#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 4.89 -0.22 1.12 2.01 -1.26 -4.85 115.64 117.33 1fgg s THR 76 Ca 0.00 1.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.99 1fgg s THR 76 Cb 0.00 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 1fgg s THR 76 CO 0.00 0.54 0.05 -0.63 -0.69 0.00 0.00 174.62 173.89 1fgg s ILE 77 N -0.91 4.35 -0.42 1.82 1.01 -0.19 -1.42 121.20 125.44 1fgg s ILE 77 Ca 0.27 -0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.60 1fgg s ILE 77 Cb -0.18 -3.00 0.03 0.00 0.01 0.00 0.00 42.46 39.32 1fgg s ILE 77 CO 0.16 0.39 0.32 -0.31 0.00 0.00 0.00 174.94 175.50 1fgg s TYR 78 N 1.18 3.24 -0.43 3.97 1.51 0.84 -0.83 117.35 126.84 1fgg s TYR 78 Ca 0.04 -0.68 -0.20 0.00 -1.01 0.00 0.00 57.07 55.23 1fgg s TYR 78 Cb -0.14 -2.72 0.02 0.00 -0.11 0.00 0.00 41.96 39.01 1fgg s TYR 78 CO 0.03 -0.64 0.58 0.08 -1.11 0.00 0.00 175.55 174.49 1fgg s VAL 79 N 1.67 4.91 -0.37 0.71 1.01 -0.60 -0.66 120.40 127.06 1fgg s VAL 79 Ca 0.05 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 1fgg s VAL 79 Cb -0.20 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1fgg s VAL 79 CO 0.09 -0.52 0.56 -0.69 0.00 0.00 0.00 175.10 174.54 1fgg s VAL 80 N 2.62 4.96 -0.20 2.92 1.01 0.76 -0.33 120.40 132.14 1fgg s VAL 80 Ca 0.20 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1fgg s VAL 80 Cb -0.15 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.24 1fgg s VAL 80 CO 0.17 -0.32 -0.10 -0.89 0.00 0.00 0.00 175.10 173.96 1fgg s THR 81 N 2.51 1.64 0.09 3.92 2.01 -0.09 -1.58 115.64 124.14 1fgg s THR 81 Ca 0.20 -1.01 -0.21 0.00 0.31 0.00 0.00 61.69 60.98 1fgg s THR 81 Cb -0.15 -1.72 -0.07 0.00 0.01 0.00 0.00 72.50 70.57 1fgg s THR 81 CO 0.15 0.16 0.63 -2.16 -0.69 0.00 0.00 174.62 172.70 1fgg s PRO 82 N 1.40 4.31 0.12 4.92 0.04 -1.26 -1.30 135.00 143.22 1fgg s PRO 82 Ca -0.01 0.84 -0.02 0.00 0.04 0.00 0.00 61.00 61.85 1fgg s PRO 82 Cb -0.16 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 1fgg s PRO 82 CO -0.08 0.59 0.07 -0.08 0.04 0.00 0.00 177.00 177.54 1fgg s THR 83 N -1.00 0.12 0.08 1.26 -1.32 -0.49 -4.14 115.64 110.16 1fgg s THR 83 Ca 0.31 -1.80 -0.15 0.00 -1.21 0.00 0.00 61.69 58.84 1fgg s THR 83 Cb -0.20 -1.90 0.03 0.00 -1.51 0.00 0.00 72.50 68.91 1fgg s THR 83 CO 0.21 -0.54 0.35 -0.72 -2.21 0.00 0.00 174.62 171.70 1fgg s TYR 84 N -4.01 -0.14 0.07 9.09 -0.85 -1.26 -0.10 117.35 120.14 1fgg s TYR 84 Ca 0.20 -0.10 -0.31 0.00 -0.52 0.00 0.00 57.07 56.34 1fgg s TYR 84 Cb 0.07 0.17 -0.06 0.00 0.38 0.00 0.00 41.96 42.52 1fgg s TYR 84 CO -0.01 -0.61 1.21 0.00 -1.52 0.00 0.00 175.55 174.62 1fgg s ALA 85 N -3.26 3.40 0.03 9.51 0.00 -1.26 -4.72 121.76 125.46 1fgg s ALA 85 Ca -0.00 0.87 -0.28 0.00 0.00 0.00 0.00 51.96 52.54 1fgg s ALA 85 Cb 0.01 -3.45 0.09 0.00 0.00 0.00 0.00 23.12 19.78 1fgg s ALA 85 CO -0.08 -0.44 1.02 -0.98 0.00 0.00 0.00 175.76 175.29 1fgg s ARG 86 N 1.00 0.83 0.27 0.00 3.03 -1.26 -5.01 118.95 117.80 1fgg s ARG 86 Ca 0.59 -0.40 -0.02 0.00 2.03 0.00 0.00 55.73 57.93 1fgg s ARG 86 Cb -0.30 0.32 0.59 0.00 -1.03 0.00 0.00 34.95 34.53 1fgg s ARG 86 CO 0.30 -0.38 1.65 -0.07 -1.13 0.00 0.00 175.30 175.67 1fgg h LEU 87 N 2.00 -0.07 -0.32 -1.89 3.38 -1.94 -1.58 115.31 114.89 1fgg h LEU 87 Ca -0.23 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1fgg h LEU 87 Cb 1.22 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1fgg h LEU 87 CO 0.27 -0.13 -0.07 1.33 0.09 0.00 0.00 178.44 179.94 1fgg n VAL 88 N -5.23 0.00 -0.03 1.22 0.24 -1.26 -4.46 118.33 108.81 1fgg n VAL 88 Ca 0.18 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.34 62.26 1fgg n VAL 88 Cb 0.58 -0.06 -0.08 0.00 -1.47 0.00 0.00 33.84 32.81 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 0.78 -0.49 -0.35 7.34 4.15 -1.57 0.19 115.11 125.16 1fgg h GLN 89 Ca 0.00 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.51 1fgg h GLN 89 Cb 0.32 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.07 1fgg h GLN 89 CO 0.00 -0.33 0.06 -0.22 -1.93 0.00 0.00 178.83 176.41 1fgg h LYS 90 N -0.51 0.17 -0.31 1.69 3.64 -1.80 0.11 116.57 119.56 1fgg h LYS 90 Ca 0.06 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1fgg h LYS 90 Cb 0.65 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 1fgg h LYS 90 CO -0.45 0.12 -0.11 0.00 -2.27 0.00 0.00 179.45 176.74 1fgg h ALA 91 N 1.27 0.16 -0.19 5.00 0.00 -1.69 0.22 119.26 124.03 1fgg h ALA 91 Ca 0.17 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1fgg h ALA 91 Cb 0.19 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1fgg h ALA 91 CO -0.23 -0.49 -0.06 0.93 0.00 0.00 0.00 179.25 179.40 1fgg h GLU 92 N -0.04 -0.02 -0.27 0.00 4.39 -0.22 -2.16 114.58 116.26 1fgg h GLU 92 Ca 0.16 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 1fgg h GLU 92 Cb 0.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1fgg h GLU 92 CO -0.35 -0.01 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.37 1fgg h LEU 93 N -0.02 0.40 0.57 1.33 3.38 -0.33 -1.64 115.31 119.01 1fgg h LEU 93 Ca 0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1fgg h LEU 93 Cb 0.16 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1fgg h LEU 93 CO -0.20 0.50 -0.27 0.58 0.09 0.00 0.00 178.44 179.14 1fgg h VAL 94 N 0.41 0.40 0.00 1.22 2.07 -0.06 -0.38 116.25 119.90 1fgg h VAL 94 Ca 0.09 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1fgg h VAL 94 Cb 0.35 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1fgg h VAL 94 CO 0.02 0.03 -0.17 0.08 0.02 0.00 0.00 177.57 177.54 1fgg h ARG 95 N -0.89 0.00 -0.01 1.57 0.11 -1.33 -1.55 114.38 112.28 1fgg h ARG 95 Ca -0.08 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.97 1fgg h ARG 95 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1fgg h ARG 95 CO 0.13 0.17 -0.14 1.25 0.10 0.00 0.00 179.97 181.48 1fgg h LEU 96 N 0.00 0.13 -1.42 0.08 5.85 -1.23 -2.85 115.31 115.87 1fgg h LEU 96 Ca -0.00 -0.76 -0.05 0.00 0.84 0.00 0.00 57.88 57.91 1fgg h LEU 96 Cb 0.61 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1fgg h LEU 96 CO 0.02 0.87 -0.19 0.77 -0.34 0.00 0.00 178.44 179.58 1fgg h SER 97 N -0.59 0.14 0.25 1.25 4.64 -0.96 -1.37 113.55 116.90 1fgg h SER 97 Ca -0.02 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 1fgg h SER 97 Cb 0.89 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 1fgg h SER 97 CO 0.03 0.34 -0.44 1.56 -0.87 0.00 0.00 176.83 177.44 1fgg h GLN 98 N 0.14 0.25 -0.21 4.77 4.20 -1.33 -1.19 115.11 121.73 1fgg h GLN 98 Ca 0.03 -0.13 -0.20 0.00 0.06 0.00 0.00 58.65 58.41 1fgg h GLN 98 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1fgg h GLN 98 CO 0.03 0.65 -0.65 1.15 -0.67 0.00 0.00 178.83 179.33 1fgg h THR 99 N 0.20 1.29 0.00 -0.54 2.02 -1.15 -3.21 112.91 111.52 1fgg h THR 99 Ca 0.01 -1.86 -0.09 0.00 0.77 0.00 0.00 66.41 65.25 1fgg h THR 99 Cb 0.87 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 1fgg h THR 99 CO 0.07 0.59 -0.41 -0.07 0.37 0.00 0.00 175.52 176.08 1fgg h LEU 100 N 0.57 0.00 0.00 2.58 3.38 -0.92 -2.58 115.31 118.35 1fgg h LEU 100 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1fgg h LEU 100 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1fgg h LEU 100 CO 0.14 0.41 0.00 -1.54 0.09 0.00 0.00 178.44 177.53 1fgg n SER 101 N -4.04 0.00 -0.52 -0.43 3.41 -0.48 -1.03 113.62 110.53 1fgg n SER 101 Ca -0.02 -0.31 0.11 0.00 -0.26 0.00 0.00 58.87 58.40 1fgg n SER 101 Cb 0.44 -0.05 0.07 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.05 2.01 -4.43 1.04 4.77 -0.97 -4.90 117.00 113.48 1fgg n LEU 102 Ca 0.09 -0.72 -0.35 0.00 -0.03 0.00 0.00 56.01 55.00 1fgg n LEU 102 Cb 0.05 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.00 1fgg n LEU 102 CO 0.08 0.37 -0.33 -0.69 -1.33 0.00 0.00 177.39 175.48 1fgg s VAL 103 N -2.41 3.93 0.69 4.08 1.01 -0.20 -5.09 120.40 122.41 1fgg s VAL 103 Ca 0.21 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1fgg s VAL 103 Cb 0.19 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1fgg s VAL 103 CO 0.53 0.41 1.06 -2.16 0.00 0.00 0.00 175.10 174.94 1fgg s PRO 104 N 1.19 2.96 -1.45 2.72 0.04 -1.26 -4.00 135.00 135.19 1fgg s PRO 104 Ca 0.03 0.99 -0.02 0.00 0.04 0.00 0.00 61.00 62.04 1fgg s PRO 104 Cb -0.14 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1fgg s PRO 104 CO 0.01 -1.09 0.45 0.54 0.04 0.00 0.00 177.00 176.96 1fgg n ARG 105 N -3.03 -3.22 -5.21 4.56 5.12 -1.26 -4.83 116.66 108.79 1fgg n ARG 105 Ca 0.08 0.39 -0.31 0.00 -1.93 0.00 0.00 57.85 56.08 1fgg n ARG 105 Cb 0.53 -4.57 -0.17 0.00 -1.16 0.00 0.00 32.46 27.10 1fgg n ARG 105 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1fgg s LEU 106 N -7.03 2.05 -0.20 0.55 0.20 -1.26 -1.02 118.68 111.98 1fgg s LEU 106 Ca 0.10 -0.51 0.01 0.00 0.69 0.00 0.00 54.13 54.43 1fgg s LEU 106 Cb -0.05 -1.34 0.04 0.00 -0.43 0.00 0.00 46.19 44.40 1fgg s LEU 106 CO 0.90 0.21 -0.15 -2.28 -0.29 0.00 0.00 176.35 174.73 1fgg s HIS 107 N 0.01 2.79 -0.26 5.38 5.65 -0.01 -4.34 115.29 124.50 1fgg s HIS 107 Ca -0.08 -1.78 -0.21 0.00 0.25 0.00 0.00 55.06 53.24 1fgg s HIS 107 Cb -0.15 -1.84 -0.02 0.00 -1.18 0.00 0.00 32.58 29.40 1fgg s HIS 107 CO 0.05 -0.80 0.67 -0.46 -0.65 0.00 0.00 174.74 173.54 1fgg s TRP 108 N 1.28 3.28 -0.67 3.88 -0.00 -0.09 -1.56 118.94 125.06 1fgg s TRP 108 Ca 0.00 0.86 -0.09 0.00 -0.00 0.00 0.00 56.10 56.87 1fgg s TRP 108 Cb -0.15 -2.90 0.17 0.00 -0.00 0.00 0.00 33.47 30.59 1fgg s TRP 108 CO -0.10 -0.36 0.55 -0.51 -0.00 0.00 0.00 176.95 176.54 1fgg s LEU 109 N 2.58 5.95 -0.33 5.86 1.43 0.55 -0.99 118.68 133.73 1fgg s LEU 109 Ca 0.28 -2.57 -0.17 0.00 -1.03 0.00 0.00 54.13 50.64 1fgg s LEU 109 Cb -0.15 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 1fgg s LEU 109 CO 0.09 -0.53 0.45 -0.22 0.23 0.00 0.00 176.35 176.37 1fgg s LEU 110 N 0.36 4.33 -0.26 1.79 2.96 -1.02 -0.91 118.68 125.92 1fgg s LEU 110 Ca 0.15 -0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1fgg s LEU 110 Cb -0.18 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.03 1fgg s LEU 110 CO -0.05 -0.39 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.89 1fgg s VAL 111 N 2.24 3.34 0.13 1.68 1.01 -0.42 -1.77 120.40 126.60 1fgg s VAL 111 Ca 0.16 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 61.06 1fgg s VAL 111 Cb -0.16 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.47 1fgg s VAL 111 CO 0.12 0.19 0.80 -1.61 0.00 0.00 0.00 175.10 174.61 1fgg s GLU 112 N 1.41 4.58 -1.15 2.72 2.02 -0.18 -1.39 118.70 126.70 1fgg s GLU 112 Ca 0.02 1.19 -0.14 0.00 0.02 0.00 0.00 54.97 56.06 1fgg s GLU 112 Cb -0.16 -3.31 0.18 0.00 0.10 0.00 0.00 34.13 30.94 1fgg s GLU 112 CO -0.02 0.44 1.34 0.34 0.02 0.00 0.00 175.26 177.38 1fgg s ASP 113 N -0.70 7.06 0.31 -0.19 2.15 0.85 -2.22 116.67 123.92 1fgg s ASP 113 Ca 0.38 -2.98 -0.12 0.00 0.43 0.00 0.00 52.55 50.25 1fgg s ASP 113 Cb -0.23 -2.37 0.01 0.00 -0.30 0.00 0.00 42.92 40.04 1fgg s ASP 113 CO 0.26 -0.70 0.58 0.00 -0.17 0.00 0.00 175.17 175.14 1fgg s ALA 114 N 1.22 -0.26 -1.00 3.66 0.00 -1.24 -4.61 121.76 119.52 1fgg s ALA 114 Ca 0.39 -0.91 0.25 0.00 0.00 0.00 0.00 51.96 51.69 1fgg s ALA 114 Cb -0.04 0.97 1.06 0.00 0.00 0.00 0.00 23.12 25.11 1fgg s ALA 114 CO -0.02 -0.90 1.79 0.39 0.00 0.00 0.00 175.76 177.02 1fgg n GLU 115 N -0.47 0.00 0.00 0.00 1.02 -1.26 -2.89 120.64 117.04 1fgg n GLU 115 Ca -0.03 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1fgg n GLU 115 Cb 0.61 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1fgg n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fgg n GLY 116 N 1.06 0.47 3.73 0.62 0.00 -1.26 -4.99 105.19 104.83 1fgg n GLY 116 Ca 0.06 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 1fgg n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fgg n PRO 117 N -0.05 2.71 -3.47 1.61 -0.04 -1.26 -4.97 135.00 129.53 1fgg n PRO 117 Ca 0.00 0.97 -0.37 0.00 -0.04 0.00 0.00 63.50 64.06 1fgg n PRO 117 Cb 0.00 -2.78 -0.06 0.00 -0.04 0.00 0.00 33.50 30.62 1fgg n PRO 117 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1fgg s THR 118 N 0.60 4.98 0.41 0.52 -4.23 -1.26 -4.97 115.64 111.69 1fgg s THR 118 Ca 0.70 0.79 0.11 0.00 -1.18 0.00 0.00 61.69 62.11 1fgg s THR 118 Cb -0.51 -3.72 0.31 0.00 1.34 0.00 0.00 72.50 69.92 1fgg s THR 118 CO 0.40 0.45 1.98 -0.65 -0.54 0.00 0.00 174.62 176.27 1fgg h PRO 119 N 4.27 0.51 0.36 3.99 0.11 -1.98 -0.76 132.00 138.50 1fgg h PRO 119 Ca -0.50 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1fgg h PRO 119 Cb 1.21 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1fgg h PRO 119 CO 0.63 0.34 -0.33 1.25 -0.21 0.00 0.00 178.00 179.69 1fgg h LEU 120 N 0.53 -0.87 -0.13 2.35 6.46 -1.98 0.32 115.31 121.98 1fgg h LEU 120 Ca 0.28 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 58.08 1fgg h LEU 120 Cb 0.40 0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1fgg h LEU 120 CO -0.08 -0.47 -0.02 0.58 -0.62 0.00 0.00 178.44 177.83 1fgg h VAL 121 N -0.70 1.28 -0.67 1.05 2.07 -1.87 -0.37 116.25 117.03 1fgg h VAL 121 Ca -0.03 -0.91 0.11 0.00 0.82 0.00 0.00 66.70 66.69 1fgg h VAL 121 Cb 0.63 1.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 1fgg h VAL 121 CO -0.04 0.26 0.26 0.28 0.02 0.00 0.00 177.57 178.36 1fgg h SER 122 N -0.05 0.26 -0.48 0.57 0.02 -1.08 0.71 113.55 113.50 1fgg h SER 122 Ca 0.03 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 1fgg h SER 122 Cb 0.42 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1fgg h SER 122 CO 0.01 0.14 -0.09 1.23 -1.14 0.00 0.00 176.83 176.98 1fgg h GLY 123 N 0.44 0.98 1.00 -3.77 0.00 -0.22 -1.63 103.07 99.88 1fgg h GLY 123 Ca 0.35 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 1fgg h GLY 123 CO -0.34 0.72 0.20 -2.00 0.00 0.00 0.00 176.54 175.13 1fgg h LEU 124 N 0.76 0.86 -0.34 3.11 6.46 -0.20 -2.01 115.31 123.95 1fgg h LEU 124 Ca 0.13 -0.20 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1fgg h LEU 124 Cb 0.63 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1fgg h LEU 124 CO 0.04 0.82 0.10 -0.07 -0.62 0.00 0.00 178.44 178.71 1fgg h LEU 125 N 0.84 0.50 -1.13 2.25 3.38 -0.80 -2.24 115.31 118.11 1fgg h LEU 125 Ca 0.19 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1fgg h LEU 125 Cb 0.26 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1fgg h LEU 125 CO -0.01 0.58 0.20 0.00 0.09 0.00 0.00 178.44 179.30 1fgg h ALA 126 N 0.93 1.31 -0.07 1.53 0.00 -1.15 -2.65 119.26 119.15 1fgg h ALA 126 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1fgg h ALA 126 Cb 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1fgg h ALA 126 CO -0.00 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1fgg n ALA 127 N -2.46 2.56 0.17 0.00 0.00 -0.77 -4.15 120.51 115.86 1fgg n ALA 127 Ca 0.04 -0.47 0.09 0.00 0.00 0.00 0.00 53.44 53.10 1fgg n ALA 127 Cb 0.18 -1.14 0.09 0.00 0.00 0.00 0.00 19.45 18.58 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 2.32 0.00 -0.34 0.00 4.64 -1.02 -3.48 113.55 115.66 1fgg h SER 128 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1fgg h SER 128 Cb 0.50 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.53 1fgg h SER 128 CO 0.00 0.14 -0.13 0.61 -0.87 0.00 0.00 176.83 176.58 1fgg n GLY 129 N 1.16 0.91 3.95 -0.77 0.00 -1.26 -4.99 105.19 104.20 1fgg n GLY 129 Ca 0.02 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.64 4.33 -0.09 0.99 1.43 -1.26 -5.07 118.68 117.37 1fgg s LEU 130 Ca 0.00 0.16 -0.28 0.00 -1.03 0.00 0.00 54.13 52.97 1fgg s LEU 130 Cb 0.00 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 1fgg s LEU 130 CO 0.00 0.02 0.94 -0.22 0.23 0.00 0.00 176.35 177.32 1fgg s LEU 131 N -3.43 4.27 0.23 1.79 2.96 -1.26 -5.00 118.68 118.25 1fgg s LEU 131 Ca 0.35 1.47 -0.16 0.00 -0.22 0.00 0.00 54.13 55.57 1fgg s LEU 131 Cb -0.11 -3.46 0.01 0.00 0.50 0.00 0.00 46.19 43.13 1fgg s LEU 131 CO 0.29 -0.37 0.54 0.72 -1.32 0.00 0.00 176.35 176.21 1fgg s PHE 132 N 1.69 0.08 -0.03 5.38 -0.12 -1.26 -0.91 117.98 122.81 1fgg s PHE 132 Ca 0.47 -0.46 0.01 0.00 -0.05 0.00 0.00 56.93 56.90 1fgg s PHE 132 Cb -0.19 0.36 0.02 0.00 -0.63 0.00 0.00 43.02 42.59 1fgg s PHE 132 CO 0.19 -1.01 -0.02 0.99 -0.05 0.00 0.00 175.22 175.33 1fgg s THR 133 N -3.94 0.31 -0.20 -4.49 2.01 -0.16 -0.72 115.64 108.45 1fgg s THR 133 Ca 0.15 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.06 1fgg s THR 133 Cb -0.02 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 1fgg s THR 133 CO 0.04 0.17 0.08 -2.28 -0.69 0.00 0.00 174.62 171.94 1fgg s HIS 134 N 0.87 3.26 0.09 4.92 2.46 -0.13 -2.44 115.29 124.31 1fgg s HIS 134 Ca -0.10 0.07 0.04 0.00 0.47 0.00 0.00 55.06 55.54 1fgg s HIS 134 Cb -0.13 -2.12 -0.03 0.00 -0.13 0.00 0.00 32.58 30.17 1fgg s HIS 134 CO -0.01 0.11 -0.10 -0.51 -2.47 0.00 0.00 174.74 171.76 1fgg s LEU 135 N 0.56 2.38 0.01 8.88 1.43 -0.73 -0.81 118.68 130.40 1fgg s LEU 135 Ca 0.04 -0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1fgg s LEU 135 Cb -0.13 -0.30 -0.01 0.00 0.03 0.00 0.00 46.19 45.78 1fgg s LEU 135 CO 0.01 -0.24 -0.02 -0.69 0.23 0.00 0.00 176.35 175.64 1fgg s VAL 136 N -2.23 0.08 -0.30 -1.59 1.01 -1.26 -1.01 120.40 115.11 1fgg s VAL 136 Ca 0.03 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 1fgg s VAL 136 Cb -0.04 -0.21 0.18 0.00 0.00 0.00 0.00 36.38 36.31 1fgg s VAL 136 CO 0.00 -0.38 1.13 0.54 0.00 0.00 0.00 175.10 176.38 1fgg s VAL 137 N -1.12 -0.17 0.13 2.92 0.11 -0.94 -4.96 120.40 116.37 1fgg s VAL 137 Ca -0.12 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.71 1fgg s VAL 137 Cb -0.08 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.70 1fgg s VAL 137 CO -0.01 0.00 0.67 -0.22 -3.33 0.00 0.00 175.10 172.21 1fgg s LEU 138 N 1.82 4.51 -0.27 2.54 2.96 -1.14 -3.68 118.68 125.43 1fgg s LEU 138 Ca -0.04 1.42 0.00 0.00 -0.22 0.00 0.00 54.13 55.29 1fgg s LEU 138 Cb -0.03 -3.17 0.05 0.00 0.50 0.00 0.00 46.19 43.53 1fgg s LEU 138 CO -0.15 0.20 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.12 1fgg s THR 139 N -1.21 2.57 -1.22 3.68 2.01 -1.26 -4.96 115.64 115.24 1fgg s THR 139 Ca 0.34 -1.38 0.05 0.00 0.31 0.00 0.00 61.69 61.01 1fgg s THR 139 Cb -0.20 -2.43 0.07 0.00 0.01 0.00 0.00 72.50 69.95 1fgg s THR 139 CO 0.22 0.03 1.08 -0.81 -0.69 0.00 0.00 174.62 174.45 1fgg n PRO 140 N 4.55 0.04 0.00 4.92 -0.04 -1.26 -5.03 135.00 138.19 1fgg n PRO 140 Ca -0.15 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1fgg n PRO 140 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1fgg n PRO 140 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1fgg n HIS 154 N -1.39 0.00 -1.18 0.54 -0.00 -1.26 -5.25 115.22 106.68 1fgg n HIS 154 Ca 0.02 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.27 1fgg n HIS 154 Cb 0.05 -1.17 -0.06 0.00 -0.00 0.00 0.00 29.99 28.81 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 -0.61 0.00 -4.37 1.57 -0.02 -1.26 -4.96 135.00 125.35 1fgg n PRO 155 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.23 1fgg n PRO 155 Cb 0.00 -1.16 -0.09 0.00 -0.02 0.00 0.00 33.50 32.22 1fgg n PRO 155 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1fgg s ARG 156 N 0.24 1.91 0.00 -0.52 3.03 -1.26 -4.62 118.95 117.72 1fgg s ARG 156 Ca 0.72 -1.51 0.00 0.00 2.03 0.00 0.00 55.73 56.96 1fgg s ARG 156 Cb -1.00 -1.98 0.00 0.00 -1.03 0.00 0.00 34.95 30.94 1fgg s ARG 156 CO 0.46 0.38 0.00 0.41 -1.13 0.00 0.00 175.30 175.42 1fgg n GLY 157 N -0.38 0.81 0.33 3.88 0.00 -1.26 -4.96 105.19 103.62 1fgg n GLY 157 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.97 1.61 2.07 -1.99 -2.43 116.25 114.54 1fgg h VAL 158 Ca 0.00 -0.24 0.18 0.00 0.82 0.00 0.00 66.70 67.47 1fgg h VAL 158 Cb 0.00 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 1fgg h VAL 158 CO 0.00 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 177.87 1fgg h GLU 159 N -1.05 0.66 -0.46 1.57 3.07 -1.94 -0.82 114.58 115.61 1fgg h GLU 159 Ca -0.08 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.72 1fgg h GLU 159 Cb 0.63 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 1fgg h GLU 159 CO 0.14 0.44 0.21 1.96 -1.40 0.00 0.00 179.01 180.36 1fgg h GLN 160 N 0.68 0.68 -0.66 2.33 7.50 -1.85 -1.62 115.11 122.17 1fgg h GLN 160 Ca 0.53 -0.11 -0.08 0.00 0.50 0.00 0.00 58.65 59.50 1fgg h GLN 160 Cb 0.93 -0.12 -0.03 0.00 0.05 0.00 0.00 27.48 28.32 1fgg h GLN 160 CO -0.30 0.59 0.10 0.00 -1.50 0.00 0.00 178.83 177.71 1fgg h ARG 161 N 0.61 1.10 -0.11 1.46 3.08 -0.68 -2.70 114.38 117.14 1fgg h ARG 161 Ca 0.16 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 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 -0.02 1.01 -0.20 -0.91 -1.07 0.00 0.00 179.97 178.78 1fgg h ASN 162 N 1.03 0.17 0.14 7.04 2.35 -0.99 -2.30 115.58 123.02 1fgg h ASN 162 Ca 0.20 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.79 1fgg h ASN 162 Cb 0.45 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1fgg h ASN 162 CO 0.01 0.39 -0.42 0.50 -1.65 0.00 0.00 177.43 176.26 1fgg h LYS 163 N 0.17 0.36 -0.50 0.81 3.64 -0.99 -0.48 116.57 119.59 1fgg h LYS 163 Ca 0.03 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.15 1fgg h LYS 163 Cb 0.46 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1fgg h LYS 163 CO 0.03 0.72 -0.00 0.00 -2.27 0.00 0.00 179.45 177.93 1fgg h ALA 164 N 1.26 1.06 -0.51 5.00 0.00 -1.18 -1.19 119.26 123.70 1fgg h ALA 164 Ca 0.02 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1fgg h ALA 164 Cb 0.87 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1fgg h ALA 164 CO 0.07 0.59 0.02 -0.07 0.00 0.00 0.00 179.25 179.86 1fgg h LEU 165 N 0.77 0.86 -0.99 0.00 3.38 -1.01 -1.60 115.31 116.73 1fgg h LEU 165 Ca 0.15 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1fgg h LEU 165 Cb 0.47 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1fgg h LEU 165 CO 0.02 0.94 0.65 0.44 0.09 0.00 0.00 178.44 180.58 1fgg h ASP 166 N 0.75 1.09 -0.52 -0.43 3.32 -0.59 -1.31 116.42 118.72 1fgg h ASP 166 Ca 0.15 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 1fgg h ASP 166 Cb 0.49 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1fgg h ASP 166 CO 0.02 0.76 -0.00 -0.25 -1.72 0.00 0.00 179.24 178.05 1fgg h TRP 167 N 1.27 1.04 0.00 4.55 7.01 -0.85 -0.28 115.95 128.69 1fgg h TRP 167 Ca 0.39 -0.17 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 1fgg h TRP 167 Cb -0.04 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 26.74 1fgg h TRP 167 CO -0.00 0.93 -0.01 -0.07 -2.79 0.00 0.00 178.44 176.50 1fgg h LEU 168 N 0.88 0.00 -3.02 0.65 3.38 -0.53 -2.32 115.31 114.35 1fgg h LEU 168 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1fgg h LEU 168 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1fgg h LEU 168 CO 0.03 0.01 0.00 0.54 0.09 0.00 0.00 178.44 179.11 1fgg n ARG 169 N -3.11 4.09 -0.98 1.13 1.74 -0.57 -4.76 116.66 114.19 1fgg n ARG 169 Ca 0.00 -2.50 0.00 0.00 -0.77 0.00 0.00 57.85 54.59 1fgg n ARG 169 Cb 0.29 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 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 0.51 0.35 0.11 -0.13 0.00 -0.87 -4.88 105.19 100.28 1fgg n GLY 170 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.63 1.14 0.00 1.61 1.74 -0.19 -5.00 116.66 114.32 1fgg n ARG 171 Ca 0.00 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 1fgg n ARG 171 Cb 0.16 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 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 0.59 0.91 0.00 -0.13 0.00 -1.26 -4.84 105.19 100.46 1fgg n GLY 172 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 1.01 3.81 -0.02 0.00 -1.26 -4.07 105.19 104.66 1fgg n GLY 173 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 2.96 0.00 4.61 0.00 -1.26 -4.47 121.76 121.60 1fgg s ALA 174 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1fgg s ALA 174 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1fgg s ALA 174 CO 0.00 -0.15 0.52 1.33 0.00 0.00 0.00 175.76 177.45 1fgg n VAL 175 N -1.02 0.26 -3.59 0.00 0.24 0.00 -5.01 118.33 109.21 1fgg n VAL 175 Ca 0.08 -0.40 -0.05 0.00 -2.04 0.00 0.00 64.34 61.93 1fgg n VAL 175 Cb 0.53 1.10 -0.02 0.00 -1.47 0.00 0.00 33.84 33.99 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 -0.26 -0.29 0.00 7.63 0.00 -1.21 -4.95 107.32 108.24 1fgg s GLY 176 Ca 0.00 1.62 0.00 0.00 0.00 0.00 0.00 44.72 46.34 1fgg s GLY 176 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 173.10 174.26 1fgg n GLY 177 N -0.07 0.18 3.55 0.20 0.00 -1.26 -0.95 105.19 106.83 1fgg n GLY 177 Ca 0.00 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 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 2.58 0.37 1.61 0.41 0.10 -4.83 118.70 118.94 1fgg s GLU 178 Ca 0.00 0.58 0.16 0.00 -0.41 0.00 0.00 54.97 55.31 1fgg s GLU 178 Cb 0.00 -4.46 0.71 0.00 -1.78 0.00 0.00 34.13 28.61 1fgg s GLU 178 CO 0.00 -2.83 1.78 1.57 -0.49 0.00 0.00 175.26 175.28 1fgg h LYS 179 N 14.95 0.00 -5.78 1.61 2.10 -1.89 -3.43 116.57 124.13 1fgg h LYS 179 Ca -0.23 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.82 1fgg h LYS 179 Cb 1.16 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.39 1fgg h LYS 179 CO 1.21 0.39 0.42 -0.51 -2.00 0.00 0.00 179.45 178.96 1fgg s ASP 180 N -6.64 6.71 0.86 7.07 1.01 -1.26 -4.81 116.67 119.61 1fgg s ASP 180 Ca -0.01 0.78 -0.11 0.00 0.71 0.00 0.00 52.55 53.91 1fgg s ASP 180 Cb 0.13 -2.41 0.11 0.00 1.01 0.00 0.00 42.92 41.75 1fgg s ASP 180 CO 0.70 -0.58 1.09 -2.16 0.21 0.00 0.00 175.17 174.44 1fgg s PRO 181 N 2.92 1.54 0.27 8.23 0.04 -1.26 -4.95 135.00 141.78 1fgg s PRO 181 Ca 0.33 0.80 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 1fgg s PRO 181 Cb -0.14 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 1fgg s PRO 181 CO 0.11 -2.04 1.55 -2.14 0.04 0.00 0.00 177.00 174.52 1fgg s PRO 182 N -4.99 4.17 0.84 0.56 0.02 -1.26 -4.95 135.00 129.40 1fgg s PRO 182 Ca 0.63 2.49 -0.13 0.00 0.02 0.00 0.00 61.00 64.01 1fgg s PRO 182 Cb -0.17 -3.06 0.09 0.00 0.02 0.00 0.00 34.50 31.39 1fgg s PRO 182 CO 0.56 -0.58 1.13 -0.35 -0.33 0.00 0.00 177.00 177.44 1fgg n PRO 183 N 2.43 -0.00 -1.26 5.54 -0.04 -1.26 -4.87 135.00 135.53 1fgg n PRO 183 Ca 0.08 0.08 -0.35 0.00 -0.04 0.00 0.00 63.50 63.27 1fgg n PRO 183 Cb 0.38 -2.38 0.09 0.00 -0.04 0.00 0.00 33.50 31.55 1fgg n PRO 183 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1fgg n PRO 184 N -3.38 0.36 -0.91 0.54 -0.02 -1.26 -2.17 135.00 128.16 1fgg n PRO 184 Ca 0.13 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1fgg n PRO 184 Cb 0.51 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.13 0.40 3.76 -1.23 0.00 -1.26 -4.97 105.19 103.01 1fgg n GLY 185 Ca 0.12 0.00 -0.40 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 -2.02 3.30 0.17 2.61 2.01 -0.92 -5.02 115.64 115.78 1fgg s THR 186 Ca 0.00 1.32 -0.19 0.00 0.31 0.00 0.00 61.69 63.13 1fgg s THR 186 Cb 0.00 -3.84 -0.08 0.00 0.01 0.00 0.00 72.50 68.60 1fgg s THR 186 CO 0.00 0.31 0.65 0.00 -0.69 0.00 0.00 174.62 174.90 1fgg s GLN 187 N -1.53 4.19 0.00 4.92 0.00 -1.26 -4.36 119.66 121.61 1fgg s GLN 187 Ca 0.46 0.76 0.00 0.00 -0.00 0.00 0.00 55.36 56.58 1fgg s GLN 187 Cb -0.34 -2.99 0.00 0.00 0.00 0.00 0.00 33.01 29.69 1fgg s GLN 187 CO 0.44 0.47 0.00 0.41 0.00 0.00 0.00 175.29 176.61 1fgg n GLY 188 N 0.99 0.22 3.02 2.60 0.00 -1.26 -4.22 105.19 106.54 1fgg n GLY 188 Ca -0.05 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 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 0.65 -0.17 1.61 0.11 -0.51 0.58 120.40 120.67 1fgg s VAL 189 Ca 0.00 -0.47 -0.04 0.00 -2.93 0.00 0.00 61.98 58.54 1fgg s VAL 189 Cb 0.00 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1fgg s VAL 189 CO 0.00 0.10 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.15 1fgg s VAL 190 N -0.37 3.91 -0.09 2.04 1.01 0.18 -0.11 120.40 126.97 1fgg s VAL 190 Ca 0.01 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1fgg s VAL 190 Cb -0.04 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1fgg s VAL 190 CO -0.00 0.47 -0.15 -0.47 0.00 0.00 0.00 175.10 174.95 1fgg s TYR 191 N 0.57 1.89 -0.59 5.22 6.04 0.16 -1.09 117.35 129.55 1fgg s TYR 191 Ca -0.02 -0.81 -0.18 0.00 0.04 0.00 0.00 57.07 56.09 1fgg s TYR 191 Cb -0.14 -1.35 0.11 0.00 -1.04 0.00 0.00 41.96 39.54 1fgg s TYR 191 CO 0.02 -0.40 0.68 -0.06 -1.54 0.00 0.00 175.55 174.26 1fgg s PHE 192 N 0.79 3.04 -0.38 4.97 0.08 -1.26 -0.17 117.98 125.04 1fgg s PHE 192 Ca -0.11 -1.03 -0.08 0.00 0.12 0.00 0.00 56.93 55.83 1fgg s PHE 192 Cb -0.16 -3.99 0.05 0.00 -0.57 0.00 0.00 43.02 38.36 1fgg s PHE 192 CO 0.02 -1.26 0.19 0.00 -0.10 0.00 0.00 175.22 174.07 1fgg s ALA 193 N 2.50 3.20 0.64 5.36 0.00 -0.61 -4.27 121.76 128.58 1fgg s ALA 193 Ca 0.11 -1.92 -0.18 0.00 0.00 0.00 0.00 51.96 49.97 1fgg s ALA 193 Cb -0.25 -2.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 1fgg s ALA 193 CO 0.05 -1.48 1.26 -0.51 0.00 0.00 0.00 175.76 175.08 1fgg s ASP 194 N 1.72 4.70 0.00 0.00 -0.00 -1.26 -4.24 116.67 117.59 1fgg s ASP 194 Ca 0.01 2.53 0.17 0.00 -0.00 0.00 0.00 52.55 55.26 1fgg s ASP 194 Cb -0.21 -2.61 1.02 0.00 -0.00 0.00 0.00 42.92 41.13 1fgg s ASP 194 CO 0.03 -1.93 1.46 -0.90 -0.00 0.00 0.00 175.17 173.83 1fgg n ASP 195 N -1.93 0.00 -0.09 0.27 5.75 -1.26 -3.45 116.55 115.84 1fgg n ASP 195 Ca 0.15 -0.80 0.01 0.00 -0.01 0.00 0.00 54.79 54.14 1fgg n ASP 195 Cb 0.49 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.59 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 -0.90 1.11 -4.73 -1.12 3.85 -1.26 -4.62 116.55 108.88 1fgg n ASP 196 Ca 0.13 -1.05 -0.29 0.00 -0.71 0.00 0.00 54.79 52.86 1fgg n ASP 196 Cb 0.06 0.09 0.12 0.00 -1.35 0.00 0.00 41.12 40.04 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 -0.30 3.95 -0.16 -1.12 0.01 -1.22 -4.27 114.94 111.83 1fgg s ASN 197 Ca 0.03 0.74 -0.01 0.00 -0.71 0.00 0.00 52.86 52.91 1fgg s ASN 197 Cb 0.02 -1.18 -0.01 0.00 0.41 0.00 0.00 41.25 40.49 1fgg s ASN 197 CO 0.04 -2.25 -0.12 -0.89 -1.51 0.00 0.00 177.10 172.36 1fgg s THR 198 N -3.54 2.92 -0.10 1.60 2.01 0.14 -4.87 115.64 113.80 1fgg s THR 198 Ca 0.64 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 62.00 1fgg s THR 198 Cb -0.11 -2.25 0.00 0.00 0.01 0.00 0.00 72.50 70.15 1fgg s THR 198 CO 0.51 0.50 -0.21 -0.31 -0.69 0.00 0.00 174.62 174.42 1fgg s TYR 199 N 0.81 2.38 0.49 4.92 1.51 -1.26 -0.27 117.35 125.92 1fgg s TYR 199 Ca -0.04 -1.03 -0.11 0.00 -1.01 0.00 0.00 57.07 54.88 1fgg s TYR 199 Cb -0.15 -1.62 -0.06 0.00 -0.11 0.00 0.00 41.96 40.02 1fgg s TYR 199 CO 0.01 -0.44 0.87 -1.54 -1.11 0.00 0.00 175.55 173.34 1fgg s SER 200 N 0.53 6.44 0.35 2.29 1.04 -0.69 -4.97 113.70 118.69 1fgg s SER 200 Ca -0.15 1.25 0.04 0.00 0.48 0.00 0.00 55.95 57.57 1fgg s SER 200 Cb -0.17 -2.38 0.66 0.00 0.10 0.00 0.00 66.02 64.23 1fgg s SER 200 CO 0.05 -0.57 1.94 0.03 0.98 0.00 0.00 173.24 175.67 1fgg h ARG 201 N 0.68 0.59 -0.14 4.02 3.08 -1.92 -2.56 114.38 118.13 1fgg h ARG 201 Ca -0.46 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.48 1fgg h ARG 201 Cb 1.19 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1fgg h ARG 201 CO 0.62 0.51 0.01 0.93 -1.07 0.00 0.00 179.97 180.98 1fgg h GLU 202 N 0.59 0.19 -0.59 0.04 5.08 -1.93 -2.84 114.58 115.11 1fgg h GLU 202 Ca 0.14 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.59 1fgg h GLU 202 Cb 0.17 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.29 1fgg h GLU 202 CO -0.01 0.20 0.12 1.25 -1.00 0.00 0.00 179.01 179.57 1fgg h LEU 203 N 0.19 -0.02 -1.74 1.33 5.85 -1.69 -1.76 115.31 117.47 1fgg h LEU 203 Ca 0.05 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1fgg h LEU 203 Cb 0.12 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1fgg h LEU 203 CO 0.00 0.00 -0.17 -0.26 -0.34 0.00 0.00 178.44 177.67 1fgg h PHE 204 N 0.24 0.00 0.00 1.25 -1.00 -1.66 -1.98 116.94 113.79 1fgg h PHE 204 Ca 0.31 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.04 1fgg h PHE 204 Cb 0.46 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 1fgg h PHE 204 CO -0.25 0.17 -0.25 0.93 -1.61 0.00 0.00 178.31 177.29 1fgg h GLU 205 N 0.00 0.00 -0.04 1.51 4.39 -1.43 -2.97 114.58 116.03 1fgg h GLU 205 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 1fgg h GLU 205 Cb 0.36 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1fgg h GLU 205 CO 0.02 0.25 -0.93 0.93 -1.16 0.00 0.00 179.01 178.13 1fgg h GLU 206 N 0.00 0.63 0.00 2.33 4.39 -1.06 -3.30 114.58 117.57 1fgg h GLU 206 Ca -0.00 -0.61 0.00 0.00 0.34 0.00 0.00 59.36 59.08 1fgg h GLU 206 Cb 1.10 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1fgg h GLU 206 CO 0.03 1.22 -0.16 0.00 -1.16 0.00 0.00 179.01 178.94 1fgg h MET 207 N 0.38 0.00 0.00 2.33 -0.00 -1.52 -3.32 114.93 112.80 1fgg h MET 207 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.61 1fgg h MET 207 Cb 1.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.16 1fgg h MET 207 CO 0.18 0.00 0.00 -0.09 -0.00 0.00 0.00 176.91 177.00 1fgg h ARG 208 N 0.00 0.00 -0.02 -0.10 2.43 -1.59 -2.00 114.38 113.09 1fgg h ARG 208 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1fgg h ARG 208 Cb 0.76 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1fgg h ARG 208 CO 0.00 0.00 0.00 0.91 -1.51 0.00 0.00 179.97 179.37 1fgg n TRP 209 N -2.64 0.00 -1.64 2.20 5.03 -1.25 -4.96 117.44 114.18 1fgg n TRP 209 Ca -0.01 -0.00 -0.51 0.00 3.03 0.00 0.00 57.50 60.01 1fgg n TRP 209 Cb 0.10 0.00 -0.06 0.00 -1.03 0.00 0.00 31.31 30.33 1fgg n TRP 209 CO 0.00 0.00 0.00 2.41 -0.03 0.00 0.00 177.69 180.07 1fgg n THR 210 N 0.52 0.13 -0.10 -0.99 -1.04 -0.76 -4.92 114.28 107.13 1fgg n THR 210 Ca 0.18 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.05 62.01 1fgg n THR 210 Cb 0.43 -1.21 -0.06 0.00 -1.82 0.00 0.00 70.33 67.67 1fgg n THR 210 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1fgg n ARG 211 N 3.78 0.53 0.00 -2.82 1.74 -1.26 -4.71 116.66 113.92 1fgg n ARG 211 Ca 0.20 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 1fgg n ARG 211 Cb 0.22 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1fgg n ARG 211 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fgg n GLY 212 N 1.45 0.23 2.79 -0.13 0.00 -1.26 -4.56 105.19 103.72 1fgg n GLY 212 Ca -0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 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 0.19 0.26 1.61 1.01 -1.26 -0.64 120.40 121.57 1fgg s VAL 213 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.19 1fgg s VAL 213 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1fgg s VAL 213 CO 0.00 0.17 0.07 -0.94 0.00 0.00 0.00 175.10 174.40 1fgg s SER 214 N 1.34 4.89 0.06 3.32 1.04 -0.88 -1.29 113.70 122.17 1fgg s SER 214 Ca -0.05 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 55.88 1fgg s SER 214 Cb -0.13 -1.05 -0.03 0.00 0.10 0.00 0.00 66.02 64.91 1fgg s SER 214 CO -0.02 -0.01 -0.05 0.68 0.98 0.00 0.00 173.24 174.81 1fgg s VAL 215 N -2.24 0.41 0.11 5.02 -7.23 0.24 -2.29 120.40 114.43 1fgg s VAL 215 Ca 0.32 -1.52 -0.21 0.00 -1.81 0.00 0.00 61.98 58.76 1fgg s VAL 215 Cb -0.07 -1.14 0.05 0.00 0.56 0.00 0.00 36.38 35.79 1fgg s VAL 215 CO 0.22 -0.73 0.52 -1.66 -0.31 0.00 0.00 175.10 173.13 1fgg s TRP 216 N -2.82 -0.40 0.71 2.82 -2.14 -0.98 -0.61 118.94 115.53 1fgg s TRP 216 Ca 0.01 0.24 -0.15 0.00 2.66 0.00 0.00 56.10 58.86 1fgg s TRP 216 Cb -0.00 0.40 0.03 0.00 -3.10 0.00 0.00 33.47 30.80 1fgg s TRP 216 CO -0.04 -0.74 1.17 -1.25 -2.66 0.00 0.00 176.95 173.42 1fgg s PRO 217 N -3.35 2.32 -0.09 3.25 0.04 -1.26 -4.66 135.00 131.25 1fgg s PRO 217 Ca -0.00 1.60 0.01 0.00 0.04 0.00 0.00 61.00 62.64 1fgg s PRO 217 Cb 0.00 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.69 1fgg s PRO 217 CO -0.09 -1.66 -0.09 0.08 0.04 0.00 0.00 177.00 175.28 1fgg s VAL 218 N -2.17 1.06 0.57 -0.36 1.01 0.36 -4.38 120.40 116.49 1fgg s VAL 218 Ca 0.71 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 1fgg s VAL 218 Cb -0.25 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1fgg s VAL 218 CO 0.45 0.36 0.92 -0.83 0.00 0.00 0.00 175.10 176.00 1fgg s GLY 219 N 1.29 1.59 -1.38 4.51 0.00 -0.71 -0.71 107.32 111.90 1fgg s GLY 219 Ca -0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 44.72 44.30 1fgg s GLY 219 CO -0.04 -0.12 0.43 1.04 0.00 0.00 0.00 173.10 174.42 1fgg n LEU 220 N -2.56 -2.16 -3.92 0.66 4.77 0.13 -1.46 117.00 112.45 1fgg n LEU 220 Ca 0.04 -1.03 -0.10 0.00 -0.03 0.00 0.00 56.01 54.89 1fgg n LEU 220 Cb 0.55 -2.19 -0.10 0.00 -2.33 0.00 0.00 43.42 39.36 1fgg n LEU 220 CO 0.55 0.45 -0.23 0.54 -1.33 0.00 0.00 177.39 177.37 1fgg s VAL 221 N -3.93 0.11 -1.51 4.08 0.11 -1.11 -4.30 120.40 113.86 1fgg s VAL 221 Ca 0.06 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 1fgg s VAL 221 Cb -0.02 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 1fgg s VAL 221 CO 0.89 -0.51 0.00 0.61 -3.33 0.00 0.00 175.10 172.76 1fgg n GLY 222 N 1.16 1.46 2.31 6.54 0.00 -1.26 -1.99 105.19 113.42 1fgg n GLY 222 Ca -0.21 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.12 0.65 3.66 -0.02 0.00 -1.26 -4.65 105.19 102.45 1fgg n GLY 223 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 3.06 0.42 0.99 1.43 -0.84 -5.00 118.68 118.74 1fgg s LEU 224 Ca 0.00 -0.92 0.09 0.00 -1.03 0.00 0.00 54.13 52.27 1fgg s LEU 224 Cb 0.00 -1.46 0.89 0.00 0.03 0.00 0.00 46.19 45.65 1fgg s LEU 224 CO 0.00 -0.25 2.02 0.03 0.23 0.00 0.00 176.35 178.39 1fgg h ARG 225 N 1.74 0.36 -1.59 1.70 3.08 -1.94 -2.93 114.38 114.80 1fgg h ARG 225 Ca -0.43 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 59.71 1fgg h ARG 225 Cb 1.25 -0.07 -0.22 0.00 0.08 0.00 0.00 29.97 31.01 1fgg h ARG 225 CO 0.66 0.31 0.63 -0.59 -1.07 0.00 0.00 179.97 179.91 1fgg s PHE 226 N -5.18 -0.29 0.02 3.04 -0.12 -1.26 0.22 117.98 114.42 1fgg s PHE 226 Ca -0.07 0.41 0.05 0.00 -0.05 0.00 0.00 56.93 57.28 1fgg s PHE 226 Cb 0.17 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 43.00 1fgg s PHE 226 CO 0.72 -0.31 -0.13 -1.21 -0.05 0.00 0.00 175.22 174.24 1fgg s GLU 227 N -1.58 2.30 -0.20 1.99 2.02 0.12 -4.92 118.70 118.42 1fgg s GLU 227 Ca 0.02 -0.86 -0.29 0.00 0.02 0.00 0.00 54.97 53.86 1fgg s GLU 227 Cb -0.01 -2.33 0.13 0.00 0.10 0.00 0.00 34.13 32.03 1fgg s GLU 227 CO -0.02 0.57 1.05 0.20 0.02 0.00 0.00 175.26 177.07 1fgg s GLY 228 N -1.41 -0.19 0.67 -1.39 0.00 -0.98 -0.49 107.32 103.53 1fgg s GLY 228 Ca 0.16 2.27 -0.17 0.00 0.00 0.00 0.00 44.72 46.98 1fgg s GLY 228 CO 0.06 1.23 1.28 -4.14 0.00 0.00 0.00 173.10 171.53 1fgg s PRO 229 N -0.80 2.43 -0.31 2.90 0.02 -1.26 -0.47 135.00 137.51 1fgg s PRO 229 Ca 0.00 2.01 -0.13 0.00 0.02 0.00 0.00 61.00 62.90 1fgg s PRO 229 Cb -0.02 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.64 1fgg s PRO 229 CO -0.01 -1.68 0.28 -0.65 -0.33 0.00 0.00 177.00 174.60 1fgg s GLN 230 N -3.49 3.77 -0.12 5.54 -1.52 0.26 -4.73 119.66 119.36 1fgg s GLN 230 Ca 0.81 -0.35 -0.05 0.00 -1.95 0.00 0.00 55.36 53.83 1fgg s GLN 230 Cb -0.36 -3.73 -0.04 0.00 -0.22 0.00 0.00 33.01 28.67 1fgg s GLN 230 CO 0.41 -0.34 0.05 0.08 -0.25 0.00 0.00 175.29 175.24 1fgg s VAL 231 N 1.87 4.72 -0.14 1.09 1.01 -1.26 0.11 120.40 127.80 1fgg s VAL 231 Ca 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 1fgg s VAL 231 Cb -0.16 -3.05 0.06 0.00 0.00 0.00 0.00 36.38 33.23 1fgg s VAL 231 CO 0.11 0.56 0.14 0.00 0.00 0.00 0.00 175.10 175.91 1fgg s GLN 232 N -0.52 0.07 -1.17 2.72 -2.07 -0.04 -4.80 119.66 113.84 1fgg s GLN 232 Ca 0.10 0.25 0.00 0.00 -1.82 0.00 0.00 55.36 53.89 1fgg s GLN 232 Cb -0.12 -1.02 0.00 0.00 -1.09 0.00 0.00 33.01 30.78 1fgg s GLN 232 CO 0.02 -0.51 0.00 -0.25 -1.32 0.00 0.00 175.29 173.23 1fgg n ASP 233 N 5.31 -4.18 -0.64 12.60 8.00 -1.26 -2.14 116.55 134.24 1fgg n ASP 233 Ca -0.05 0.04 -0.07 0.00 0.71 0.00 0.00 54.79 55.41 1fgg n ASP 233 Cb 0.50 -3.29 -0.02 0.00 -0.02 0.00 0.00 41.12 38.29 1fgg n ASP 233 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fgg n GLY 234 N -1.07 0.65 3.13 0.44 0.00 -1.26 -5.02 105.19 102.06 1fgg n GLY 234 Ca -0.15 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.18 1.50 -0.45 1.61 1.81 -0.91 -4.72 118.95 114.61 1fgg s ARG 235 Ca 0.00 -0.58 -0.28 0.00 -1.72 0.00 0.00 55.73 53.15 1fgg s ARG 235 Cb 0.00 -1.38 0.00 0.00 -0.45 0.00 0.00 34.95 33.12 1fgg s ARG 235 CO 0.00 0.29 1.54 0.08 -0.68 0.00 0.00 175.30 176.54 1fgg s VAL 236 N -0.17 3.72 -1.04 3.52 1.01 -1.26 -0.86 120.40 125.31 1fgg s VAL 236 Ca 0.02 0.69 0.18 0.00 0.00 0.00 0.00 61.98 62.86 1fgg s VAL 236 Cb -0.09 -4.11 -0.14 0.00 0.00 0.00 0.00 36.38 32.04 1fgg s VAL 236 CO 0.01 -0.80 0.79 1.33 0.00 0.00 0.00 175.10 176.43 1fgg n VAL 237 N 7.12 0.00 -3.85 2.92 0.24 0.12 -4.78 118.33 120.09 1fgg n VAL 237 Ca 0.17 -0.14 0.01 0.00 -2.04 0.00 0.00 64.34 62.34 1fgg n VAL 237 Cb 0.48 1.05 0.01 0.00 -1.47 0.00 0.00 33.84 33.91 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 1.37 0.58 2.79 7.63 0.00 -1.13 -4.97 105.19 111.47 1fgg n GLY 238 Ca 0.04 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.00 0.24 -0.78 1.61 0.40 -1.26 0.89 117.98 116.07 1fgg s PHE 239 Ca 0.12 0.05 -0.24 0.00 -0.60 0.00 0.00 56.93 56.25 1fgg s PHE 239 Cb -0.01 -0.39 0.05 0.00 0.51 0.00 0.00 43.02 43.19 1fgg s PHE 239 CO 0.00 -0.13 1.20 -1.58 0.70 0.00 0.00 175.22 175.41 1fgg s HIS 240 N 1.18 2.52 0.11 0.36 5.65 0.38 -4.89 115.29 120.59 1fgg s HIS 240 Ca -0.08 -0.46 -0.10 0.00 0.25 0.00 0.00 55.06 54.68 1fgg s HIS 240 Cb -0.13 -4.51 0.00 0.00 -1.18 0.00 0.00 32.58 26.76 1fgg s HIS 240 CO -0.02 -1.87 0.25 -0.08 -0.65 0.00 0.00 174.74 172.37 1fgg s THR 241 N 4.83 0.11 -0.12 0.89 -1.32 -1.26 -2.32 115.64 116.46 1fgg s THR 241 Ca 0.33 -1.11 -0.03 0.00 -1.21 0.00 0.00 61.69 59.67 1fgg s THR 241 Cb -0.09 -1.43 -0.06 0.00 -1.51 0.00 0.00 72.50 69.41 1fgg s THR 241 CO 0.07 -0.50 -0.13 0.00 -2.21 0.00 0.00 174.62 171.85 1fgg n ALA 242 N -0.13 2.01 -2.40 11.08 0.00 -1.26 -4.97 120.51 124.83 1fgg n ALA 242 Ca -0.13 -0.48 -0.43 0.00 0.00 0.00 0.00 53.44 52.40 1fgg n ALA 242 Cb 0.63 0.30 -0.02 0.00 0.00 0.00 0.00 19.45 20.35 1fgg n ALA 242 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1fgg s TRP 243 N -2.22 2.72 0.00 0.00 -2.14 -1.26 -5.20 118.94 110.84 1fgg s TRP 243 Ca -0.16 0.91 0.00 0.00 2.66 0.00 0.00 56.10 59.51 1fgg s TRP 243 Cb 0.05 -3.71 0.00 0.00 -3.10 0.00 0.00 33.47 26.71 1fgg s TRP 243 CO 0.23 -1.80 0.00 -0.85 -2.66 0.00 0.00 176.95 171.87 1fgg n GLU 244 N 6.99 0.00 0.00 3.25 0.28 -1.26 -5.04 120.64 124.86 1fgg n GLU 244 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 1fgg n GLU 244 Cb 0.46 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.33 1fgg n GLU 244 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1fgg n ARG 247 N 2.82 0.00 0.13 3.44 1.74 -1.26 -5.05 116.66 118.47 1fgg n ARG 247 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 1fgg n ARG 247 Cb 0.00 0.00 0.41 0.00 -1.02 0.00 0.00 32.46 31.85 1fgg n ARG 247 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1fgg h PRO 248 N 0.00 0.23 -2.81 5.56 0.13 -1.98 -3.34 132.00 129.79 1fgg h PRO 248 Ca 0.00 -0.05 -0.61 0.00 -0.87 0.00 0.00 66.00 64.48 1fgg h PRO 248 Cb 0.00 -0.03 -0.40 0.00 0.13 0.00 0.00 31.00 30.70 1fgg h PRO 248 CO 0.00 0.34 -0.76 -0.06 -0.23 0.00 0.00 178.00 177.29 1fgg s PHE 249 N -4.79 2.22 -1.26 1.56 0.40 -1.26 -4.78 117.98 110.07 1fgg s PHE 249 Ca -0.05 -2.70 -0.09 0.00 -0.60 0.00 0.00 56.93 53.49 1fgg s PHE 249 Cb 0.16 -1.83 -0.11 0.00 0.51 0.00 0.00 43.02 41.74 1fgg s PHE 249 CO 0.73 -0.72 2.91 -0.35 0.70 0.00 0.00 175.22 178.49 1fgg n PRO 250 N 2.77 3.16 -4.50 0.24 -0.04 -1.26 -4.47 135.00 130.91 1fgg n PRO 250 Ca 0.20 -1.88 -0.21 0.00 -0.04 0.00 0.00 63.50 61.56 1fgg n PRO 250 Cb 0.39 -2.61 -0.14 0.00 -0.04 0.00 0.00 33.50 31.10 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 2.18 1.14 0.71 0.52 -7.23 -1.26 -4.89 120.40 111.57 1fgg s VAL 251 Ca 0.64 -0.83 -0.11 0.00 -1.81 0.00 0.00 61.98 59.88 1fgg s VAL 251 Cb 0.19 -0.99 0.02 0.00 0.56 0.00 0.00 36.38 36.16 1fgg s VAL 251 CO -0.05 0.16 1.07 -0.62 -0.31 0.00 0.00 175.10 175.35 1fgg s ASP 252 N -0.77 5.09 0.36 4.85 -1.08 -1.26 -4.77 116.67 119.09 1fgg s ASP 252 Ca 0.04 1.71 0.15 0.00 -0.52 0.00 0.00 52.55 53.94 1fgg s ASP 252 Cb -0.07 -2.51 1.05 0.00 -1.46 0.00 0.00 42.92 39.93 1fgg s ASP 252 CO 0.00 -1.64 1.72 -0.03 0.52 0.00 0.00 175.17 175.75 1fgg h MET 253 N -0.76 0.41 0.00 4.34 1.85 -1.98 0.68 114.93 119.47 1fgg h MET 253 Ca -0.44 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.63 1fgg h MET 253 Cb 1.22 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.16 1fgg h MET 253 CO 0.55 0.27 0.00 0.00 -0.40 0.00 0.00 176.91 177.33 1fgg n ALA 254 N -2.38 2.38 -0.46 0.39 0.00 -1.26 -4.07 120.51 115.11 1fgg n ALA 254 Ca 0.28 -0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.64 1fgg n ALA 254 Cb 0.90 -1.47 0.30 0.00 0.00 0.00 0.00 19.45 19.19 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 1.29 2.69 3.59 0.00 0.00 0.23 -4.96 105.19 108.03 1fgg n GLY 255 Ca 0.11 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.35 -0.20 0.04 1.61 -0.12 -1.26 -2.31 117.98 113.39 1fgg s PHE 256 Ca 0.42 -0.15 -0.02 0.00 -0.05 0.00 0.00 56.93 57.13 1fgg s PHE 256 Cb 0.32 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 43.18 1fgg s PHE 256 CO 0.12 -0.99 0.01 0.00 -0.05 0.00 0.00 175.22 174.31 1fgg s ALA 257 N -3.87 0.22 -0.06 1.99 0.00 -0.97 -4.56 121.76 114.52 1fgg s ALA 257 Ca 0.09 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1fgg s ALA 257 Cb -0.02 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.36 1fgg s ALA 257 CO -0.02 -0.31 -0.12 0.08 0.00 0.00 0.00 175.76 175.39 1fgg s VAL 258 N -2.96 1.09 0.25 0.00 1.01 -0.25 -2.08 120.40 117.47 1fgg s VAL 258 Ca -0.02 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1fgg s VAL 258 Cb 0.01 -1.00 -0.11 0.00 0.00 0.00 0.00 36.38 35.28 1fgg s VAL 258 CO -0.06 0.34 1.54 0.00 0.00 0.00 0.00 175.10 176.92 1fgg s ALA 259 N 0.66 3.72 0.20 5.51 0.00 0.19 0.51 121.76 132.55 1fgg s ALA 259 Ca -0.14 1.45 -0.11 0.00 0.00 0.00 0.00 51.96 53.16 1fgg s ALA 259 Cb -0.16 -3.61 0.23 0.00 0.00 0.00 0.00 23.12 19.58 1fgg s ALA 259 CO 0.03 -0.86 1.75 1.25 0.00 0.00 0.00 175.76 177.93 1fgg h LEU 260 N 5.37 0.21 -1.59 0.00 5.85 -0.19 -2.45 115.31 122.51 1fgg h LEU 260 Ca -0.46 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1fgg h LEU 260 Cb 1.22 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1fgg h LEU 260 CO 0.82 0.14 0.28 -0.65 -0.34 0.00 0.00 178.44 178.68 1fgg h PRO 261 N 0.39 0.55 -0.08 5.25 0.11 -1.78 -1.80 132.00 134.64 1fgg h PRO 261 Ca 0.28 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.24 1fgg h PRO 261 Cb 0.32 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1fgg h PRO 261 CO -0.28 0.36 -0.47 1.25 -0.21 0.00 0.00 178.00 178.65 1fgg h LEU 262 N 0.56 0.21 -0.29 2.35 5.85 -1.77 -0.96 115.31 121.27 1fgg h LEU 262 Ca 0.15 -0.10 -0.20 0.00 0.84 0.00 0.00 57.88 58.58 1fgg h LEU 262 Cb -0.06 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1fgg h LEU 262 CO -0.03 0.66 -0.65 0.25 -0.34 0.00 0.00 178.44 178.32 1fgg h LEU 263 N 0.16 0.88 -0.59 2.25 5.85 -1.11 -2.53 115.31 120.21 1fgg h LEU 263 Ca 0.01 -0.52 -0.15 0.00 0.84 0.00 0.00 57.88 58.06 1fgg h LEU 263 Cb 0.90 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1fgg h LEU 263 CO 0.07 1.30 -0.49 -0.07 -0.34 0.00 0.00 178.44 178.91 1fgg h LEU 264 N 0.56 0.59 -1.40 2.25 3.38 -1.21 -3.05 115.31 116.43 1fgg h LEU 264 Ca -0.02 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 1fgg h LEU 264 Cb 1.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1fgg h LEU 264 CO 0.13 0.99 -0.30 -0.78 0.09 0.00 0.00 178.44 178.57 1fgg h ASP 265 N 0.43 0.00 -3.63 -0.43 3.58 -1.10 -3.32 116.42 111.95 1fgg h ASP 265 Ca 0.02 0.00 -0.70 0.00 0.42 0.00 0.00 57.03 56.77 1fgg h ASP 265 Cb 1.02 0.00 -0.35 0.00 1.72 0.00 0.00 39.33 41.71 1fgg h ASP 265 CO 0.09 0.30 -0.21 -0.54 -2.88 0.00 0.00 179.24 176.01 1fgg s LYS 266 N -4.20 3.00 0.51 0.28 -0.14 -0.96 -4.94 119.74 113.28 1fgg s LYS 266 Ca -0.03 -3.02 0.34 0.00 -1.36 0.00 0.00 55.97 51.91 1fgg s LYS 266 Cb 0.14 -3.86 1.84 0.00 -1.68 0.00 0.00 37.83 34.26 1fgg s LYS 266 CO 0.69 -1.24 2.05 -1.00 -0.76 0.00 0.00 175.35 175.09 1fgg h PRO 267 N 6.36 0.00 -0.01 -1.68 0.13 -1.71 -1.96 132.00 133.14 1fgg h PRO 267 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1fgg h PRO 267 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1fgg h PRO 267 CO 0.80 0.00 -0.55 0.09 -0.23 0.00 0.00 178.00 178.11 1fgg n ASN 268 N -2.71 1.36 -4.61 1.44 3.02 -1.26 -4.89 115.26 107.61 1fgg n ASN 268 Ca -0.02 -1.09 -0.43 0.00 -0.03 0.00 0.00 54.58 53.01 1fgg n ASN 268 Cb 0.07 0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 39.70 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 -2.67 2.97 0.19 5.41 0.00 -0.74 -4.93 121.76 122.00 1fgg s ALA 269 Ca 0.17 0.30 -0.23 0.00 0.00 0.00 0.00 51.96 52.20 1fgg s ALA 269 Cb 0.18 -3.98 0.05 0.00 0.00 0.00 0.00 23.12 19.37 1fgg s ALA 269 CO 0.64 -2.47 0.76 1.14 0.00 0.00 0.00 175.76 175.84 1fgg s GLN 270 N 5.42 1.44 0.36 0.00 -2.07 -1.26 -5.08 119.66 118.46 1fgg s GLN 270 Ca 0.78 -0.72 -0.26 0.00 -1.82 0.00 0.00 55.36 53.34 1fgg s GLN 270 Cb -0.23 0.54 -0.09 0.00 -1.09 0.00 0.00 33.01 32.14 1fgg s GLN 270 CO 0.33 -0.65 1.07 -0.06 -1.32 0.00 0.00 175.29 174.66 1fgg s PHE 271 N -3.66 3.36 -0.45 9.60 0.40 -1.26 -3.98 117.98 121.99 1fgg s PHE 271 Ca 0.08 1.66 -0.18 0.00 -0.60 0.00 0.00 56.93 57.89 1fgg s PHE 271 Cb -0.03 -3.19 0.03 0.00 0.51 0.00 0.00 43.02 40.34 1fgg s PHE 271 CO -0.01 -0.64 0.53 0.34 0.70 0.00 0.00 175.22 176.14 1fgg s ASP 272 N -1.31 6.23 0.00 1.36 -1.08 -1.26 -4.93 116.67 115.68 1fgg s ASP 272 Ca 0.53 -0.67 0.07 0.00 -0.52 0.00 0.00 52.55 51.96 1fgg s ASP 272 Cb -0.26 -2.26 0.32 0.00 -1.46 0.00 0.00 42.92 39.26 1fgg s ASP 272 CO 0.33 -0.70 1.16 -1.54 0.52 0.00 0.00 175.17 174.93 1fgg n SER 273 N 5.88 0.00 -0.17 -0.34 3.41 -1.26 -1.33 113.62 119.81 1fgg n SER 273 Ca -0.06 0.36 0.10 0.00 -0.26 0.00 0.00 58.87 59.01 1fgg n SER 273 Cb 0.47 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 1fgg n SER 273 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1fgg n THR 274 N -1.41 0.00 -2.28 6.66 -2.24 -1.26 -4.91 114.28 108.85 1fgg n THR 274 Ca 0.02 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1fgg n THR 274 Cb 0.07 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 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 -2.68 3.50 0.78 6.98 0.00 -0.44 -5.00 121.76 124.89 1fgg s ALA 275 Ca 0.11 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 1fgg s ALA 275 Cb 0.16 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.87 1fgg s ALA 275 CO 0.71 -0.49 1.11 -1.25 0.00 0.00 0.00 175.76 175.84 1fgg s PRO 276 N 0.25 2.12 0.05 0.00 0.04 -1.26 -4.66 135.00 131.54 1fgg s PRO 276 Ca 0.57 1.30 -0.10 0.00 0.04 0.00 0.00 61.00 62.82 1fgg s PRO 276 Cb -0.35 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1fgg s PRO 276 CO 0.35 -1.77 0.71 2.89 0.04 0.00 0.00 177.00 179.23 1fgg n ARG 277 N -3.43 -0.14 0.00 4.56 0.00 -1.26 -0.18 116.66 116.22 1fgg n ARG 277 Ca 0.10 0.70 0.05 0.00 -0.00 0.00 0.00 57.85 58.71 1fgg n ARG 277 Cb 0.52 -1.04 0.29 0.00 -0.00 0.00 0.00 32.46 32.23 1fgg n ARG 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fgg n GLY 278 N -1.08 -0.50 0.17 2.89 0.00 -1.26 -2.47 105.19 102.95 1fgg n GLY 278 Ca 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.16 0.11 0.02 1.61 -0.00 0.75 -4.72 115.22 111.83 1fgg n HIS 279 Ca 0.06 -0.44 -0.13 0.00 -0.00 0.00 0.00 57.72 57.22 1fgg n HIS 279 Cb 0.06 -0.04 -0.09 0.00 -0.00 0.00 0.00 29.99 29.93 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 0.56 -0.02 -0.69 2.41 5.85 -1.31 -1.81 115.31 120.30 1fgg h LEU 280 Ca 0.00 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.45 1fgg h LEU 280 Cb 0.51 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1fgg h LEU 280 CO 0.00 0.28 0.43 -0.33 -0.34 0.00 0.00 178.44 178.49 1fgg h GLU 281 N -0.33 0.83 -0.63 1.25 3.07 -1.84 -2.65 114.58 114.27 1fgg h GLU 281 Ca -0.00 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.76 1fgg h GLU 281 Cb 0.32 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 1fgg h GLU 281 CO 0.00 0.55 0.18 0.77 -1.40 0.00 0.00 179.01 179.11 1fgg h SER 282 N 0.85 0.90 -0.17 1.42 0.02 -1.77 -2.14 113.55 112.66 1fgg h SER 282 Ca 0.27 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1fgg h SER 282 Cb 0.01 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1fgg h SER 282 CO -0.10 0.85 0.23 0.77 -1.14 0.00 0.00 176.83 177.44 1fgg h SER 283 N 0.93 0.00 0.00 3.07 4.64 -0.95 -1.30 113.55 119.94 1fgg h SER 283 Ca 0.21 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.20 1fgg h SER 283 Cb 0.29 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.33 1fgg h SER 283 CO -0.01 0.00 -1.77 -0.11 -0.87 0.00 0.00 176.83 174.07 1fgg n LEU 284 N -3.63 1.90 0.24 5.97 7.94 -1.00 -4.54 117.00 123.89 1fgg n LEU 284 Ca 0.01 0.39 0.08 0.00 -1.11 0.00 0.00 56.01 55.38 1fgg n LEU 284 Cb 0.34 -0.91 0.60 0.00 0.53 0.00 0.00 43.42 43.98 1fgg n LEU 284 CO 0.25 0.40 0.96 -0.07 -1.11 0.00 0.00 177.39 177.82 1fgg h LEU 285 N -1.00 0.00 -2.10 -1.96 3.38 -1.08 -2.38 115.31 110.17 1fgg h LEU 285 Ca -0.49 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1fgg h LEU 285 Cb 1.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 1fgg h LEU 285 CO -0.30 0.12 -0.05 0.77 0.09 0.00 0.00 178.44 179.07 1fgg h SER 286 N 0.00 0.00 1.47 -0.43 4.64 -1.48 -0.83 113.55 116.92 1fgg h SER 286 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fgg h SER 286 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1fgg h SER 286 CO 0.02 0.05 -0.18 0.45 -0.87 0.00 0.00 176.83 176.30 1fgg h HIS 287 N 0.00 0.00 0.00 4.77 3.86 -1.67 -3.40 115.15 118.71 1fgg h HIS 287 Ca -0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.88 1fgg h HIS 287 Cb 0.28 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.70 1fgg h HIS 287 CO 0.00 0.00 -2.15 1.28 0.86 0.00 0.00 177.93 177.92 1fgg n LEU 288 N -2.47 2.03 -3.96 2.43 4.77 -0.37 -4.87 117.00 114.55 1fgg n LEU 288 Ca 0.04 0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 1fgg n LEU 288 Cb 0.46 -0.64 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1fgg n LEU 288 CO 0.33 0.58 0.28 0.68 -1.33 0.00 0.00 177.39 177.93 1fgg s VAL 289 N -2.39 0.00 -0.12 4.08 -7.23 -0.85 -5.04 120.40 108.85 1fgg s VAL 289 Ca -0.28 -1.31 -0.16 0.00 -1.81 0.00 0.00 61.98 58.42 1fgg s VAL 289 Cb 0.10 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 1fgg s VAL 289 CO 0.40 0.00 0.40 -1.81 -0.31 0.00 0.00 175.10 173.78 1fgg s ASP 290 N -3.05 6.60 0.43 4.85 1.01 -1.26 -4.59 116.67 120.66 1fgg s ASP 290 Ca 0.21 0.71 0.12 0.00 0.71 0.00 0.00 52.55 54.30 1fgg s ASP 290 Cb -0.02 -2.24 0.65 0.00 1.01 0.00 0.00 42.92 42.32 1fgg s ASP 290 CO 0.11 0.08 1.26 1.55 0.21 0.00 0.00 175.17 178.38 1fgg h PRO 291 N 6.46 0.00 -0.01 8.23 0.13 -1.94 0.83 132.00 145.71 1fgg h PRO 291 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1fgg h PRO 291 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1fgg h PRO 291 CO 0.74 0.00 -0.10 0.36 -0.23 0.00 0.00 178.00 178.77 1fgg n LYS 292 N -2.19 1.12 -0.11 0.86 -0.00 -1.26 -3.40 118.16 113.18 1fgg n LYS 292 Ca -0.01 -0.55 0.08 0.00 -0.00 0.00 0.00 58.31 57.83 1fgg n LYS 292 Cb 0.50 -1.49 0.13 0.00 -0.00 0.00 0.00 35.03 34.17 1fgg n LYS 292 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1fgg n ASP 293 N -0.45 2.74 -4.74 -5.58 10.43 0.29 -4.75 116.55 114.48 1fgg n ASP 293 Ca 0.16 -1.80 -0.41 0.00 2.57 0.00 0.00 54.79 55.31 1fgg n ASP 293 Cb 0.31 -0.14 -0.02 0.00 1.84 0.00 0.00 41.12 43.10 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 -1.16 4.38 -0.45 0.64 1.43 -1.22 -4.75 118.68 117.54 1fgg s LEU 294 Ca 0.24 2.66 -0.21 0.00 -1.03 0.00 0.00 54.13 55.79 1fgg s LEU 294 Cb 0.15 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.77 1fgg s LEU 294 CO 0.21 -0.71 0.69 -1.61 0.23 0.00 0.00 176.35 175.16 1fgg s GLU 295 N -0.22 3.30 0.11 1.70 2.02 -0.41 -4.47 118.70 120.72 1fgg s GLU 295 Ca 0.60 -0.34 -0.30 0.00 0.02 0.00 0.00 54.97 54.95 1fgg s GLU 295 Cb -0.42 -3.96 -0.07 0.00 0.10 0.00 0.00 34.13 29.78 1fgg s GLU 295 CO 0.42 -1.08 1.16 -1.25 0.02 0.00 0.00 175.26 174.53 1fgg s PRO 296 N 2.98 4.50 0.00 0.39 0.04 -1.26 -0.59 135.00 141.06 1fgg s PRO 296 Ca 0.24 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1fgg s PRO 296 Cb -0.14 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1fgg s PRO 296 CO 0.19 -0.12 0.00 0.54 0.04 0.00 0.00 177.00 177.66 1fgg n ARG 297 N 3.21 3.08 -3.53 4.56 5.12 0.22 -4.57 116.66 124.76 1fgg n ARG 297 Ca 0.06 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.76 1fgg n ARG 297 Cb 0.46 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.81 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 -3.00 -2.37 -3.71 7.54 0.00 -1.26 0.57 120.51 118.28 1fgg n ALA 298 Ca 0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 1fgg n ALA 298 Cb 0.00 -4.07 0.03 0.00 0.00 0.00 0.00 19.45 15.41 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 -3.88 -2.24 -3.63 0.00 0.00 -1.26 -0.93 120.51 108.58 1fgg n ALA 299 Ca -0.15 -0.19 -0.24 0.00 0.00 0.00 0.00 53.44 52.87 1fgg n ALA 299 Cb 0.63 -2.91 0.07 0.00 0.00 0.00 0.00 19.45 17.24 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 -2.93 -5.25 -3.55 0.00 3.02 -1.12 -2.75 115.26 102.68 1fgg n ASN 300 Ca -0.21 -0.60 -0.21 0.00 -0.03 0.00 0.00 54.58 53.52 1fgg n ASN 300 Cb 0.65 -4.82 0.08 0.00 -0.61 0.00 0.00 39.78 35.07 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 -4.57 0.59 -4.12 0.00 -2.24 -0.10 -4.82 114.28 99.02 1fgg n THR 302 Ca -0.14 -0.80 -0.16 0.00 -2.27 0.00 0.00 64.05 60.69 1fgg n THR 302 Cb 0.61 0.76 -0.15 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.81 0.39 -0.35 -0.78 0.52 -1.14 -5.03 118.95 111.75 1fgg s ARG 303 Ca 0.11 -0.15 -0.14 0.00 -0.52 0.00 0.00 55.73 55.02 1fgg s ARG 303 Cb 0.06 -0.39 -0.01 0.00 0.52 0.00 0.00 34.95 35.14 1fgg s ARG 303 CO 0.09 0.08 0.31 0.08 0.02 0.00 0.00 175.30 175.88 1fgg s VAL 304 N -0.02 5.23 -0.37 3.52 1.01 -1.26 -4.41 120.40 124.08 1fgg s VAL 304 Ca 0.01 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1fgg s VAL 304 Cb -0.03 -3.80 0.09 0.00 0.00 0.00 0.00 36.38 32.64 1fgg s VAL 304 CO -0.00 -0.10 0.98 0.18 0.00 0.00 0.00 175.10 176.16 1fgg n LEU 305 N 5.25 2.09 -3.71 3.92 4.77 -1.26 -4.99 117.00 123.07 1fgg n LEU 305 Ca -0.11 -1.76 -0.13 0.00 -0.03 0.00 0.00 56.01 53.98 1fgg n LEU 305 Cb 0.49 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1fgg n LEU 305 CO 0.39 0.51 0.14 0.54 -1.33 0.00 0.00 177.39 177.65 1fgg s VAL 306 N -0.84 -0.00 -0.02 4.08 0.11 -1.26 -1.71 120.40 120.76 1fgg s VAL 306 Ca 0.07 0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.20 1fgg s VAL 306 Cb 0.04 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 1fgg s VAL 306 CO 0.05 0.00 -0.20 0.26 -3.33 0.00 0.00 175.10 171.89 1fgg s TRP 307 N 0.41 1.81 -1.37 1.54 0.51 0.62 -1.75 118.94 120.71 1fgg s TRP 307 Ca -0.01 -0.35 -0.07 0.00 -2.12 0.00 0.00 56.10 53.55 1fgg s TRP 307 Cb -0.04 -1.17 0.09 0.00 -0.81 0.00 0.00 33.47 31.54 1fgg s TRP 307 CO -0.01 -0.04 2.44 1.58 -0.51 0.00 0.00 176.95 180.41 1fgg n HIS 308 N 2.60 2.61 -2.38 -1.98 -0.00 -0.54 -0.69 115.22 114.84 1fgg n HIS 308 Ca -0.15 -2.87 -0.34 0.00 -0.00 0.00 0.00 57.72 54.36 1fgg n HIS 308 Cb 0.53 -1.97 -0.02 0.00 -0.00 0.00 0.00 29.99 28.53 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 -0.36 3.73 0.04 3.57 -4.23 -1.26 -4.79 115.64 112.33 1fgg s THR 309 Ca 0.55 1.01 0.04 0.00 -1.18 0.00 0.00 61.69 62.11 1fgg s THR 309 Cb 0.17 -3.41 -0.02 0.00 1.34 0.00 0.00 72.50 70.58 1fgg s THR 309 CO -0.08 -0.30 -0.11 -0.13 -0.54 0.00 0.00 174.62 173.46 1fgg s ARG 310 N -3.46 0.73 -0.20 3.99 0.52 -1.26 -3.93 118.95 115.33 1fgg s ARG 310 Ca 0.67 -0.74 -0.09 0.00 -0.52 0.00 0.00 55.73 55.05 1fgg s ARG 310 Cb -0.17 -0.66 -0.05 0.00 0.52 0.00 0.00 34.95 34.60 1fgg s ARG 310 CO 0.25 0.15 0.11 0.99 0.02 0.00 0.00 175.30 176.82 1fgg s THR 311 N -1.03 5.17 0.55 0.02 2.01 -1.26 -5.08 115.64 116.03 1fgg s THR 311 Ca -0.03 0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.86 1fgg s THR 311 Cb -0.08 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1fgg s THR 311 CO 0.01 0.43 1.32 -0.62 -0.69 0.00 0.00 174.62 175.07 1fgg n GLU 312 N 3.67 1.60 -2.73 4.92 1.02 -1.26 -4.96 120.64 122.91 1fgg n GLU 312 Ca -0.16 0.59 -0.42 0.00 -0.02 0.00 0.00 57.16 57.15 1fgg n GLU 312 Cb 0.52 -2.54 -0.03 0.00 -0.02 0.00 0.00 31.44 29.38 1fgg n GLU 312 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1fgg s LYS 313 N -2.88 4.37 0.42 3.49 2.20 -1.26 -4.99 119.74 121.09 1fgg s LYS 313 Ca 0.72 1.31 -0.26 0.00 -0.36 0.00 0.00 55.97 57.38 1fgg s LYS 313 Cb -0.42 -3.56 -0.09 0.00 -1.51 0.00 0.00 37.83 32.25 1fgg s LYS 313 CO 0.49 -0.37 1.38 -2.14 -0.36 0.00 0.00 175.35 174.35 1fgg s PRO 314 N 2.22 3.88 0.15 4.03 0.02 -1.26 -4.98 135.00 139.07 1fgg s PRO 314 Ca 0.46 2.33 -0.30 0.00 0.02 0.00 0.00 61.00 63.51 1fgg s PRO 314 Cb -0.17 -2.76 -0.07 0.00 0.02 0.00 0.00 34.50 31.52 1fgg s PRO 314 CO 0.15 -0.62 1.01 0.15 -0.33 0.00 0.00 177.00 177.35 1fgg s LYS 315 N -2.29 4.68 -0.10 5.54 -0.14 -1.26 -4.96 119.74 121.21 1fgg s LYS 315 Ca 0.58 1.55 0.15 0.00 -1.36 0.00 0.00 55.97 56.88 1fgg s LYS 315 Cb -0.42 -3.33 0.23 0.00 -1.68 0.00 0.00 37.83 32.64 1fgg s LYS 315 CO 0.54 0.20 1.12 -1.33 -0.76 0.00 0.00 175.35 175.13 1fgg n MET 316 N 2.49 1.00 -0.15 1.68 2.81 -1.26 -4.82 117.12 118.87 1fgg n MET 316 Ca 0.02 -2.26 -0.02 0.00 -1.81 0.00 0.00 57.70 53.62 1fgg n MET 316 Cb 0.48 -1.27 0.06 0.00 -0.71 0.00 0.00 33.22 31.78 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 0.05 0.14 -0.80 0.03 1.57 -2.00 -1.63 116.57 113.94 1fgg h LYS 317 Ca -0.00 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1fgg h LYS 317 Cb 1.10 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 1fgg h LYS 317 CO 0.00 0.10 0.52 1.96 -0.57 0.00 0.00 179.45 181.46 1fgg h GLN 318 N 0.15 1.06 -0.63 3.15 7.50 -2.00 -1.92 115.11 122.43 1fgg h GLN 318 Ca 0.25 -0.07 0.02 0.00 0.50 0.00 0.00 58.65 59.34 1fgg h GLN 318 Cb 0.36 -0.24 -0.03 0.00 0.05 0.00 0.00 27.48 27.62 1fgg h GLN 318 CO -0.38 0.71 0.40 1.49 -1.50 0.00 0.00 178.83 179.55 1fgg h GLU 319 N 1.09 0.79 -0.83 1.46 4.57 -1.68 -0.60 114.58 119.37 1fgg h GLU 319 Ca 0.29 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1fgg h GLU 319 Cb -0.11 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.26 1fgg h GLU 319 CO -0.06 0.52 0.51 0.93 -1.18 0.00 0.00 179.01 179.73 1fgg h GLU 320 N 0.81 1.11 0.10 1.92 5.08 -0.88 0.11 114.58 122.84 1fgg h GLU 320 Ca 0.24 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1fgg h GLU 320 Cb -0.05 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 28.96 1fgg h GLU 320 CO -0.07 0.77 -0.05 1.96 -1.00 0.00 0.00 179.01 180.62 1fgg h GLN 321 N 1.14 -0.13 0.00 2.33 4.20 -0.58 -2.38 115.11 119.68 1fgg h GLN 321 Ca 0.30 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.00 1fgg h GLN 321 Cb -0.06 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1fgg h GLN 321 CO -0.06 0.16 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.10 1fgg h LEU 322 N -0.42 0.00 -0.39 1.46 3.38 -0.91 -1.80 115.31 116.63 1fgg h LEU 322 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1fgg h LEU 322 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1fgg h LEU 322 CO 0.02 0.09 -0.06 1.56 0.09 0.00 0.00 178.44 180.14 1fgg h GLN 323 N 0.00 0.74 -0.57 1.13 1.08 -0.74 0.99 115.11 117.73 1fgg h GLN 323 Ca -0.00 -0.27 0.02 0.00 -1.45 0.00 0.00 58.65 56.95 1fgg h GLN 323 Cb 0.20 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 1fgg h GLN 323 CO 0.01 0.86 0.36 0.00 -0.95 0.00 0.00 178.83 179.12 1fgg h ARG 324 N 0.55 0.71 0.00 1.46 3.08 -0.81 -1.54 114.38 117.83 1fgg h ARG 324 Ca 0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1fgg h ARG 324 Cb 0.57 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1fgg h ARG 324 CO 0.03 0.47 0.00 1.04 -1.07 0.00 0.00 179.97 180.44 1fgg n GLN 325 N -4.73 0.57 -1.30 0.04 6.02 -1.04 -4.87 117.38 112.07 1fgg n GLN 325 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.93 1fgg n GLN 325 Cb 0.05 -1.18 -0.04 0.00 1.02 0.00 0.00 30.24 30.09 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 0.09 1.18 2.50 1.08 0.00 -0.58 -4.92 105.19 104.54 1fgg n GLY 326 Ca 0.05 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.66 1.54 -1.64 1.61 1.85 0.31 -5.02 116.66 112.66 1fgg n ARG 327 Ca -0.10 -3.59 -0.30 0.00 -1.00 0.00 0.00 57.85 52.86 1fgg n ARG 327 Cb 0.35 -1.61 0.09 0.00 -1.05 0.00 0.00 32.46 30.24 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 -2.97 1.61 -0.09 2.89 0.00 -1.17 -4.68 107.32 102.91 1fgg s GLY 328 Ca 0.36 -0.32 -0.35 0.00 0.00 0.00 0.00 44.72 44.41 1fgg s GLY 328 CO -0.04 0.12 1.84 1.44 0.00 0.00 0.00 173.10 176.46 1fgg n SER 329 N -3.40 3.28 -4.16 1.64 7.64 -1.26 -4.75 113.62 112.62 1fgg n SER 329 Ca 0.07 0.99 -0.59 0.00 1.01 0.00 0.00 58.87 60.35 1fgg n SER 329 Cb 0.57 -1.35 -0.11 0.00 -1.01 0.00 0.00 64.21 62.32 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 6.23 0.84 0.03 6.43 -0.08 -1.26 -4.78 116.55 123.95 1fgg n ASP 330 Ca 0.23 0.78 0.04 0.00 -1.51 0.00 0.00 54.79 54.33 1fgg n ASP 330 Cb 0.27 -0.85 0.18 0.00 2.34 0.00 0.00 41.12 43.07 1fgg n ASP 330 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1fgg n PRO 331 N 6.12 0.03 0.00 -0.67 -0.04 -1.26 -1.69 135.00 137.48 1fgg n PRO 331 Ca 0.45 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 64.48 1fgg n PRO 331 Cb -0.04 -1.57 0.42 0.00 -0.04 0.00 0.00 33.50 32.27 1fgg n PRO 331 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fgg n ALA 332 N -1.55 3.07 -2.67 0.55 0.00 -1.26 -4.65 120.51 114.00 1fgg n ALA 332 Ca 0.01 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.71 1fgg n ALA 332 Cb 0.07 -1.23 -0.09 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 -2.75 5.13 0.20 0.00 1.01 -0.68 -5.05 121.20 119.05 1fgg s ILE 333 Ca 0.19 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 1fgg s ILE 333 Cb 0.19 -3.94 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 1fgg s ILE 333 CO 0.58 -0.40 1.43 -0.70 0.00 0.00 0.00 174.94 175.85 1fgg s GLU 334 N 1.64 4.29 0.00 2.79 2.12 -1.26 -4.93 118.70 123.35 1fgg s GLU 334 Ca 0.04 2.23 0.00 0.00 0.36 0.00 0.00 54.97 57.60 1fgg s GLU 334 Cb -0.21 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.03 1fgg s GLU 334 CO 0.08 -0.42 0.40 0.28 -0.54 0.00 0.00 175.26 175.06