 1wi6 s LEU 70 CO -0.08 -0.15 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.07 1wi6 s ILE 71 N 1.55 3.42 -0.05 6.68 1.01 -1.17 -2.58 121.20 130.05 1wi6 s ILE 71 Ca -0.02 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1wi6 s ILE 71 Cb -0.13 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.89 1wi6 s ILE 71 CO -0.03 0.40 -0.11 -0.13 0.00 0.00 0.00 174.94 175.07 1wi6 s ARG 72 N -1.36 1.42 0.00 2.79 0.52 -0.97 -3.51 118.95 117.85 1wi6 s ARG 72 Ca 0.16 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1wi6 s ARG 72 Cb -0.11 -1.23 0.00 0.00 0.52 0.00 0.00 34.95 34.13 1wi6 s ARG 72 CO 0.06 0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.86 1wi6 n GLY 73 N 3.63 -0.02 3.75 -3.53 0.00 -1.04 -2.94 105.19 105.04 1wi6 n GLY 73 Ca -0.22 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.47 3.69 0.70 0.99 1.43 -1.05 -4.85 118.68 119.13 1wi6 s LEU 74 Ca 0.00 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.86 1wi6 s LEU 74 Cb 0.00 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.87 1wi6 s LEU 74 CO 0.00 0.14 1.10 -2.16 0.23 0.00 0.00 176.35 175.66 1wi6 s PRO 75 N -2.61 2.61 0.17 1.29 0.04 -1.26 -4.91 135.00 130.34 1wi6 s PRO 75 Ca 0.29 1.31 0.15 0.00 0.04 0.00 0.00 61.00 62.79 1wi6 s PRO 75 Cb -0.11 -1.93 0.72 0.00 0.04 0.00 0.00 34.50 33.22 1wi6 s PRO 75 CO 0.21 -1.39 1.46 0.41 0.04 0.00 0.00 177.00 177.74 1wi6 n GLY 76 N -0.76 -0.88 0.80 0.56 0.00 -1.26 -1.16 105.19 102.49 1wi6 n GLY 76 Ca 0.10 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.93 3.66 -4.62 1.61 8.00 -1.26 -4.99 116.55 117.02 1wi6 n ASP 77 Ca 0.01 -2.91 -0.43 0.00 0.71 0.00 0.00 54.79 52.17 1wi6 n ASP 77 Cb 0.09 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.66 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 3.54 0.33 2.53 0.11 -0.31 -4.99 120.40 118.99 1wi6 s VAL 78 Ca 0.39 0.60 0.10 0.00 -2.93 0.00 0.00 61.98 60.14 1wi6 s VAL 78 Cb 0.31 -3.59 -0.06 0.00 -1.53 0.00 0.00 36.38 31.51 1wi6 s VAL 78 CO 0.09 -0.28 -0.05 0.28 -3.33 0.00 0.00 175.10 171.81 1wi6 s THR 79 N 5.78 2.49 0.50 5.04 -1.32 -1.26 -4.95 115.64 121.92 1wi6 s THR 79 Ca 0.77 -2.11 0.20 0.00 -1.21 0.00 0.00 61.69 59.34 1wi6 s THR 79 Cb -0.26 -2.69 0.35 0.00 -1.51 0.00 0.00 72.50 68.39 1wi6 s THR 79 CO 0.32 -0.23 2.02 0.78 -2.21 0.00 0.00 174.62 175.30 1wi6 h ASN 80 N 1.94 0.11 -0.20 8.08 2.35 -1.97 -0.10 115.58 125.79 1wi6 h ASN 80 Ca -0.42 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.24 1wi6 h ASN 80 Cb 1.25 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 1wi6 h ASN 80 CO 0.67 0.06 -0.18 -0.61 -1.65 0.00 0.00 177.43 175.73 1wi6 h GLN 81 N 0.12 0.62 -0.26 0.81 5.75 -1.98 -0.09 115.11 120.07 1wi6 h GLN 81 Ca 0.21 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1wi6 h GLN 81 Cb 0.67 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 1wi6 h GLN 81 CO -0.02 0.77 0.03 1.49 -2.65 0.00 0.00 178.83 178.45 1wi6 h GLU 82 N 0.56 0.44 -0.36 1.69 4.57 -1.40 -0.55 114.58 119.53 1wi6 h GLU 82 Ca 0.09 -0.12 -0.16 0.00 -1.18 0.00 0.00 59.36 57.99 1wi6 h GLU 82 Cb 0.62 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1wi6 h GLU 82 CO 0.04 0.57 -0.40 -0.39 -1.18 0.00 0.00 179.01 177.66 1wi6 h VAL 83 N 0.25 1.28 -0.16 0.32 -1.51 -1.40 -2.21 116.25 112.81 1wi6 h VAL 83 Ca 0.08 -1.57 -0.01 0.00 -1.23 0.00 0.00 66.70 63.97 1wi6 h VAL 83 Cb 0.35 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 1wi6 h VAL 83 CO 0.01 0.52 0.08 0.45 -1.23 0.00 0.00 177.57 177.40 1wi6 h HIS 84 N 0.71 0.23 -0.62 5.19 3.86 -0.96 -2.17 115.15 121.40 1wi6 h HIS 84 Ca 0.05 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1wi6 h HIS 84 Cb 0.99 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.36 1wi6 h HIS 84 CO 0.07 0.27 0.27 0.22 0.86 0.00 0.00 177.93 179.62 1wi6 h ASP 85 N 0.13 0.81 -0.72 2.45 3.58 -1.11 0.97 116.42 122.53 1wi6 h ASP 85 Ca 0.06 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 1wi6 h ASP 85 Cb 0.13 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 1wi6 h ASP 85 CO -0.01 0.71 0.39 0.25 -2.88 0.00 0.00 179.24 177.70 1wi6 h LEU 86 N 0.88 0.91 -3.30 2.28 5.85 -1.12 -2.93 115.31 117.88 1wi6 h LEU 86 Ca 0.21 -0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 1wi6 h LEU 86 Cb 0.14 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 40.83 1wi6 h LEU 86 CO -0.02 0.75 -0.19 0.18 -0.34 0.00 0.00 178.44 178.82 1wi6 n LEU 87 N -4.46 3.91 -0.03 2.25 4.77 -0.84 -4.70 117.00 117.89 1wi6 n LEU 87 Ca 0.06 -3.86 -0.14 0.00 -0.03 0.00 0.00 56.01 52.04 1wi6 n LEU 87 Cb 0.10 -0.61 -0.10 0.00 -2.33 0.00 0.00 43.42 40.48 1wi6 n LEU 87 CO 0.38 1.34 0.53 0.77 -1.33 0.00 0.00 177.39 179.08 1wi6 h SER 88 N 1.05 0.13 -0.97 -1.43 4.64 0.12 -3.23 113.55 113.85 1wi6 h SER 88 Ca 0.19 -0.64 0.38 0.00 -0.47 0.00 0.00 61.79 61.25 1wi6 h SER 88 Cb 1.51 -0.04 -0.18 0.00 -0.31 0.00 0.00 62.40 63.39 1wi6 h SER 88 CO 0.34 0.74 0.44 0.47 -0.87 0.00 0.00 176.83 177.95 1wi6 n ASP 89 N -4.67 0.26 -4.52 4.97 9.92 -1.26 -4.41 116.55 116.83 1wi6 n ASP 89 Ca -0.09 1.62 -0.26 0.00 -0.53 0.00 0.00 54.79 55.54 1wi6 n ASP 89 Cb 0.37 -0.76 0.13 0.00 -0.64 0.00 0.00 41.12 40.22 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 -5.57 1.71 -0.46 1.24 2.02 -1.22 -5.03 117.35 110.04 1wi6 s TYR 90 Ca -0.09 -0.02 -0.24 0.00 -0.37 0.00 0.00 57.07 56.34 1wi6 s TYR 90 Cb 0.32 -3.37 0.03 0.00 -0.40 0.00 0.00 41.96 38.54 1wi6 s TYR 90 CO 0.76 -1.98 0.84 -1.21 -1.57 0.00 0.00 175.55 172.39 1wi6 s GLU 91 N -5.39 3.44 -0.86 -0.62 8.01 -1.26 -4.99 118.70 117.02 1wi6 s GLU 91 Ca 0.68 -0.04 -0.21 0.00 0.01 0.00 0.00 54.97 55.41 1wi6 s GLU 91 Cb -0.05 -3.95 0.09 0.00 -4.31 0.00 0.00 34.13 25.91 1wi6 s GLU 91 CO 0.47 -1.18 1.17 -0.51 0.01 0.00 0.00 175.26 175.22 1wi6 s LEU 92 N 3.49 4.36 0.12 1.80 1.43 -1.26 -3.87 118.68 124.75 1wi6 s LEU 92 Ca 0.32 -1.50 -0.09 0.00 -1.03 0.00 0.00 54.13 51.84 1wi6 s LEU 92 Cb -0.11 -2.46 -0.12 0.00 0.03 0.00 0.00 46.19 43.53 1wi6 s LEU 92 CO 0.24 -1.33 1.30 0.11 0.23 0.00 0.00 176.35 176.90 1wi6 h LYS 93 N 9.35 0.60 -3.85 1.70 1.79 -1.87 -3.45 116.57 120.85 1wi6 h LYS 93 Ca 0.01 -0.56 -0.33 0.00 -2.18 0.00 0.00 60.65 57.59 1wi6 h LYS 93 Cb 1.04 0.14 -0.32 0.00 -1.58 0.00 0.00 32.23 31.50 1wi6 h LYS 93 CO 1.22 1.18 -0.75 -0.47 -1.08 0.00 0.00 179.45 179.55 1wi6 s TYR 94 N -3.50 0.35 -0.09 -1.35 5.04 -1.19 -5.02 117.35 111.59 1wi6 s TYR 94 Ca -0.08 -0.03 0.03 0.00 -2.44 0.00 0.00 57.07 54.54 1wi6 s TYR 94 Cb 0.09 -0.37 0.01 0.00 0.35 0.00 0.00 41.96 42.04 1wi6 s TYR 94 CO 0.89 -0.10 -0.17 0.00 -1.34 0.00 0.00 175.55 174.83 1wi6 s PHE 96 N 0.63 -0.08 -0.18 0.00 2.19 -0.47 -5.03 117.98 115.03 1wi6 s PHE 96 Ca -0.14 0.45 0.01 0.00 0.33 0.00 0.00 56.93 57.57 1wi6 s PHE 96 Cb -0.16 -0.32 0.03 0.00 -1.31 0.00 0.00 43.02 41.25 1wi6 s PHE 96 CO 0.04 -0.22 -0.14 0.08 1.83 0.00 0.00 175.22 176.81 1wi6 s VAL 97 N 2.09 1.78 -0.49 3.12 1.01 -1.26 -0.95 120.40 125.69 1wi6 s VAL 97 Ca 0.02 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1wi6 s VAL 97 Cb -0.12 -1.73 0.13 0.00 0.00 0.00 0.00 36.38 34.66 1wi6 s VAL 97 CO -0.05 0.35 0.26 -0.62 0.00 0.00 0.00 175.10 175.04 1wi6 s ASP 98 N 1.37 4.83 0.09 3.32 2.15 -0.61 -4.95 116.67 122.87 1wi6 s ASP 98 Ca 0.02 -2.62 -0.18 0.00 0.43 0.00 0.00 52.55 50.20 1wi6 s ASP 98 Cb -0.15 -1.73 -0.08 0.00 -0.30 0.00 0.00 42.92 40.67 1wi6 s ASP 98 CO -0.10 -0.36 1.54 0.07 -0.17 0.00 0.00 175.17 176.15 1wi6 h LYS 99 N 7.15 0.45 -0.10 4.34 2.10 -1.93 -1.33 116.57 127.25 1wi6 h LYS 99 Ca -0.06 -0.14 0.01 0.00 -2.00 0.00 0.00 60.65 58.46 1wi6 h LYS 99 Cb 0.96 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.24 1wi6 h LYS 99 CO 0.66 0.60 -0.06 0.66 -2.00 0.00 0.00 179.45 179.32 1wi6 n TYR 100 N -4.64 -0.04 -0.07 0.07 4.01 -1.26 -0.39 117.16 114.83 1wi6 n TYR 100 Ca -0.03 0.12 -0.08 0.00 -0.16 0.00 0.00 57.90 57.75 1wi6 n TYR 100 Cb 0.23 -0.40 0.08 0.00 -0.31 0.00 0.00 39.34 38.93 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 0.75 0.00 -0.72 1.79 -2.01 -3.47 116.57 112.91 1wi6 h LYS 101 Ca 0.02 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1wi6 h LYS 101 Cb 0.04 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1wi6 h LYS 101 CO -0.09 0.95 0.00 0.41 -1.08 0.00 0.00 179.45 179.64 1wi6 n GLY 102 N -0.12 1.55 3.26 3.86 0.00 0.47 -4.91 105.19 109.30 1wi6 n GLY 102 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 0.46 -0.03 2.61 -4.23 -0.66 -2.49 115.64 109.29 1wi6 s THR 103 Ca 0.00 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 58.51 1wi6 s THR 103 Cb 0.00 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.45 1wi6 s THR 103 CO 0.00 -0.17 0.06 0.00 -0.54 0.00 0.00 174.62 173.97 1wi6 s ALA 104 N -3.82 -0.01 -0.20 3.99 0.00 -1.23 -1.58 121.76 118.92 1wi6 s ALA 104 Ca 0.33 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.67 1wi6 s ALA 104 Cb 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1wi6 s ALA 104 CO 0.10 -0.14 -0.06 -0.06 0.00 0.00 0.00 175.76 175.60 1wi6 s PHE 105 N 1.15 2.94 -0.02 0.00 0.08 -0.13 -3.05 117.98 118.95 1wi6 s PHE 105 Ca -0.08 -0.82 0.02 0.00 0.12 0.00 0.00 56.93 56.17 1wi6 s PHE 105 Cb -0.13 -2.04 0.00 0.00 -0.57 0.00 0.00 43.02 40.29 1wi6 s PHE 105 CO -0.04 -0.43 -0.08 0.08 -0.10 0.00 0.00 175.22 174.65 1wi6 s VAL 106 N 1.13 0.70 -0.22 -0.44 1.01 -1.24 -1.37 120.40 119.97 1wi6 s VAL 106 Ca 0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 1wi6 s VAL 106 Cb -0.15 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1wi6 s VAL 106 CO -0.01 0.23 0.00 -0.89 0.00 0.00 0.00 175.10 174.43 1wi6 s THR 107 N 0.22 3.82 0.81 3.92 2.01 -1.01 -2.31 115.64 123.10 1wi6 s THR 107 Ca -0.03 -0.34 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 1wi6 s THR 107 Cb -0.08 -2.75 0.15 0.00 0.01 0.00 0.00 72.50 69.83 1wi6 s THR 107 CO 0.00 0.40 1.11 -0.76 -0.69 0.00 0.00 174.62 174.68 1wi6 s LEU 108 N 1.37 2.88 -0.03 4.42 1.43 -1.19 -3.17 118.68 124.39 1wi6 s LEU 108 Ca 0.05 -0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 52.95 1wi6 s LEU 108 Cb -0.15 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 1wi6 s LEU 108 CO 0.00 -2.16 0.47 0.25 0.23 0.00 0.00 176.35 175.14 1wi6 h LEU 109 N -0.93 -0.24 0.00 1.79 5.85 -1.91 -3.46 115.31 116.41 1wi6 h LEU 109 Ca -0.39 0.01 -0.27 0.00 0.84 0.00 0.00 57.88 58.06 1wi6 h LEU 109 Cb 1.26 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 1wi6 h LEU 109 CO 0.40 0.03 -0.12 -0.46 -0.34 0.00 0.00 178.44 177.95 1wi6 n ASN 110 N -3.89 1.75 0.03 1.25 0.23 -1.26 -4.92 115.26 108.45 1wi6 n ASN 110 Ca -0.04 -1.89 -0.03 0.00 -0.53 0.00 0.00 54.58 52.09 1wi6 n ASN 110 Cb 0.11 -0.04 -0.09 0.00 -2.08 0.00 0.00 39.78 37.68 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 0.29 0.00 0.90 4.83 0.00 -1.93 -3.34 103.07 103.81 1wi6 h GLY 111 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.20 1wi6 h GLY 111 CO 0.25 0.00 0.60 1.05 0.00 0.00 0.00 176.54 178.45 1wi6 h GLU 112 N 0.00 1.15 -0.49 4.80 4.11 -1.98 -1.37 114.58 120.80 1wi6 h GLU 112 Ca -0.16 -0.07 -0.09 0.00 0.07 0.00 0.00 59.36 59.11 1wi6 h GLU 112 Cb 1.72 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1wi6 h GLU 112 CO 0.07 0.76 -0.07 1.96 0.07 0.00 0.00 179.01 181.80 1wi6 h GLN 113 N 1.18 0.86 -0.26 1.06 4.20 -1.98 -2.24 115.11 117.93 1wi6 h GLN 113 Ca 0.36 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1wi6 h GLN 113 Cb -0.02 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1wi6 h GLN 113 CO -0.11 0.91 0.06 0.00 -0.67 0.00 0.00 178.83 179.01 1wi6 h ALA 114 N 1.13 0.35 -0.34 3.87 0.00 -1.50 -1.33 119.26 121.44 1wi6 h ALA 114 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wi6 h ALA 114 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1wi6 h ALA 114 CO 0.03 0.01 0.22 1.49 0.00 0.00 0.00 179.25 181.01 1wi6 h GLU 115 N 0.25 0.46 -0.23 0.00 4.81 -1.18 0.21 114.58 118.90 1wi6 h GLU 115 Ca 0.08 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1wi6 h GLU 115 Cb 0.30 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1wi6 h GLU 115 CO 0.00 0.32 0.14 0.00 -0.73 0.00 0.00 179.01 178.75 1wi6 h ALA 116 N 1.11 0.29 -0.50 2.92 0.00 -1.33 0.35 119.26 122.10 1wi6 h ALA 116 Ca 0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1wi6 h ALA 116 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1wi6 h ALA 116 CO -0.03 -0.22 0.12 0.00 0.00 0.00 0.00 179.25 179.13 1wi6 h ALA 117 N 1.06 0.65 -0.56 0.00 0.00 -1.04 -2.54 119.26 116.84 1wi6 h ALA 117 Ca 0.08 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1wi6 h ALA 117 Cb -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1wi6 h ALA 117 CO -0.02 0.35 -0.09 0.82 0.00 0.00 0.00 179.25 180.31 1wi6 h ILE 118 N 0.68 1.27 -0.35 0.00 2.04 -0.37 0.31 117.51 121.09 1wi6 h ILE 118 Ca 0.16 -1.25 0.04 0.00 1.00 0.00 0.00 64.86 64.80 1wi6 h ILE 118 Cb 0.33 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1wi6 h ILE 118 CO 0.00 0.45 0.13 -1.13 0.00 0.00 0.00 178.15 177.60 1wi6 h ASN 119 N 0.94 0.16 0.01 1.72 -0.73 -0.15 0.88 115.58 118.41 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 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.26 1wi6 h ASN 119 CO 0.05 0.13 -0.12 0.74 -0.37 0.00 0.00 177.43 177.86 1wi6 h THR 120 N 0.29 1.64 0.00 -3.57 2.02 -1.38 -3.27 112.91 108.63 1wi6 h THR 120 Ca 0.15 -2.03 -0.01 0.00 0.77 0.00 0.00 66.41 65.29 1wi6 h THR 120 Cb 0.11 2.98 -0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1wi6 h THR 120 CO -0.15 0.54 -0.07 -0.26 0.37 0.00 0.00 175.52 175.95 1wi6 h PHE 121 N -0.73 0.00 -4.24 3.16 0.04 -0.31 -3.41 116.94 111.45 1wi6 h PHE 121 Ca -0.02 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.24 1wi6 h PHE 121 Cb 0.95 0.00 0.14 0.00 2.20 0.00 0.00 35.95 39.24 1wi6 h PHE 121 CO 0.21 0.07 0.33 -1.58 -0.60 0.00 0.00 178.31 176.75 1wi6 s HIS 122 N -4.81 2.33 -0.49 -0.55 5.65 0.30 -2.87 115.29 114.87 1wi6 s HIS 122 Ca -0.05 1.60 0.00 0.00 0.25 0.00 0.00 55.06 56.87 1wi6 s HIS 122 Cb 0.16 -3.21 0.00 0.00 -1.18 0.00 0.00 32.58 28.35 1wi6 s HIS 122 CO 0.66 -2.08 0.00 0.00 -0.65 0.00 0.00 174.74 172.67 1wi6 n GLN 123 N -3.13 -2.48 -2.84 2.88 10.64 -1.26 -4.90 117.38 116.29 1wi6 n GLN 123 Ca 0.11 0.28 -0.19 0.00 -1.83 0.00 0.00 57.00 55.36 1wi6 n GLN 123 Cb 0.52 -4.77 0.03 0.00 -0.86 0.00 0.00 30.24 25.16 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 -1.95 5.36 0.02 2.61 1.04 -1.14 -4.99 113.70 114.65 1wi6 s SER 124 Ca 0.00 -0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.10 1wi6 s SER 124 Cb 0.00 -0.61 -0.01 0.00 0.10 0.00 0.00 66.02 65.50 1wi6 s SER 124 CO 0.00 -1.04 0.04 -0.13 0.98 0.00 0.00 173.24 173.09 1wi6 s ARG 125 N -4.60 0.43 -0.10 4.02 0.52 -1.26 -1.96 118.95 116.01 1wi6 s ARG 125 Ca 0.57 -0.63 -0.04 0.00 -0.52 0.00 0.00 55.73 55.11 1wi6 s ARG 125 Cb -0.09 0.17 0.05 0.00 0.52 0.00 0.00 34.95 35.59 1wi6 s ARG 125 CO 0.36 -0.09 0.21 -1.17 0.02 0.00 0.00 175.30 174.64 1wi6 s LEU 126 N -1.68 0.37 -1.55 2.53 2.96 -0.69 -4.89 118.68 115.74 1wi6 s LEU 126 Ca -0.12 0.46 -0.10 0.00 -0.22 0.00 0.00 54.13 54.15 1wi6 s LEU 126 Cb -0.06 0.59 0.08 0.00 0.50 0.00 0.00 46.19 47.30 1wi6 s LEU 126 CO -0.02 -0.18 0.67 0.54 -1.32 0.00 0.00 176.35 176.04 1wi6 n ARG 127 N 4.45 -3.64 -3.25 1.98 5.12 -1.26 -1.47 116.66 118.58 1wi6 n ARG 127 Ca -0.22 0.43 -0.15 0.00 -1.93 0.00 0.00 57.85 55.98 1wi6 n ARG 127 Cb 0.52 -4.93 0.08 0.00 -1.16 0.00 0.00 32.46 26.96 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 -4.44 -4.58 -3.77 5.56 1.02 -1.26 -5.03 120.64 108.14 1wi6 n GLU 128 Ca -0.10 0.80 -0.13 0.00 -0.02 0.00 0.00 57.16 57.71 1wi6 n GLU 128 Cb 0.58 -5.60 -0.10 0.00 -0.02 0.00 0.00 31.44 26.30 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 -4.89 0.45 -0.20 3.49 1.04 -0.54 -5.13 118.95 113.17 1wi6 s ARG 129 Ca 0.17 0.25 -0.29 0.00 -1.04 0.00 0.00 55.73 54.82 1wi6 s ARG 129 Cb -0.02 0.21 0.01 0.00 -2.04 0.00 0.00 34.95 33.10 1wi6 s ARG 129 CO 0.68 -0.08 1.03 -2.00 -0.04 0.00 0.00 175.30 174.89 1wi6 s GLU 130 N -0.27 4.30 -0.18 3.89 2.12 -1.26 -1.70 118.70 125.60 1wi6 s GLU 130 Ca -0.04 1.37 -0.09 0.00 0.36 0.00 0.00 54.97 56.57 1wi6 s GLU 130 Cb -0.03 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.69 1wi6 s GLU 130 CO 0.01 -0.56 0.11 -0.51 -0.54 0.00 0.00 175.26 173.78 1wi6 s LEU 131 N 2.94 4.14 -0.11 2.70 1.43 -0.83 -4.81 118.68 124.13 1wi6 s LEU 131 Ca 0.45 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1wi6 s LEU 131 Cb -0.16 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1wi6 s LEU 131 CO 0.09 0.22 0.04 -0.55 0.23 0.00 0.00 176.35 176.38 1wi6 s SER 132 N 0.12 5.56 -0.04 2.29 0.15 -1.15 -4.09 113.70 116.55 1wi6 s SER 132 Ca 0.08 0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.91 1wi6 s SER 132 Cb -0.11 -1.72 0.03 0.00 -1.71 0.00 0.00 66.02 62.51 1wi6 s SER 132 CO -0.01 0.34 0.08 -0.69 1.20 0.00 0.00 173.24 174.16 1wi6 s VAL 133 N -0.63 -0.05 0.15 4.45 1.01 -1.26 -2.28 120.40 121.79 1wi6 s VAL 133 Ca 0.11 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 1wi6 s VAL 133 Cb -0.12 -0.15 0.04 0.00 0.00 0.00 0.00 36.38 36.16 1wi6 s VAL 133 CO 0.02 0.07 0.49 0.00 0.00 0.00 0.00 175.10 175.68 1wi6 s GLN 134 N 1.02 1.20 0.44 2.72 -2.07 -1.07 -4.85 119.66 117.06 1wi6 s GLN 134 Ca -0.08 -0.67 -0.25 0.00 -1.82 0.00 0.00 55.36 52.53 1wi6 s GLN 134 Cb -0.11 0.52 -0.08 0.00 -1.09 0.00 0.00 33.01 32.24 1wi6 s GLN 134 CO -0.04 -0.50 1.40 -0.51 -1.32 0.00 0.00 175.29 174.33 1wi6 s LEU 135 N -2.80 4.12 0.30 2.60 1.43 -1.26 -1.07 118.68 122.01 1wi6 s LEU 135 Ca 0.04 2.87 -0.26 0.00 -1.03 0.00 0.00 54.13 55.74 1wi6 s LEU 135 Cb 0.00 -3.94 -0.14 0.00 0.03 0.00 0.00 46.19 42.14 1wi6 s LEU 135 CO -0.10 -1.13 0.72 0.00 0.23 0.00 0.00 176.35 176.07 1wi6 n GLN 136 N -0.16 0.71 -2.17 1.70 10.64 -0.72 -4.69 117.38 122.69 1wi6 n GLN 136 Ca 0.05 0.25 -0.42 0.00 -1.83 0.00 0.00 57.00 55.05 1wi6 n GLN 136 Cb 0.42 -1.49 -0.03 0.00 -0.86 0.00 0.00 30.24 28.29 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 -1.39 4.26 0.39 2.61 0.04 -1.26 -4.95 135.00 134.70 1wi6 s PRO 137 Ca 0.61 2.02 -0.23 0.00 0.04 0.00 0.00 61.00 63.45 1wi6 s PRO 137 Cb -0.74 -3.60 -0.13 0.00 0.04 0.00 0.00 34.50 30.07 1wi6 s PRO 137 CO 0.58 -0.62 0.58 0.25 0.04 0.00 0.00 177.00 177.83 1wi6 n THR 138 N 4.74 1.77 -3.81 1.26 -2.24 -1.26 -1.74 114.28 113.00 1wi6 n THR 138 Ca 0.14 -0.50 -0.27 0.00 -2.27 0.00 0.00 64.05 61.15 1wi6 n THR 138 Cb 0.43 -0.54 0.03 0.00 -2.10 0.00 0.00 70.33 68.16 1wi6 n THR 138 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1wi6 n ASP 139 N 1.35 -3.72 -0.09 3.42 -0.08 -1.26 -4.89 116.55 111.29 1wi6 n ASP 139 Ca 0.12 -0.77 -0.12 0.00 -1.51 0.00 0.00 54.79 52.50 1wi6 n ASP 139 Cb 0.38 -4.05 -0.05 0.00 2.34 0.00 0.00 41.12 39.74 1wi6 n ASP 139 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wi6 h ALA 140 N 0.94 0.37 -2.45 -1.67 0.00 -1.73 -3.44 119.26 111.28 1wi6 h ALA 140 Ca -0.59 -0.33 -0.52 0.00 0.00 0.00 0.00 54.91 53.47 1wi6 h ALA 140 Cb 1.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1wi6 h ALA 140 CO 0.63 0.26 -0.04 -0.51 0.00 0.00 0.00 179.25 179.58 1wi6 s LEU 141 N -9.16 4.14 -0.07 0.00 1.43 -1.26 -5.00 118.68 108.74 1wi6 s LEU 141 Ca -0.13 1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1wi6 s LEU 141 Cb 0.08 -3.80 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 1wi6 s LEU 141 CO 0.79 -0.11 -0.07 0.18 0.23 0.00 0.00 176.35 177.37 1wi6 n LEU 142 N -0.17 2.61 -4.57 1.79 4.32 -1.26 -4.89 117.00 114.83 1wi6 n LEU 142 Ca 0.01 -0.02 -0.17 0.00 -0.02 0.00 0.00 56.01 55.82 1wi6 n LEU 142 Cb 0.53 -0.25 -0.08 0.00 -1.62 0.00 0.00 43.42 41.99 1wi6 n LEU 142 CO 0.44 0.55 1.21 0.00 -1.22 0.00 0.00 177.39 178.37 1wi6 s SER 144 N 9.38 1.79 0.40 0.00 0.01 -1.26 -5.13 113.70 118.88 1wi6 s SER 144 Ca 0.84 -0.26 -0.25 0.00 1.31 0.00 0.00 55.95 57.59 1wi6 s SER 144 Cb -0.08 -0.76 -0.08 0.00 0.21 0.00 0.00 66.02 65.30 1wi6 s SER 144 CO 0.11 -0.05 1.12 -0.83 0.41 0.00 0.00 173.24 174.00 1wi6 s GLY 145 N 1.14 2.82 -0.99 3.44 0.00 -1.26 -4.92 107.32 107.55 1wi6 s GLY 145 Ca -0.06 0.87 -0.24 0.00 0.00 0.00 0.00 44.72 45.29 1wi6 s GLY 145 CO -0.02 1.35 1.94 2.56 0.00 0.00 0.00 173.10 178.94 1wi6 s PRO 146 N -2.37 2.54 -0.04 2.90 0.04 -1.26 -4.85 135.00 131.96 1wi6 s PRO 146 Ca 0.57 -0.56 -0.29 0.00 0.04 0.00 0.00 61.00 60.77 1wi6 s PRO 146 Cb -0.28 -5.12 0.09 0.00 0.04 0.00 0.00 34.50 29.24 1wi6 s PRO 146 CO 0.34 -3.55 0.81 -1.54 0.04 0.00 0.00 177.00 173.10 1wi6 s SER 147 N 7.56 -0.50 0.46 6.66 1.04 -1.26 -5.17 113.70 122.49 1wi6 s SER 147 Ca 0.69 0.37 -0.16 0.00 0.48 0.00 0.00 55.95 57.34 1wi6 s SER 147 Cb -0.05 0.44 -0.08 0.00 0.10 0.00 0.00 66.02 66.44 1wi6 s SER 147 CO 0.03 -0.58 0.91 -0.55 0.98 0.00 0.00 173.24 174.03 1wi6 s SER 148 N -1.65 6.65 0.00 7.02 0.15 -1.26 -5.22 113.70 119.39 1wi6 s SER 148 Ca -0.03 1.46 0.00 0.00 0.70 0.00 0.00 55.95 58.07 1wi6 s SER 148 Cb -0.00 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1wi6 s SER 148 CO 0.00 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.57