#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgt s PRO 61 N 0.00 4.09 0.71 0.11 0.02 -1.26 -5.03 135.00 133.63 3fgt s PRO 61 Ca 0.00 2.04 -0.11 0.00 0.02 0.00 0.00 61.00 62.95 3fgt s PRO 61 Cb 0.00 -2.80 0.02 0.00 0.02 0.00 0.00 34.50 31.74 3fgt s PRO 61 CO 0.00 -0.36 1.07 -1.25 -0.33 0.00 0.00 177.00 176.13 3fgt s PRO 62 N -2.15 2.79 0.17 5.54 0.04 -1.26 -4.96 135.00 135.17 3fgt s PRO 62 Ca 0.55 1.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.43 3fgt s PRO 62 Cb -0.36 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.30 3fgt s PRO 62 CO 0.46 -1.22 1.63 0.28 0.04 0.00 0.00 177.00 178.19 3fgt h VAL 63 N -0.71 0.41 -3.78 -0.36 2.07 -1.91 -3.35 116.25 108.63 3fgt h VAL 63 Ca -0.44 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 66.70 3fgt h VAL 63 Cb 1.22 0.41 -0.31 0.00 -1.52 0.00 0.00 31.29 31.09 3fgt h VAL 63 CO 0.55 0.00 -0.77 -0.55 0.02 0.00 0.00 177.57 176.82 3fgt s SER 64 N -5.12 0.89 -0.02 0.57 0.15 -1.26 0.10 113.70 109.02 3fgt s SER 64 Ca -0.14 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.37 3fgt s SER 64 Cb 0.14 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.24 3fgt s SER 64 CO 0.69 0.04 0.02 -0.60 1.20 0.00 0.00 173.24 174.59 3fgt s ARG 65 N 0.24 0.03 -0.09 5.44 3.52 -0.33 -5.00 118.95 122.76 3fgt s ARG 65 Ca -0.03 0.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.73 3fgt s ARG 65 Cb -0.07 -0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.08 3fgt s ARG 65 CO -0.00 -0.13 -0.17 0.99 -0.81 0.00 0.00 175.30 175.18 3fgt s THR 66 N 0.85 1.52 0.05 4.11 2.01 -1.26 -0.83 115.64 122.09 3fgt s THR 66 Ca -0.07 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.27 3fgt s THR 66 Cb -0.11 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 3fgt s THR 66 CO -0.02 0.44 -0.10 -0.13 -0.69 0.00 0.00 174.62 174.12 3fgt s ARG 67 N 0.64 0.67 0.12 4.92 1.81 -0.54 0.15 118.95 126.71 3fgt s ARG 67 Ca -0.14 -0.76 0.07 0.00 -1.72 0.00 0.00 55.73 53.17 3fgt s ARG 67 Cb -0.16 -0.56 -0.04 0.00 -0.45 0.00 0.00 34.95 33.74 3fgt s ARG 67 CO 0.04 0.12 -0.16 -1.12 -0.68 0.00 0.00 175.30 173.50 3fgt s SER 68 N -1.42 2.21 -0.25 0.23 0.01 -0.07 -0.56 113.70 113.85 3fgt s SER 68 Ca -0.05 -0.77 0.01 0.00 1.31 0.00 0.00 55.95 56.45 3fgt s SER 68 Cb -0.09 -0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.09 3fgt s SER 68 CO 0.01 -0.07 -0.10 -0.22 0.41 0.00 0.00 173.24 173.27 3fgt s LEU 69 N -2.30 3.26 -0.02 2.44 2.96 -0.03 -0.66 118.68 124.32 3fgt s LEU 69 Ca 0.09 -1.15 -0.07 0.00 -0.22 0.00 0.00 54.13 52.77 3fgt s LEU 69 Cb -0.07 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 3fgt s LEU 69 CO 0.04 -0.16 0.26 -0.76 -1.32 0.00 0.00 176.35 174.41 3fgt s LEU 70 N 1.20 4.39 -0.21 -0.68 1.02 -0.46 -0.35 118.68 123.59 3fgt s LEU 70 Ca -0.04 0.58 -0.17 0.00 0.02 0.00 0.00 54.13 54.52 3fgt s LEU 70 Cb -0.18 -2.53 -0.03 0.00 0.02 0.00 0.00 46.19 43.46 3fgt s LEU 70 CO -0.06 0.29 0.46 -0.22 0.02 0.00 0.00 176.35 176.85 3fgt s LEU 71 N -1.53 4.14 -0.10 1.79 2.96 -1.26 -1.06 118.68 123.62 3fgt s LEU 71 Ca 0.24 0.58 -0.30 0.00 -0.22 0.00 0.00 54.13 54.43 3fgt s LEU 71 Cb -0.13 -2.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 3fgt s LEU 71 CO 0.13 -0.15 1.04 -0.62 -1.32 0.00 0.00 176.35 175.44 3fgt s ASP 72 N 1.17 7.21 0.23 3.68 2.15 0.24 -4.93 116.67 126.42 3fgt s ASP 72 Ca 0.21 1.57 -0.16 0.00 0.43 0.00 0.00 52.55 54.60 3fgt s ASP 72 Cb -0.15 -2.56 0.26 0.00 -0.30 0.00 0.00 42.92 40.18 3fgt s ASP 72 CO 0.09 -0.48 1.56 0.00 -0.17 0.00 0.00 175.17 176.17 3fgt h ALA 73 N 7.17 0.22 0.00 3.66 0.00 -1.96 -3.20 119.26 125.16 3fgt h ALA 73 Ca -0.31 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fgt h ALA 73 Cb 1.15 0.95 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 3fgt h ALA 73 CO 0.86 -0.59 -0.01 0.00 0.00 0.00 0.00 179.25 179.52 3fgt h ALA 74 N 1.44 0.00 -0.83 0.00 0.00 -1.97 -3.42 119.26 114.49 3fgt h ALA 74 Ca 0.36 -0.03 0.28 0.00 0.00 0.00 0.00 54.91 55.51 3fgt h ALA 74 Cb 0.61 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.25 3fgt h ALA 74 CO -0.96 0.00 0.19 0.43 0.00 0.00 0.00 179.25 178.91 3fgt n SER 75 N -4.77 0.06 -4.49 0.00 7.64 -1.21 -4.77 113.62 106.08 3fgt n SER 75 Ca -0.01 1.39 -0.42 0.00 1.01 0.00 0.00 58.87 60.84 3fgt n SER 75 Cb 0.02 -0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 62.62 3fgt n SER 75 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3fgt s GLY 76 N -4.24 1.35 0.14 0.23 0.00 -1.26 -5.09 107.32 98.45 3fgt s GLY 76 Ca -0.09 -1.98 0.09 0.00 0.00 0.00 0.00 44.72 42.74 3fgt s GLY 76 CO 0.64 2.28 -0.17 1.20 0.00 0.00 0.00 173.10 177.05 3fgt s GLN 77 N 4.31 1.80 0.18 2.90 -0.21 -1.25 -4.76 119.66 122.62 3fgt s GLN 77 Ca 0.31 -1.23 -0.29 0.00 0.02 0.00 0.00 55.36 54.16 3fgt s GLN 77 Cb -0.10 -2.09 -0.08 0.00 1.00 0.00 0.00 33.01 31.74 3fgt s GLN 77 CO 0.04 0.46 0.92 -0.51 -2.12 0.00 0.00 175.29 174.09 3fgt s LEU 78 N -2.31 4.59 -0.08 2.90 1.43 -1.26 -0.59 118.68 123.37 3fgt s LEU 78 Ca 0.19 1.85 -0.06 0.00 -1.03 0.00 0.00 54.13 55.07 3fgt s LEU 78 Cb -0.10 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.59 3fgt s LEU 78 CO 0.11 0.09 0.20 0.00 0.23 0.00 0.00 176.35 176.97 3fgt s ARG 79 N -0.75 0.22 0.21 1.70 1.70 -0.22 -4.97 118.95 116.84 3fgt s ARG 79 Ca 0.42 0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 55.68 3fgt s ARG 79 Cb -0.25 0.08 -0.08 0.00 -0.57 0.00 0.00 34.95 34.13 3fgt s ARG 79 CO 0.30 -0.05 0.95 -0.51 -1.08 0.00 0.00 175.30 174.92 3fgt s LEU 80 N 0.26 4.61 0.10 -1.89 1.43 -1.26 -1.36 118.68 120.57 3fgt s LEU 80 Ca -0.01 1.92 0.08 0.00 -1.03 0.00 0.00 54.13 55.09 3fgt s LEU 80 Cb -0.03 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 3fgt s LEU 80 CO -0.01 0.10 -0.20 -1.61 0.23 0.00 0.00 176.35 174.86 3fgt s GLU 81 N -0.90 1.12 0.45 1.70 2.02 0.17 -4.98 118.70 118.29 3fgt s GLU 81 Ca 0.42 -1.13 -0.22 0.00 0.02 0.00 0.00 54.97 54.06 3fgt s GLU 81 Cb -0.25 -1.36 -0.08 0.00 0.10 0.00 0.00 34.13 32.53 3fgt s GLU 81 CO 0.32 0.32 1.07 -0.51 0.02 0.00 0.00 175.26 176.48 3fgt s ASP 82 N -1.84 6.43 0.00 -0.19 1.11 -1.26 -0.89 116.67 120.04 3fgt s ASP 82 Ca 0.06 2.05 0.00 0.00 0.18 0.00 0.00 52.55 54.84 3fgt s ASP 82 Cb -0.10 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.31 3fgt s ASP 82 CO 0.04 -0.72 0.00 0.61 1.18 0.00 0.00 175.17 176.28 3fgt n GLY 83 N 0.13 -2.25 3.65 0.21 0.00 0.12 -4.79 105.19 102.26 3fgt n GLY 83 Ca 0.07 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 3fgt n GLY 83 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fgt s PHE 84 N -0.25 3.33 -0.29 1.61 5.36 -1.26 -3.49 117.98 122.99 3fgt s PHE 84 Ca 0.00 0.58 -0.04 0.00 -0.96 0.00 0.00 56.93 56.51 3fgt s PHE 84 Cb 0.00 -2.58 0.10 0.00 -0.34 0.00 0.00 43.02 40.20 3fgt s PHE 84 CO 0.00 -0.11 0.13 -1.01 -1.46 0.00 0.00 175.22 172.77 3fgt s HIS 85 N 1.66 0.37 -1.24 10.12 3.76 -1.26 -5.00 115.29 123.70 3fgt s HIS 85 Ca 0.19 -0.91 0.29 0.00 -0.15 0.00 0.00 55.06 54.48 3fgt s HIS 85 Cb -0.15 -0.93 1.37 0.00 1.11 0.00 0.00 32.58 33.98 3fgt s HIS 85 CO 0.09 -0.83 1.98 -2.30 -0.85 0.00 0.00 174.74 172.83 3fgt n PRO 86 N 5.23 0.24 0.20 8.40 -0.02 -1.26 -1.44 135.00 146.35 3fgt n PRO 86 Ca -0.06 0.01 0.14 0.00 -2.02 0.00 0.00 63.50 61.57 3fgt n PRO 86 Cb 0.42 -1.50 0.53 0.00 -0.02 0.00 0.00 33.50 32.94 3fgt n PRO 86 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3fgt h ASP 87 N 0.00 0.00 -4.18 2.55 2.03 -1.99 -3.47 116.42 111.36 3fgt h ASP 87 Ca 0.00 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.80 3fgt h ASP 87 Cb 0.37 0.00 0.14 0.00 -0.83 0.00 0.00 39.33 39.01 3fgt h ASP 87 CO 0.00 0.00 0.28 0.00 -1.03 0.00 0.00 179.24 178.49 3fgt s ALA 88 N -3.43 1.86 0.26 4.15 0.00 -0.52 -4.87 121.76 119.20 3fgt s ALA 88 Ca 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 3fgt s ALA 88 Cb 0.09 -3.22 0.32 0.00 0.00 0.00 0.00 23.12 20.31 3fgt s ALA 88 CO 0.51 -2.09 1.81 0.28 0.00 0.00 0.00 175.76 176.26 3fgt h VAL 89 N -1.36 1.24 -3.10 0.00 2.07 -1.01 -3.39 116.25 110.70 3fgt h VAL 89 Ca -0.47 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.18 3fgt h VAL 89 Cb 1.26 0.56 -0.14 0.00 -1.52 0.00 0.00 31.29 31.45 3fgt h VAL 89 CO 0.53 0.32 0.01 0.00 0.02 0.00 0.00 177.57 178.45 3fgt s ALA 90 N -5.31 -1.17 0.00 1.67 0.00 -1.21 0.42 121.76 116.16 3fgt s ALA 90 Ca -0.11 0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 3fgt s ALA 90 Cb 0.16 0.60 -0.00 0.00 0.00 0.00 0.00 23.12 23.87 3fgt s ALA 90 CO 0.81 -0.60 0.07 1.67 0.00 0.00 0.00 175.76 177.71 3fgt s TRP 91 N -3.24 0.09 0.03 0.00 1.48 -0.16 -0.85 118.94 116.29 3fgt s TRP 91 Ca -0.01 -0.20 0.01 0.00 -1.06 0.00 0.00 56.10 54.84 3fgt s TRP 91 Cb 0.00 -0.08 -0.02 0.00 -1.16 0.00 0.00 33.47 32.21 3fgt s TRP 91 CO -0.08 -0.21 -0.05 0.00 -4.06 0.00 0.00 176.95 172.55 3fgt s ALA 92 N -1.14 0.35 -0.19 2.67 0.00 0.27 -1.08 121.76 122.65 3fgt s ALA 92 Ca -0.12 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 3fgt s ALA 92 Cb -0.07 0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.19 3fgt s ALA 92 CO 0.00 -0.08 -0.00 1.21 0.00 0.00 0.00 175.76 176.89 3fgt s ASN 93 N -1.48 2.98 -0.25 0.00 3.84 0.10 -1.47 114.94 118.68 3fgt s ASN 93 Ca -0.12 -0.80 -0.07 0.00 0.21 0.00 0.00 52.86 52.07 3fgt s ASN 93 Cb -0.10 -0.77 -0.03 0.00 -0.55 0.00 0.00 41.25 39.81 3fgt s ASN 93 CO -0.00 -0.26 0.07 -0.22 -2.79 0.00 0.00 177.10 173.90 3fgt s LEU 94 N 1.73 3.46 -0.32 3.21 2.96 -0.01 -0.75 118.68 128.96 3fgt s LEU 94 Ca -0.01 -0.19 -0.10 0.00 -0.22 0.00 0.00 54.13 53.61 3fgt s LEU 94 Cb -0.17 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 3fgt s LEU 94 CO -0.07 -0.02 0.16 -0.89 -1.32 0.00 0.00 176.35 174.21 3fgt s THR 95 N 1.54 4.68 -0.45 3.68 2.01 0.70 -1.19 115.64 126.61 3fgt s THR 95 Ca 0.06 -0.40 -0.20 0.00 0.31 0.00 0.00 61.69 61.46 3fgt s THR 95 Cb -0.15 -3.39 0.03 0.00 0.01 0.00 0.00 72.50 69.00 3fgt s THR 95 CO 0.04 0.05 0.61 0.21 -0.69 0.00 0.00 174.62 174.84 3fgt s ASN 96 N 1.63 6.28 -0.18 3.53 3.84 0.28 -0.10 114.94 130.23 3fgt s ASN 96 Ca 0.05 -0.51 0.14 0.00 0.21 0.00 0.00 52.86 52.74 3fgt s ASN 96 Cb -0.17 -2.30 0.37 0.00 -0.55 0.00 0.00 41.25 38.60 3fgt s ASN 96 CO 0.07 -0.78 1.19 0.00 -2.79 0.00 0.00 177.10 174.79 3fgt n ALA 97 N 6.16 3.16 -0.32 1.71 0.00 -0.91 -4.61 120.51 125.71 3fgt n ALA 97 Ca -0.03 -3.03 -0.04 0.00 0.00 0.00 0.00 53.44 50.33 3fgt n ALA 97 Cb 0.47 -0.37 0.08 0.00 0.00 0.00 0.00 19.45 19.63 3fgt n ALA 97 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3fgt h ILE 98 N 0.90 1.24 -0.23 0.00 2.04 -1.51 0.24 117.51 120.19 3fgt h ILE 98 Ca -0.01 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 3fgt h ILE 98 Cb 1.03 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3fgt h ILE 98 CO 0.00 0.26 -0.04 0.03 0.00 0.00 0.00 178.15 178.40 3fgt h ARG 99 N 1.18 0.34 0.02 2.37 -0.00 -1.88 0.13 114.38 116.55 3fgt h ARG 99 Ca 0.30 -0.07 -0.34 0.00 -0.50 0.00 0.00 59.98 59.37 3fgt h ARG 99 Cb -0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 29.97 29.84 3fgt h ARG 99 CO -0.05 0.41 -2.11 0.39 0.00 0.00 0.00 179.97 178.60 3fgt n GLU 100 N -4.31 0.67 0.00 0.04 4.71 -0.79 -4.73 120.64 116.23 3fgt n GLU 100 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 57.16 57.31 3fgt n GLU 100 Cb 0.23 -1.64 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 3fgt n GLU 100 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3fgt n THR 101 N -3.02 0.00 -0.80 2.62 -2.24 0.77 -5.02 114.28 106.60 3fgt n THR 101 Ca -0.29 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3fgt n THR 101 Cb 1.08 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3fgt n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fgt n GLY 102 N 1.18 0.58 3.06 3.38 0.00 0.45 -4.98 105.19 108.86 3fgt n GLY 102 Ca 0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 3fgt n GLY 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fgt s TRP 103 N -2.00 0.81 0.29 1.61 0.52 -1.25 -4.87 118.94 114.05 3fgt s TRP 103 Ca 0.00 -0.31 0.07 0.00 0.02 0.00 0.00 56.10 55.88 3fgt s TRP 103 Cb 0.00 -0.49 -0.03 0.00 -1.15 0.00 0.00 33.47 31.80 3fgt s TRP 103 CO 0.00 -0.02 0.32 0.00 0.02 0.00 0.00 176.95 177.27 3fgt s ALA 104 N -0.76 3.87 -0.06 0.98 0.00 -1.26 -1.25 121.76 123.27 3fgt s ALA 104 Ca -0.02 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.51 3fgt s ALA 104 Cb -0.07 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.63 3fgt s ALA 104 CO 0.00 0.12 -0.11 -0.47 0.00 0.00 0.00 175.76 175.30 3fgt s TYR 105 N -2.16 1.33 -0.15 0.00 5.04 0.86 -4.93 117.35 117.35 3fgt s TYR 105 Ca 0.38 -0.47 0.01 0.00 -2.44 0.00 0.00 57.07 54.54 3fgt s TYR 105 Cb -0.08 -0.99 0.00 0.00 0.35 0.00 0.00 41.96 41.24 3fgt s TYR 105 CO 0.28 -0.25 -0.17 -1.17 -1.34 0.00 0.00 175.55 172.89 3fgt s LEU 106 N 0.67 2.38 0.07 6.97 2.96 -1.26 -0.22 118.68 130.26 3fgt s LEU 106 Ca -0.14 -0.51 0.09 0.00 -0.22 0.00 0.00 54.13 53.36 3fgt s LEU 106 Cb -0.15 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 3fgt s LEU 106 CO 0.03 0.08 -0.25 1.51 -1.32 0.00 0.00 176.35 176.40 3fgt s ASP 107 N 0.83 2.99 -0.06 3.68 3.84 0.07 -4.98 116.67 123.05 3fgt s ASP 107 Ca -0.05 -0.62 -0.03 0.00 -0.00 0.00 0.00 52.55 51.84 3fgt s ASP 107 Cb -0.15 -0.24 0.03 0.00 -1.38 0.00 0.00 42.92 41.18 3fgt s ASP 107 CO -0.01 0.20 0.14 -0.22 -0.00 0.00 0.00 175.17 175.28 3fgt s LEU 108 N -1.49 0.96 0.01 2.11 0.20 -1.26 0.03 118.68 119.24 3fgt s LEU 108 Ca 0.11 0.29 0.05 0.00 0.69 0.00 0.00 54.13 55.27 3fgt s LEU 108 Cb -0.10 0.39 -0.02 0.00 -0.43 0.00 0.00 46.19 46.04 3fgt s LEU 108 CO 0.03 -0.12 -0.15 -0.44 -0.29 0.00 0.00 176.35 175.39 3fgt s SER 109 N 0.84 1.73 0.18 3.68 0.01 -0.24 -5.00 113.70 114.89 3fgt s SER 109 Ca -0.06 -0.34 0.07 0.00 1.31 0.00 0.00 55.95 56.93 3fgt s SER 109 Cb -0.08 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 3fgt s SER 109 CO -0.04 0.13 0.00 0.42 0.41 0.00 0.00 173.24 174.16 3fgt s THR 110 N -0.53 3.73 -0.32 1.44 -4.23 -1.26 -0.98 115.64 113.48 3fgt s THR 110 Ca 0.04 -1.45 -0.16 0.00 -1.18 0.00 0.00 61.69 58.95 3fgt s THR 110 Cb -0.06 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 3fgt s THR 110 CO 0.00 -0.13 0.40 0.21 -0.54 0.00 0.00 174.62 174.57 3fgt s ASN 111 N -3.00 6.24 0.00 3.99 3.84 0.17 -4.95 114.94 121.22 3fgt s ASN 111 Ca 0.28 -0.02 0.13 0.00 0.21 0.00 0.00 52.86 53.45 3fgt s ASN 111 Cb -0.09 -2.22 0.76 0.00 -0.55 0.00 0.00 41.25 39.15 3fgt s ASN 111 CO 0.19 -0.33 1.18 0.61 -2.79 0.00 0.00 177.10 175.96 3fgt n GLY 112 N 4.83 -0.44 0.10 1.21 0.00 -1.26 -2.05 105.19 107.58 3fgt n GLY 112 Ca -0.08 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 45.99 3fgt n GLY 112 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3fgt n ARG 113 N -0.95 0.23 -4.16 1.61 0.00 -1.26 -4.77 116.66 107.36 3fgt n ARG 113 Ca 0.10 0.21 -0.26 0.00 -0.00 0.00 0.00 57.85 57.89 3fgt n ARG 113 Cb 0.04 -1.78 -0.07 0.00 0.00 0.00 0.00 32.46 30.66 3fgt n ARG 113 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3fgt s TYR 114 N -3.10 2.96 0.87 -0.14 2.02 -0.87 -5.11 117.35 113.97 3fgt s TYR 114 Ca 0.11 -0.10 -0.11 0.00 -0.37 0.00 0.00 57.07 56.59 3fgt s TYR 114 Cb 0.13 -1.41 0.11 0.00 -0.40 0.00 0.00 41.96 40.39 3fgt s TYR 114 CO 0.57 0.53 1.09 0.54 -1.57 0.00 0.00 175.55 176.71 3fgt s ASN 115 N -3.13 3.63 0.47 2.29 2.20 -1.26 -4.81 114.94 114.32 3fgt s ASN 115 Ca 0.29 1.68 0.27 0.00 -0.94 0.00 0.00 52.86 54.16 3fgt s ASN 115 Cb -0.09 -2.34 0.80 0.00 -2.00 0.00 0.00 41.25 37.62 3fgt s ASN 115 CO 0.21 -2.57 1.77 -2.24 -2.94 0.00 0.00 177.10 171.33 3fgt h ASP 116 N -1.50 0.00 -0.10 3.54 3.04 -1.95 -2.12 116.42 117.33 3fgt h ASP 116 Ca -0.47 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.31 3fgt h ASP 116 Cb 1.27 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.55 3fgt h ASP 116 CO 0.52 0.06 0.04 0.28 -2.04 0.00 0.00 179.24 178.10 3fgt h SER 117 N 0.00 0.13 -0.13 4.15 0.02 -1.97 0.10 113.55 115.85 3fgt h SER 117 Ca -0.00 -0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 60.69 3fgt h SER 117 Cb 0.80 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 3fgt h SER 117 CO 0.01 0.24 -0.30 0.25 -1.14 0.00 0.00 176.83 175.88 3fgt h LEU 118 N 0.02 0.62 -0.27 5.07 5.85 -1.86 -1.87 115.31 122.88 3fgt h LEU 118 Ca 0.03 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3fgt h LEU 118 Cb 0.14 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3fgt h LEU 118 CO -0.00 0.89 0.14 1.56 -0.34 0.00 0.00 178.44 180.69 3fgt h GLN 119 N 0.52 0.38 0.10 1.25 4.20 -1.25 -0.79 115.11 119.51 3fgt h GLN 119 Ca 0.06 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3fgt h GLN 119 Cb 0.78 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3fgt h GLN 119 CO 0.06 0.34 -0.05 0.00 -0.67 0.00 0.00 178.83 178.52 3fgt h ALA 120 N 1.01 -0.13 -0.32 3.87 0.00 -0.53 0.24 119.26 123.40 3fgt h ALA 120 Ca 0.09 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3fgt h ALA 120 Cb 0.08 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3fgt h ALA 120 CO -0.01 -0.55 0.02 -0.92 0.00 0.00 0.00 179.25 177.79 3fgt h TYR 121 N -0.17 0.03 -0.53 0.00 3.20 -1.31 -2.07 116.97 116.12 3fgt h TYR 121 Ca -0.01 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 3fgt h TYR 121 Cb 0.14 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3fgt h TYR 121 CO -0.06 -0.03 0.08 0.00 -1.64 0.00 0.00 178.16 176.51 3fgt h ALA 122 N 1.27 1.14 -0.63 1.82 0.00 -0.96 -0.94 119.26 120.96 3fgt h ALA 122 Ca 0.16 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3fgt h ALA 122 Cb 0.20 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3fgt h ALA 122 CO -0.24 0.57 0.35 0.00 0.00 0.00 0.00 179.25 179.93 3fgt h ALA 123 N 1.28 0.83 -0.44 0.00 0.00 0.08 0.26 119.26 121.25 3fgt h ALA 123 Ca 0.17 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3fgt h ALA 123 Cb 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3fgt h ALA 123 CO 0.01 0.03 -0.03 0.78 0.00 0.00 0.00 179.25 180.03 3fgt h GLY 124 N 0.65 0.87 0.87 0.00 0.00 -0.95 -2.13 103.07 102.39 3fgt h GLY 124 Ca 0.28 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3fgt h GLY 124 CO -0.17 0.61 -0.12 -2.08 0.00 0.00 0.00 176.54 174.79 3fgt h VAL 125 N 0.65 0.74 -0.52 4.60 2.07 -0.53 -1.81 116.25 121.45 3fgt h VAL 125 Ca 0.12 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 3fgt h VAL 125 Cb 0.54 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3fgt h VAL 125 CO 0.03 0.00 -0.09 -0.37 0.02 0.00 0.00 177.57 177.15 3fgt h VAL 126 N -0.27 1.26 -0.11 2.57 -1.51 -0.51 -1.31 116.25 116.37 3fgt h VAL 126 Ca -0.00 -1.22 0.02 0.00 -1.23 0.00 0.00 66.70 64.27 3fgt h VAL 126 Cb 0.25 0.97 -0.02 0.00 -2.13 0.00 0.00 31.29 30.36 3fgt h VAL 126 CO -0.02 0.43 -0.04 -0.08 -1.23 0.00 0.00 177.57 176.63 3fgt h GLU 127 N 0.85 -0.02 -0.52 5.19 4.81 -1.31 -2.40 114.58 121.20 3fgt h GLU 127 Ca 0.14 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 3fgt h GLU 127 Cb 0.63 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.95 3fgt h GLU 127 CO 0.04 -0.01 0.12 0.00 -0.73 0.00 0.00 179.01 178.43 3fgt h ALA 128 N 1.09 0.59 0.00 2.92 0.00 -1.10 -2.50 119.26 120.26 3fgt h ALA 128 Ca 0.05 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3fgt h ALA 128 Cb 0.10 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3fgt h ALA 128 CO -0.12 -0.29 -0.30 0.66 0.00 0.00 0.00 179.25 179.19 3fgt h SER 129 N 0.26 0.00 0.26 0.00 4.64 -0.89 -1.61 113.55 116.21 3fgt h SER 129 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3fgt h SER 129 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3fgt h SER 129 CO -0.33 0.30 -0.42 1.33 -0.87 0.00 0.00 176.83 176.84 3fgt n VAL 130 N -3.99 0.00 -1.55 0.95 0.24 -0.93 -4.32 118.33 108.72 3fgt n VAL 130 Ca -0.02 -0.10 0.05 0.00 -2.04 0.00 0.00 64.34 62.23 3fgt n VAL 130 Cb 0.37 0.52 0.06 0.00 -1.47 0.00 0.00 33.84 33.32 3fgt n VAL 130 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3fgt n SER 131 N -0.90 1.08 -0.17 -1.34 3.41 -0.96 -4.71 113.62 110.04 3fgt n SER 131 Ca 0.09 -2.49 -0.03 0.00 -0.26 0.00 0.00 58.87 56.18 3fgt n SER 131 Cb 0.36 -0.30 0.03 0.00 -0.26 0.00 0.00 64.21 64.04 3fgt n SER 131 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3fgt h GLU 132 N 0.00 -0.06 -0.50 4.33 4.81 -1.50 0.12 114.58 121.79 3fgt h GLU 132 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3fgt h GLU 132 Cb 1.21 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 3fgt h GLU 132 CO 0.00 -0.04 0.16 0.93 -0.73 0.00 0.00 179.01 179.33 3fgt h GLU 133 N -0.06 0.77 -0.75 1.92 3.07 -1.90 -0.13 114.58 117.49 3fgt h GLU 133 Ca 0.25 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 3fgt h GLU 133 Cb 0.44 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 3fgt h GLU 133 CO -0.57 0.72 0.42 -0.07 -1.40 0.00 0.00 179.01 178.10 3fgt h LEU 134 N 0.67 0.93 -0.16 1.33 3.38 -1.78 -0.86 115.31 118.83 3fgt h LEU 134 Ca 0.16 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3fgt h LEU 134 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3fgt h LEU 134 CO -0.01 0.75 0.09 0.40 0.09 0.00 0.00 178.44 179.77 3fgt h ILE 135 N 1.03 1.08 -0.13 1.22 2.04 -0.33 0.15 117.51 122.58 3fgt h ILE 135 Ca 0.26 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.94 3fgt h ILE 135 Cb 0.02 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3fgt h ILE 135 CO -0.04 0.08 -0.09 0.22 0.00 0.00 0.00 178.15 178.31 3fgt h TYR 136 N 0.17 -0.23 -0.20 1.37 3.20 -0.75 0.46 116.97 120.99 3fgt h TYR 136 Ca 0.06 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3fgt h TYR 136 Cb 0.05 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3fgt h TYR 136 CO -0.05 -0.14 0.02 0.52 -1.64 0.00 0.00 178.16 176.87 3fgt h MET 137 N -0.10 0.34 -0.46 1.82 2.86 -1.08 -0.27 114.93 118.04 3fgt h MET 137 Ca 0.08 -0.09 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3fgt h MET 137 Cb 0.22 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 3fgt h MET 137 CO -0.19 0.50 0.11 1.25 1.06 0.00 0.00 176.91 179.65 3fgt h HIS 138 N 0.12 0.19 -0.45 -0.22 -0.00 -0.85 0.25 115.15 114.19 3fgt h HIS 138 Ca 0.06 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.52 3fgt h HIS 138 Cb 0.33 -0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 27.67 3fgt h HIS 138 CO 0.02 0.03 0.11 2.35 -0.00 0.00 0.00 177.93 180.45 3fgt h TRP 139 N 0.26 0.18 -0.47 5.26 2.91 -0.66 -0.54 115.95 122.89 3fgt h TRP 139 Ca 0.22 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.25 3fgt h TRP 139 Cb 0.27 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 28.88 3fgt h TRP 139 CO -0.20 0.03 0.20 0.52 -1.03 0.00 0.00 178.44 177.97 3fgt h MET 140 N 0.25 0.69 -0.35 2.65 2.86 -0.56 0.56 114.93 121.03 3fgt h MET 140 Ca 0.22 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3fgt h MET 140 Cb 0.26 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3fgt h MET 140 CO -0.27 0.61 0.01 -0.91 1.06 0.00 0.00 176.91 177.41 3fgt h ASN 141 N 0.62 0.51 0.00 1.22 2.35 -0.09 -3.40 115.58 116.78 3fgt h ASN 141 Ca 0.16 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3fgt h ASN 141 Cb 0.16 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3fgt h ASN 141 CO -0.02 0.57 -0.17 0.35 -1.65 0.00 0.00 177.43 176.51 3fgt n THR 142 N -4.28 0.46 0.22 2.81 -2.24 -0.25 -4.93 114.28 106.07 3fgt n THR 142 Ca 0.02 0.26 0.03 0.00 -2.27 0.00 0.00 64.05 62.09 3fgt n THR 142 Cb 0.24 -1.50 0.03 0.00 -2.10 0.00 0.00 70.33 67.00 3fgt n THR 142 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3fgt n VAL 143 N -3.00 0.08 -0.31 2.28 0.24 -0.51 -4.74 118.33 112.37 3fgt n VAL 143 Ca -0.02 -0.54 0.08 0.00 -2.04 0.00 0.00 64.34 61.81 3fgt n VAL 143 Cb 0.09 1.07 0.18 0.00 -1.47 0.00 0.00 33.84 33.72 3fgt n VAL 143 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3fgt h VAL 144 N 1.16 0.13 0.00 3.34 3.04 -1.15 -0.65 116.25 122.13 3fgt h VAL 144 Ca 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 3fgt h VAL 144 Cb 0.28 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 29.66 3fgt h VAL 144 CO 0.00 0.01 -0.48 0.78 -1.01 0.00 0.00 177.57 176.86 3fgt h ASN 145 N 0.03 0.00 -1.41 3.17 2.35 -1.87 -3.44 115.58 114.41 3fgt h ASN 145 Ca 0.48 -0.07 -0.67 0.00 -0.55 0.00 0.00 56.30 55.49 3fgt h ASN 145 Cb 0.86 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.23 3fgt h ASN 145 CO -0.86 0.04 1.26 0.00 -1.65 0.00 0.00 177.43 176.22 3fgt n TYR 146 N -2.50 1.86 -3.89 1.19 9.36 -0.25 -0.41 117.16 122.51 3fgt n TYR 146 Ca 0.03 0.24 -0.28 0.00 3.32 0.00 0.00 57.90 61.21 3fgt n TYR 146 Cb 0.49 -2.56 0.02 0.00 -0.63 0.00 0.00 39.34 36.66 3fgt n TYR 146 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3fgt n GLY 148 N -1.67 -2.25 0.29 0.00 0.00 0.45 -4.85 105.19 97.17 3fgt n GLY 148 Ca -0.05 -1.48 0.15 0.00 0.00 0.00 0.00 46.02 44.63 3fgt n GLY 148 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fgt h PRO 149 N 0.00 0.00 -0.20 1.61 0.11 -1.93 -3.09 132.00 128.50 3fgt h PRO 149 Ca -0.01 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 3fgt h PRO 149 Cb 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 3fgt h PRO 149 CO 0.01 0.03 -0.02 1.19 -0.21 0.00 0.00 178.00 179.00 3fgt n PHE 150 N -3.76 0.71 -1.72 0.65 3.01 -1.26 -5.05 117.46 110.04 3fgt n PHE 150 Ca -0.03 -1.01 -0.42 0.00 1.01 0.00 0.00 57.45 57.00 3fgt n PHE 150 Cb 0.12 -0.29 -0.01 0.00 -0.01 0.00 0.00 39.48 39.29 3fgt n PHE 150 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3fgt n GLU 151 N -0.83 2.30 -0.03 -1.08 -0.58 -1.17 -4.94 120.64 114.32 3fgt n GLU 151 Ca 0.21 0.81 -0.15 0.00 -0.42 0.00 0.00 57.16 57.61 3fgt n GLU 151 Cb 0.84 -2.45 -0.10 0.00 -0.57 0.00 0.00 31.44 29.16 3fgt n GLU 151 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 3fgt h TYR 152 N 2.97 0.40 0.00 -0.32 3.20 -1.96 -3.38 116.97 117.88 3fgt h TYR 152 Ca -0.47 -0.18 -0.50 0.00 3.14 0.00 0.00 58.73 60.72 3fgt h TYR 152 Cb 1.27 -0.06 0.02 0.00 1.54 0.00 0.00 36.73 39.49 3fgt h TYR 152 CO 0.52 0.92 2.99 0.39 -1.64 0.00 0.00 178.16 181.34 3fgt n GLU 153 N -4.46 2.80 0.09 1.82 -0.58 -1.26 -4.56 120.64 114.48 3fgt n GLU 153 Ca -0.09 -1.75 -0.03 0.00 -0.42 0.00 0.00 57.16 54.87 3fgt n GLU 153 Cb 0.49 -2.57 0.19 0.00 -0.57 0.00 0.00 31.44 28.98 3fgt n GLU 153 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 3fgt h VAL 154 N 3.14 1.33 0.12 2.62 3.04 -1.99 0.10 116.25 124.63 3fgt h VAL 154 Ca 0.65 -1.67 0.02 0.00 -1.01 0.00 0.00 66.70 64.69 3fgt h VAL 154 Cb 0.29 1.78 -0.04 0.00 -2.01 0.00 0.00 31.29 31.31 3fgt h VAL 154 CO 1.52 0.50 -0.33 1.23 -1.01 0.00 0.00 177.57 179.47 3fgt h GLY 155 N 1.29 -0.64 0.94 3.17 0.00 -1.96 -0.38 103.07 105.49 3fgt h GLY 155 Ca 0.01 0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 3fgt h GLY 155 CO 0.07 -0.25 -0.01 -1.82 0.00 0.00 0.00 176.54 174.53 3fgt h TYR 156 N -0.56 -0.02 -0.73 5.60 3.20 -1.77 -2.38 116.97 120.31 3fgt h TYR 156 Ca 0.03 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3fgt h TYR 156 Cb 0.59 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 3fgt h TYR 156 CO -0.30 0.04 0.35 0.00 -1.64 0.00 0.00 178.16 176.62 3fgt h GLU 158 N 1.03 0.90 -0.83 0.00 4.57 -1.08 -0.48 114.58 118.69 3fgt h GLU 158 Ca 0.25 -0.39 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 3fgt h GLU 158 Cb 0.10 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 3fgt h GLU 158 CO -0.03 1.04 0.39 0.87 -1.18 0.00 0.00 179.01 180.10 3fgt h LYS 159 N 0.73 1.19 -0.12 1.92 1.57 -0.84 -0.61 116.57 120.41 3fgt h LYS 159 Ca 0.10 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3fgt h LYS 159 Cb 0.76 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 3fgt h LYS 159 CO 0.06 0.91 -0.10 1.25 -0.57 0.00 0.00 179.45 181.00 3fgt h LEU 160 N 1.18 0.29 -0.39 2.94 5.85 -0.61 0.10 115.31 124.68 3fgt h LEU 160 Ca 0.28 -0.47 0.06 0.00 0.84 0.00 0.00 57.88 58.59 3fgt h LEU 160 Cb 0.12 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 3fgt h LEU 160 CO -0.04 0.70 0.08 0.11 -0.34 0.00 0.00 178.44 178.96 3fgt h LYS 161 N -0.11 0.21 -0.23 1.25 1.57 -1.03 0.28 116.57 118.51 3fgt h LYS 161 Ca 0.02 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3fgt h LYS 161 Cb 0.61 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3fgt h LYS 161 CO 0.03 0.14 0.02 -0.91 -0.57 0.00 0.00 179.45 178.15 3fgt h ASN 162 N 0.21 -0.05 0.16 0.86 2.35 -0.98 -0.32 115.58 117.81 3fgt h ASN 162 Ca 0.18 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.99 3fgt h ASN 162 Cb 0.21 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 3fgt h ASN 162 CO -0.23 0.00 -0.17 0.15 -1.65 0.00 0.00 177.43 175.53 3fgt h PHE 163 N 0.10 -0.44 -0.37 1.19 3.57 -0.42 -0.69 116.94 119.87 3fgt h PHE 163 Ca 0.11 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3fgt h PHE 163 Cb 0.13 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3fgt h PHE 163 CO -0.17 -0.26 0.15 -0.07 -2.23 0.00 0.00 178.31 175.73 3fgt h LEU 164 N -0.36 0.50 -0.56 0.59 3.38 -0.33 0.68 115.31 119.22 3fgt h LEU 164 Ca 0.01 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.84 3fgt h LEU 164 Cb 0.35 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3fgt h LEU 164 CO -0.05 0.54 0.33 -0.33 0.09 0.00 0.00 178.44 179.02 3fgt h GLU 165 N 0.44 0.64 -0.64 1.13 5.08 -1.00 -0.14 114.58 120.09 3fgt h GLU 165 Ca 0.12 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3fgt h GLU 165 Cb 0.19 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3fgt h GLU 165 CO -0.01 0.42 0.20 0.00 -1.00 0.00 0.00 179.01 178.62 3fgt h ALA 166 N 1.25 0.84 -0.18 3.43 0.00 -0.94 -0.46 119.26 123.21 3fgt h ALA 166 Ca 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fgt h ALA 166 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3fgt h ALA 166 CO -0.11 0.51 0.10 -0.97 0.00 0.00 0.00 179.25 178.78 3fgt h ASN 167 N 0.92 0.22 -0.70 0.00 -1.24 -0.51 0.12 115.58 114.39 3fgt h ASN 167 Ca 0.21 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.09 3fgt h ASN 167 Cb 0.29 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 3fgt h ASN 167 CO -0.01 0.24 0.26 -0.07 -1.29 0.00 0.00 177.43 176.56 3fgt h LEU 168 N 0.18 0.98 -0.65 0.34 3.38 -0.93 -1.62 115.31 117.00 3fgt h LEU 168 Ca 0.06 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 3fgt h LEU 168 Cb 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3fgt h LEU 168 CO -0.01 0.90 -0.04 -0.08 0.09 0.00 0.00 178.44 179.30 3fgt h GLU 169 N 1.01 1.01 -0.73 1.13 4.57 -0.88 -1.39 114.58 119.30 3fgt h GLU 169 Ca 0.23 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3fgt h GLU 169 Cb 0.24 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 3fgt h GLU 169 CO -0.02 1.02 0.40 2.35 -1.18 0.00 0.00 179.01 181.58 3fgt h TRP 170 N 0.92 0.99 -0.36 0.92 7.01 -0.21 0.23 115.95 125.45 3fgt h TRP 170 Ca 0.16 -0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.04 3fgt h TRP 170 Cb 0.59 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 3fgt h TRP 170 CO 0.04 0.70 -0.15 0.52 -2.79 0.00 0.00 178.44 176.76 3fgt h MET 171 N 1.00 0.73 -0.15 2.65 2.86 -1.16 0.40 114.93 121.27 3fgt h MET 171 Ca 0.26 -0.31 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3fgt h MET 171 Cb 0.03 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3fgt h MET 171 CO -0.04 0.92 -0.02 1.96 1.06 0.00 0.00 176.91 180.78 3fgt h GLN 172 N 0.52 0.02 -0.28 1.72 1.08 -0.95 0.85 115.11 118.06 3fgt h GLN 172 Ca 0.08 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.32 3fgt h GLN 172 Cb 0.69 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.07 3fgt h GLN 172 CO 0.05 0.01 0.04 -0.09 -0.95 0.00 0.00 178.83 177.89 3fgt h ARG 173 N 0.02 0.13 -1.00 1.46 9.65 -0.42 -1.78 114.38 122.45 3fgt h ARG 173 Ca 0.07 -0.01 0.08 0.00 -1.10 0.00 0.00 59.98 59.02 3fgt h ARG 173 Cb 0.10 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.58 3fgt h ARG 173 CO -0.14 0.09 0.64 0.93 2.80 0.00 0.00 179.97 184.29 3fgt h GLU 174 N 0.14 1.08 -0.05 0.20 4.39 -0.55 -0.26 114.58 119.52 3fgt h GLU 174 Ca 0.13 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 3fgt h GLU 174 Cb 0.15 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 3fgt h GLU 174 CO -0.19 0.72 0.02 0.52 -1.16 0.00 0.00 179.01 178.92 3fgt h MET 175 N 1.11 0.08 -0.92 2.33 2.86 -0.41 -1.29 114.93 118.69 3fgt h MET 175 Ca 0.45 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 58.15 3fgt h MET 175 Cb 0.26 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.84 3fgt h MET 175 CO -0.19 0.22 0.59 0.93 1.06 0.00 0.00 176.91 179.52 3fgt h GLU 176 N -0.08 0.96 0.00 1.72 5.08 -1.07 -2.70 114.58 118.49 3fgt h GLU 176 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3fgt h GLU 176 Cb 0.17 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3fgt h GLU 176 CO -0.00 0.63 -0.07 1.28 -1.00 0.00 0.00 179.01 179.85 3fgt n LEU 177 N -4.51 0.52 -3.18 1.33 4.77 -0.13 -4.21 117.00 111.59 3fgt n LEU 177 Ca 0.15 0.50 -0.20 0.00 -0.03 0.00 0.00 56.01 56.42 3fgt n LEU 177 Cb 0.25 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 3fgt n LEU 177 CO 0.32 -0.10 -0.21 0.59 -1.33 0.00 0.00 177.39 176.66 3fgt n ASN 178 N -1.96 0.98 0.29 -1.43 3.02 -0.51 -4.94 115.26 110.72 3fgt n ASN 178 Ca 0.06 -2.98 0.19 0.00 -0.03 0.00 0.00 54.58 51.81 3fgt n ASN 178 Cb 0.40 -0.62 0.83 0.00 -0.61 0.00 0.00 39.78 39.77 3fgt n ASN 178 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3fgt h PRO 179 N 3.30 0.00 -0.01 3.52 0.13 -1.70 -2.63 132.00 134.61 3fgt h PRO 179 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3fgt h PRO 179 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3fgt h PRO 179 CO 0.52 0.01 -0.34 -0.25 -0.23 0.00 0.00 178.00 177.70 3fgt n ASP 180 N -3.10 1.18 -4.67 1.44 8.00 -1.26 -4.94 116.55 113.20 3fgt n ASP 180 Ca -0.00 -0.97 -0.43 0.00 0.71 0.00 0.00 54.79 54.10 3fgt n ASP 180 Cb 0.24 0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.55 3fgt n ASP 180 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3fgt s SER 181 N -2.55 6.96 0.14 -2.24 0.15 -0.99 -4.93 113.70 110.23 3fgt s SER 181 Ca 0.22 1.80 -0.20 0.00 0.70 0.00 0.00 55.95 58.47 3fgt s SER 181 Cb 0.19 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.96 3fgt s SER 181 CO 0.55 -0.71 1.68 -0.65 1.20 0.00 0.00 173.24 175.32 3fgt h PRO 182 N 7.98 -0.08 0.01 5.44 0.11 -1.92 -0.53 132.00 143.02 3fgt h PRO 182 Ca -0.31 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.84 3fgt h PRO 182 Cb 1.13 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 3fgt h PRO 182 CO 0.93 -0.05 -0.40 -0.92 -0.21 0.00 0.00 178.00 177.35 3fgt h TYR 183 N -0.08 -1.13 0.00 0.65 3.20 -1.97 0.21 116.97 117.84 3fgt h TYR 183 Ca 0.12 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 3fgt h TYR 183 Cb 0.27 0.50 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 3fgt h TYR 183 CO -0.28 -0.49 -0.31 -1.49 -1.64 0.00 0.00 178.16 173.95 3fgt h TRP 184 N -0.57 0.00 -0.27 -3.82 4.06 -1.89 -0.53 115.95 112.93 3fgt h TRP 184 Ca 0.05 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.99 3fgt h TRP 184 Cb 0.64 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.79 3fgt h TRP 184 CO -0.40 0.31 0.15 1.25 -3.56 0.00 0.00 178.44 176.19 3fgt h HIS 185 N 0.00 0.38 -0.46 0.49 2.76 -0.43 -0.43 115.15 117.46 3fgt h HIS 185 Ca -0.00 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 3fgt h HIS 185 Cb 0.68 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 3fgt h HIS 185 CO 0.00 0.32 -0.03 1.96 -1.30 0.00 0.00 177.93 178.88 3fgt h GLN 186 N 0.33 0.78 -0.63 5.26 1.08 0.27 -1.48 115.11 120.71 3fgt h GLN 186 Ca 0.10 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 3fgt h GLN 186 Cb 0.07 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 3fgt h GLN 186 CO -0.02 0.81 0.30 0.28 -0.95 0.00 0.00 178.83 179.25 3fgt h VAL 187 N 0.72 1.22 -0.69 -0.54 2.07 -1.04 -2.30 116.25 115.69 3fgt h VAL 187 Ca 0.14 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 3fgt h VAL 187 Cb 0.49 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3fgt h VAL 187 CO 0.02 0.26 0.16 -0.09 0.02 0.00 0.00 177.57 177.94 3fgt h ARG 188 N 0.87 1.12 -0.74 1.57 2.43 -0.52 -0.99 114.38 118.11 3fgt h ARG 188 Ca 0.22 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 3fgt h ARG 188 Cb 0.13 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3fgt h ARG 188 CO -0.03 0.99 0.32 -0.07 -1.51 0.00 0.00 179.97 179.68 3fgt h LEU 189 N 1.05 0.99 -0.36 3.80 3.38 -1.15 0.66 115.31 123.67 3fgt h LEU 189 Ca 0.22 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3fgt h LEU 189 Cb 0.38 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3fgt h LEU 189 CO 0.00 0.86 0.02 0.74 0.09 0.00 0.00 178.44 180.15 3fgt h THR 190 N 1.06 1.25 -0.01 0.22 2.02 -0.82 -1.52 112.91 115.12 3fgt h THR 190 Ca 0.25 -0.93 -0.13 0.00 0.77 0.00 0.00 66.41 66.36 3fgt h THR 190 Cb 0.16 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3fgt h THR 190 CO -0.03 0.31 -0.62 -0.07 0.37 0.00 0.00 175.52 175.49 3fgt h LEU 191 N 0.45 0.03 -0.46 2.58 3.38 -0.93 -1.93 115.31 118.43 3fgt h LEU 191 Ca 0.11 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3fgt h LEU 191 Cb 0.42 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3fgt h LEU 191 CO 0.01 0.64 0.11 -0.07 0.09 0.00 0.00 178.44 179.22 3fgt h LEU 192 N 0.02 0.70 -0.33 1.67 3.38 -0.73 0.98 115.31 121.00 3fgt h LEU 192 Ca -0.01 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.74 3fgt h LEU 192 Cb 1.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3fgt h LEU 192 CO 0.08 0.75 0.19 -0.61 0.09 0.00 0.00 178.44 178.94 3fgt h GLN 193 N 0.61 0.37 -0.12 1.13 4.15 -1.09 0.36 115.11 120.53 3fgt h GLN 193 Ca 0.14 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.57 3fgt h GLN 193 Cb 0.33 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 3fgt h GLN 193 CO 0.00 0.25 -0.08 1.25 -1.93 0.00 0.00 178.83 178.32 3fgt h LEU 194 N 0.38 -0.26 -0.51 -2.39 5.85 -1.17 -1.00 115.31 116.21 3fgt h LEU 194 Ca 0.13 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.97 3fgt h LEU 194 Cb 0.01 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3fgt h LEU 194 CO -0.06 -0.11 0.21 0.50 -0.34 0.00 0.00 178.44 178.64 3fgt h LYS 195 N -0.09 0.40 -0.68 1.25 3.11 -0.24 -1.57 116.57 118.76 3fgt h LYS 195 Ca 0.08 -0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.82 3fgt h LYS 195 Cb 0.20 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.31 3fgt h LYS 195 CO -0.18 0.27 0.14 0.78 -2.81 0.00 0.00 179.45 177.65 3fgt h GLY 196 N 0.41 1.18 0.93 5.01 0.00 -0.04 0.16 103.07 110.73 3fgt h GLY 196 Ca 0.24 -0.75 0.02 0.00 0.00 0.00 0.00 47.33 46.83 3fgt h GLY 196 CO -0.21 0.70 0.34 -2.00 0.00 0.00 0.00 176.54 175.37 3fgt h LEU 197 N 1.04 0.57 0.03 3.11 5.85 -0.82 0.19 115.31 125.28 3fgt h LEU 197 Ca 0.21 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 3fgt h LEU 197 Cb 0.39 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3fgt h LEU 197 CO 0.01 0.41 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.42 3fgt h GLU 198 N 0.69 -0.04 -0.68 1.25 4.81 -1.06 -2.34 114.58 117.21 3fgt h GLU 198 Ca 0.21 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.59 3fgt h GLU 198 Cb -0.02 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.26 3fgt h GLU 198 CO -0.07 0.58 0.10 -0.44 -0.73 0.00 0.00 179.01 178.45 3fgt h ASP 199 N -0.72 -0.11 -0.14 1.04 3.32 -0.65 -1.23 116.42 117.92 3fgt h ASP 199 Ca -0.00 0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 3fgt h ASP 199 Cb 0.64 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 3fgt h ASP 199 CO 0.01 -0.07 0.00 -1.28 -1.72 0.00 0.00 179.24 176.18 3fgt h SER 200 N 0.20 0.24 -0.86 6.45 0.87 -0.95 -1.47 113.55 118.03 3fgt h SER 200 Ca 0.37 -0.30 0.09 0.00 -1.23 0.00 0.00 61.79 60.72 3fgt h SER 200 Cb 0.62 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.45 3fgt h SER 200 CO -0.51 0.49 0.56 0.22 -0.53 0.00 0.00 176.83 177.05 3fgt h TYR 201 N -0.01 0.91 0.00 2.24 3.20 -1.00 0.19 116.97 122.49 3fgt h TYR 201 Ca 0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3fgt h TYR 201 Cb 0.36 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3fgt h TYR 201 CO 0.03 0.42 0.00 0.39 -1.64 0.00 0.00 178.16 177.37 3fgt n GLU 202 N -4.52 0.00 -1.20 1.82 1.02 -0.50 -4.92 120.64 112.33 3fgt n GLU 202 Ca 0.15 0.14 -0.02 0.00 -0.02 0.00 0.00 57.16 57.40 3fgt n GLU 202 Cb 0.31 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 3fgt n GLU 202 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fgt n GLY 203 N 0.69 0.52 2.65 0.62 0.00 0.66 -5.04 105.19 105.30 3fgt n GLY 203 Ca 0.05 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 3fgt n GLY 203 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fgt s ARG 204 N -2.46 0.09 -0.35 1.61 1.70 -0.62 -5.01 118.95 113.90 3fgt s ARG 204 Ca 0.00 0.03 -0.21 0.00 -0.47 0.00 0.00 55.73 55.08 3fgt s ARG 204 Cb 0.00 -1.57 0.00 0.00 -0.57 0.00 0.00 34.95 32.81 3fgt s ARG 204 CO 0.00 -0.64 0.65 -0.51 -1.08 0.00 0.00 175.30 173.72 3fgt s LEU 205 N 2.19 4.23 -0.30 -1.89 1.02 -1.26 -4.43 118.68 118.24 3fgt s LEU 205 Ca 0.03 0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.38 3fgt s LEU 205 Cb -0.16 -2.82 0.09 0.00 0.02 0.00 0.00 46.19 43.33 3fgt s LEU 205 CO -0.09 -0.60 0.07 -0.89 0.02 0.00 0.00 176.35 174.86 3fgt s THR 206 N 2.74 1.17 -0.22 5.49 2.01 -1.26 -4.96 115.64 120.62 3fgt s THR 206 Ca 0.25 -1.49 -0.29 0.00 0.31 0.00 0.00 61.69 60.47 3fgt s THR 206 Cb -0.14 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 3fgt s THR 206 CO 0.15 -0.57 1.28 0.12 -0.69 0.00 0.00 174.62 174.91 3fgt s PHE 207 N 1.48 2.78 0.02 4.92 5.36 -1.26 -5.00 117.98 126.29 3fgt s PHE 207 Ca 0.07 0.96 -0.27 0.00 -0.96 0.00 0.00 56.93 56.73 3fgt s PHE 207 Cb -0.18 -3.65 -0.04 0.00 -0.34 0.00 0.00 43.02 38.80 3fgt s PHE 207 CO -0.19 -1.71 0.87 -1.25 -1.46 0.00 0.00 175.22 171.49 3fgt s PRO 208 N 3.76 4.55 0.06 10.12 0.04 -1.26 -4.93 135.00 147.35 3fgt s PRO 208 Ca 0.55 1.24 0.19 0.00 0.04 0.00 0.00 61.00 63.02 3fgt s PRO 208 Cb -0.20 -3.41 -0.14 0.00 0.04 0.00 0.00 34.50 30.79 3fgt s PRO 208 CO 0.18 0.12 0.76 0.25 0.04 0.00 0.00 177.00 178.34 3fgt n THR 209 N 3.35 0.89 0.00 1.26 -2.24 -1.26 -4.95 114.28 111.32 3fgt n THR 209 Ca 0.02 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3fgt n THR 209 Cb 0.50 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3fgt n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fgt n GLY 210 N 1.35 2.71 3.81 3.38 0.00 -1.26 -5.12 105.19 110.05 3fgt n GLY 210 Ca -0.08 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 3fgt n GLY 210 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fgt s ARG 211 N 4.23 3.95 0.09 1.61 1.70 -1.26 -5.06 118.95 124.20 3fgt s ARG 211 Ca 0.00 1.24 -0.04 0.00 -0.47 0.00 0.00 55.73 56.46 3fgt s ARG 211 Cb 0.00 -2.13 -0.02 0.00 -0.57 0.00 0.00 34.95 32.23 3fgt s ARG 211 CO 0.00 -0.29 0.09 -0.59 -1.08 0.00 0.00 175.30 173.43 3fgt s PHE 212 N -2.11 0.44 -0.17 5.89 -0.12 -1.26 -5.00 117.98 115.66 3fgt s PHE 212 Ca 0.65 -0.91 -0.04 0.00 -0.05 0.00 0.00 56.93 56.58 3fgt s PHE 212 Cb -0.13 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 41.97 3fgt s PHE 212 CO 0.19 -0.49 -0.03 0.99 -0.05 0.00 0.00 175.22 175.82 3fgt s THR 213 N -3.93 3.90 -0.19 -4.49 2.01 -1.26 -4.98 115.64 106.70 3fgt s THR 213 Ca 0.10 -0.35 -0.11 0.00 0.31 0.00 0.00 61.69 61.64 3fgt s THR 213 Cb 0.06 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 3fgt s THR 213 CO -0.07 0.48 0.19 -0.63 -0.69 0.00 0.00 174.62 173.89 3fgt s ILE 214 N 0.53 5.37 0.13 1.82 -1.09 -1.26 -5.05 121.20 121.65 3fgt s ILE 214 Ca -0.03 0.31 -0.31 0.00 -2.23 0.00 0.00 60.65 58.40 3fgt s ILE 214 Cb -0.14 -3.53 -0.10 0.00 -1.58 0.00 0.00 42.46 37.11 3fgt s ILE 214 CO 0.03 0.42 1.72 -0.54 -1.23 0.00 0.00 174.94 175.33 3fgt s LYS 215 N 0.43 4.16 0.35 2.79 1.02 -1.26 -4.90 119.74 122.34 3fgt s LYS 215 Ca 0.11 2.49 0.04 0.00 0.02 0.00 0.00 55.97 58.62 3fgt s LYS 215 Cb -0.12 -3.44 0.65 0.00 -0.52 0.00 0.00 37.83 34.40 3fgt s LYS 215 CO 0.00 -0.76 1.94 -1.35 -0.92 0.00 0.00 175.35 174.26 3fgt h PRO 216 N 7.94 0.62 -0.09 -1.68 0.11 -1.94 -2.95 132.00 134.01 3fgt h PRO 216 Ca -0.44 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3fgt h PRO 216 Cb 1.21 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3fgt h PRO 216 CO 0.94 0.53 -0.32 1.28 -0.21 0.00 0.00 178.00 180.22 3fgt n LEU 217 N -4.35 3.03 0.00 2.35 4.77 -1.26 -4.20 117.00 117.34 3fgt n LEU 217 Ca 0.03 -3.74 0.00 0.00 -0.03 0.00 0.00 56.01 52.27 3fgt n LEU 217 Cb 0.16 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3fgt n LEU 217 CO 0.38 1.26 0.00 0.61 -1.33 0.00 0.00 177.39 178.31 3fgt n GLY 218 N -1.14 1.18 0.22 -0.72 0.00 -1.11 -4.76 105.19 98.86 3fgt n GLY 218 Ca 0.22 -1.01 0.15 0.00 0.00 0.00 0.00 46.02 45.38 3fgt n GLY 218 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3fgt h PHE 219 N 0.00 0.00 -1.00 1.61 0.04 -1.91 0.15 116.94 115.82 3fgt h PHE 219 Ca 0.00 0.00 0.21 0.00 2.80 0.00 0.00 57.97 60.98 3fgt h PHE 219 Cb 0.00 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.04 3fgt h PHE 219 CO 0.00 0.00 0.61 1.25 -0.60 0.00 0.00 178.31 179.57 3fgt h LEU 220 N 0.00 0.73 -1.66 1.54 5.85 -1.83 -0.68 115.31 119.26 3fgt h LEU 220 Ca 0.00 0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.97 3fgt h LEU 220 Cb 0.21 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3fgt h LEU 220 CO 0.00 0.21 0.48 0.25 -0.34 0.00 0.00 178.44 179.03 3fgt h LEU 221 N 0.68 0.32 -0.82 2.25 5.85 -1.12 0.20 115.31 122.67 3fgt h LEU 221 Ca 0.60 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.33 3fgt h LEU 221 Cb 1.04 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 3fgt h LEU 221 CO -0.41 0.17 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.74 3fgt h LEU 222 N 0.35 0.00 0.00 2.25 3.38 -1.29 -3.20 115.31 116.79 3fgt h LEU 222 Ca 0.34 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.14 3fgt h LEU 222 Cb 0.85 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 3fgt h LEU 222 CO -0.09 0.05 -1.31 1.56 0.09 0.00 0.00 178.44 178.74 3fgt h GLN 223 N 0.00 0.00 -0.48 1.13 1.08 -0.94 -3.39 115.11 112.51 3fgt h GLN 223 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3fgt h GLN 223 Cb 0.76 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 3fgt h GLN 223 CO 0.01 0.34 0.00 0.44 -0.95 0.00 0.00 178.83 178.67 3fgt n ILE 224 N -2.95 1.68 -0.30 2.54 -5.35 -0.94 -4.57 119.36 109.46 3fgt n ILE 224 Ca -0.08 -1.29 0.04 0.00 -0.27 0.00 0.00 62.75 61.15 3fgt n ILE 224 Cb 0.84 0.16 0.19 0.00 -1.74 0.00 0.00 39.64 39.09 3fgt n ILE 224 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3fgt h SER 225 N 3.01 0.64 0.17 7.28 4.64 -1.76 0.31 113.55 127.84 3fgt h SER 225 Ca 0.00 0.06 -0.21 0.00 -0.47 0.00 0.00 61.79 61.18 3fgt h SER 225 Cb 1.24 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3fgt h SER 225 CO 0.16 0.34 -0.80 1.23 -0.87 0.00 0.00 176.83 176.88 3fgt h GLY 226 N 0.75 0.56 1.29 -0.77 0.00 -1.94 -3.13 103.07 99.84 3fgt h GLY 226 Ca 0.42 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3fgt h GLY 226 CO -0.28 0.75 0.37 -0.55 0.00 0.00 0.00 176.54 176.82 3fgt h ASP 227 N 0.33 0.83 0.26 0.19 3.32 -1.56 -2.99 116.42 116.81 3fgt h ASP 227 Ca -0.05 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 3fgt h ASP 227 Cb 1.40 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 3fgt h ASP 227 CO 0.15 0.68 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.98 3fgt h LEU 228 N 0.94 0.05 -2.00 1.55 3.38 -0.37 -0.47 115.31 118.40 3fgt h LEU 228 Ca 0.24 -0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.41 3fgt h LEU 228 Cb 0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3fgt h LEU 228 CO -0.04 0.34 0.54 -0.33 0.09 0.00 0.00 178.44 179.05 3fgt h GLU 229 N 0.05 0.00 0.00 1.13 5.08 -1.50 0.22 114.58 119.55 3fgt h GLU 229 Ca 0.01 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 3fgt h GLU 229 Cb 0.54 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 3fgt h GLU 229 CO 0.04 0.00 -1.96 -0.25 -1.00 0.00 0.00 179.01 175.84 3fgt n ASP 230 N -4.26 1.82 -0.15 1.42 8.00 -0.82 -4.34 116.55 118.22 3fgt n ASP 230 Ca 0.15 -0.02 -0.06 0.00 0.71 0.00 0.00 54.79 55.57 3fgt n ASP 230 Cb 0.82 0.60 0.03 0.00 -0.02 0.00 0.00 41.12 42.55 3fgt n ASP 230 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3fgt h LEU 231 N 0.00 0.43 -0.02 0.64 3.38 -0.76 -1.45 115.31 117.52 3fgt h LEU 231 Ca -0.38 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.61 3fgt h LEU 231 Cb 1.80 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.44 3fgt h LEU 231 CO 0.00 0.30 -0.25 -0.33 0.09 0.00 0.00 178.44 178.25 3fgt h GLU 232 N 0.54 -0.29 -0.41 1.13 5.08 -0.79 0.17 114.58 120.01 3fgt h GLU 232 Ca 0.19 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3fgt h GLU 232 Cb 0.04 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3fgt h GLU 232 CO -0.10 -0.19 0.20 -1.00 -1.00 0.00 0.00 179.01 176.91 3fgt h PRO 233 N -0.30 0.56 0.00 2.33 0.13 -1.75 -1.11 132.00 131.86 3fgt h PRO 233 Ca 0.01 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 3fgt h PRO 233 Cb 0.33 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.34 3fgt h PRO 233 CO -0.18 0.44 -0.13 0.00 -0.23 0.00 0.00 178.00 177.90 3fgt h ALA 234 N 1.65 1.32 -0.43 -0.56 0.00 -0.88 -1.76 119.26 118.61 3fgt h ALA 234 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fgt h ALA 234 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3fgt h ALA 234 CO -0.02 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.67 3fgt n LEU 235 N -3.70 4.86 -3.66 0.00 4.77 0.01 -4.96 117.00 114.32 3fgt n LEU 235 Ca -0.02 -2.97 -0.25 0.00 -0.03 0.00 0.00 56.01 52.74 3fgt n LEU 235 Cb 0.24 -0.62 0.07 0.00 -2.33 0.00 0.00 43.42 40.79 3fgt n LEU 235 CO 0.31 0.65 0.22 0.59 -1.33 0.00 0.00 177.39 177.83 3fgt n ASN 236 N 0.10 -5.96 -4.73 -1.43 3.02 -0.66 -4.77 115.26 100.83 3fgt n ASN 236 Ca 0.25 -0.59 -0.41 0.00 -0.03 0.00 0.00 54.58 53.79 3fgt n ASN 236 Cb 1.05 -4.80 -0.04 0.00 -0.61 0.00 0.00 39.78 35.39 3fgt n ASN 236 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3fgt s LYS 237 N -6.36 4.54 -0.13 3.52 2.20 -0.46 -4.91 119.74 118.15 3fgt s LYS 237 Ca 0.59 1.69 -0.20 0.00 -0.36 0.00 0.00 55.97 57.69 3fgt s LYS 237 Cb -0.27 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 3fgt s LYS 237 CO 0.75 -0.05 0.54 0.95 -0.36 0.00 0.00 175.35 177.19 3fgt s THR 238 N 0.37 5.13 -0.50 3.43 -4.23 -1.26 -4.58 115.64 113.99 3fgt s THR 238 Ca 0.53 1.08 0.00 0.00 -1.18 0.00 0.00 61.69 62.11 3fgt s THR 238 Cb -0.28 -3.88 0.00 0.00 1.34 0.00 0.00 72.50 69.68 3fgt s THR 238 CO 0.32 0.27 0.13 0.59 -0.54 0.00 0.00 174.62 175.38