#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fgg s THR 76 N 0.00 4.30 -0.22 1.12 2.01 -1.26 -4.91 115.64 116.67 1fgg s THR 76 Ca 0.00 2.04 -0.09 0.00 0.31 0.00 0.00 61.69 63.95 1fgg s THR 76 Cb 0.00 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 1fgg s THR 76 CO 0.00 0.37 0.10 -0.63 -0.69 0.00 0.00 174.62 173.78 1fgg s ILE 77 N -0.42 4.88 -0.37 1.82 1.01 -0.43 -1.98 121.20 125.71 1fgg s ILE 77 Ca 0.45 0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.99 1fgg s ILE 77 Cb -0.25 -3.25 0.01 0.00 0.01 0.00 0.00 42.46 38.98 1fgg s ILE 77 CO 0.31 0.38 0.23 -0.31 0.00 0.00 0.00 174.94 175.55 1fgg s TYR 78 N 1.01 3.23 -0.41 3.97 1.51 0.45 -0.71 117.35 126.40 1fgg s TYR 78 Ca 0.05 -0.62 -0.19 0.00 -1.01 0.00 0.00 57.07 55.31 1fgg s TYR 78 Cb -0.14 -2.48 0.02 0.00 -0.11 0.00 0.00 41.96 39.25 1fgg s TYR 78 CO 0.03 -0.54 0.52 0.08 -1.11 0.00 0.00 175.55 174.54 1fgg s VAL 79 N 1.64 4.99 -0.34 0.71 1.01 -0.71 -0.79 120.40 126.91 1fgg s VAL 79 Ca 0.04 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 1fgg s VAL 79 Cb -0.18 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 1fgg s VAL 79 CO 0.08 -0.44 0.66 -0.69 0.00 0.00 0.00 175.10 174.72 1fgg s VAL 80 N 2.42 4.88 -0.23 2.92 1.01 0.12 -0.75 120.40 130.77 1fgg s VAL 80 Ca 0.17 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1fgg s VAL 80 Cb -0.16 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.21 1fgg s VAL 80 CO 0.15 -0.27 -0.03 -0.89 0.00 0.00 0.00 175.10 174.06 1fgg s THR 81 N 2.74 1.35 0.23 3.92 2.01 -0.70 -0.86 115.64 124.32 1fgg s THR 81 Ca 0.26 -1.15 -0.25 0.00 0.31 0.00 0.00 61.69 60.86 1fgg s THR 81 Cb -0.14 -1.68 -0.09 0.00 0.01 0.00 0.00 72.50 70.60 1fgg s THR 81 CO 0.14 -0.16 0.83 -2.16 -0.69 0.00 0.00 174.62 172.58 1fgg s PRO 82 N 1.47 4.54 0.04 4.92 0.04 -1.26 -1.38 135.00 143.37 1fgg s PRO 82 Ca -0.04 1.18 -0.07 0.00 0.04 0.00 0.00 61.00 62.11 1fgg s PRO 82 Cb -0.18 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 1fgg s PRO 82 CO -0.07 0.45 0.12 -0.08 0.04 0.00 0.00 177.00 177.46 1fgg s THR 83 N -1.36 0.13 0.04 1.26 -1.32 -0.41 -4.00 115.64 109.98 1fgg s THR 83 Ca 0.42 -1.07 -0.10 0.00 -1.21 0.00 0.00 61.69 59.73 1fgg s THR 83 Cb -0.21 -0.95 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1fgg s THR 83 CO 0.25 -0.59 0.20 -0.72 -2.21 0.00 0.00 174.62 171.55 1fgg s TYR 84 N -2.73 0.05 0.15 9.09 -0.85 -1.26 -0.32 117.35 121.48 1fgg s TYR 84 Ca -0.04 -0.28 -0.30 0.00 -0.52 0.00 0.00 57.07 55.93 1fgg s TYR 84 Cb -0.00 -0.02 -0.08 0.00 0.38 0.00 0.00 41.96 42.24 1fgg s TYR 84 CO -0.05 -0.44 1.24 0.00 -1.52 0.00 0.00 175.55 174.78 1fgg s ALA 85 N -2.65 3.46 0.03 9.51 0.00 -1.26 -4.76 121.76 126.09 1fgg s ALA 85 Ca -0.04 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 1fgg s ALA 85 Cb -0.01 -3.45 0.10 0.00 0.00 0.00 0.00 23.12 19.76 1fgg s ALA 85 CO -0.04 -0.45 1.10 -0.98 0.00 0.00 0.00 175.76 175.39 1fgg s ARG 86 N 0.29 0.75 0.21 0.00 3.03 -1.26 -5.02 118.95 116.95 1fgg s ARG 86 Ca 0.57 -0.39 -0.15 0.00 2.03 0.00 0.00 55.73 57.78 1fgg s ARG 86 Cb -0.33 0.27 0.21 0.00 -1.03 0.00 0.00 34.95 34.08 1fgg s ARG 86 CO 0.34 -0.34 1.62 -0.07 -1.13 0.00 0.00 175.30 175.72 1fgg h LEU 87 N 2.00 -0.72 -0.36 -1.89 3.38 -1.94 -1.99 115.31 113.79 1fgg h LEU 87 Ca -0.25 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1fgg h LEU 87 Cb 1.21 0.43 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1fgg h LEU 87 CO 0.27 -0.24 0.00 1.33 0.09 0.00 0.00 178.44 179.89 1fgg n VAL 88 N -5.44 0.04 -0.01 1.22 0.24 -1.26 -4.47 118.33 108.66 1fgg n VAL 88 Ca 0.07 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 62.15 1fgg n VAL 88 Cb 0.34 -0.10 -0.06 0.00 -1.47 0.00 0.00 33.84 32.55 1fgg n VAL 88 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1fgg h GLN 89 N 0.77 -0.45 -0.92 7.34 4.15 -1.66 -0.70 115.11 123.64 1fgg h GLN 89 Ca 0.00 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1fgg h GLN 89 Cb 0.17 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 1fgg h GLN 89 CO 0.00 -0.30 0.56 -0.22 -1.93 0.00 0.00 178.83 176.94 1fgg h LYS 90 N -0.47 1.25 -0.69 1.69 3.64 -1.81 0.12 116.57 120.31 1fgg h LYS 90 Ca 0.08 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1fgg h LYS 90 Cb 0.61 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1fgg h LYS 90 CO -0.40 0.88 0.44 0.00 -2.27 0.00 0.00 179.45 178.09 1fgg h ALA 91 N 1.34 0.87 -0.51 5.00 0.00 -1.75 0.17 119.26 124.37 1fgg h ALA 91 Ca 0.33 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1fgg h ALA 91 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1fgg h ALA 91 CO -0.06 0.32 0.14 0.93 0.00 0.00 0.00 179.25 180.58 1fgg h GLU 92 N 0.93 0.82 -0.05 0.00 4.39 -0.24 -2.41 114.58 118.03 1fgg h GLU 92 Ca 0.25 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 59.63 1fgg h GLU 92 Cb -0.07 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 1fgg h GLU 92 CO -0.05 0.77 -0.56 -0.07 -1.16 0.00 0.00 179.01 177.95 1fgg h LEU 93 N 0.71 0.15 0.51 1.33 3.38 -0.64 -2.01 115.31 118.74 1fgg h LEU 93 Ca 0.16 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1fgg h LEU 93 Cb 0.32 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1fgg h LEU 93 CO -0.00 0.68 -0.25 0.58 0.09 0.00 0.00 178.44 179.54 1fgg h VAL 94 N 0.11 0.43 -0.18 1.22 2.07 -0.46 0.16 116.25 119.60 1fgg h VAL 94 Ca -0.00 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1fgg h VAL 94 Cb 1.02 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1fgg h VAL 94 CO 0.08 0.05 -0.22 0.08 0.02 0.00 0.00 177.57 177.57 1fgg h ARG 95 N -0.90 0.31 -0.01 1.57 0.11 -1.48 -0.28 114.38 113.71 1fgg h ARG 95 Ca -0.07 -0.10 -0.01 0.00 0.10 0.00 0.00 59.98 59.90 1fgg h ARG 95 Cb 0.60 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.65 1fgg h ARG 95 CO 0.12 0.53 -0.02 1.25 0.10 0.00 0.00 179.97 181.94 1fgg h LEU 96 N 0.29 0.04 -1.37 0.08 5.85 -1.35 -1.64 115.31 117.19 1fgg h LEU 96 Ca 0.05 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1fgg h LEU 96 Cb 0.56 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1fgg h LEU 96 CO 0.04 0.55 0.33 0.77 -0.34 0.00 0.00 178.44 179.79 1fgg h SER 97 N -0.47 0.67 0.07 1.25 4.64 -0.54 0.60 113.55 119.77 1fgg h SER 97 Ca 0.00 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 1fgg h SER 97 Cb 0.54 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1fgg h SER 97 CO 0.00 0.52 -0.32 1.56 -0.87 0.00 0.00 176.83 177.72 1fgg h GLN 98 N 0.77 0.38 -0.27 4.77 4.20 -0.99 -1.60 115.11 122.37 1fgg h GLN 98 Ca 0.20 -0.16 -0.16 0.00 0.06 0.00 0.00 58.65 58.60 1fgg h GLN 98 Cb -0.02 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1fgg h GLN 98 CO -0.04 0.66 -0.44 1.15 -0.67 0.00 0.00 178.83 179.50 1fgg h THR 99 N 0.33 1.29 0.00 -0.54 2.02 -0.22 -3.12 112.91 112.67 1fgg h THR 99 Ca 0.04 -1.63 -0.03 0.00 0.77 0.00 0.00 66.41 65.57 1fgg h THR 99 Cb 0.73 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1fgg h THR 99 CO 0.06 0.52 -0.12 -0.07 0.37 0.00 0.00 175.52 176.28 1fgg h LEU 100 N 0.53 0.00 0.00 2.58 3.38 -0.56 -2.23 115.31 119.01 1fgg h LEU 100 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1fgg h LEU 100 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1fgg h LEU 100 CO 0.10 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.21 1fgg n SER 101 N -3.72 0.00 0.04 -0.43 3.41 -0.63 -2.07 113.62 110.22 1fgg n SER 101 Ca -0.02 0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.85 1fgg n SER 101 Cb 0.23 -0.33 0.16 0.00 -0.26 0.00 0.00 64.21 64.01 1fgg n SER 101 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1fgg n LEU 102 N -1.33 0.64 -4.65 1.04 4.77 -0.84 -4.86 117.00 111.77 1fgg n LEU 102 Ca 0.07 0.15 -0.37 0.00 -0.03 0.00 0.00 56.01 55.83 1fgg n LEU 102 Cb 0.15 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 1fgg n LEU 102 CO 0.14 -0.01 -0.15 -0.69 -1.33 0.00 0.00 177.39 175.35 1fgg s VAL 103 N -3.15 5.34 0.52 4.08 1.01 -0.88 -5.09 120.40 122.24 1fgg s VAL 103 Ca 0.07 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 1fgg s VAL 103 Cb 0.14 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.93 1fgg s VAL 103 CO 0.73 0.32 0.99 -2.16 0.00 0.00 0.00 175.10 174.99 1fgg s PRO 104 N 1.18 3.88 -1.18 2.72 0.04 -1.26 -4.16 135.00 136.23 1fgg s PRO 104 Ca 0.08 0.99 -0.11 0.00 0.04 0.00 0.00 61.00 62.00 1fgg s PRO 104 Cb -0.14 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1fgg s PRO 104 CO 0.06 -0.33 0.78 0.54 0.04 0.00 0.00 177.00 178.09 1fgg n ARG 105 N -1.61 -2.62 -4.29 4.56 1.74 -1.26 -4.83 116.66 108.34 1fgg n ARG 105 Ca 0.07 0.60 -0.25 0.00 -0.77 0.00 0.00 57.85 57.50 1fgg n ARG 105 Cb 0.54 -4.84 -0.17 0.00 -1.02 0.00 0.00 32.46 26.97 1fgg n ARG 105 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1fgg s LEU 106 N -6.30 1.43 -0.28 0.55 0.20 -1.26 -1.32 118.68 111.70 1fgg s LEU 106 Ca 0.32 -0.27 -0.02 0.00 0.69 0.00 0.00 54.13 54.84 1fgg s LEU 106 Cb -0.09 -0.76 0.04 0.00 -0.43 0.00 0.00 46.19 44.95 1fgg s LEU 106 CO 0.82 -0.03 -0.01 -2.28 -0.29 0.00 0.00 176.35 174.56 1fgg s HIS 107 N 1.05 3.18 -0.27 5.38 5.65 0.11 -4.20 115.29 126.20 1fgg s HIS 107 Ca -0.08 -1.67 -0.23 0.00 0.25 0.00 0.00 55.06 53.33 1fgg s HIS 107 Cb -0.14 -2.11 -0.00 0.00 -1.18 0.00 0.00 32.58 29.14 1fgg s HIS 107 CO -0.01 -0.76 0.78 -0.46 -0.65 0.00 0.00 174.74 173.65 1fgg s TRP 108 N 1.31 3.25 -0.78 3.88 -0.00 -0.38 -1.74 118.94 124.48 1fgg s TRP 108 Ca -0.03 0.94 -0.12 0.00 -0.00 0.00 0.00 56.10 56.90 1fgg s TRP 108 Cb -0.18 -3.11 0.20 0.00 -0.00 0.00 0.00 33.47 30.38 1fgg s TRP 108 CO -0.02 -0.47 0.69 -0.51 -0.00 0.00 0.00 176.95 176.65 1fgg s LEU 109 N 2.86 6.46 -0.32 5.86 1.43 0.07 -1.42 118.68 133.62 1fgg s LEU 109 Ca 0.33 -2.67 -0.21 0.00 -1.03 0.00 0.00 54.13 50.55 1fgg s LEU 109 Cb -0.15 -2.15 -0.00 0.00 0.03 0.00 0.00 46.19 43.92 1fgg s LEU 109 CO 0.10 -0.55 0.66 -0.22 0.23 0.00 0.00 176.35 176.57 1fgg s LEU 110 N 0.20 4.16 -0.33 1.79 2.96 -0.97 -1.73 118.68 124.75 1fgg s LEU 110 Ca 0.17 0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 54.42 1fgg s LEU 110 Cb -0.13 -2.85 0.04 0.00 0.50 0.00 0.00 46.19 43.74 1fgg s LEU 110 CO -0.07 -0.53 0.10 -0.69 -1.32 0.00 0.00 176.35 173.84 1fgg s VAL 111 N 2.70 3.77 0.13 1.68 1.01 -0.48 -0.61 120.40 128.59 1fgg s VAL 111 Ca 0.26 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 1fgg s VAL 111 Cb -0.15 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 1fgg s VAL 111 CO 0.13 -0.16 0.95 -1.61 0.00 0.00 0.00 175.10 174.41 1fgg s GLU 112 N 1.40 4.72 -1.23 2.72 2.02 -0.05 -1.29 118.70 127.00 1fgg s GLU 112 Ca -0.02 1.45 -0.10 0.00 0.02 0.00 0.00 54.97 56.32 1fgg s GLU 112 Cb -0.19 -3.36 0.19 0.00 0.10 0.00 0.00 34.13 30.87 1fgg s GLU 112 CO 0.03 0.27 1.64 -3.47 0.02 0.00 0.00 175.26 173.75 1fgg n ASP 113 N 2.54 5.28 -4.07 -0.19 -0.08 0.57 -1.78 116.55 118.82 1fgg n ASP 113 Ca 0.01 -3.09 -0.11 0.00 -1.51 0.00 0.00 54.79 50.10 1fgg n ASP 113 Cb 0.49 -1.49 -0.08 0.00 2.34 0.00 0.00 41.12 42.38 1fgg n ASP 113 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fgg s ALA 114 N 0.42 0.59 0.32 -1.67 0.00 -1.21 -4.69 121.76 115.53 1fgg s ALA 114 Ca 0.39 -1.36 0.08 0.00 0.00 0.00 0.00 51.96 51.07 1fgg s ALA 114 Cb 0.04 1.25 0.56 0.00 0.00 0.00 0.00 23.12 24.97 1fgg s ALA 114 CO 0.01 -0.71 1.77 0.93 0.00 0.00 0.00 175.76 177.76 1fgg h GLU 115 N 2.44 0.22 -2.84 0.00 5.08 -1.91 -3.32 114.58 114.26 1fgg h GLU 115 Ca -0.31 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.01 1fgg h GLU 115 Cb 1.25 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1fgg h GLU 115 CO 0.45 0.54 0.36 0.20 -1.00 0.00 0.00 179.01 179.56 1fgg s GLY 116 N -4.18 0.21 0.27 -3.84 0.00 -1.26 -4.98 107.32 93.54 1fgg s GLY 116 Ca -0.05 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 43.84 1fgg s GLY 116 CO 0.76 0.41 1.46 2.56 0.00 0.00 0.00 173.10 178.28 1fgg s PRO 117 N -2.54 4.24 0.14 2.90 0.04 -1.26 -5.01 135.00 133.51 1fgg s PRO 117 Ca 0.16 2.36 -0.03 0.00 0.04 0.00 0.00 61.00 63.53 1fgg s PRO 117 Cb -0.04 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 1fgg s PRO 117 CO 0.09 -0.44 0.35 0.95 0.04 0.00 0.00 177.00 177.98 1fgg s THR 118 N -0.19 5.22 0.22 1.26 -4.23 -1.26 -5.00 115.64 111.67 1fgg s THR 118 Ca 0.59 -0.16 -0.08 0.00 -1.18 0.00 0.00 61.69 60.86 1fgg s THR 118 Cb -0.43 -3.65 0.17 0.00 1.34 0.00 0.00 72.50 69.93 1fgg s THR 118 CO 0.46 -0.00 1.82 -0.65 -0.54 0.00 0.00 174.62 175.71 1fgg h PRO 119 N 2.65 0.76 0.05 3.99 0.11 -1.99 -1.33 132.00 136.24 1fgg h PRO 119 Ca -0.46 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.63 1fgg h PRO 119 Cb 1.17 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 1fgg h PRO 119 CO 0.72 0.50 -0.29 1.25 -0.21 0.00 0.00 178.00 179.97 1fgg h LEU 120 N 0.78 -0.85 -0.25 2.35 6.46 -1.99 0.13 115.31 121.94 1fgg h LEU 120 Ca 0.33 0.11 -0.09 0.00 -0.12 0.00 0.00 57.88 58.11 1fgg h LEU 120 Cb 0.20 0.34 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 1fgg h LEU 120 CO -0.19 -0.36 -0.19 0.58 -0.62 0.00 0.00 178.44 177.66 1fgg h VAL 121 N -0.46 1.31 -0.82 1.05 2.07 -1.94 -1.70 116.25 115.75 1fgg h VAL 121 Ca 0.05 -1.32 0.04 0.00 0.82 0.00 0.00 66.70 66.28 1fgg h VAL 121 Cb 0.53 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 1fgg h VAL 121 CO -0.22 0.41 0.52 0.28 0.02 0.00 0.00 177.57 178.59 1fgg h SER 122 N 0.30 0.85 -0.53 0.57 0.02 -1.11 -0.90 113.55 112.74 1fgg h SER 122 Ca 0.05 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 1fgg h SER 122 Cb 0.73 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1fgg h SER 122 CO 0.05 0.58 -0.01 1.23 -1.14 0.00 0.00 176.83 177.54 1fgg h GLY 123 N 1.00 1.02 1.00 -3.77 0.00 -0.66 -1.93 103.07 99.73 1fgg h GLY 123 Ca 0.33 -0.76 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 1fgg h GLY 123 CO -0.12 0.70 0.04 -2.00 0.00 0.00 0.00 176.54 175.15 1fgg h LEU 124 N 0.82 0.84 0.15 3.11 6.46 -0.79 -2.32 115.31 123.58 1fgg h LEU 124 Ca 0.15 -0.29 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1fgg h LEU 124 Cb 0.54 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1fgg h LEU 124 CO 0.03 0.91 -0.07 -0.07 -0.62 0.00 0.00 178.44 178.62 1fgg h LEU 125 N 0.73 -0.17 -1.20 2.25 3.38 -1.12 0.15 115.31 119.34 1fgg h LEU 125 Ca 0.15 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.13 1fgg h LEU 125 Cb 0.46 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1fgg h LEU 125 CO 0.02 -0.00 0.58 0.00 0.09 0.00 0.00 178.44 179.13 1fgg h ALA 126 N 0.51 1.68 0.00 1.53 0.00 -1.32 -1.77 119.26 119.90 1fgg h ALA 126 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fgg h ALA 126 Cb 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1fgg h ALA 126 CO 0.03 0.11 -0.37 0.00 0.00 0.00 0.00 179.25 179.02 1fgg n ALA 127 N -2.41 2.74 0.04 0.00 0.00 -0.88 -4.12 120.51 115.88 1fgg n ALA 127 Ca 0.16 -0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.44 1fgg n ALA 127 Cb 0.37 -1.28 0.34 0.00 0.00 0.00 0.00 19.45 18.87 1fgg n ALA 127 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fgg h SER 128 N 0.00 0.41 0.00 0.00 4.64 -0.02 -3.46 113.55 115.11 1fgg h SER 128 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1fgg h SER 128 Cb 0.70 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1fgg h SER 128 CO 0.00 0.48 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 1fgg n GLY 129 N -0.94 0.66 3.93 -0.77 0.00 -1.25 -5.00 105.19 101.81 1fgg n GLY 129 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1fgg n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fgg s LEU 130 N 0.00 3.90 -0.10 0.99 1.43 -1.26 -5.05 118.68 118.59 1fgg s LEU 130 Ca 0.00 0.62 -0.28 0.00 -1.03 0.00 0.00 54.13 53.43 1fgg s LEU 130 Cb 0.00 -3.50 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 1fgg s LEU 130 CO 0.00 -0.37 0.95 -0.22 0.23 0.00 0.00 176.35 176.94 1fgg s LEU 131 N -4.37 4.25 0.26 1.79 2.96 -1.26 -5.00 118.68 117.31 1fgg s LEU 131 Ca 0.43 1.46 -0.13 0.00 -0.22 0.00 0.00 54.13 55.66 1fgg s LEU 131 Cb -0.10 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 43.13 1fgg s LEU 131 CO 0.38 -0.40 0.52 0.72 -1.32 0.00 0.00 176.35 176.25 1fgg s PHE 132 N 1.84 0.34 -0.03 5.38 -0.12 -1.26 -1.25 117.98 122.88 1fgg s PHE 132 Ca 0.46 -0.72 -0.01 0.00 -0.05 0.00 0.00 56.93 56.61 1fgg s PHE 132 Cb -0.18 0.25 0.03 0.00 -0.63 0.00 0.00 43.02 42.49 1fgg s PHE 132 CO 0.18 -1.05 0.05 0.99 -0.05 0.00 0.00 175.22 175.34 1fgg s THR 133 N -3.87 -0.08 -0.20 -4.49 2.01 -0.51 -0.96 115.64 107.55 1fgg s THR 133 Ca 0.22 0.27 -0.14 0.00 0.31 0.00 0.00 61.69 62.35 1fgg s THR 133 Cb -0.01 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 1fgg s THR 133 CO 0.10 0.11 0.29 -2.28 -0.69 0.00 0.00 174.62 172.15 1fgg s HIS 134 N 1.41 3.39 0.20 4.92 2.46 -0.15 -2.30 115.29 125.22 1fgg s HIS 134 Ca -0.05 0.49 0.08 0.00 0.47 0.00 0.00 55.06 56.05 1fgg s HIS 134 Cb -0.13 -2.39 -0.05 0.00 -0.13 0.00 0.00 32.58 29.89 1fgg s HIS 134 CO -0.03 0.10 -0.15 -0.51 -2.47 0.00 0.00 174.74 171.67 1fgg s LEU 135 N 0.95 2.53 -0.08 8.88 1.43 0.22 -1.49 118.68 131.12 1fgg s LEU 135 Ca 0.15 -0.99 -0.06 0.00 -1.03 0.00 0.00 54.13 52.20 1fgg s LEU 135 Cb -0.14 -0.69 0.03 0.00 0.03 0.00 0.00 46.19 45.41 1fgg s LEU 135 CO 0.05 -0.15 0.19 -0.69 0.23 0.00 0.00 176.35 175.99 1fgg s VAL 136 N -2.80 -0.01 -0.27 -1.59 1.01 -1.26 -0.87 120.40 114.61 1fgg s VAL 136 Ca 0.21 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.02 1fgg s VAL 136 Cb -0.02 -0.29 0.07 0.00 0.00 0.00 0.00 36.38 36.15 1fgg s VAL 136 CO 0.07 0.02 0.71 0.54 0.00 0.00 0.00 175.10 176.44 1fgg s VAL 137 N 0.47 -0.00 0.13 2.92 0.11 -0.73 -4.95 120.40 118.34 1fgg s VAL 137 Ca -0.03 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.90 1fgg s VAL 137 Cb -0.04 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.74 1fgg s VAL 137 CO -0.02 0.00 0.49 -0.22 -3.33 0.00 0.00 175.10 172.02 1fgg s LEU 138 N 0.69 4.32 -0.23 2.54 2.96 -1.25 -3.28 118.68 124.44 1fgg s LEU 138 Ca -0.03 0.93 -0.20 0.00 -0.22 0.00 0.00 54.13 54.62 1fgg s LEU 138 Cb -0.05 -3.21 -0.02 0.00 0.50 0.00 0.00 46.19 43.40 1fgg s LEU 138 CO -0.04 0.11 0.59 -0.89 -1.32 0.00 0.00 176.35 174.79 1fgg s THR 139 N -1.49 5.03 0.00 3.68 2.01 -1.26 -4.95 115.64 118.66 1fgg s THR 139 Ca 0.37 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.45 1fgg s THR 139 Cb -0.14 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.47 1fgg s THR 139 CO 0.19 0.10 0.39 -0.81 -0.69 0.00 0.00 174.62 173.79 1fgg n PRO 140 N 5.27 0.00 0.00 4.92 -0.04 -1.26 -5.12 135.00 138.77 1fgg n PRO 140 Ca -0.02 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1fgg n PRO 140 Cb 0.50 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 1fgg n PRO 140 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1fgg n TRP 152 N -1.37 0.00 -2.94 0.54 7.02 -1.26 -5.28 117.44 114.16 1fgg n TRP 152 Ca 0.00 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.08 1fgg n TRP 152 Cb 0.00 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.84 1fgg n TRP 152 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1fgg s VAL 153 N -1.26 4.76 -0.88 -0.99 1.01 -1.26 -5.01 120.40 116.78 1fgg s VAL 153 Ca 0.00 1.70 -0.00 0.00 0.00 0.00 0.00 61.98 63.67 1fgg s VAL 153 Cb 0.00 -4.15 0.25 0.00 0.00 0.00 0.00 36.38 32.48 1fgg s VAL 153 CO 0.00 0.32 0.94 1.41 0.00 0.00 0.00 175.10 177.77 1fgg n HIS 154 N 3.05 3.65 -1.71 5.22 -0.00 -1.26 -5.05 115.22 119.11 1fgg n HIS 154 Ca -0.01 -3.79 -0.38 0.00 -0.00 0.00 0.00 57.72 53.54 1fgg n HIS 154 Cb 0.50 -1.02 0.05 0.00 -0.00 0.00 0.00 29.99 29.52 1fgg n HIS 154 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1fgg n PRO 155 N 1.71 1.35 -4.85 -0.41 -0.02 -1.26 -5.01 135.00 126.50 1fgg n PRO 155 Ca 0.25 0.51 -0.28 0.00 -2.02 0.00 0.00 63.50 61.96 1fgg n PRO 155 Cb 0.37 -2.47 -0.17 0.00 -0.02 0.00 0.00 33.50 31.22 1fgg n PRO 155 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1fgg s ARG 156 N -2.99 2.23 0.00 -0.52 0.52 -1.26 -4.75 118.95 112.19 1fgg s ARG 156 Ca 0.76 -0.61 0.00 0.00 -0.52 0.00 0.00 55.73 55.36 1fgg s ARG 156 Cb -0.41 -1.76 0.00 0.00 0.52 0.00 0.00 34.95 33.30 1fgg s ARG 156 CO 0.46 0.10 0.00 0.41 0.02 0.00 0.00 175.30 176.29 1fgg n GLY 157 N 3.66 0.72 0.23 -3.53 0.00 -1.26 -4.95 105.19 100.07 1fgg n GLY 157 Ca -0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1fgg n GLY 157 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fgg h VAL 158 N 0.00 0.00 -0.63 1.61 2.07 -1.98 0.03 116.25 117.35 1fgg h VAL 158 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1fgg h VAL 158 Cb 0.04 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.72 1fgg h VAL 158 CO 0.00 0.00 0.11 -0.33 0.02 0.00 0.00 177.57 177.37 1fgg h GLU 159 N -0.43 0.22 -0.47 1.57 3.07 -1.93 -0.21 114.58 116.40 1fgg h GLU 159 Ca -0.02 -0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.87 1fgg h GLU 159 Cb 0.39 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 1fgg h GLU 159 CO -0.07 0.14 0.22 1.96 -1.40 0.00 0.00 179.01 179.86 1fgg h GLN 160 N 0.23 0.42 -0.49 2.33 7.50 -1.83 0.18 115.11 123.44 1fgg h GLN 160 Ca 0.34 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.44 1fgg h GLN 160 Cb 0.53 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.95 1fgg h GLN 160 CO -0.46 0.28 0.23 0.00 -1.50 0.00 0.00 178.83 177.38 1fgg h ARG 161 N 0.43 0.72 0.00 1.46 3.08 0.48 -2.29 114.38 118.26 1fgg h ARG 161 Ca 0.21 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1fgg h ARG 161 Cb 0.14 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1fgg h ARG 161 CO -0.17 0.61 -0.21 -0.91 -1.07 0.00 0.00 179.97 178.22 1fgg h ASN 162 N 0.65 0.00 -0.46 7.04 2.35 -0.61 -1.98 115.58 122.58 1fgg h ASN 162 Ca 0.17 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.85 1fgg h ASN 162 Cb 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1fgg h ASN 162 CO -0.02 0.21 0.02 0.50 -1.65 0.00 0.00 177.43 176.49 1fgg h LYS 163 N 0.00 0.80 -0.67 0.81 1.63 -0.43 0.12 116.57 118.82 1fgg h LYS 163 Ca -0.00 -0.24 -0.01 0.00 -0.85 0.00 0.00 60.65 59.54 1fgg h LYS 163 Cb 0.43 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.96 1fgg h LYS 163 CO 0.03 0.84 0.36 0.00 -3.45 0.00 0.00 179.45 177.24 1fgg h ALA 164 N 0.92 0.86 -0.60 5.00 0.00 -0.93 -1.14 119.26 123.38 1fgg h ALA 164 Ca 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1fgg h ALA 164 Cb 0.47 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1fgg h ALA 164 CO 0.02 0.38 0.33 -0.07 0.00 0.00 0.00 179.25 179.91 1fgg h LEU 165 N 0.92 0.75 -0.41 0.00 3.38 -1.04 -1.55 115.31 117.36 1fgg h LEU 165 Ca 0.24 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1fgg h LEU 165 Cb 0.05 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1fgg h LEU 165 CO -0.04 0.62 0.18 0.44 0.09 0.00 0.00 178.44 179.74 1fgg h ASP 166 N 0.81 0.25 -0.71 -0.43 3.32 -0.17 -1.35 116.42 118.13 1fgg h ASP 166 Ca 0.21 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.30 1fgg h ASP 166 Cb 0.04 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1fgg h ASP 166 CO -0.03 0.18 0.47 -0.25 -1.72 0.00 0.00 179.24 177.88 1fgg h TRP 167 N 0.37 0.89 0.00 4.55 7.01 -0.91 -1.03 115.95 126.82 1fgg h TRP 167 Ca 0.18 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.18 1fgg h TRP 167 Cb 0.12 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 26.88 1fgg h TRP 167 CO -0.12 0.55 -0.10 -0.07 -2.79 0.00 0.00 178.44 175.92 1fgg h LEU 168 N 0.95 0.00 -1.59 0.65 3.38 -0.64 -1.56 115.31 116.51 1fgg h LEU 168 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1fgg h LEU 168 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1fgg h LEU 168 CO -0.06 0.10 0.00 0.54 0.09 0.00 0.00 178.44 179.10 1fgg n ARG 169 N -4.27 2.15 -1.01 1.13 1.74 -0.49 -4.72 116.66 111.20 1fgg n ARG 169 Ca -0.03 -1.31 -0.00 0.00 -0.77 0.00 0.00 57.85 55.74 1fgg n ARG 169 Cb 0.17 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1fgg n ARG 169 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fgg n GLY 170 N 0.77 0.46 0.88 -0.13 0.00 -0.58 -4.93 105.19 101.66 1fgg n GLY 170 Ca 0.12 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.73 1fgg n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fgg n ARG 171 N -2.95 2.28 0.00 1.61 1.74 -0.62 -5.01 116.66 113.71 1fgg n ARG 171 Ca -0.00 -1.31 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 1fgg n ARG 171 Cb 0.01 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 1fgg n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fgg n GLY 172 N 0.64 -0.42 0.00 -0.13 0.00 -1.26 -4.83 105.19 99.19 1fgg n GLY 172 Ca 0.12 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1fgg n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fgg n GLY 173 N 0.00 1.05 3.80 -0.02 0.00 -1.26 -4.14 105.19 104.62 1fgg n GLY 173 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1fgg n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fgg s ALA 174 N -1.89 2.82 0.00 4.61 0.00 -1.26 -4.41 121.76 121.63 1fgg s ALA 174 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1fgg s ALA 174 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1fgg s ALA 174 CO 0.00 -0.51 0.22 1.33 0.00 0.00 0.00 175.76 176.80 1fgg n VAL 175 N -1.39 0.03 -3.58 0.00 0.24 -0.56 -5.02 118.33 108.06 1fgg n VAL 175 Ca 0.09 -0.19 -0.06 0.00 -2.04 0.00 0.00 64.34 62.14 1fgg n VAL 175 Cb 0.53 1.57 -0.02 0.00 -1.47 0.00 0.00 33.84 34.45 1fgg n VAL 175 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1fgg s GLY 176 N -0.03 -0.30 0.00 7.63 0.00 -1.24 -4.95 107.32 108.43 1fgg s GLY 176 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.31 1fgg s GLY 176 CO 0.00 0.57 0.00 0.61 0.00 0.00 0.00 173.10 174.28 1fgg n GLY 177 N -0.01 -0.16 3.62 0.20 0.00 -1.26 -0.97 105.19 106.61 1fgg n GLY 177 Ca -0.03 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 1fgg n GLY 177 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fgg s GLU 178 N 0.00 3.58 0.17 1.61 0.41 -0.13 -4.87 118.70 119.48 1fgg s GLU 178 Ca 0.00 1.99 0.04 0.00 -0.41 0.00 0.00 54.97 56.59 1fgg s GLU 178 Cb 0.00 -4.21 0.02 0.00 -1.78 0.00 0.00 34.13 28.17 1fgg s GLU 178 CO 0.00 -1.57 1.40 1.57 -0.49 0.00 0.00 175.26 176.17 1fgg h LYS 179 N 12.50 0.14 -5.29 1.61 2.10 -1.90 -3.43 116.57 122.31 1fgg h LYS 179 Ca -0.40 -0.15 -0.60 0.00 -2.00 0.00 0.00 60.65 57.50 1fgg h LYS 179 Cb 1.21 0.04 -0.12 0.00 -0.90 0.00 0.00 32.23 32.46 1fgg h LYS 179 CO 0.98 0.91 -0.49 -0.51 -2.00 0.00 0.00 179.45 178.34 1fgg s ASP 180 N -6.88 6.22 0.90 7.07 1.01 -1.26 -4.69 116.67 119.04 1fgg s ASP 180 Ca -0.02 0.24 -0.12 0.00 0.71 0.00 0.00 52.55 53.36 1fgg s ASP 180 Cb 0.10 -2.09 0.13 0.00 1.01 0.00 0.00 42.92 42.07 1fgg s ASP 180 CO 0.82 0.19 1.10 -2.16 0.21 0.00 0.00 175.17 175.33 1fgg s PRO 181 N 0.32 1.22 0.42 8.23 0.04 -1.26 -4.98 135.00 138.99 1fgg s PRO 181 Ca 0.08 0.56 -0.26 0.00 0.04 0.00 0.00 61.00 61.43 1fgg s PRO 181 Cb -0.11 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 1fgg s PRO 181 CO -0.02 -2.20 1.34 -2.14 0.04 0.00 0.00 177.00 174.02 1fgg s PRO 182 N -5.08 3.87 0.74 0.56 0.02 -1.26 -4.99 135.00 128.85 1fgg s PRO 182 Ca 0.63 2.22 -0.11 0.00 0.02 0.00 0.00 61.00 63.76 1fgg s PRO 182 Cb -0.16 -2.71 0.04 0.00 0.02 0.00 0.00 34.50 31.68 1fgg s PRO 182 CO 0.55 -0.60 1.08 -1.25 -0.33 0.00 0.00 177.00 176.45 1fgg s PRO 183 N -2.32 2.56 0.72 5.54 0.04 -1.26 -4.95 135.00 135.33 1fgg s PRO 183 Ca 0.58 0.81 -0.16 0.00 0.04 0.00 0.00 61.00 62.27 1fgg s PRO 183 Cb -0.39 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 1fgg s PRO 183 CO 0.51 -1.33 0.92 -2.30 0.04 0.00 0.00 177.00 174.83 1fgg n PRO 184 N -3.26 0.49 0.00 0.56 -0.02 -1.26 -2.51 135.00 129.00 1fgg n PRO 184 Ca 0.07 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1fgg n PRO 184 Cb 0.55 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1fgg n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fgg n GLY 185 N 1.16 3.16 3.77 -1.23 0.00 -1.26 -5.02 105.19 105.77 1fgg n GLY 185 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1fgg n GLY 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fgg s THR 186 N -2.17 2.00 0.26 2.61 2.01 -1.05 -4.99 115.64 114.32 1fgg s THR 186 Ca 0.00 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.88 1fgg s THR 186 Cb 0.00 -3.00 -0.08 0.00 0.01 0.00 0.00 72.50 69.43 1fgg s THR 186 CO 0.00 0.00 0.63 0.00 -0.69 0.00 0.00 174.62 174.56 1fgg s GLN 187 N -1.77 3.90 0.00 4.92 0.00 -1.26 -4.42 119.66 121.03 1fgg s GLN 187 Ca 0.55 0.46 0.00 0.00 -0.00 0.00 0.00 55.36 56.37 1fgg s GLN 187 Cb -0.47 -2.58 0.00 0.00 0.00 0.00 0.00 33.01 29.96 1fgg s GLN 187 CO 0.61 0.26 0.00 0.41 0.00 0.00 0.00 175.29 176.57 1fgg n GLY 188 N -0.16 0.70 2.95 2.60 0.00 -1.26 -4.34 105.19 105.68 1fgg n GLY 188 Ca 0.01 -1.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 1fgg n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fgg s VAL 189 N -2.00 0.40 -0.14 1.61 0.11 -0.84 -1.03 120.40 118.51 1fgg s VAL 189 Ca 0.00 -0.21 -0.04 0.00 -2.93 0.00 0.00 61.98 58.79 1fgg s VAL 189 Cb 0.00 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1fgg s VAL 189 CO 0.00 0.11 0.01 -0.69 -3.33 0.00 0.00 175.10 171.20 1fgg s VAL 190 N -0.11 4.35 -0.05 2.04 1.01 0.18 -0.41 120.40 127.41 1fgg s VAL 190 Ca 0.02 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1fgg s VAL 190 Cb -0.02 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1fgg s VAL 190 CO -0.00 0.52 -0.10 -0.47 0.00 0.00 0.00 175.10 175.05 1fgg s TYR 191 N -0.07 1.19 -0.52 5.22 6.04 0.03 -0.60 117.35 128.63 1fgg s TYR 191 Ca 0.04 -0.38 -0.16 0.00 0.04 0.00 0.00 57.07 56.61 1fgg s TYR 191 Cb -0.13 -0.88 0.11 0.00 -1.04 0.00 0.00 41.96 40.02 1fgg s TYR 191 CO 0.02 -0.20 0.50 -0.06 -1.54 0.00 0.00 175.55 174.27 1fgg s PHE 192 N 0.54 3.20 -0.40 4.97 0.08 -1.26 0.16 117.98 125.27 1fgg s PHE 192 Ca -0.10 -1.09 -0.06 0.00 0.12 0.00 0.00 56.93 55.80 1fgg s PHE 192 Cb -0.13 -3.62 0.08 0.00 -0.57 0.00 0.00 43.02 38.78 1fgg s PHE 192 CO 0.02 -0.99 0.20 0.00 -0.10 0.00 0.00 175.22 174.35 1fgg s ALA 193 N 1.82 3.18 0.69 5.36 0.00 -0.04 -4.22 121.76 128.55 1fgg s ALA 193 Ca 0.05 -2.22 -0.17 0.00 0.00 0.00 0.00 51.96 49.62 1fgg s ALA 193 Cb -0.27 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.39 1fgg s ALA 193 CO 0.05 -1.64 1.26 -0.25 0.00 0.00 0.00 175.76 175.18 1fgg n ASP 194 N 4.77 1.78 0.00 0.00 10.43 -1.26 -4.16 116.55 128.11 1fgg n ASP 194 Ca -0.08 0.77 0.09 0.00 2.57 0.00 0.00 54.79 58.14 1fgg n ASP 194 Cb 0.42 -1.54 0.52 0.00 1.84 0.00 0.00 41.12 42.36 1fgg n ASP 194 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1fgg n ASP 195 N -2.20 0.00 -0.08 -2.24 5.75 -1.26 -3.50 116.55 113.03 1fgg n ASP 195 Ca 0.15 -1.09 0.03 0.00 -0.01 0.00 0.00 54.79 53.88 1fgg n ASP 195 Cb 0.49 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.56 1fgg n ASP 195 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1fgg n ASP 196 N -0.83 0.65 -4.18 -1.12 3.85 -1.26 -4.67 116.55 108.99 1fgg n ASP 196 Ca 0.13 -0.83 -0.30 0.00 -0.71 0.00 0.00 54.79 53.09 1fgg n ASP 196 Cb 0.06 0.74 0.19 0.00 -1.35 0.00 0.00 41.12 40.76 1fgg n ASP 196 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.20 176.39 1fgg s ASN 197 N -1.37 2.36 -0.13 -1.12 0.01 -1.23 -4.34 114.94 109.13 1fgg s ASN 197 Ca 0.04 0.60 0.02 0.00 -0.71 0.00 0.00 52.86 52.81 1fgg s ASN 197 Cb 0.05 -0.86 -0.00 0.00 0.41 0.00 0.00 41.25 40.85 1fgg s ASN 197 CO 0.23 -3.23 -0.19 -0.89 -1.51 0.00 0.00 177.10 171.50 1fgg s THR 198 N -3.38 2.41 -0.08 1.60 2.01 -0.20 -4.86 115.64 113.14 1fgg s THR 198 Ca 0.70 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.86 1fgg s THR 198 Cb -0.09 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.45 1fgg s THR 198 CO 0.54 0.54 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.50 1fgg s TYR 199 N 0.54 2.16 0.30 4.92 1.51 -1.26 -0.80 117.35 124.72 1fgg s TYR 199 Ca -0.12 -0.83 -0.13 0.00 -1.01 0.00 0.00 57.07 54.98 1fgg s TYR 199 Cb -0.16 -1.47 -0.08 0.00 -0.11 0.00 0.00 41.96 40.13 1fgg s TYR 199 CO 0.04 -0.34 0.68 -1.54 -1.11 0.00 0.00 175.55 173.27 1fgg s SER 200 N 0.38 6.72 0.48 2.29 1.04 -0.94 -4.96 113.70 118.71 1fgg s SER 200 Ca -0.16 1.16 0.15 0.00 0.48 0.00 0.00 55.95 57.58 1fgg s SER 200 Cb -0.17 -2.32 1.12 0.00 0.10 0.00 0.00 66.02 64.76 1fgg s SER 200 CO 0.07 -0.17 2.07 0.08 0.98 0.00 0.00 173.24 176.27 1fgg h ARG 201 N 2.31 0.04 -0.47 4.02 0.11 -1.92 -1.95 114.38 116.51 1fgg h ARG 201 Ca -0.48 -0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.65 1fgg h ARG 201 Cb 1.17 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.22 1fgg h ARG 201 CO 0.66 0.10 0.31 0.93 0.10 0.00 0.00 179.97 182.08 1fgg h GLU 202 N 0.04 0.45 -0.89 0.08 5.08 -1.92 -2.46 114.58 114.95 1fgg h GLU 202 Ca 0.01 -0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 1fgg h GLU 202 Cb 0.14 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.20 1fgg h GLU 202 CO 0.01 0.30 0.51 1.25 -1.00 0.00 0.00 179.01 180.08 1fgg h LEU 203 N 0.46 0.69 -1.39 1.33 5.85 -1.58 -2.33 115.31 118.33 1fgg h LEU 203 Ca 0.20 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 1fgg h LEU 203 Cb 0.20 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1fgg h LEU 203 CO -0.05 0.33 -0.30 -0.26 -0.34 0.00 0.00 178.44 177.82 1fgg h PHE 204 N 0.77 0.00 0.00 1.25 -1.00 -1.59 -1.76 116.94 114.61 1fgg h PHE 204 Ca 0.47 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.19 1fgg h PHE 204 Cb 0.57 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 1fgg h PHE 204 CO -0.05 0.30 -0.28 0.93 -1.61 0.00 0.00 178.31 177.60 1fgg h GLU 205 N 0.00 0.00 -0.29 1.51 4.39 -1.54 -2.44 114.58 116.22 1fgg h GLU 205 Ca -0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1fgg h GLU 205 Cb 0.57 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1fgg h GLU 205 CO 0.04 0.28 -0.37 0.93 -1.16 0.00 0.00 179.01 178.73 1fgg h GLU 206 N 0.00 0.76 0.00 2.33 4.39 -1.13 -3.25 114.58 117.69 1fgg h GLU 206 Ca -0.00 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1fgg h GLU 206 Cb 1.05 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1fgg h GLU 206 CO 0.04 1.06 -0.43 0.00 -1.16 0.00 0.00 179.01 178.51 1fgg h MET 207 N 0.52 0.00 -0.00 2.33 -0.00 -1.47 -3.36 114.93 112.94 1fgg h MET 207 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.74 1fgg h MET 207 Cb 0.96 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.56 1fgg h MET 207 CO 0.09 0.00 0.04 -0.09 -0.00 0.00 0.00 176.91 176.95 1fgg h ARG 208 N 0.00 0.00 -0.74 -0.10 2.43 -1.47 -2.72 114.38 111.78 1fgg h ARG 208 Ca 0.00 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.73 1fgg h ARG 208 Cb 0.76 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 30.06 1fgg h ARG 208 CO 0.00 0.00 0.27 0.91 -1.51 0.00 0.00 179.97 179.64 1fgg n TRP 209 N -3.10 2.37 -2.54 2.20 8.01 -1.26 -4.89 117.44 118.24 1fgg n TRP 209 Ca -0.03 -2.07 -0.42 0.00 -1.31 0.00 0.00 57.50 53.67 1fgg n TRP 209 Cb 0.11 -0.83 -0.03 0.00 -2.01 0.00 0.00 31.31 28.55 1fgg n TRP 209 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1fgg s THR 210 N -3.77 4.38 -0.18 -0.99 2.01 -1.03 -4.95 115.64 111.11 1fgg s THR 210 Ca 0.54 1.71 -0.10 0.00 0.31 0.00 0.00 61.69 64.15 1fgg s THR 210 Cb 0.45 -4.09 -0.22 0.00 0.01 0.00 0.00 72.50 68.65 1fgg s THR 210 CO 0.03 0.12 0.17 0.54 -0.69 0.00 0.00 174.62 174.79 1fgg n ARG 211 N 4.03 0.68 0.00 4.92 5.12 -1.26 -4.65 116.66 125.50 1fgg n ARG 211 Ca 0.08 0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.32 1fgg n ARG 211 Cb 0.48 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 1fgg n ARG 211 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1fgg n GLY 212 N 1.83 0.50 2.92 -0.13 0.00 -1.26 -4.66 105.19 104.39 1fgg n GLY 212 Ca -0.36 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 1fgg n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fgg s VAL 213 N 0.00 0.85 0.16 1.61 1.01 -1.26 -0.39 120.40 122.38 1fgg s VAL 213 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1fgg s VAL 213 Cb 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1fgg s VAL 213 CO 0.00 0.31 0.02 -0.94 0.00 0.00 0.00 175.10 174.49 1fgg s SER 214 N 1.19 4.93 0.06 3.32 1.04 -0.84 -0.85 113.70 122.56 1fgg s SER 214 Ca -0.06 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1fgg s SER 214 Cb -0.14 -1.11 -0.04 0.00 0.10 0.00 0.00 66.02 64.83 1fgg s SER 214 CO -0.02 0.09 -0.05 0.68 0.98 0.00 0.00 173.24 174.93 1fgg s VAL 215 N -1.69 0.39 0.16 5.02 -7.23 -0.19 -2.32 120.40 114.55 1fgg s VAL 215 Ca 0.28 -1.72 -0.23 0.00 -1.81 0.00 0.00 61.98 58.49 1fgg s VAL 215 Cb -0.10 -1.40 0.07 0.00 0.56 0.00 0.00 36.38 35.51 1fgg s VAL 215 CO 0.19 -0.87 0.62 -1.66 -0.31 0.00 0.00 175.10 173.07 1fgg s TRP 216 N -3.43 -0.51 0.76 2.82 -2.14 -1.09 -0.71 118.94 114.64 1fgg s TRP 216 Ca 0.05 0.28 -0.12 0.00 2.66 0.00 0.00 56.10 58.98 1fgg s TRP 216 Cb 0.04 0.57 0.05 0.00 -3.10 0.00 0.00 33.47 31.04 1fgg s TRP 216 CO -0.07 -0.87 1.11 -1.25 -2.66 0.00 0.00 176.95 173.21 1fgg s PRO 217 N -3.74 2.21 -0.06 3.25 0.04 -1.26 -4.73 135.00 130.71 1fgg s PRO 217 Ca 0.02 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.36 1fgg s PRO 217 Cb -0.01 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.66 1fgg s PRO 217 CO -0.11 -1.69 -0.06 0.08 0.04 0.00 0.00 177.00 175.26 1fgg s VAL 218 N -2.70 0.69 0.52 -0.36 1.01 0.67 -4.37 120.40 115.86 1fgg s VAL 218 Ca 0.64 -0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.32 1fgg s VAL 218 Cb -0.19 -0.71 -0.06 0.00 0.00 0.00 0.00 36.38 35.41 1fgg s VAL 218 CO 0.52 0.27 0.95 -0.83 0.00 0.00 0.00 175.10 176.02 1fgg s GLY 219 N 1.16 1.91 -1.39 4.51 0.00 -0.68 -0.69 107.32 112.14 1fgg s GLY 219 Ca -0.07 0.01 -0.05 0.00 0.00 0.00 0.00 44.72 44.61 1fgg s GLY 219 CO -0.01 0.26 0.40 1.04 0.00 0.00 0.00 173.10 174.78 1fgg n LEU 220 N -1.86 -1.92 -4.07 0.66 4.77 0.28 -1.34 117.00 113.52 1fgg n LEU 220 Ca 0.05 -1.08 -0.09 0.00 -0.03 0.00 0.00 56.01 54.86 1fgg n LEU 220 Cb 0.54 -2.08 -0.10 0.00 -2.33 0.00 0.00 43.42 39.44 1fgg n LEU 220 CO 0.50 0.47 -0.37 0.54 -1.33 0.00 0.00 177.39 177.20 1fgg s VAL 221 N -3.96 0.30 -2.02 4.08 0.11 -1.10 -4.34 120.40 113.48 1fgg s VAL 221 Ca 0.09 -1.46 0.00 0.00 -2.93 0.00 0.00 61.98 57.68 1fgg s VAL 221 Cb -0.04 -1.04 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 1fgg s VAL 221 CO 0.91 -0.75 0.00 0.61 -3.33 0.00 0.00 175.10 172.54 1fgg n GLY 222 N 0.71 1.77 2.19 6.54 0.00 -1.26 -1.24 105.19 113.90 1fgg n GLY 222 Ca -0.18 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1fgg n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fgg n GLY 223 N -0.64 0.47 3.69 -0.02 0.00 -1.26 -4.42 105.19 103.01 1fgg n GLY 223 Ca -0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1fgg n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fgg s LEU 224 N 0.00 3.20 0.22 0.99 1.43 -0.37 -5.01 118.68 119.14 1fgg s LEU 224 Ca 0.00 -0.77 -0.09 0.00 -1.03 0.00 0.00 54.13 52.24 1fgg s LEU 224 Cb 0.00 -1.67 0.19 0.00 0.03 0.00 0.00 46.19 44.74 1fgg s LEU 224 CO 0.00 -0.20 1.88 0.03 0.23 0.00 0.00 176.35 178.29 1fgg h ARG 225 N 1.69 1.13 -2.03 1.70 3.08 -1.94 -2.90 114.38 115.11 1fgg h ARG 225 Ca -0.44 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.46 1fgg h ARG 225 Cb 1.25 -0.24 -0.19 0.00 0.08 0.00 0.00 29.97 30.86 1fgg h ARG 225 CO 0.63 0.78 0.17 -0.59 -1.07 0.00 0.00 179.97 179.88 1fgg s PHE 226 N -6.03 -0.67 -0.04 3.04 -0.12 -1.26 0.10 117.98 113.00 1fgg s PHE 226 Ca -0.13 1.23 0.06 0.00 -0.05 0.00 0.00 56.93 58.04 1fgg s PHE 226 Cb 0.16 0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 42.91 1fgg s PHE 226 CO 0.80 -0.57 -0.22 -2.00 -0.05 0.00 0.00 175.22 173.18 1fgg s GLU 227 N -0.94 2.36 -0.08 1.99 2.12 0.14 -4.93 118.70 119.36 1fgg s GLU 227 Ca -0.09 -0.86 -0.32 0.00 0.36 0.00 0.00 54.97 54.06 1fgg s GLU 227 Cb -0.01 -2.18 0.13 0.00 0.26 0.00 0.00 34.13 32.33 1fgg s GLU 227 CO 0.08 0.52 1.24 0.20 -0.54 0.00 0.00 175.26 176.77 1fgg s GLY 228 N -0.50 -0.36 0.43 -1.50 0.00 -0.84 -0.24 107.32 104.30 1fgg s GLY 228 Ca 0.07 1.03 -0.25 0.00 0.00 0.00 0.00 44.72 45.56 1fgg s GLY 228 CO 0.01 0.28 1.28 -4.14 0.00 0.00 0.00 173.10 170.52 1fgg s PRO 229 N -2.46 3.87 -0.21 2.90 0.02 -1.26 0.22 135.00 138.07 1fgg s PRO 229 Ca 0.12 2.09 -0.18 0.00 0.02 0.00 0.00 61.00 63.05 1fgg s PRO 229 Cb 0.02 -2.66 -0.03 0.00 0.02 0.00 0.00 34.50 31.86 1fgg s PRO 229 CO -0.04 -0.55 0.50 -0.65 -0.33 0.00 0.00 177.00 175.93 1fgg s GLN 230 N -2.37 4.17 -0.06 5.54 -1.52 -0.27 -4.75 119.66 120.40 1fgg s GLN 230 Ca 0.59 0.37 0.03 0.00 -1.95 0.00 0.00 55.36 54.40 1fgg s GLN 230 Cb -0.36 -3.57 -0.02 0.00 -0.22 0.00 0.00 33.01 28.83 1fgg s GLN 230 CO 0.46 -0.16 -0.14 0.08 -0.25 0.00 0.00 175.29 175.28 1fgg s VAL 231 N 1.68 3.07 -0.09 1.09 1.01 -1.26 -1.38 120.40 124.52 1fgg s VAL 231 Ca 0.23 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 1fgg s VAL 231 Cb -0.15 -2.22 0.05 0.00 0.00 0.00 0.00 36.38 34.06 1fgg s VAL 231 CO 0.09 0.58 0.20 -1.58 0.00 0.00 0.00 175.10 174.39 1fgg s GLN 232 N -0.57 0.11 -1.38 2.72 0.74 0.14 -4.87 119.66 116.56 1fgg s GLN 232 Ca 0.08 0.55 -0.08 0.00 0.05 0.00 0.00 55.36 55.96 1fgg s GLN 232 Cb -0.11 -0.16 0.03 0.00 1.10 0.00 0.00 33.01 33.86 1fgg s GLN 232 CO 0.01 -0.23 1.08 -3.47 -0.55 0.00 0.00 175.29 172.13 1fgg n ASP 233 N 4.81 -5.03 -0.26 6.67 2.03 -1.26 -1.57 116.55 121.94 1fgg n ASP 233 Ca -0.15 -0.63 -0.03 0.00 0.52 0.00 0.00 54.79 54.49 1fgg n ASP 233 Cb 0.51 -4.69 -0.01 0.00 -0.72 0.00 0.00 41.12 36.20 1fgg n ASP 233 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fgg n GLY 234 N -1.78 0.49 3.22 0.27 0.00 -1.26 -4.98 105.19 101.14 1fgg n GLY 234 Ca -0.05 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 1fgg n GLY 234 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fgg s ARG 235 N -1.78 0.96 -0.13 1.61 0.52 -0.61 -4.69 118.95 114.82 1fgg s ARG 235 Ca 0.00 -1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 53.85 1fgg s ARG 235 Cb 0.00 -1.05 -0.02 0.00 0.52 0.00 0.00 34.95 34.40 1fgg s ARG 235 CO 0.00 0.24 1.17 0.08 0.02 0.00 0.00 175.30 176.80 1fgg s VAL 236 N -1.31 4.41 0.00 3.52 1.01 -1.26 -0.68 120.40 126.09 1fgg s VAL 236 Ca 0.02 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.71 1fgg s VAL 236 Cb -0.10 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1fgg s VAL 236 CO 0.03 -0.07 0.90 1.33 0.00 0.00 0.00 175.10 177.29 1fgg n VAL 237 N 4.96 0.80 -3.02 2.92 0.24 -0.48 -4.73 118.33 119.02 1fgg n VAL 237 Ca 0.12 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 1fgg n VAL 237 Cb 0.46 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 1fgg n VAL 237 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fgg n GLY 238 N -0.40 -1.39 2.99 7.63 0.00 -1.23 -4.98 105.19 107.81 1fgg n GLY 238 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1fgg n GLY 238 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fgg s PHE 239 N -2.87 -0.05 -0.55 1.61 0.40 -1.26 -1.12 117.98 114.13 1fgg s PHE 239 Ca 0.00 0.13 -0.18 0.00 -0.60 0.00 0.00 56.93 56.28 1fgg s PHE 239 Cb 0.00 0.00 0.09 0.00 0.51 0.00 0.00 43.02 43.62 1fgg s PHE 239 CO 0.00 -0.09 0.64 -1.58 0.70 0.00 0.00 175.22 174.88 1fgg s HIS 240 N -0.27 3.05 0.34 0.36 5.65 0.13 -4.83 115.29 119.73 1fgg s HIS 240 Ca -0.03 -0.85 -0.08 0.00 0.25 0.00 0.00 55.06 54.35 1fgg s HIS 240 Cb -0.02 -3.78 0.02 0.00 -1.18 0.00 0.00 32.58 27.62 1fgg s HIS 240 CO 0.00 -1.15 0.56 -0.08 -0.65 0.00 0.00 174.74 173.42 1fgg s THR 241 N 2.49 0.00 0.11 0.89 -1.32 -1.26 -1.99 115.64 114.55 1fgg s THR 241 Ca 0.11 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 59.18 1fgg s THR 241 Cb -0.23 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 1fgg s THR 241 CO 0.08 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.49 1fgg n ALA 242 N -0.53 2.42 -1.77 11.08 0.00 -1.26 -5.04 120.51 125.41 1fgg n ALA 242 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 1fgg n ALA 242 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 1fgg n ALA 242 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1fgg s TRP 243 N -2.00 3.24 -1.05 0.00 -0.00 -1.26 -4.00 118.94 113.86 1fgg s TRP 243 Ca 0.00 1.61 -0.27 0.00 -0.00 0.00 0.00 56.10 57.43 1fgg s TRP 243 Cb 0.00 -3.31 0.04 0.00 -0.00 0.00 0.00 33.47 30.20 1fgg s TRP 243 CO 0.00 -0.98 0.61 0.39 -0.00 0.00 0.00 176.95 176.96 1fgg n GLU 244 N 0.32 -0.46 0.00 5.86 -0.58 -1.26 -4.80 120.64 119.73 1fgg n GLU 244 Ca 0.03 0.12 0.03 0.00 -0.42 0.00 0.00 57.16 56.92 1fgg n GLU 244 Cb 0.47 -2.11 0.17 0.00 -0.57 0.00 0.00 31.44 29.40 1fgg n GLU 244 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1fgg n PRO 245 N -4.35 0.10 0.09 3.49 -0.04 -1.26 -2.10 135.00 130.93 1fgg n PRO 245 Ca -0.13 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 63.67 1fgg n PRO 245 Cb 0.53 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.94 1fgg n PRO 245 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1fgg n SER 246 N -1.28 0.64 -4.66 3.54 3.41 -1.26 -4.82 113.62 109.20 1fgg n SER 246 Ca 0.03 0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 58.80 1fgg n SER 246 Cb 0.05 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.23 1fgg n SER 246 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1fgg s ARG 247 N -3.13 4.08 0.45 4.33 0.52 -0.89 -4.87 118.95 119.44 1fgg s ARG 247 Ca 0.09 2.47 0.18 0.00 -0.52 0.00 0.00 55.73 57.95 1fgg s ARG 247 Cb 0.12 -4.14 1.12 0.00 0.52 0.00 0.00 34.95 32.58 1fgg s ARG 247 CO 0.53 -1.01 1.94 -1.00 0.02 0.00 0.00 175.30 175.77 1fgg h PRO 248 N 10.66 0.32 -2.99 3.54 0.13 -1.92 -3.12 132.00 138.62 1fgg h PRO 248 Ca -0.47 -0.02 -0.62 0.00 -0.87 0.00 0.00 66.00 64.03 1fgg h PRO 248 Cb 1.22 -0.07 -0.41 0.00 0.13 0.00 0.00 31.00 31.87 1fgg h PRO 248 CO 0.95 0.21 -0.67 -0.06 -0.23 0.00 0.00 178.00 178.20 1fgg s PHE 249 N -5.32 2.89 -1.34 1.56 0.40 -1.26 -4.82 117.98 110.08 1fgg s PHE 249 Ca -0.07 -3.03 -0.08 0.00 -0.60 0.00 0.00 56.93 53.15 1fgg s PHE 249 Cb 0.21 -2.31 -0.07 0.00 0.51 0.00 0.00 43.02 41.35 1fgg s PHE 249 CO 0.76 -0.65 2.61 -0.35 0.70 0.00 0.00 175.22 178.28 1fgg n PRO 250 N 2.49 3.03 -4.18 0.24 -0.04 -1.18 -4.51 135.00 130.84 1fgg n PRO 250 Ca 0.18 -1.91 -0.18 0.00 -0.04 0.00 0.00 63.50 61.56 1fgg n PRO 250 Cb 0.37 -2.67 -0.12 0.00 -0.04 0.00 0.00 33.50 31.04 1fgg n PRO 250 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1fgg s VAL 251 N 2.70 1.01 0.61 0.52 -7.23 -1.26 -4.82 120.40 111.92 1fgg s VAL 251 Ca 0.57 -1.20 -0.13 0.00 -1.81 0.00 0.00 61.98 59.42 1fgg s VAL 251 Cb 0.15 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 1fgg s VAL 251 CO -0.05 -0.20 1.03 -0.62 -0.31 0.00 0.00 175.10 174.95 1fgg s ASP 252 N -1.58 6.09 0.35 4.85 -1.08 -1.26 -4.81 116.67 119.23 1fgg s ASP 252 Ca -0.03 1.55 0.14 0.00 -0.52 0.00 0.00 52.55 53.70 1fgg s ASP 252 Cb -0.09 -2.49 1.02 0.00 -1.46 0.00 0.00 42.92 39.89 1fgg s ASP 252 CO 0.02 -0.96 1.72 -0.03 0.52 0.00 0.00 175.17 176.44 1fgg h MET 253 N 0.01 0.44 -0.00 4.34 1.85 -1.97 0.50 114.93 120.10 1fgg h MET 253 Ca -0.45 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.61 1fgg h MET 253 Cb 1.20 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 33.13 1fgg h MET 253 CO 0.60 0.29 -0.02 0.00 -0.40 0.00 0.00 176.91 177.38 1fgg n ALA 254 N -2.36 2.62 0.03 0.39 0.00 -1.26 -3.94 120.51 115.99 1fgg n ALA 254 Ca 0.28 -0.20 0.06 0.00 0.00 0.00 0.00 53.44 53.58 1fgg n ALA 254 Cb 0.87 -1.46 0.25 0.00 0.00 0.00 0.00 19.45 19.11 1fgg n ALA 254 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fgg n GLY 255 N 1.17 1.98 3.70 0.00 0.00 0.17 -4.96 105.19 107.25 1fgg n GLY 255 Ca 0.18 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 1fgg n GLY 255 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1fgg s PHE 256 N -1.81 -0.31 0.05 1.61 -0.12 -1.25 -2.69 117.98 113.46 1fgg s PHE 256 Ca 0.35 -0.05 -0.04 0.00 -0.05 0.00 0.00 56.93 57.13 1fgg s PHE 256 Cb 0.23 0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 43.26 1fgg s PHE 256 CO 0.16 -1.08 0.07 0.00 -0.05 0.00 0.00 175.22 174.32 1fgg s ALA 257 N -3.82 0.07 -0.03 1.99 0.00 -0.98 -4.51 121.76 114.49 1fgg s ALA 257 Ca 0.08 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.36 1fgg s ALA 257 Cb -0.04 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 1fgg s ALA 257 CO -0.00 -0.34 -0.16 0.08 0.00 0.00 0.00 175.76 175.34 1fgg s VAL 258 N -2.99 1.31 0.18 0.00 1.01 0.23 -1.98 120.40 118.17 1fgg s VAL 258 Ca -0.02 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 60.97 1fgg s VAL 258 Cb 0.01 -1.11 -0.10 0.00 0.00 0.00 0.00 36.38 35.18 1fgg s VAL 258 CO -0.06 0.38 1.54 0.00 0.00 0.00 0.00 175.10 176.96 1fgg s ALA 259 N -0.17 3.75 0.18 5.51 0.00 0.48 0.52 121.76 132.03 1fgg s ALA 259 Ca 0.01 1.37 -0.13 0.00 0.00 0.00 0.00 51.96 53.21 1fgg s ALA 259 Cb -0.09 -3.61 0.16 0.00 0.00 0.00 0.00 23.12 19.58 1fgg s ALA 259 CO 0.01 -0.78 1.75 1.25 0.00 0.00 0.00 175.76 177.98 1fgg h LEU 260 N 6.42 0.16 -1.45 0.00 5.85 -1.41 -1.78 115.31 123.11 1fgg h LEU 260 Ca -0.43 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.41 1fgg h LEU 260 Cb 1.21 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 1fgg h LEU 260 CO 0.89 0.12 0.44 -0.65 -0.34 0.00 0.00 178.44 178.90 1fgg h PRO 261 N 0.34 0.66 -0.41 5.25 0.11 -1.80 -1.37 132.00 134.77 1fgg h PRO 261 Ca 0.23 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.19 1fgg h PRO 261 Cb 0.25 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1fgg h PRO 261 CO -0.24 0.43 -0.18 1.25 -0.21 0.00 0.00 178.00 179.06 1fgg h LEU 262 N 0.68 0.80 -0.57 2.35 5.85 -1.66 -1.68 115.31 121.08 1fgg h LEU 262 Ca 0.28 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1fgg h LEU 262 Cb 0.26 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1fgg h LEU 262 CO -0.09 0.97 0.15 -0.07 -0.34 0.00 0.00 178.44 179.06 1fgg h LEU 263 N 0.70 0.86 -0.90 2.25 3.38 -0.78 -2.51 115.31 118.31 1fgg h LEU 263 Ca 0.11 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1fgg h LEU 263 Cb 0.68 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1fgg h LEU 263 CO 0.05 0.86 -0.49 -0.07 0.09 0.00 0.00 178.44 178.88 1fgg h LEU 264 N 0.81 0.00 -0.12 1.67 3.38 -1.31 -2.71 115.31 117.04 1fgg h LEU 264 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1fgg h LEU 264 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1fgg h LEU 264 CO 0.00 0.49 -0.02 -0.67 0.09 0.00 0.00 178.44 178.33 1fgg n ASP 265 N -3.73 0.20 -3.28 -0.43 2.03 -0.64 -4.09 116.55 106.61 1fgg n ASP 265 Ca -0.01 -0.73 -0.25 0.00 0.52 0.00 0.00 54.79 54.32 1fgg n ASP 265 Cb 0.55 -0.09 -0.08 0.00 -0.72 0.00 0.00 41.12 40.78 1fgg n ASP 265 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1fgg n LYS 266 N -0.98 0.74 0.26 -0.67 4.76 -0.97 -4.99 118.16 116.32 1fgg n LYS 266 Ca 0.19 -3.35 0.18 0.00 -2.87 0.00 0.00 58.31 52.46 1fgg n LYS 266 Cb 0.19 -1.44 0.89 0.00 -1.84 0.00 0.00 35.03 32.84 1fgg n LYS 266 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1fgg h PRO 267 N 4.47 0.00 -0.00 1.97 0.13 -1.71 -1.07 132.00 135.79 1fgg h PRO 267 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1fgg h PRO 267 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1fgg h PRO 267 CO 0.47 0.00 -0.14 0.09 -0.23 0.00 0.00 178.00 178.20 1fgg n ASN 268 N -3.38 0.44 -4.63 1.44 3.02 -1.26 -4.81 115.26 106.09 1fgg n ASN 268 Ca 0.00 -0.45 -0.43 0.00 -0.03 0.00 0.00 54.58 53.67 1fgg n ASN 268 Cb 0.32 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 1fgg n ASN 268 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fgg s ALA 269 N -2.57 3.34 0.22 5.41 0.00 -0.41 -4.95 121.76 122.80 1fgg s ALA 269 Ca 0.26 0.02 -0.23 0.00 0.00 0.00 0.00 51.96 52.01 1fgg s ALA 269 Cb 0.20 -3.78 0.05 0.00 0.00 0.00 0.00 23.12 19.58 1fgg s ALA 269 CO 0.50 -1.82 0.87 1.14 0.00 0.00 0.00 175.76 176.44 1fgg s GLN 270 N 4.19 1.49 0.04 0.00 -2.07 -1.26 -5.08 119.66 116.96 1fgg s GLN 270 Ca 0.55 -0.84 -0.27 0.00 -1.82 0.00 0.00 55.36 52.97 1fgg s GLN 270 Cb -0.15 0.49 -0.05 0.00 -1.09 0.00 0.00 33.01 32.21 1fgg s GLN 270 CO 0.23 -0.68 0.85 -0.06 -1.32 0.00 0.00 175.29 174.31 1fgg s PHE 271 N -3.40 3.73 -0.46 9.60 0.40 -1.26 -3.84 117.98 122.75 1fgg s PHE 271 Ca 0.13 1.58 -0.20 0.00 -0.60 0.00 0.00 56.93 57.83 1fgg s PHE 271 Cb -0.03 -2.94 0.03 0.00 0.51 0.00 0.00 43.02 40.59 1fgg s PHE 271 CO 0.05 0.18 0.64 0.34 0.70 0.00 0.00 175.22 177.13 1fgg s ASP 272 N 0.24 6.29 0.33 1.36 -1.08 -1.26 -4.93 116.67 117.61 1fgg s ASP 272 Ca 0.43 -0.52 0.25 0.00 -0.52 0.00 0.00 52.55 52.19 1fgg s ASP 272 Cb -0.21 -2.31 1.17 0.00 -1.46 0.00 0.00 42.92 40.11 1fgg s ASP 272 CO 0.25 -0.82 1.75 0.77 0.52 0.00 0.00 175.17 177.65 1fgg h SER 273 N 8.92 0.00 -0.08 -0.34 4.64 -1.97 -1.58 113.55 123.14 1fgg h SER 273 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1fgg h SER 273 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1fgg h SER 273 CO 0.91 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.22 1fgg n THR 274 N -2.36 0.08 -2.08 2.95 -2.24 -1.26 -4.84 114.28 104.54 1fgg n THR 274 Ca 0.00 -0.42 -0.38 0.00 -2.27 0.00 0.00 64.05 60.99 1fgg n THR 274 Cb 0.15 0.94 0.01 0.00 -2.10 0.00 0.00 70.33 69.32 1fgg n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fgg s ALA 275 N -1.92 3.00 0.90 6.98 0.00 -0.60 -4.97 121.76 125.16 1fgg s ALA 275 Ca 0.33 1.12 -0.12 0.00 0.00 0.00 0.00 51.96 53.29 1fgg s ALA 275 Cb 0.20 -3.46 0.08 0.00 0.00 0.00 0.00 23.12 19.95 1fgg s ALA 275 CO 0.31 -0.90 0.81 -2.30 0.00 0.00 0.00 175.76 173.69 1fgg n PRO 276 N -0.49 -0.26 0.00 0.00 -0.02 -1.26 -4.79 135.00 128.18 1fgg n PRO 276 Ca 0.07 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1fgg n PRO 276 Cb 0.46 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1fgg n PRO 276 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1fgg n ARG 277 N -2.86 0.00 -1.17 -0.52 -4.01 -1.26 -1.14 116.66 105.70 1fgg n ARG 277 Ca 0.10 0.00 -0.19 0.00 -1.04 0.00 0.00 57.85 56.72 1fgg n ARG 277 Cb 0.52 0.00 0.16 0.00 -3.04 0.00 0.00 32.46 30.10 1fgg n ARG 277 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1fgg n GLY 278 N -0.81 5.05 0.97 2.89 0.00 -1.26 -4.47 105.19 107.57 1fgg n GLY 278 Ca 0.00 -1.48 0.08 0.00 0.00 0.00 0.00 46.02 44.62 1fgg n GLY 278 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fgg n HIS 279 N -1.07 1.02 0.01 1.61 -0.00 -0.29 -4.62 115.22 111.88 1fgg n HIS 279 Ca 0.50 -0.84 -0.12 0.00 -0.00 0.00 0.00 57.72 57.26 1fgg n HIS 279 Cb 1.22 -0.31 -0.08 0.00 -0.00 0.00 0.00 29.99 30.81 1fgg n HIS 279 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1fgg h LEU 280 N 2.04 0.03 -0.49 2.41 5.85 -1.78 -2.09 115.31 121.28 1fgg h LEU 280 Ca 0.00 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.56 1fgg h LEU 280 Cb 1.45 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 1fgg h LEU 280 CO 0.23 0.23 0.25 -0.33 -0.34 0.00 0.00 178.44 178.48 1fgg h GLU 281 N -0.16 0.48 0.00 1.25 3.07 -1.87 -1.97 114.58 115.38 1fgg h GLU 281 Ca 0.01 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 1fgg h GLU 281 Cb 0.21 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1fgg h GLU 281 CO -0.00 0.32 -0.18 0.77 -1.40 0.00 0.00 179.01 178.52 1fgg h SER 282 N 0.49 0.00 0.53 1.42 0.02 -1.77 -2.05 113.55 112.18 1fgg h SER 282 Ca 0.21 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1fgg h SER 282 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1fgg h SER 282 CO -0.15 0.18 -0.28 0.77 -1.14 0.00 0.00 176.83 176.21 1fgg h SER 283 N 0.00 0.00 0.00 3.07 4.64 -0.63 -1.64 113.55 118.99 1fgg h SER 283 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1fgg h SER 283 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1fgg h SER 283 CO 0.02 0.28 -0.78 0.25 -0.87 0.00 0.00 176.83 175.73 1fgg h LEU 284 N 0.00 0.00 -1.55 5.97 5.85 -1.42 -3.41 115.31 120.75 1fgg h LEU 284 Ca -0.00 -0.22 0.15 0.00 0.84 0.00 0.00 57.88 58.65 1fgg h LEU 284 Cb 0.62 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1fgg h LEU 284 CO 0.04 1.04 0.52 -0.07 -0.34 0.00 0.00 178.44 179.63 1fgg h LEU 285 N -1.00 0.41 -1.95 2.25 3.38 -1.41 -2.47 115.31 114.53 1fgg h LEU 285 Ca -0.14 0.02 0.10 0.00 0.09 0.00 0.00 57.88 57.95 1fgg h LEU 285 Cb 0.81 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1fgg h LEU 285 CO -0.08 0.21 0.26 0.28 0.09 0.00 0.00 178.44 179.20 1fgg h SER 286 N 0.44 0.05 1.01 -0.43 0.02 -1.52 0.28 113.55 113.40 1fgg h SER 286 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1fgg h SER 286 Cb 0.86 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1fgg h SER 286 CO -0.13 0.03 -0.00 1.41 -1.14 0.00 0.00 176.83 177.00 1fgg n HIS 287 N -4.44 0.03 -0.10 3.45 8.25 -0.93 -4.25 115.22 117.23 1fgg n HIS 287 Ca 0.06 0.01 -0.15 0.00 -0.26 0.00 0.00 57.72 57.38 1fgg n HIS 287 Cb 0.40 -0.51 -0.09 0.00 1.12 0.00 0.00 29.99 30.91 1fgg n HIS 287 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1fgg n LEU 288 N -1.52 2.83 -3.83 2.41 4.77 0.91 -4.93 117.00 117.65 1fgg n LEU 288 Ca 0.07 -0.07 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1fgg n LEU 288 Cb 0.34 -0.69 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1fgg n LEU 288 CO 0.27 0.80 0.56 0.68 -1.33 0.00 0.00 177.39 178.36 1fgg s VAL 289 N -2.40 0.00 -0.10 4.08 -7.23 -0.81 -5.00 120.40 108.94 1fgg s VAL 289 Ca -0.27 -0.93 -0.06 0.00 -1.81 0.00 0.00 61.98 58.90 1fgg s VAL 289 Cb 0.07 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1fgg s VAL 289 CO 0.45 0.00 0.14 -1.81 -0.31 0.00 0.00 175.10 173.57 1fgg s ASP 290 N -3.05 6.33 0.59 4.85 1.01 -1.26 -4.55 116.67 120.58 1fgg s ASP 290 Ca 0.15 0.44 0.30 0.00 0.71 0.00 0.00 52.55 54.14 1fgg s ASP 290 Cb -0.05 -2.03 1.37 0.00 1.01 0.00 0.00 42.92 43.22 1fgg s ASP 290 CO 0.09 0.39 1.75 1.55 0.21 0.00 0.00 175.17 179.15 1fgg h PRO 291 N 4.83 0.00 0.00 8.23 0.13 -1.96 0.27 132.00 143.50 1fgg h PRO 291 Ca -0.54 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 1fgg h PRO 291 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1fgg h PRO 291 CO 0.59 0.00 -0.13 1.57 -0.23 0.00 0.00 178.00 179.80 1fgg h LYS 292 N 0.00 0.00 -0.20 0.86 2.10 -1.94 -2.70 116.57 114.68 1fgg h LYS 292 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1fgg h LYS 292 Cb 1.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.06 1fgg h LYS 292 CO -0.00 0.13 0.00 -0.25 -2.00 0.00 0.00 179.45 177.33 1fgg n ASP 293 N -3.32 1.89 -4.76 7.07 10.43 0.96 -4.59 116.55 124.22 1fgg n ASP 293 Ca -0.00 -1.76 -0.41 0.00 2.57 0.00 0.00 54.79 55.19 1fgg n ASP 293 Cb 0.36 -0.13 -0.02 0.00 1.84 0.00 0.00 41.12 43.17 1fgg n ASP 293 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1fgg s LEU 294 N -1.52 4.39 -0.54 0.64 1.43 -1.02 -4.77 118.68 117.30 1fgg s LEU 294 Ca 0.32 2.75 -0.20 0.00 -1.03 0.00 0.00 54.13 55.97 1fgg s LEU 294 Cb 0.18 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.81 1fgg s LEU 294 CO 0.26 -0.66 0.73 -1.61 0.23 0.00 0.00 176.35 175.30 1fgg s GLU 295 N -1.36 3.16 0.08 1.70 2.02 -0.03 -4.48 118.70 119.80 1fgg s GLU 295 Ca 0.53 -0.79 -0.31 0.00 0.02 0.00 0.00 54.97 54.43 1fgg s GLU 295 Cb -0.42 -4.11 -0.07 0.00 0.10 0.00 0.00 34.13 29.63 1fgg s GLU 295 CO 0.52 -1.36 1.34 -1.25 0.02 0.00 0.00 175.26 174.52 1fgg s PRO 296 N 3.04 4.35 0.08 0.39 0.04 -1.26 -1.02 135.00 140.61 1fgg s PRO 296 Ca 0.19 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1fgg s PRO 296 Cb -0.18 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 1fgg s PRO 296 CO 0.13 -0.40 0.00 0.54 0.04 0.00 0.00 177.00 177.31 1fgg n ARG 297 N 4.14 1.62 -3.13 4.56 5.12 0.11 -4.60 116.66 124.49 1fgg n ARG 297 Ca 0.11 -0.60 -0.14 0.00 -1.93 0.00 0.00 57.85 55.29 1fgg n ARG 297 Cb 0.44 0.19 0.07 0.00 -1.16 0.00 0.00 32.46 32.00 1fgg n ARG 297 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1fgg n ALA 298 N -2.72 -1.95 -3.63 7.54 0.00 -1.26 -0.48 120.51 118.01 1fgg n ALA 298 Ca -0.03 0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1fgg n ALA 298 Cb 0.11 -3.46 0.04 0.00 0.00 0.00 0.00 19.45 16.13 1fgg n ALA 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fgg n ALA 299 N -3.37 -2.21 -3.66 0.00 0.00 -1.26 -1.83 120.51 108.18 1fgg n ALA 299 Ca -0.16 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 52.92 1fgg n ALA 299 Cb 0.63 -3.02 0.05 0.00 0.00 0.00 0.00 19.45 17.11 1fgg n ALA 299 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1fgg n ASN 300 N -3.00 -2.08 -3.77 0.00 3.02 -1.21 -2.82 115.26 105.41 1fgg n ASN 300 Ca -0.22 -0.76 -0.27 0.00 -0.03 0.00 0.00 54.58 53.31 1fgg n ASN 300 Cb 0.65 -4.33 0.05 0.00 -0.61 0.00 0.00 39.78 35.54 1fgg n ASN 300 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fgg n THR 302 N -4.74 0.00 -5.21 0.00 -2.24 -0.76 -4.76 114.28 96.57 1fgg n THR 302 Ca -0.01 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 61.04 1fgg n THR 302 Cb 0.56 1.10 -0.16 0.00 -2.10 0.00 0.00 70.33 69.72 1fgg n THR 302 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1fgg s ARG 303 N -1.15 2.35 -0.37 -0.78 0.52 -1.02 -5.05 118.95 113.45 1fgg s ARG 303 Ca 0.07 -0.87 -0.14 0.00 -0.52 0.00 0.00 55.73 54.27 1fgg s ARG 303 Cb 0.06 -2.04 -0.00 0.00 0.52 0.00 0.00 34.95 33.49 1fgg s ARG 303 CO 0.20 0.40 0.30 0.08 0.02 0.00 0.00 175.30 176.29 1fgg s VAL 304 N -0.23 5.24 -0.35 3.52 1.01 -1.26 -4.34 120.40 123.98 1fgg s VAL 304 Ca -0.01 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1fgg s VAL 304 Cb -0.13 -3.83 0.13 0.00 0.00 0.00 0.00 36.38 32.56 1fgg s VAL 304 CO 0.03 -0.15 1.11 0.18 0.00 0.00 0.00 175.10 176.26 1fgg n LEU 305 N 5.22 2.39 -3.70 3.92 4.77 -1.26 -5.00 117.00 123.34 1fgg n LEU 305 Ca -0.11 -2.05 -0.14 0.00 -0.03 0.00 0.00 56.01 53.68 1fgg n LEU 305 Cb 0.49 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.38 1fgg n LEU 305 CO 0.40 0.59 0.14 0.54 -1.33 0.00 0.00 177.39 177.73 1fgg s VAL 306 N -1.08 0.02 -0.03 4.08 0.11 -1.26 -2.22 120.40 120.02 1fgg s VAL 306 Ca 0.10 -0.17 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 1fgg s VAL 306 Cb 0.06 -0.69 -0.00 0.00 -1.53 0.00 0.00 36.38 34.22 1fgg s VAL 306 CO 0.06 -0.10 -0.11 0.26 -3.33 0.00 0.00 175.10 171.88 1fgg s TRP 307 N -0.57 1.12 -1.39 1.54 0.51 0.02 -1.69 118.94 118.49 1fgg s TRP 307 Ca -0.07 -0.28 -0.10 0.00 -2.12 0.00 0.00 56.10 53.54 1fgg s TRP 307 Cb -0.03 -0.77 0.09 0.00 -0.81 0.00 0.00 33.47 31.94 1fgg s TRP 307 CO 0.03 -0.10 2.25 1.58 -0.51 0.00 0.00 176.95 180.20 1fgg n HIS 308 N 3.17 2.90 -2.52 -1.98 -0.00 -0.45 -1.03 115.22 115.31 1fgg n HIS 308 Ca -0.17 -2.89 -0.33 0.00 -0.00 0.00 0.00 57.72 54.33 1fgg n HIS 308 Cb 0.54 -2.14 -0.04 0.00 -0.00 0.00 0.00 29.99 28.35 1fgg n HIS 308 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1fgg s THR 309 N 0.94 4.19 0.01 3.57 -4.23 -1.26 -4.79 115.64 114.06 1fgg s THR 309 Ca 0.49 1.23 0.02 0.00 -1.18 0.00 0.00 61.69 62.25 1fgg s THR 309 Cb 0.14 -3.56 -0.01 0.00 1.34 0.00 0.00 72.50 70.41 1fgg s THR 309 CO -0.05 -0.43 -0.06 -0.13 -0.54 0.00 0.00 174.62 173.41 1fgg s ARG 310 N -3.57 0.49 0.05 3.99 0.52 -1.26 -3.96 118.95 115.21 1fgg s ARG 310 Ca 0.63 -0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 55.38 1fgg s ARG 310 Cb -0.12 -0.42 -0.06 0.00 0.52 0.00 0.00 34.95 34.87 1fgg s ARG 310 CO 0.23 0.11 0.38 0.99 0.02 0.00 0.00 175.30 177.03 1fgg s THR 311 N -0.46 5.12 0.37 0.02 2.01 -1.26 -5.07 115.64 116.36 1fgg s THR 311 Ca -0.01 0.50 -0.26 0.00 0.31 0.00 0.00 61.69 62.23 1fgg s THR 311 Cb -0.04 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.74 1fgg s THR 311 CO -0.00 0.38 1.13 -1.61 -0.69 0.00 0.00 174.62 173.82 1fgg s GLU 312 N -1.67 4.24 0.05 4.92 2.02 -1.26 -4.98 118.70 122.01 1fgg s GLU 312 Ca 0.30 1.76 -0.31 0.00 0.02 0.00 0.00 54.97 56.74 1fgg s GLU 312 Cb -0.14 -2.78 -0.05 0.00 0.10 0.00 0.00 34.13 31.25 1fgg s GLU 312 CO 0.16 -0.14 1.22 0.21 0.02 0.00 0.00 175.26 176.73 1fgg s LYS 313 N -2.12 4.41 0.63 1.61 2.20 -1.26 -4.97 119.74 120.23 1fgg s LYS 313 Ca 0.54 1.79 -0.19 0.00 -0.36 0.00 0.00 55.97 57.75 1fgg s LYS 313 Cb -0.29 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 1fgg s LYS 313 CO 0.37 -0.31 1.31 -2.30 -0.36 0.00 0.00 175.35 174.06 1fgg n PRO 314 N 4.16 1.23 -2.82 4.03 -0.02 -1.26 -4.98 135.00 135.33 1fgg n PRO 314 Ca 0.10 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 1fgg n PRO 314 Cb 0.46 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 1fgg n PRO 314 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1fgg s LYS 315 N -3.28 4.53 -0.07 -0.52 -0.14 -1.26 -4.96 119.74 114.05 1fgg s LYS 315 Ca 0.81 1.25 0.11 0.00 -1.36 0.00 0.00 55.97 56.77 1fgg s LYS 315 Cb -0.39 -3.45 0.19 0.00 -1.68 0.00 0.00 37.83 32.51 1fgg s LYS 315 CO 0.42 0.01 1.09 -1.33 -0.76 0.00 0.00 175.35 174.79 1fgg n MET 316 N 3.75 0.61 -0.14 1.68 2.81 -1.26 -4.84 117.12 119.74 1fgg n MET 316 Ca 0.03 -1.90 -0.07 0.00 -1.81 0.00 0.00 57.70 53.95 1fgg n MET 316 Cb 0.51 -0.91 0.02 0.00 -0.71 0.00 0.00 33.22 32.12 1fgg n MET 316 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1fgg h LYS 317 N 0.21 0.51 -0.46 0.03 1.57 -2.00 -1.75 116.57 114.67 1fgg h LYS 317 Ca -0.03 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1fgg h LYS 317 Cb 1.27 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1fgg h LYS 317 CO 0.01 0.34 0.17 1.96 -0.57 0.00 0.00 179.45 181.36 1fgg h GLN 318 N 0.53 0.70 -0.75 3.15 7.50 -2.00 -2.18 115.11 122.05 1fgg h GLN 318 Ca 0.17 -0.14 0.06 0.00 0.50 0.00 0.00 58.65 59.24 1fgg h GLN 318 Cb -0.01 -0.11 -0.06 0.00 0.05 0.00 0.00 27.48 27.36 1fgg h GLN 318 CO -0.07 0.65 0.44 1.49 -1.50 0.00 0.00 178.83 179.85 1fgg h GLU 319 N 0.61 0.79 -0.38 1.46 4.57 -1.85 -0.62 114.58 119.16 1fgg h GLU 319 Ca 0.15 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1fgg h GLU 319 Cb 0.22 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1fgg h GLU 319 CO -0.01 0.52 0.24 0.93 -1.18 0.00 0.00 179.01 179.51 1fgg h GLU 320 N 0.82 0.47 -0.23 1.92 5.08 -0.99 -2.21 114.58 119.43 1fgg h GLU 320 Ca 0.33 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1fgg h GLU 320 Cb 0.17 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1fgg h GLU 320 CO -0.17 0.31 0.11 1.96 -1.00 0.00 0.00 179.01 180.21 1fgg h GLN 321 N 0.48 0.33 -0.97 2.33 4.20 -0.75 -2.96 115.11 117.78 1fgg h GLN 321 Ca 0.14 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.89 1fgg h GLN 321 Cb -0.03 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.62 1fgg h GLN 321 CO -0.05 0.35 0.61 -0.07 -0.67 0.00 0.00 178.83 179.01 1fgg h LEU 322 N 0.24 0.95 -0.62 1.46 3.38 -0.96 -2.15 115.31 117.61 1fgg h LEU 322 Ca 0.08 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1fgg h LEU 322 Cb 0.13 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1fgg h LEU 322 CO -0.01 0.57 0.40 1.56 0.09 0.00 0.00 178.44 181.05 1fgg h GLN 323 N 1.06 0.79 -0.63 1.13 4.20 -1.24 -0.19 115.11 120.22 1fgg h GLN 323 Ca 0.44 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 59.16 1fgg h GLN 323 Cb 0.29 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 1fgg h GLN 323 CO -0.21 0.52 0.42 0.00 -0.67 0.00 0.00 178.83 178.89 1fgg h ARG 324 N 0.81 0.65 -0.00 1.46 3.08 -1.27 0.22 114.38 119.33 1fgg h ARG 324 Ca 0.23 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1fgg h ARG 324 Cb -0.06 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1fgg h ARG 324 CO -0.06 0.43 -0.01 1.04 -1.07 0.00 0.00 179.97 180.29 1fgg n GLN 325 N -4.47 0.66 -1.42 0.04 6.02 -0.76 -4.90 117.38 112.55 1fgg n GLN 325 Ca 0.09 -0.03 -0.01 0.00 -0.01 0.00 0.00 57.00 57.04 1fgg n GLN 325 Cb 0.20 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.96 1fgg n GLN 325 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fgg n GLY 326 N 1.18 0.39 2.63 1.08 0.00 0.78 -4.97 105.19 106.29 1fgg n GLY 326 Ca 0.18 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 1fgg n GLY 326 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1fgg n ARG 327 N -2.19 1.84 -1.51 1.61 1.85 -0.16 -5.00 116.66 113.10 1fgg n ARG 327 Ca -0.01 -3.58 -0.31 0.00 -1.00 0.00 0.00 57.85 52.96 1fgg n ARG 327 Cb 0.22 -1.57 0.07 0.00 -1.05 0.00 0.00 32.46 30.13 1fgg n ARG 327 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1fgg s GLY 328 N -3.41 1.65 0.03 2.89 0.00 -1.21 -4.61 107.32 102.65 1fgg s GLY 328 Ca 0.32 -0.00 -0.36 0.00 0.00 0.00 0.00 44.72 44.68 1fgg s GLY 328 CO -0.02 0.36 1.58 1.44 0.00 0.00 0.00 173.10 176.47 1fgg n SER 329 N -3.32 2.60 -4.33 1.64 7.64 -1.26 -4.75 113.62 111.85 1fgg n SER 329 Ca 0.07 1.07 -0.58 0.00 1.01 0.00 0.00 58.87 60.45 1fgg n SER 329 Cb 0.54 -1.30 -0.11 0.00 -1.01 0.00 0.00 64.21 62.34 1fgg n SER 329 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1fgg n ASP 330 N 4.02 1.15 0.27 6.43 -0.08 -1.26 -4.80 116.55 122.28 1fgg n ASP 330 Ca 0.20 0.64 0.18 0.00 -1.51 0.00 0.00 54.79 54.30 1fgg n ASP 330 Cb 0.24 -1.00 0.79 0.00 2.34 0.00 0.00 41.12 43.49 1fgg n ASP 330 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1fgg h PRO 331 N 9.65 0.00 0.00 -0.67 0.13 -2.04 -2.32 132.00 136.75 1fgg h PRO 331 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1fgg h PRO 331 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1fgg h PRO 331 CO 1.06 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.83 1fgg n ALA 332 N -2.04 2.44 -3.63 -0.56 0.00 -1.26 -4.47 120.51 110.99 1fgg n ALA 332 Ca -0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 52.95 1fgg n ALA 332 Cb 0.23 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.20 1fgg n ALA 332 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fgg s ILE 333 N -2.00 3.05 0.25 0.00 1.01 -0.87 -5.09 121.20 117.55 1fgg s ILE 333 Ca 0.32 -1.40 -0.30 0.00 0.00 0.00 0.00 60.65 59.26 1fgg s ILE 333 Cb 0.15 -2.77 -0.10 0.00 0.01 0.00 0.00 42.46 39.75 1fgg s ILE 333 CO 0.25 -0.14 1.43 -0.70 0.00 0.00 0.00 174.94 175.78 1fgg s GLU 334 N 1.25 4.27 0.00 2.79 2.12 -1.26 -4.95 118.70 122.92 1fgg s GLU 334 Ca -0.04 2.29 0.00 0.00 0.36 0.00 0.00 54.97 57.58 1fgg s GLU 334 Cb -0.20 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.08 1fgg s GLU 334 CO -0.01 -0.41 0.39 0.28 -0.54 0.00 0.00 175.26 174.97