#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cgu n ASP 99 N 0.00 0.00 -4.74 0.55 9.92 -1.26 -4.84 116.55 116.17 3cgu n ASP 99 Ca 0.00 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.85 3cgu n ASP 99 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 3cgu n ASP 99 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3cgu s VAL 100 N 0.00 3.52 0.06 2.53 1.01 -1.26 -4.97 120.40 121.29 3cgu s VAL 100 Ca 0.00 1.33 -0.31 0.00 0.00 0.00 0.00 61.98 63.00 3cgu s VAL 100 Cb 0.00 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 3cgu s VAL 100 CO 0.00 0.24 1.67 -0.60 0.00 0.00 0.00 175.10 176.41 3cgu s ARG 101 N -0.53 4.19 -0.20 2.72 3.52 -1.26 -4.89 118.95 122.49 3cgu s ARG 101 Ca 0.51 2.35 -0.04 0.00 -0.13 0.00 0.00 55.73 58.42 3cgu s ARG 101 Cb -0.33 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.40 3cgu s ARG 101 CO 0.38 -0.76 -0.04 0.42 -0.81 0.00 0.00 175.30 174.49 3cgu s ILE 102 N 2.80 3.52 0.49 4.11 1.01 -1.26 -2.46 121.20 129.41 3cgu s ILE 102 Ca 0.75 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.97 3cgu s ILE 102 Cb -0.40 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 3cgu s ILE 102 CO 0.33 0.44 0.05 -1.48 0.00 0.00 0.00 174.94 174.28 3cgu s LEU 103 N 1.15 2.49 -0.00 2.97 2.34 -0.48 -5.01 118.68 122.14 3cgu s LEU 103 Ca 0.02 -1.53 0.02 0.00 0.06 0.00 0.00 54.13 52.70 3cgu s LEU 103 Cb -0.15 -0.85 -0.01 0.00 -0.56 0.00 0.00 46.19 44.63 3cgu s LEU 103 CO -0.00 -0.79 -0.08 -0.31 -1.06 0.00 0.00 176.35 174.11 3cgu s TYR 104 N -2.82 0.71 -0.19 3.48 1.51 -1.26 -1.04 117.35 117.73 3cgu s TYR 104 Ca 0.16 -0.14 0.29 0.00 -1.01 0.00 0.00 57.07 56.37 3cgu s TYR 104 Cb 0.03 -0.45 1.03 0.00 -0.11 0.00 0.00 41.96 42.46 3cgu s TYR 104 CO 0.09 -0.01 1.84 -0.56 -1.11 0.00 0.00 175.55 175.79 3cgu h GLN 105 N 5.91 0.00 -3.53 -0.62 3.07 -1.85 -3.43 115.11 114.67 3cgu h GLN 105 Ca -0.30 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.24 3cgu h GLN 105 Cb 1.18 0.00 -0.27 0.00 0.08 0.00 0.00 27.48 28.47 3cgu h GLN 105 CO 0.50 0.00 -0.61 0.08 0.09 0.00 0.00 178.83 178.88 3cgu s VAL 106 N -3.46 0.00 0.00 1.86 1.01 -1.26 -4.90 120.40 113.65 3cgu s VAL 106 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3cgu s VAL 106 Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.32 3cgu s VAL 106 CO 0.55 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3cgu n GLY 107 N 2.96 3.02 0.97 4.51 0.00 -1.26 -4.41 105.19 110.99 3cgu n GLY 107 Ca -0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 3cgu n GLY 107 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cgu n ASP 108 N 1.37 -0.37 -3.56 1.61 5.68 -1.26 -4.75 116.55 115.27 3cgu n ASP 108 Ca 0.00 -1.82 -0.06 0.00 -0.50 0.00 0.00 54.79 52.41 3cgu n ASP 108 Cb 0.00 0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 40.06 3cgu n ASP 108 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3cgu s SER 109 N -1.01 -0.23 0.40 -1.12 0.15 -1.26 -4.97 113.70 105.66 3cgu s SER 109 Ca 0.06 0.01 0.21 0.00 0.70 0.00 0.00 55.95 56.93 3cgu s SER 109 Cb 0.07 0.24 1.19 0.00 -1.71 0.00 0.00 66.02 65.81 3cgu s SER 109 CO -0.03 -0.39 1.70 -0.33 1.20 0.00 0.00 173.24 175.39 3cgu h GLU 110 N 2.01 0.29 -0.76 5.44 4.39 -1.98 -0.36 114.58 123.61 3cgu h GLU 110 Ca -0.14 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.65 3cgu h GLU 110 Cb 1.20 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.70 3cgu h GLU 110 CO 0.26 0.19 0.37 1.49 -1.16 0.00 0.00 179.01 180.16 3cgu h GLU 111 N 0.30 0.57 0.00 2.33 4.57 -1.97 -2.17 114.58 118.22 3cgu h GLU 111 Ca 0.69 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.84 3cgu h GLU 111 Cb 1.85 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.31 3cgu h GLU 111 CO -0.40 0.38 0.00 -0.25 -1.18 0.00 0.00 179.01 177.56 3cgu n ASP 112 N -4.88 0.61 -4.76 1.04 10.43 -0.15 -4.84 116.55 114.01 3cgu n ASP 112 Ca 0.13 0.59 -0.40 0.00 2.57 0.00 0.00 54.79 57.68 3cgu n ASP 112 Cb 0.33 -0.74 -0.04 0.00 1.84 0.00 0.00 41.12 42.51 3cgu n ASP 112 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3cgu s LEU 113 N -4.22 4.56 0.93 0.64 1.02 -0.82 -4.78 118.68 116.00 3cgu s LEU 113 Ca 0.09 2.23 -0.12 0.00 0.02 0.00 0.00 54.13 56.35 3cgu s LEU 113 Cb 0.12 -3.62 0.15 0.00 0.02 0.00 0.00 46.19 42.85 3cgu s LEU 113 CO 0.50 -0.12 1.10 -2.16 0.02 0.00 0.00 176.35 175.69 3cgu s PRO 114 N -1.35 0.99 0.15 1.29 0.04 -1.26 -4.78 135.00 130.07 3cgu s PRO 114 Ca 0.44 0.61 -0.22 0.00 0.04 0.00 0.00 61.00 61.88 3cgu s PRO 114 Cb -0.31 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 3cgu s PRO 114 CO 0.40 -2.37 0.70 0.08 0.04 0.00 0.00 177.00 175.85 3cgu s VAL 115 N -3.01 4.54 0.30 -0.36 1.01 -1.26 -1.70 120.40 119.91 3cgu s VAL 115 Ca 0.64 1.43 -0.29 0.00 0.00 0.00 0.00 61.98 63.77 3cgu s VAL 115 Cb -0.17 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 3cgu s VAL 115 CO 0.56 0.45 1.07 0.00 0.00 0.00 0.00 175.10 177.18 3cgu s ALA 117 N -1.26 3.22 0.13 0.00 0.00 -1.26 -4.53 121.76 118.06 3cgu s ALA 117 Ca 0.46 -0.23 -0.35 0.00 0.00 0.00 0.00 51.96 51.85 3cgu s ALA 117 Cb -0.29 -2.89 -0.17 0.00 0.00 0.00 0.00 23.12 19.77 3cgu s ALA 117 CO 0.37 -0.53 1.18 -2.30 0.00 0.00 0.00 175.76 174.48 3cgu n PRO 118 N -2.48 0.97 -2.82 0.00 -0.02 -1.26 -2.69 135.00 126.70 3cgu n PRO 118 Ca 0.04 0.35 -0.21 0.00 -2.02 0.00 0.00 63.50 61.66 3cgu n PRO 118 Cb 0.54 -1.87 0.02 0.00 -0.02 0.00 0.00 33.50 32.18 3cgu n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3cgu n ASN 119 N 2.11 -5.89 -4.92 2.55 3.02 -1.26 -4.86 115.26 106.01 3cgu n ASN 119 Ca 0.17 -0.21 -0.30 0.00 -0.03 0.00 0.00 54.58 54.21 3cgu n ASN 119 Cb 0.21 -4.76 -0.04 0.00 -0.61 0.00 0.00 39.78 34.58 3cgu n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cgu s ALA 120 N -3.11 3.95 -0.06 5.41 0.00 -1.09 0.23 121.76 127.08 3cgu s ALA 120 Ca 0.21 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 3cgu s ALA 120 Cb -0.09 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 3cgu s ALA 120 CO 0.26 0.75 1.33 0.08 0.00 0.00 0.00 175.76 178.18 3cgu s VAL 121 N -1.58 3.99 -0.10 0.00 1.01 -0.25 -4.46 120.40 119.01 3cgu s VAL 121 Ca 0.36 1.31 0.15 0.00 0.00 0.00 0.00 61.98 63.81 3cgu s VAL 121 Cb -0.13 -3.84 -0.20 0.00 0.00 0.00 0.00 36.38 32.21 3cgu s VAL 121 CO 0.27 -0.04 0.62 0.00 0.00 0.00 0.00 175.10 175.95 3cgu s SER 123 N -5.82 -0.32 -0.18 0.00 0.01 -1.23 0.07 113.70 106.23 3cgu s SER 123 Ca -0.05 0.59 -0.02 0.00 1.31 0.00 0.00 55.95 57.78 3cgu s SER 123 Cb 0.08 0.62 -0.01 0.00 0.21 0.00 0.00 66.02 66.92 3cgu s SER 123 CO 0.82 -0.14 -0.10 -0.54 0.41 0.00 0.00 173.24 173.69 3cgu s LYS 124 N 0.02 3.33 -0.24 12.44 1.02 -0.42 -1.49 119.74 134.40 3cgu s LYS 124 Ca -0.01 -0.68 -0.05 0.00 0.02 0.00 0.00 55.97 55.25 3cgu s LYS 124 Cb -0.03 -2.79 -0.01 0.00 -0.52 0.00 0.00 37.83 34.49 3cgu s LYS 124 CO 0.01 -0.02 0.00 0.42 -0.92 0.00 0.00 175.35 174.84 3cgu s ILE 125 N 0.96 3.67 -0.21 2.17 1.01 -0.31 0.40 121.20 128.90 3cgu s ILE 125 Ca -0.01 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 3cgu s ILE 125 Cb -0.15 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 3cgu s ILE 125 CO -0.01 0.33 0.15 -0.62 0.00 0.00 0.00 174.94 174.79 3cgu s ASP 126 N 1.51 6.19 -0.23 3.58 -1.08 -0.05 -0.91 116.67 125.68 3cgu s ASP 126 Ca 0.05 0.21 0.11 0.00 -0.52 0.00 0.00 52.55 52.40 3cgu s ASP 126 Cb -0.15 -2.10 0.44 0.00 -1.46 0.00 0.00 42.92 39.65 3cgu s ASP 126 CO -0.01 0.14 1.28 0.18 0.52 0.00 0.00 175.17 177.28 3cgu n LEU 127 N 3.77 3.08 0.04 -1.34 4.77 -0.93 -1.47 117.00 124.91 3cgu n LEU 127 Ca -0.15 -3.86 -0.02 0.00 -0.03 0.00 0.00 56.01 51.94 3cgu n LEU 127 Cb 0.52 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3cgu n LEU 127 CO 0.37 1.36 0.11 0.22 -1.33 0.00 0.00 177.39 178.11 3cgu h TYR 128 N 0.99 -0.13 0.00 -1.77 5.03 -1.95 -3.46 116.97 115.68 3cgu h TYR 128 Ca 0.06 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.37 3cgu h TYR 128 Cb 1.17 0.04 0.00 0.00 1.55 0.00 0.00 36.73 39.50 3cgu h TYR 128 CO 0.82 -0.08 0.00 0.39 -1.32 0.00 0.00 178.16 177.97 3cgu n GLU 129 N -3.48 0.00 -2.72 1.82 -0.58 -1.26 -4.97 120.64 109.45 3cgu n GLU 129 Ca -0.02 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.30 3cgu n GLU 129 Cb 0.06 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.90 3cgu n GLU 129 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3cgu s THR 130 N 0.58 4.59 0.22 2.62 2.01 -1.26 -5.00 115.64 119.39 3cgu s THR 130 Ca 0.00 1.61 -0.31 0.00 0.31 0.00 0.00 61.69 63.30 3cgu s THR 130 Cb 0.00 -4.34 -0.11 0.00 0.01 0.00 0.00 72.50 68.05 3cgu s THR 130 CO 0.00 -0.41 1.64 -2.84 -0.69 0.00 0.00 174.62 172.32 3cgu s PRO 131 N 3.46 4.15 0.06 4.92 0.02 -1.26 -4.85 135.00 141.50 3cgu s PRO 131 Ca 0.42 2.52 0.02 0.00 0.02 0.00 0.00 61.00 63.98 3cgu s PRO 131 Cb -0.13 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 3cgu s PRO 131 CO 0.14 -0.67 -0.07 1.67 -0.33 0.00 0.00 177.00 177.74 3cgu s TRP 132 N 0.86 0.71 -0.20 6.54 1.48 -0.54 -4.30 118.94 123.49 3cgu s TRP 132 Ca 0.70 -0.66 -0.03 0.00 -1.06 0.00 0.00 56.10 55.06 3cgu s TRP 132 Cb -0.47 -0.42 -0.01 0.00 -1.16 0.00 0.00 33.47 31.40 3cgu s TRP 132 CO 0.36 -0.12 -0.07 0.42 -4.06 0.00 0.00 176.95 173.48 3cgu s ILE 133 N -2.19 3.27 -0.34 0.66 1.01 -1.03 -0.88 121.20 121.70 3cgu s ILE 133 Ca -0.03 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.00 3cgu s ILE 133 Cb -0.04 -2.46 0.03 0.00 0.01 0.00 0.00 42.46 39.99 3cgu s ILE 133 CO -0.02 0.45 0.14 -0.70 0.00 0.00 0.00 174.94 174.82 3cgu s GLU 134 N 1.22 2.82 0.08 2.79 2.12 0.16 -1.38 118.70 126.52 3cgu s GLU 134 Ca 0.02 -1.06 -0.31 0.00 0.36 0.00 0.00 54.97 53.99 3cgu s GLU 134 Cb -0.14 -3.56 -0.08 0.00 0.26 0.00 0.00 34.13 30.61 3cgu s GLU 134 CO -0.02 -0.63 1.48 1.03 -0.54 0.00 0.00 175.26 176.58 3cgu s ARG 135 N 1.49 4.27 -0.24 4.30 1.81 -0.21 -1.30 118.95 129.07 3cgu s ARG 135 Ca 0.01 2.15 -0.07 0.00 -1.72 0.00 0.00 55.73 56.10 3cgu s ARG 135 Cb -0.19 -3.39 -0.17 0.00 -0.45 0.00 0.00 34.95 30.75 3cgu s ARG 135 CO 0.05 -0.56 -0.12 1.04 -0.68 0.00 0.00 175.30 175.02 3cgu n GLN 136 N 4.68 0.64 -3.83 3.54 1.13 0.11 -2.70 117.38 120.95 3cgu n GLN 136 Ca 0.13 0.25 -0.07 0.00 -1.94 0.00 0.00 57.00 55.37 3cgu n GLN 136 Cb 0.42 -1.57 0.02 0.00 0.11 0.00 0.00 30.24 29.21 3cgu n GLN 136 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cgu s ARG 138 N -2.54 3.75 0.29 0.00 0.52 -0.69 -4.85 118.95 115.43 3cgu s ARG 138 Ca 0.16 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 54.73 3cgu s ARG 138 Cb -0.05 -3.12 -0.10 0.00 0.52 0.00 0.00 34.95 32.20 3cgu s ARG 138 CO 0.09 0.39 1.45 0.00 0.02 0.00 0.00 175.30 177.25 3cgu s PRO 140 N -0.84 4.40 0.88 0.00 0.04 -1.26 -4.70 135.00 133.52 3cgu s PRO 140 Ca 0.58 2.09 -0.12 0.00 0.04 0.00 0.00 61.00 63.58 3cgu s PRO 140 Cb -0.43 -3.15 0.12 0.00 0.04 0.00 0.00 34.50 31.07 3cgu s PRO 140 CO 0.48 -0.18 1.16 -0.51 0.04 0.00 0.00 177.00 177.99 3cgu s ASP 141 N -0.06 3.86 -0.97 6.66 1.11 -1.26 -3.15 116.67 122.86 3cgu s ASP 141 Ca 0.53 0.87 -0.03 0.00 0.18 0.00 0.00 52.55 54.10 3cgu s ASP 141 Cb -0.37 -1.40 0.23 0.00 1.07 0.00 0.00 42.92 42.45 3cgu s ASP 141 CO 0.43 -2.32 2.18 0.61 1.18 0.00 0.00 175.17 177.25 3cgu n GLY 142 N -2.66 5.46 3.64 0.21 0.00 -1.26 -5.11 105.19 105.46 3cgu n GLY 142 Ca 0.07 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.51 3cgu n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cgu s ARG 143 N -3.00 1.99 0.12 1.61 0.52 -1.19 -5.17 118.95 113.83 3cgu s ARG 143 Ca 0.49 -2.15 -0.11 0.00 -0.52 0.00 0.00 55.73 53.44 3cgu s ARG 143 Cb 0.28 -1.57 0.01 0.00 0.52 0.00 0.00 34.95 34.18 3cgu s ARG 143 CO -0.20 -0.11 0.27 -0.08 0.02 0.00 0.00 175.30 175.20 3cgu s THR 144 N -2.77 0.10 -0.09 0.02 -1.32 -1.26 -4.59 115.64 105.73 3cgu s THR 144 Ca 0.30 -1.10 -0.29 0.00 -1.21 0.00 0.00 61.69 59.39 3cgu s THR 144 Cb 0.08 -1.45 -0.02 0.00 -1.51 0.00 0.00 72.50 69.61 3cgu s THR 144 CO 0.15 -0.47 0.99 0.00 -2.21 0.00 0.00 174.62 173.08 3cgu s PRO 261 N 1.84 2.48 0.00 0.00 0.02 -1.26 -4.99 135.00 133.09 3cgu s PRO 261 Ca 0.48 1.57 0.00 0.00 0.02 0.00 0.00 61.00 63.07 3cgu s PRO 261 Cb -0.19 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.44 3cgu s PRO 261 CO 0.19 -1.53 0.04 0.43 -0.33 0.00 0.00 177.00 175.80 3cgu n SER 262 N -2.55 0.05 -4.53 2.53 7.64 -1.26 -4.93 113.62 110.57 3cgu n SER 262 Ca 0.12 -1.00 -0.36 0.00 1.01 0.00 0.00 58.87 58.63 3cgu n SER 262 Cb 0.51 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.78 3cgu n SER 262 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3cgu n SER 263 N -0.00 -0.42 -0.23 6.43 2.88 -1.26 -4.91 113.62 116.12 3cgu n SER 263 Ca 0.00 0.66 0.12 0.00 -1.33 0.00 0.00 58.87 58.32 3cgu n SER 263 Cb 0.25 -1.29 0.14 0.00 -0.75 0.00 0.00 64.21 62.55 3cgu n SER 263 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3cgu n LEU 264 N -0.67 1.23 0.00 2.46 4.77 -1.26 -4.93 117.00 118.60 3cgu n LEU 264 Ca 0.12 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3cgu n LEU 264 Cb 0.49 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3cgu n LEU 264 CO 0.50 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3cgu n GLY 265 N 1.43 1.31 0.00 -0.72 0.00 -1.26 -5.05 105.19 100.90 3cgu n GLY 265 Ca 0.08 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.12 3cgu n GLY 265 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cgu n VAL 266 N -0.55 0.61 0.18 1.61 0.24 -1.26 -4.77 118.33 114.39 3cgu n VAL 266 Ca 0.00 -0.68 0.04 0.00 -2.04 0.00 0.00 64.34 61.66 3cgu n VAL 266 Cb 0.00 0.74 0.28 0.00 -1.47 0.00 0.00 33.84 33.39 3cgu n VAL 266 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3cgu h GLU 267 N 0.00 0.00 0.00 7.34 4.39 -1.96 -3.27 114.58 121.07 3cgu h GLU 267 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3cgu h GLU 267 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3cgu h GLU 267 CO 0.00 0.42 0.00 -0.40 -1.16 0.00 0.00 179.01 177.87 3cgu n ASP 268 N -3.52 0.21 -0.30 1.42 3.85 -1.26 -4.85 116.55 112.11 3cgu n ASP 268 Ca -0.00 0.57 -0.04 0.00 -0.71 0.00 0.00 54.79 54.61 3cgu n ASP 268 Cb 0.55 -0.61 -0.02 0.00 -1.35 0.00 0.00 41.12 39.70 3cgu n ASP 268 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3cgu n GLY 269 N -0.71 0.66 0.00 6.12 0.00 -1.24 -4.88 105.19 105.15 3cgu n GLY 269 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3cgu n GLY 269 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3cgu n HIS 270 N -2.74 0.00 -5.13 1.61 -0.00 -1.26 -0.83 115.22 106.88 3cgu n HIS 270 Ca -0.04 -0.46 -0.32 0.00 -0.00 0.00 0.00 57.72 56.90 3cgu n HIS 270 Cb 0.20 -0.05 -0.15 0.00 -0.00 0.00 0.00 29.99 29.99 3cgu n HIS 270 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3cgu s THR 271 N -0.93 2.41 -0.27 1.59 2.01 -1.26 0.40 115.64 119.59 3cgu s THR 271 Ca 0.00 -0.95 -0.06 0.00 0.31 0.00 0.00 61.69 61.00 3cgu s THR 271 Cb 0.00 -1.90 0.00 0.00 0.01 0.00 0.00 72.50 70.61 3cgu s THR 271 CO 0.00 0.57 0.04 -0.63 -0.69 0.00 0.00 174.62 173.92 3cgu s ILE 272 N -0.36 3.83 0.02 1.82 1.01 0.43 -4.94 121.20 123.01 3cgu s ILE 272 Ca 0.03 -0.59 -0.24 0.00 0.00 0.00 0.00 60.65 59.84 3cgu s ILE 272 Cb -0.12 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 3cgu s ILE 272 CO 0.02 0.20 0.74 0.00 0.00 0.00 0.00 174.94 175.89 3cgu s ALA 273 N 1.50 3.38 -0.32 9.38 0.00 -1.26 -0.71 121.76 133.73 3cgu s ALA 273 Ca 0.04 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.23 3cgu s ALA 273 Cb -0.16 -2.96 0.14 0.00 0.00 0.00 0.00 23.12 20.14 3cgu s ALA 273 CO 0.01 0.05 0.32 0.34 0.00 0.00 0.00 175.76 176.48 3cgu s ASP 274 N 0.09 1.54 0.18 0.00 2.15 0.23 -5.00 116.67 115.86 3cgu s ASP 274 Ca 0.38 -1.08 0.00 0.00 0.43 0.00 0.00 52.55 52.27 3cgu s ASP 274 Cb -0.20 0.50 0.00 0.00 -0.30 0.00 0.00 42.92 42.92 3cgu s ASP 274 CO 0.21 -0.34 0.00 0.29 -0.17 0.00 0.00 175.17 175.16 3cgu n LYS 275 N 4.91 0.00 -0.10 4.34 5.02 -1.26 -1.35 118.16 129.71 3cgu n LYS 275 Ca 0.03 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.36 3cgu n LYS 275 Cb 0.46 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.56 3cgu n LYS 275 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3cgu n THR 276 N 0.00 0.75 -4.11 -0.18 5.66 -1.26 -5.00 114.28 110.15 3cgu n THR 276 Ca 0.00 -0.88 -0.12 0.00 -3.05 0.00 0.00 64.05 60.00 3cgu n THR 276 Cb 0.00 0.67 -0.11 0.00 -1.55 0.00 0.00 70.33 69.34 3cgu n THR 276 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3cgu s ARG 277 N -0.93 0.66 -0.04 1.09 0.52 -0.46 -2.20 118.95 117.58 3cgu s ARG 277 Ca 0.16 -0.98 0.06 0.00 -0.52 0.00 0.00 55.73 54.45 3cgu s ARG 277 Cb 0.09 -0.29 -0.01 0.00 0.52 0.00 0.00 34.95 35.26 3cgu s ARG 277 CO 0.12 0.03 -0.24 -1.01 0.02 0.00 0.00 175.30 174.22 3cgu s HIS 278 N -2.20 2.25 -0.18 -0.53 3.76 -0.08 -0.60 115.29 117.71 3cgu s HIS 278 Ca -0.02 -0.59 -0.01 0.00 -0.15 0.00 0.00 55.06 54.29 3cgu s HIS 278 Cb -0.04 -1.47 -0.00 0.00 1.11 0.00 0.00 32.58 32.17 3cgu s HIS 278 CO -0.01 -0.15 -0.11 0.71 -0.85 0.00 0.00 174.74 174.32 3cgu s TYR 279 N -0.26 2.86 -0.12 1.40 1.51 0.11 -1.16 117.35 121.69 3cgu s TYR 279 Ca 0.00 -1.02 -0.17 0.00 -1.01 0.00 0.00 57.07 54.87 3cgu s TYR 279 Cb -0.12 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 3cgu s TYR 279 CO 0.02 -0.51 0.45 0.15 -1.11 0.00 0.00 175.55 174.55 3cgu s LYS 280 N 1.07 4.32 0.23 -0.62 -0.14 -0.55 -0.43 119.74 123.61 3cgu s LYS 280 Ca -0.00 0.39 0.06 0.00 -1.36 0.00 0.00 55.97 55.07 3cgu s LYS 280 Cb -0.15 -3.43 -0.04 0.00 -1.68 0.00 0.00 37.83 32.54 3cgu s LYS 280 CO -0.03 0.18 0.19 -1.64 -0.76 0.00 0.00 175.35 173.29 3cgu s MET 281 N 0.56 2.94 0.07 1.68 -1.94 0.16 -0.80 119.30 121.97 3cgu s MET 281 Ca 0.24 -0.99 -0.15 0.00 -1.71 0.00 0.00 55.69 53.09 3cgu s MET 281 Cb -0.15 -2.60 -0.21 0.00 2.01 0.00 0.00 34.83 33.89 3cgu s MET 281 CO 0.09 0.43 1.22 0.00 -0.01 0.00 0.00 175.02 176.75 3cgu s GLN 283 N -3.47 3.30 0.38 0.00 -1.52 -1.26 -4.79 119.66 112.30 3cgu s GLN 283 Ca -0.11 -0.79 -0.28 0.00 -1.95 0.00 0.00 55.36 52.24 3cgu s GLN 283 Cb 0.07 -2.82 -0.10 0.00 -0.22 0.00 0.00 33.01 29.94 3cgu s GLN 283 CO 0.90 0.22 1.43 -2.14 -0.25 0.00 0.00 175.29 175.44 3cgu s PRO 284 N -4.13 4.10 0.60 2.91 0.02 -1.26 -4.78 135.00 132.46 3cgu s PRO 284 Ca 0.40 2.45 0.38 0.00 0.02 0.00 0.00 61.00 64.25 3cgu s PRO 284 Cb -0.09 -2.94 1.82 0.00 0.02 0.00 0.00 34.50 33.30 3cgu s PRO 284 CO 0.31 -0.49 2.15 -0.39 -0.33 0.00 0.00 177.00 178.25 3cgu h VAL 285 N 2.87 0.05 0.00 3.83 -1.51 -1.30 -2.89 116.25 117.30 3cgu h VAL 285 Ca -0.50 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 3cgu h VAL 285 Cb 1.24 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 3cgu h VAL 285 CO 0.64 0.01 0.00 0.45 -1.23 0.00 0.00 177.57 177.44 3cgu h HIS 286 N 0.00 0.00 0.00 5.19 3.86 -1.90 -2.63 115.15 119.66 3cgu h HIS 286 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3cgu h HIS 286 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3cgu h HIS 286 CO 0.00 0.00 0.00 0.87 0.86 0.00 0.00 177.93 179.66 3cgu h LYS 287 N 0.00 0.00 -6.25 2.45 1.57 -1.89 -3.42 116.57 109.03 3cgu h LYS 287 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3cgu h LYS 287 Cb 0.78 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 3cgu h LYS 287 CO 0.00 0.00 -0.03 -0.51 -0.57 0.00 0.00 179.45 178.34 3cgu s LEU 288 N -4.94 4.52 0.70 2.94 1.43 -0.99 -5.07 118.68 117.27 3cgu s LEU 288 Ca -0.01 1.26 -0.15 0.00 -1.03 0.00 0.00 54.13 54.20 3cgu s LEU 288 Cb 0.08 -2.92 0.02 0.00 0.03 0.00 0.00 46.19 43.40 3cgu s LEU 288 CO 0.31 0.26 1.17 -2.16 0.23 0.00 0.00 176.35 176.16 3cgu s PRO 289 N -1.16 2.43 0.14 1.29 0.04 -1.26 -4.74 135.00 131.74 3cgu s PRO 289 Ca 0.30 1.61 -0.23 0.00 0.04 0.00 0.00 61.00 62.72 3cgu s PRO 289 Cb -0.19 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 3cgu s PRO 289 CO 0.19 -1.58 0.70 0.08 0.04 0.00 0.00 177.00 176.43 3cgu s VAL 290 N -2.12 4.51 0.15 -0.36 1.01 -1.26 -0.62 120.40 121.71 3cgu s VAL 290 Ca 0.71 1.49 -0.28 0.00 0.00 0.00 0.00 61.98 63.91 3cgu s VAL 290 Cb -0.25 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 3cgu s VAL 290 CO 0.43 0.51 0.88 0.00 0.00 0.00 0.00 175.10 176.92 3cgu n LYS 292 N 2.12 0.24 -2.56 0.00 0.00 -1.26 -4.47 118.16 112.23 3cgu n LYS 292 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.05 3cgu n LYS 292 Cb 0.49 -0.02 0.04 0.00 -0.00 0.00 0.00 35.03 35.53 3cgu n LYS 292 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 3cgu s HIS 293 N 0.00 3.07 0.03 5.58 3.76 -1.26 -5.04 115.29 121.43 3cgu s HIS 293 Ca 0.00 0.32 -0.30 0.00 -0.15 0.00 0.00 55.06 54.93 3cgu s HIS 293 Cb 0.00 -2.73 -0.04 0.00 1.11 0.00 0.00 32.58 30.91 3cgu s HIS 293 CO 0.00 -0.85 1.11 0.12 -0.85 0.00 0.00 174.74 174.27 3cgu s PHE 294 N -2.88 3.52 -1.52 1.40 5.36 -1.26 -3.72 117.98 118.88 3cgu s PHE 294 Ca 0.55 1.47 -0.08 0.00 -0.96 0.00 0.00 56.93 57.91 3cgu s PHE 294 Cb -0.10 -3.29 0.06 0.00 -0.34 0.00 0.00 43.02 39.35 3cgu s PHE 294 CO 0.41 -0.74 0.60 0.54 -1.46 0.00 0.00 175.22 174.58 3cgu n ARG 295 N 3.97 -3.47 -2.75 10.12 3.00 -1.26 -4.94 116.66 121.33 3cgu n ARG 295 Ca 0.08 0.41 -0.41 0.00 -0.01 0.00 0.00 57.85 57.92 3cgu n ARG 295 Cb 0.48 -4.82 -0.05 0.00 0.00 0.00 0.00 32.46 28.07 3cgu n ARG 295 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3cgu s ASP 296 N -3.89 7.51 -0.31 0.55 1.11 -1.24 -5.03 116.67 115.37 3cgu s ASP 296 Ca 0.33 1.81 -0.25 0.00 0.18 0.00 0.00 52.55 54.61 3cgu s ASP 296 Cb -0.18 -2.59 0.01 0.00 1.07 0.00 0.00 42.92 41.23 3cgu s ASP 296 CO 0.90 -0.01 0.89 -0.31 1.18 0.00 0.00 175.17 177.81 3cgu s TYR 297 N -0.25 3.19 0.23 4.23 1.51 -1.26 -4.37 117.35 120.62 3cgu s TYR 297 Ca 0.45 0.95 -0.06 0.00 -1.01 0.00 0.00 57.07 57.40 3cgu s TYR 297 Cb -0.24 -3.38 0.21 0.00 -0.11 0.00 0.00 41.96 38.44 3cgu s TYR 297 CO 0.30 -0.64 1.75 0.00 -1.11 0.00 0.00 175.55 175.86 3cgu h THR 298 N 5.65 1.25 -2.93 -0.71 1.03 -1.43 -3.40 112.91 112.37 3cgu h THR 298 Ca -0.23 -0.93 0.01 0.00 -0.01 0.00 0.00 66.41 65.25 3cgu h THR 298 Cb 1.08 0.57 -0.11 0.00 -1.07 0.00 0.00 68.15 68.62 3cgu h THR 298 CO 0.94 0.35 0.24 -1.66 -0.01 0.00 0.00 175.52 175.38 3cgu s TRP 299 N -5.28 -0.47 -0.04 0.00 -2.14 -1.24 -0.44 118.94 109.33 3cgu s TRP 299 Ca -0.11 0.23 0.05 0.00 2.66 0.00 0.00 56.10 58.92 3cgu s TRP 299 Cb 0.15 0.58 -0.01 0.00 -3.10 0.00 0.00 33.47 31.10 3cgu s TRP 299 CO 0.83 -0.88 -0.17 0.95 -2.66 0.00 0.00 176.95 175.02 3cgu s THR 300 N -3.72 1.42 -0.25 0.66 -4.23 -0.81 -2.05 115.64 106.67 3cgu s THR 300 Ca 0.03 -0.72 -0.06 0.00 -1.18 0.00 0.00 61.69 59.75 3cgu s THR 300 Cb -0.02 -1.22 -0.02 0.00 1.34 0.00 0.00 72.50 72.59 3cgu s THR 300 CO -0.10 0.41 0.04 -0.22 -0.54 0.00 0.00 174.62 174.21 3cgu s LEU 301 N -0.05 3.33 -0.12 4.79 0.20 0.76 -2.03 118.68 125.56 3cgu s LEU 301 Ca -0.02 -0.32 -0.03 0.00 0.69 0.00 0.00 54.13 54.45 3cgu s LEU 301 Cb -0.11 -1.86 -0.03 0.00 -0.43 0.00 0.00 46.19 43.76 3cgu s LEU 301 CO 0.02 -0.05 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.13 3cgu s THR 302 N 1.56 4.21 -0.15 3.68 2.01 0.29 -0.13 115.64 127.11 3cgu s THR 302 Ca 0.06 -0.26 -0.00 0.00 0.31 0.00 0.00 61.69 61.79 3cgu s THR 302 Cb -0.15 -2.81 0.03 0.00 0.01 0.00 0.00 72.50 69.58 3cgu s THR 302 CO 0.01 0.55 -0.09 0.28 -0.69 0.00 0.00 174.62 174.68 3cgu s THR 303 N -0.27 1.27 0.07 -0.82 -1.32 -0.80 -2.14 115.64 111.65 3cgu s THR 303 Ca 0.06 -0.58 -0.09 0.00 -1.21 0.00 0.00 61.69 59.87 3cgu s THR 303 Cb -0.12 -1.32 -0.06 0.00 -1.51 0.00 0.00 72.50 69.49 3cgu s THR 303 CO 0.02 0.29 0.37 0.00 -2.21 0.00 0.00 174.62 173.09 3cgu s ALA 304 N 1.59 3.76 0.06 11.08 0.00 -1.26 -2.74 121.76 134.24 3cgu s ALA 304 Ca 0.03 -0.44 -0.23 0.00 0.00 0.00 0.00 51.96 51.32 3cgu s ALA 304 Cb -0.14 -2.21 -0.11 0.00 0.00 0.00 0.00 23.12 20.66 3cgu s ALA 304 CO -0.09 0.59 1.35 0.00 0.00 0.00 0.00 175.76 177.62 3cgu h ALA 305 N 3.67 -0.97 0.00 0.00 0.00 -1.70 -3.17 119.26 117.09 3cgu h ALA 305 Ca -0.49 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3cgu h ALA 305 Cb 1.19 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.59 3cgu h ALA 305 CO 0.67 -1.00 0.00 0.39 0.00 0.00 0.00 179.25 179.31 3cgu n GLU 306 N -4.35 0.54 -3.67 0.00 1.02 -1.26 -4.80 120.64 108.12 3cgu n GLU 306 Ca -0.07 0.01 -0.36 0.00 -0.02 0.00 0.00 57.16 56.71 3cgu n GLU 306 Cb 0.29 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.14 3cgu n GLU 306 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3cgu s LEU 307 N -2.43 4.31 0.00 -4.62 1.02 -1.20 -4.95 118.68 110.81 3cgu s LEU 307 Ca 0.32 0.50 0.06 0.00 0.02 0.00 0.00 54.13 55.03 3cgu s LEU 307 Cb 0.20 -2.26 0.33 0.00 0.02 0.00 0.00 46.19 44.48 3cgu s LEU 307 CO 0.42 0.24 0.99 -0.46 0.02 0.00 0.00 176.35 177.56 3cgu n ASN 308 N 2.84 0.00 -4.15 2.29 0.23 -1.26 -4.70 115.26 110.50 3cgu n ASN 308 Ca -0.15 -1.33 -0.15 0.00 -0.53 0.00 0.00 54.58 52.42 3cgu n ASN 308 Cb 0.53 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.12 3cgu n ASN 308 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3cgu s VAL 309 N -2.00 0.91 0.05 3.53 1.01 -1.26 -4.75 120.40 117.89 3cgu s VAL 309 Ca 0.08 -1.43 0.07 0.00 0.00 0.00 0.00 61.98 60.70 3cgu s VAL 309 Cb 0.04 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3cgu s VAL 309 CO 0.06 -0.43 -0.20 0.42 0.00 0.00 0.00 175.10 174.95 3cgu s THR 310 N -1.89 1.65 -0.05 3.92 -4.23 -1.26 -4.24 115.64 109.54 3cgu s THR 310 Ca 0.00 -1.21 0.04 0.00 -1.18 0.00 0.00 61.69 59.34 3cgu s THR 310 Cb -0.06 -1.44 -0.03 0.00 1.34 0.00 0.00 72.50 72.31 3cgu s THR 310 CO 0.01 0.18 -0.15 -1.61 -0.54 0.00 0.00 174.62 172.52 3cgu s GLU 311 N -1.21 2.49 -0.29 3.99 2.02 -0.91 -4.98 118.70 119.81 3cgu s GLU 311 Ca 0.07 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.39 3cgu s GLU 311 Cb -0.09 -2.37 0.07 0.00 0.10 0.00 0.00 34.13 31.85 3cgu s GLU 311 CO 0.02 0.62 -0.05 -1.14 0.02 0.00 0.00 175.26 174.73 3cgu s GLN 312 N -0.73 1.96 -0.23 1.61 0.74 -1.26 -0.55 119.66 121.20 3cgu s GLN 312 Ca 0.11 -1.55 -0.12 0.00 0.05 0.00 0.00 55.36 53.86 3cgu s GLN 312 Cb -0.11 -3.01 -0.05 0.00 1.10 0.00 0.00 33.01 30.94 3cgu s GLN 312 CO 0.00 -0.71 0.22 0.42 -0.55 0.00 0.00 175.29 174.68 3cgu s ILE 313 N 1.03 5.32 -0.11 -2.34 -1.09 -0.86 -1.09 121.20 122.05 3cgu s ILE 313 Ca -0.02 0.32 -0.20 0.00 -2.23 0.00 0.00 60.65 58.52 3cgu s ILE 313 Cb -0.20 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 3cgu s ILE 313 CO -0.06 0.32 0.57 -0.69 -1.23 0.00 0.00 174.94 173.85 3cgu s VAL 314 N 1.16 5.12 -0.22 2.92 1.01 0.14 -1.93 120.40 128.59 3cgu s VAL 314 Ca 0.10 1.15 0.10 0.00 0.00 0.00 0.00 61.98 63.33 3cgu s VAL 314 Cb -0.14 -3.91 -0.20 0.00 0.00 0.00 0.00 36.38 32.13 3cgu s VAL 314 CO 0.06 0.27 -0.07 1.41 0.00 0.00 0.00 175.10 176.77 3cgu n HIS 315 N 3.91 0.00 -3.89 5.22 -0.00 0.41 -4.86 115.22 116.01 3cgu n HIS 315 Ca -0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.58 3cgu n HIS 315 Cb 0.51 -0.95 -0.01 0.00 -0.00 0.00 0.00 29.99 29.55 3cgu n HIS 315 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3cgu s ARG 317 N -3.01 3.25 0.45 0.00 0.52 0.20 -4.74 118.95 115.63 3cgu s ARG 317 Ca 0.18 -0.59 -0.24 0.00 -0.52 0.00 0.00 55.73 54.55 3cgu s ARG 317 Cb -0.04 -2.70 -0.08 0.00 0.52 0.00 0.00 34.95 32.65 3cgu s ARG 317 CO 0.12 0.37 1.30 0.00 0.02 0.00 0.00 175.30 177.11 3cgu s PRO 319 N -2.50 -0.60 0.17 0.00 0.02 -1.26 -4.86 135.00 125.97 3cgu s PRO 319 Ca 0.62 0.94 -0.31 0.00 0.02 0.00 0.00 61.00 62.27 3cgu s PRO 319 Cb -0.37 -1.58 -0.17 0.00 0.02 0.00 0.00 34.50 32.39 3cgu s PRO 319 CO 0.47 -3.54 0.76 -2.13 -0.33 0.00 0.00 177.00 172.23 3cgu n ARG 320 N -4.80 0.31 -3.99 5.54 3.00 -1.26 -2.11 116.66 113.35 3cgu n ARG 320 Ca 0.04 0.11 -0.26 0.00 -0.00 0.00 0.00 57.85 57.74 3cgu n ARG 320 Cb 0.54 -1.31 -0.08 0.00 0.00 0.00 0.00 32.46 31.61 3cgu n ARG 320 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3cgu n ASN 321 N 1.81 0.66 -4.20 6.15 2.04 -1.26 -4.96 115.26 115.50 3cgu n ASN 321 Ca 0.17 -1.05 -0.32 0.00 -0.44 0.00 0.00 54.58 52.94 3cgu n ASN 321 Cb 0.23 -1.30 -0.17 0.00 -2.53 0.00 0.00 39.78 36.00 3cgu n ASN 321 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 3cgu s SER 322 N -4.07 3.11 -0.09 0.53 0.15 -0.90 -5.03 113.70 107.40 3cgu s SER 322 Ca 0.04 -0.58 -0.04 0.00 0.70 0.00 0.00 55.95 56.07 3cgu s SER 322 Cb -0.02 -1.43 -0.04 0.00 -1.71 0.00 0.00 66.02 62.82 3cgu s SER 322 CO 0.82 0.13 0.08 -0.69 1.20 0.00 0.00 173.24 174.78 3cgu s VAL 323 N 0.53 4.94 0.53 4.45 1.01 -1.26 -4.77 120.40 125.82 3cgu s VAL 323 Ca -0.14 -0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 3cgu s VAL 323 Cb -0.17 -3.14 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 3cgu s VAL 323 CO 0.05 0.59 1.02 0.42 0.00 0.00 0.00 175.10 177.18 3cgu s THR 324 N -0.99 4.05 0.01 3.92 -4.23 -1.26 -1.87 115.64 115.26 3cgu s THR 324 Ca 0.15 1.08 -0.13 0.00 -1.18 0.00 0.00 61.69 61.61 3cgu s THR 324 Cb -0.12 -3.51 0.02 0.00 1.34 0.00 0.00 72.50 70.23 3cgu s THR 324 CO 0.04 -0.47 0.27 -0.72 -0.54 0.00 0.00 174.62 173.20 3cgu s TYR 325 N -2.35 -0.10 -0.02 3.99 -0.85 -0.89 -4.93 117.35 112.20 3cgu s TYR 325 Ca 0.63 0.07 -0.30 0.00 -0.52 0.00 0.00 57.07 56.96 3cgu s TYR 325 Cb -0.14 0.06 -0.05 0.00 0.38 0.00 0.00 41.96 42.21 3cgu s TYR 325 CO 0.29 -0.40 1.32 -1.17 -1.52 0.00 0.00 175.55 174.06 3cgu s LEU 326 N -1.57 4.30 -0.02 -3.49 0.20 -1.26 -1.87 118.68 114.97 3cgu s LEU 326 Ca -0.11 1.98 0.00 0.00 0.69 0.00 0.00 54.13 56.70 3cgu s LEU 326 Cb -0.04 -3.56 -0.01 0.00 -0.43 0.00 0.00 46.19 42.14 3cgu s LEU 326 CO 0.01 -0.66 -0.01 1.07 -0.29 0.00 0.00 176.35 176.47 3cgu n THR 327 N 4.64 0.11 -4.01 3.68 5.66 0.38 -4.96 114.28 119.78 3cgu n THR 327 Ca 0.12 -0.04 -0.10 0.00 -3.05 0.00 0.00 64.05 60.98 3cgu n THR 327 Cb 0.45 -0.61 -0.11 0.00 -1.55 0.00 0.00 70.33 68.50 3cgu n THR 327 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3cgu s LYS 328 N -2.04 0.39 -0.01 1.09 -0.14 -1.10 -5.00 119.74 112.93 3cgu s LYS 328 Ca -0.02 -0.67 0.06 0.00 -1.36 0.00 0.00 55.97 53.97 3cgu s LYS 328 Cb 0.01 -0.01 -0.01 0.00 -1.68 0.00 0.00 37.83 36.13 3cgu s LYS 328 CO 0.04 -0.02 -0.18 0.50 -0.76 0.00 0.00 175.35 174.93 3cgu s ARG 329 N -1.58 1.45 -0.08 1.68 3.52 -1.26 0.44 118.95 123.12 3cgu s ARG 329 Ca -0.13 -0.65 -0.21 0.00 -0.13 0.00 0.00 55.73 54.60 3cgu s ARG 329 Cb -0.09 -1.40 0.05 0.00 -1.56 0.00 0.00 34.95 31.94 3cgu s ARG 329 CO -0.01 0.38 0.49 -1.83 -0.81 0.00 0.00 175.30 173.53 3cgu s GLU 330 N -0.45 0.78 0.32 5.12 -1.05 -0.38 -4.95 118.70 118.09 3cgu s GLU 330 Ca 0.07 0.22 -0.29 0.00 -0.15 0.00 0.00 54.97 54.82 3cgu s GLU 330 Cb -0.07 0.37 -0.12 0.00 -0.44 0.00 0.00 34.13 33.87 3cgu s GLU 330 CO -0.01 -0.20 1.50 -2.30 0.95 0.00 0.00 175.26 175.21 3cgu n PRO 331 N 1.58 2.56 -0.17 -4.83 -0.02 -1.26 0.90 135.00 133.75 3cgu n PRO 331 Ca -0.18 0.90 -0.03 0.00 -2.02 0.00 0.00 63.50 62.17 3cgu n PRO 331 Cb 0.56 -2.63 0.03 0.00 -0.02 0.00 0.00 33.50 31.44 3cgu n PRO 331 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3cgu h ILE 332 N 3.09 0.35 0.00 4.25 2.04 -1.71 -3.44 117.51 122.08 3cgu h ILE 332 Ca -0.48 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3cgu h ILE 332 Cb 1.24 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3cgu h ILE 332 CO 0.72 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.48 3cgu n GLY 333 N -1.41 0.00 0.32 5.37 0.00 -1.24 -4.98 105.19 103.25 3cgu n GLY 333 Ca 0.05 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 3cgu n GLY 333 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3cgu h ASN 334 N 0.00 -0.64 0.94 1.61 -1.07 -2.02 -3.37 115.58 111.02 3cgu h ASN 334 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.19 3cgu h ASN 334 Cb 0.00 0.17 -0.03 0.00 -2.07 0.00 0.00 38.32 36.39 3cgu h ASN 334 CO 0.00 -0.24 -1.14 -0.78 0.07 0.00 0.00 177.43 175.34 3cgu h ASP 335 N -1.18 0.00 -3.38 6.14 1.82 -2.03 -3.45 116.42 114.34 3cgu h ASP 335 Ca -0.08 0.00 -0.65 0.00 -0.39 0.00 0.00 57.03 55.92 3cgu h ASP 335 Cb 0.60 0.00 -0.24 0.00 0.68 0.00 0.00 39.33 40.37 3cgu h ASP 335 CO 0.13 0.75 -0.68 -0.44 -1.61 0.00 0.00 179.24 177.39 3cgu s SER 336 N -6.25 4.67 0.01 2.28 0.01 -1.26 -5.08 113.70 108.07 3cgu s SER 336 Ca -0.01 -0.22 -0.30 0.00 1.31 0.00 0.00 55.95 56.73 3cgu s SER 336 Cb 0.09 -1.78 -0.03 0.00 0.21 0.00 0.00 66.02 64.50 3cgu s SER 336 CO 0.80 0.09 0.98 -2.84 0.41 0.00 0.00 173.24 172.68 3cgu s PRO 337 N 0.84 4.56 0.00 12.44 0.02 -1.26 -3.69 135.00 147.91 3cgu s PRO 337 Ca -0.00 1.43 0.00 0.00 0.02 0.00 0.00 61.00 62.44 3cgu s PRO 337 Cb -0.14 -3.45 0.00 0.00 0.02 0.00 0.00 34.50 30.92 3cgu s PRO 337 CO 0.02 -0.04 0.00 0.41 -0.33 0.00 0.00 177.00 177.06 3cgu n GLY 338 N 2.87 -0.76 3.22 0.52 0.00 -1.26 -1.62 105.19 108.17 3cgu n GLY 338 Ca 0.06 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 3cgu n GLY 338 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cgu s TYR 339 N -2.67 1.14 -0.14 1.61 1.51 -1.11 -2.58 117.35 115.13 3cgu s TYR 339 Ca 0.00 -0.82 -0.00 0.00 -1.01 0.00 0.00 57.07 55.24 3cgu s TYR 339 Cb 0.00 -0.60 0.03 0.00 -0.11 0.00 0.00 41.96 41.28 3cgu s TYR 339 CO 0.00 0.00 -0.08 0.50 -1.11 0.00 0.00 175.55 174.86 3cgu s ARG 340 N -3.78 1.60 -0.15 -0.62 3.52 0.26 -1.90 118.95 117.88 3cgu s ARG 340 Ca 0.15 -0.39 -0.16 0.00 -0.13 0.00 0.00 55.73 55.20 3cgu s ARG 340 Cb 0.04 -1.81 -0.04 0.00 -1.56 0.00 0.00 34.95 31.57 3cgu s ARG 340 CO -0.01 -0.32 0.37 0.71 -0.81 0.00 0.00 175.30 175.24 3cgu s TYR 341 N 1.65 3.47 -0.13 5.12 1.51 0.82 -1.25 117.35 128.53 3cgu s TYR 341 Ca 0.03 0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 56.79 3cgu s TYR 341 Cb -0.14 -2.43 -0.02 0.00 -0.11 0.00 0.00 41.96 39.26 3cgu s TYR 341 CO -0.08 0.19 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.94 3cgu s LEU 342 N 0.60 2.92 0.04 -1.29 1.02 0.17 -0.17 118.68 121.97 3cgu s LEU 342 Ca 0.20 -0.24 0.08 0.00 0.02 0.00 0.00 54.13 54.20 3cgu s LEU 342 Cb -0.14 -1.67 -0.03 0.00 0.02 0.00 0.00 46.19 44.37 3cgu s LEU 342 CO 0.06 0.19 -0.23 -0.36 0.02 0.00 0.00 176.35 176.03 3cgu s PHE 343 N 0.24 2.43 0.34 0.29 0.40 -0.87 -0.47 117.98 120.35 3cgu s PHE 343 Ca -0.07 -0.34 0.03 0.00 -0.60 0.00 0.00 56.93 55.95 3cgu s PHE 343 Cb -0.15 -1.43 -0.05 0.00 0.51 0.00 0.00 43.02 41.90 3cgu s PHE 343 CO 0.04 0.17 0.08 0.00 0.70 0.00 0.00 175.22 176.22 3cgu s ALA 344 N -0.84 2.46 -0.19 5.36 0.00 -0.78 -1.15 121.76 126.61 3cgu s ALA 344 Ca 0.13 -1.78 -0.09 0.00 0.00 0.00 0.00 51.96 50.21 3cgu s ALA 344 Cb -0.10 0.73 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 3cgu s ALA 344 CO 0.03 -0.33 0.13 0.00 0.00 0.00 0.00 175.76 175.59 3cgu n SER 346 N 3.25 2.55 -4.75 0.00 3.41 -0.78 -4.88 113.62 112.41 3cgu n SER 346 Ca -0.17 1.02 -0.41 0.00 -0.26 0.00 0.00 58.87 59.05 3cgu n SER 346 Cb 0.53 -1.54 -0.02 0.00 -0.26 0.00 0.00 64.21 62.92 3cgu n SER 346 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3cgu s PRO 347 N -2.59 4.23 -0.00 4.33 0.02 -1.26 -4.68 135.00 135.05 3cgu s PRO 347 Ca 0.67 2.37 -0.20 0.00 0.02 0.00 0.00 61.00 63.86 3cgu s PRO 347 Cb -0.45 -3.07 -0.25 0.00 0.02 0.00 0.00 34.50 30.75 3cgu s PRO 347 CO 0.53 -0.45 1.07 1.37 -0.33 0.00 0.00 177.00 179.19 3cgu h LEU 348 N 4.62 0.53 -9.35 -5.54 8.10 -1.96 -3.45 115.31 108.26 3cgu h LEU 348 Ca -0.47 -0.79 -0.65 0.00 0.11 0.00 0.00 57.88 56.08 3cgu h LEU 348 Cb 1.22 -0.16 -0.14 0.00 -0.44 0.00 0.00 40.66 41.14 3cgu h LEU 348 CO 0.75 1.25 -0.71 0.28 -4.11 0.00 0.00 178.44 175.91 3cgu s THR 349 N -3.10 3.59 -0.24 0.15 -1.32 -1.26 -5.11 115.64 108.35 3cgu s THR 349 Ca -0.13 -1.22 -0.13 0.00 -1.21 0.00 0.00 61.69 59.00 3cgu s THR 349 Cb 0.03 -2.71 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 3cgu s THR 349 CO 0.83 0.08 0.30 0.00 -2.21 0.00 0.00 174.62 173.61 3cgu s ARG 350 N -2.34 4.07 0.22 7.08 1.04 -1.26 -5.04 118.95 122.73 3cgu s ARG 350 Ca 0.23 -0.05 0.02 0.00 -1.04 0.00 0.00 55.73 54.89 3cgu s ARG 350 Cb -0.11 -3.59 0.02 0.00 -2.04 0.00 0.00 34.95 29.23 3cgu s ARG 350 CO 0.16 -0.10 0.14 1.28 -0.04 0.00 0.00 175.30 176.73 3cgu n LEU 351 N 4.75 0.00 -4.77 -1.89 4.77 -1.26 -4.80 117.00 113.80 3cgu n LEU 351 Ca -0.11 -1.22 -0.40 0.00 -0.03 0.00 0.00 56.01 54.26 3cgu n LEU 351 Cb 0.51 0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 3cgu n LEU 351 CO 0.37 -0.35 0.51 -0.13 -1.33 0.00 0.00 177.39 176.45 3cgu s ARG 352 N -2.90 4.61 0.33 3.23 1.81 -1.26 0.13 118.95 124.89 3cgu s ARG 352 Ca 0.10 1.20 -0.22 0.00 -1.72 0.00 0.00 55.73 55.09 3cgu s ARG 352 Cb -0.01 -3.27 -0.10 0.00 -0.45 0.00 0.00 34.95 31.12 3cgu s ARG 352 CO 0.07 0.54 0.88 0.00 -0.68 0.00 0.00 175.30 176.10 3cgu s GLN 354 N -2.41 2.91 0.38 0.00 1.11 -1.26 -4.80 119.66 115.58 3cgu s GLN 354 Ca 0.52 -1.16 -0.25 0.00 0.01 0.00 0.00 55.36 54.48 3cgu s GLN 354 Cb -0.15 -2.64 -0.13 0.00 -1.01 0.00 0.00 33.01 29.09 3cgu s GLN 354 CO 0.20 0.08 0.79 2.89 0.01 0.00 0.00 175.29 179.26 3cgu n ARG 355 N -1.49 0.93 -0.75 2.91 1.85 -1.26 -1.23 116.66 117.61 3cgu n ARG 355 Ca -0.01 0.33 0.00 0.00 -1.00 0.00 0.00 57.85 57.17 3cgu n ARG 355 Cb 0.59 -1.70 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 3cgu n ARG 355 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3cgu n LYS 356 N 0.51 -0.28 -3.58 2.89 4.81 -1.26 -4.94 118.16 116.31 3cgu n LYS 356 Ca 0.11 0.07 -0.37 0.00 -0.87 0.00 0.00 58.31 57.24 3cgu n LYS 356 Cb 0.37 -3.87 -0.10 0.00 0.02 0.00 0.00 35.03 31.45 3cgu n LYS 356 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 3cgu s GLN 357 N -0.77 4.04 0.37 1.64 0.74 -0.36 -5.07 119.66 120.24 3cgu s GLN 357 Ca 0.00 -0.20 -0.27 0.00 0.05 0.00 0.00 55.36 54.94 3cgu s GLN 357 Cb 0.00 -3.59 -0.09 0.00 1.10 0.00 0.00 33.01 30.43 3cgu s GLN 357 CO 0.00 -0.07 1.20 -2.14 -0.55 0.00 0.00 175.29 173.74 3cgu s PRO 358 N 1.43 4.21 0.02 1.67 0.02 -1.26 -4.64 135.00 136.46 3cgu s PRO 358 Ca 0.09 1.95 0.22 0.00 0.02 0.00 0.00 61.00 63.29 3cgu s PRO 358 Cb -0.15 -2.86 -0.23 0.00 0.02 0.00 0.00 34.50 31.28 3cgu s PRO 358 CO 0.08 -0.22 0.66 0.00 -0.33 0.00 0.00 177.00 177.19 3cgu s LYS 360 N -3.42 0.35 -0.09 0.00 2.47 -1.14 -0.53 119.74 117.38 3cgu s LYS 360 Ca -0.04 0.47 0.02 0.00 -1.56 0.00 0.00 55.97 54.86 3cgu s LYS 360 Cb 0.13 0.14 0.01 0.00 -1.46 0.00 0.00 37.83 36.65 3cgu s LYS 360 CO 0.88 -0.06 -0.16 -0.51 0.16 0.00 0.00 175.35 175.65 3cgu s LEU 361 N 0.34 1.79 -0.20 5.43 1.43 -0.24 -0.79 118.68 126.44 3cgu s LEU 361 Ca -0.01 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.59 3cgu s LEU 361 Cb -0.03 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 3cgu s LEU 361 CO -0.01 0.06 0.07 -0.36 0.23 0.00 0.00 176.35 176.33 3cgu s PHE 362 N 0.73 3.21 -0.27 0.29 0.08 0.18 -1.46 117.98 120.74 3cgu s PHE 362 Ca -0.12 -0.03 -0.02 0.00 0.12 0.00 0.00 56.93 56.89 3cgu s PHE 362 Cb -0.16 -2.12 0.04 0.00 -0.57 0.00 0.00 43.02 40.21 3cgu s PHE 362 CO 0.03 0.04 -0.04 0.99 -0.10 0.00 0.00 175.22 176.14 3cgu s THR 363 N 0.66 2.92 -0.28 0.64 2.01 0.02 -1.02 115.64 120.58 3cgu s THR 363 Ca 0.03 -1.17 -0.10 0.00 0.31 0.00 0.00 61.69 60.77 3cgu s THR 363 Cb -0.13 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 3cgu s THR 363 CO 0.02 0.08 0.14 -0.69 -0.69 0.00 0.00 174.62 173.48 3cgu s VAL 364 N 1.30 4.79 -0.16 3.82 1.01 -0.57 -0.41 120.40 130.17 3cgu s VAL 364 Ca -0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 3cgu s VAL 364 Cb -0.18 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 3cgu s VAL 364 CO -0.03 0.21 -0.01 -0.13 0.00 0.00 0.00 175.10 175.14 3cgu s ARG 365 N 1.67 3.75 -0.77 2.72 0.52 0.43 -1.67 118.95 125.61 3cgu s ARG 365 Ca 0.06 -0.47 -0.24 0.00 -0.52 0.00 0.00 55.73 54.56 3cgu s ARG 365 Cb -0.16 -3.00 0.06 0.00 0.52 0.00 0.00 34.95 32.37 3cgu s ARG 365 CO 0.07 0.25 1.17 0.15 0.02 0.00 0.00 175.30 176.96 3cgu s LYS 366 N 0.37 3.26 0.18 3.54 1.02 -0.93 -1.38 119.74 125.81 3cgu s LYS 366 Ca -0.02 -0.75 -0.08 0.00 0.02 0.00 0.00 55.97 55.13 3cgu s LYS 366 Cb -0.14 -4.45 0.06 0.00 -0.52 0.00 0.00 37.83 32.78 3cgu s LYS 366 CO 0.02 -2.00 1.56 0.00 -0.92 0.00 0.00 175.35 174.02 3cgu h ARG 367 N 9.70 0.90 0.00 1.68 2.47 -1.51 -3.48 114.38 124.14 3cgu h ARG 367 Ca -0.16 -0.40 0.04 0.00 -1.26 0.00 0.00 59.98 58.19 3cgu h ARG 367 Cb 1.05 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.34 3cgu h ARG 367 CO 1.25 1.05 0.16 0.00 0.56 0.00 0.00 179.97 182.99 3cgu n GLN 368 N -4.10 0.22 -0.30 0.04 10.64 -0.89 -4.97 117.38 118.02 3cgu n GLN 368 Ca -0.00 -0.48 0.14 0.00 -1.83 0.00 0.00 57.00 54.82 3cgu n GLN 368 Cb 0.47 0.64 0.31 0.00 -0.86 0.00 0.00 30.24 30.80 3cgu n GLN 368 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 3cgu h GLU 369 N 0.00 0.24 0.00 2.61 4.81 -2.03 -2.71 114.58 117.49 3cgu h GLU 369 Ca -0.09 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 3cgu h GLU 369 Cb 0.36 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.58 3cgu h GLU 369 CO 0.11 0.16 -0.63 1.19 -0.73 0.00 0.00 179.01 179.11 3cgu n PHE 370 N -5.19 0.00 -3.60 0.92 0.99 -1.26 -4.97 117.46 104.35 3cgu n PHE 370 Ca 0.22 -1.16 -0.17 0.00 -0.00 0.00 0.00 57.45 56.33 3cgu n PHE 370 Cb 0.71 -0.21 -0.14 0.00 -1.00 0.00 0.00 39.48 38.83 3cgu n PHE 370 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 3cgu s LEU 371 N -2.25 -0.09 0.01 4.37 2.96 -1.02 -5.12 118.68 117.54 3cgu s LEU 371 Ca 0.36 0.11 0.06 0.00 -0.22 0.00 0.00 54.13 54.44 3cgu s LEU 371 Cb 0.36 0.34 -0.03 0.00 0.50 0.00 0.00 46.19 47.37 3cgu s LEU 371 CO -0.09 -0.28 -0.16 -1.81 -1.32 0.00 0.00 176.35 172.69 3cgu s ASP 372 N 2.31 3.95 -0.14 3.68 -0.00 -1.26 -1.23 116.67 123.99 3cgu s ASP 372 Ca 0.04 -0.34 0.01 0.00 -0.00 0.00 0.00 52.55 52.26 3cgu s ASP 372 Cb -0.14 -0.73 0.02 0.00 -0.00 0.00 0.00 42.92 42.08 3cgu s ASP 372 CO -0.09 0.28 -0.15 -0.70 -0.00 0.00 0.00 175.17 174.51 3cgu s GLU 373 N -1.27 2.33 -0.28 8.23 2.12 -0.48 -4.93 118.70 124.43 3cgu s GLU 373 Ca 0.14 -0.58 -0.02 0.00 0.36 0.00 0.00 54.97 54.87 3cgu s GLU 373 Cb -0.11 -2.07 0.04 0.00 0.26 0.00 0.00 34.13 32.26 3cgu s GLU 373 CO 0.05 -0.17 -0.02 0.08 -0.54 0.00 0.00 175.26 174.65 3cgu s VAL 374 N 1.29 2.96 -0.04 3.70 1.01 -1.26 -0.43 120.40 127.63 3cgu s VAL 374 Ca 0.01 -1.24 -0.23 0.00 0.00 0.00 0.00 61.98 60.52 3cgu s VAL 374 Cb -0.14 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3cgu s VAL 374 CO -0.07 0.01 0.69 0.20 0.00 0.00 0.00 175.10 175.92 3cgu s ASN 375 N 1.28 7.02 -0.25 3.32 0.01 0.45 -4.91 114.94 121.86 3cgu s ASN 375 Ca -0.03 1.22 0.03 0.00 -0.71 0.00 0.00 52.86 53.37 3cgu s ASN 375 Cb -0.19 -2.41 0.06 0.00 0.41 0.00 0.00 41.25 39.12 3cgu s ASN 375 CO -0.02 -0.05 -0.11 -0.51 -1.51 0.00 0.00 177.10 174.89 3cgu s ILE 376 N 0.46 2.11 -0.26 0.60 1.10 -1.26 -0.80 121.20 123.14 3cgu s ILE 376 Ca 0.36 -1.54 -0.11 0.00 -0.51 0.00 0.00 60.65 58.85 3cgu s ILE 376 Cb -0.18 -2.20 -0.05 0.00 0.15 0.00 0.00 42.46 40.18 3cgu s ILE 376 CO 0.19 0.02 0.19 0.20 -2.11 0.00 0.00 174.94 173.43 3cgu s ASN 377 N 1.14 6.08 -0.38 4.50 -0.87 -0.53 -4.99 114.94 119.89 3cgu s ASN 377 Ca -0.07 0.07 -0.20 0.00 -1.57 0.00 0.00 52.86 51.08 3cgu s ASN 377 Cb -0.19 -2.12 0.01 0.00 -0.02 0.00 0.00 41.25 38.92 3cgu s ASN 377 CO -0.06 -0.01 0.59 -0.55 -2.57 0.00 0.00 177.10 174.50 3cgu s SER 378 N 1.47 6.35 -0.19 -1.22 0.15 -1.26 -1.08 113.70 117.92 3cgu s SER 378 Ca 0.08 -0.10 -0.13 0.00 0.70 0.00 0.00 55.95 56.50 3cgu s SER 378 Cb -0.15 -2.30 -0.21 0.00 -1.71 0.00 0.00 66.02 61.65 3cgu s SER 378 CO 0.08 -0.62 0.16 0.18 1.20 0.00 0.00 173.24 174.24 3cgu n LEU 379 N 6.00 2.28 -4.11 3.45 4.77 0.31 -4.85 117.00 124.84 3cgu n LEU 379 Ca -0.03 0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 3cgu n LEU 379 Cb 0.48 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 3cgu n LEU 379 CO 0.49 0.60 0.03 0.00 -1.33 0.00 0.00 177.39 177.18 3cgu s GLN 381 N -3.63 3.62 0.28 0.00 2.00 0.35 -4.84 119.66 117.44 3cgu s GLN 381 Ca 0.32 -0.06 -0.30 0.00 -2.00 0.00 0.00 55.36 53.31 3cgu s GLN 381 Cb 0.02 -3.82 -0.11 0.00 0.80 0.00 0.00 33.01 29.90 3cgu s GLN 381 CO 0.16 -0.72 1.57 0.00 -0.50 0.00 0.00 175.29 175.80 3cgu n PRO 383 N 2.26 0.05 -1.60 0.00 -0.04 -1.26 -4.83 135.00 129.58 3cgu n PRO 383 Ca 0.08 0.10 -0.41 0.00 -0.04 0.00 0.00 63.50 63.22 3cgu n PRO 383 Cb 0.38 -2.42 0.01 0.00 -0.04 0.00 0.00 33.50 31.43 3cgu n PRO 383 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3cgu n LYS 384 N -3.47 1.28 -1.01 0.54 4.76 -1.26 -1.44 118.16 117.56 3cgu n LYS 384 Ca 0.13 0.46 -0.00 0.00 -2.87 0.00 0.00 58.31 56.03 3cgu n LYS 384 Cb 0.51 -2.00 -0.00 0.00 -1.84 0.00 0.00 35.03 31.70 3cgu n LYS 384 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cgu n GLY 385 N 1.23 0.47 3.14 0.72 0.00 -1.26 -5.02 105.19 104.48 3cgu n GLY 385 Ca 0.10 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 3cgu n GLY 385 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cgu s HIS 386 N -1.97 0.15 0.02 1.61 3.76 -0.52 -2.19 115.29 116.16 3cgu s HIS 386 Ca 0.00 -0.44 -0.07 0.00 -0.15 0.00 0.00 55.06 54.40 3cgu s HIS 386 Cb 0.00 -0.10 -0.00 0.00 1.11 0.00 0.00 32.58 33.59 3cgu s HIS 386 CO 0.00 -0.40 0.13 -0.98 -0.85 0.00 0.00 174.74 172.64 3cgu s ARG 387 N -2.71 0.53 -0.05 1.40 1.70 -0.41 -4.64 118.95 114.77 3cgu s ARG 387 Ca -0.04 -0.52 -0.16 0.00 -0.47 0.00 0.00 55.73 54.54 3cgu s ARG 387 Cb -0.00 0.22 -0.05 0.00 -0.57 0.00 0.00 34.95 34.54 3cgu s ARG 387 CO -0.05 -0.13 0.42 0.00 -1.08 0.00 0.00 175.30 174.46 3cgu n PRO 389 N 2.59 0.62 -0.03 0.00 -0.02 -1.26 -4.96 135.00 131.93 3cgu n PRO 389 Ca -0.11 0.26 0.04 0.00 -2.02 0.00 0.00 63.50 61.66 3cgu n PRO 389 Cb 0.52 -2.08 -0.13 0.00 -0.02 0.00 0.00 33.50 31.79 3cgu n PRO 389 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cgu n SER 390 N -0.88 1.17 -4.14 2.55 3.41 -1.26 -4.97 113.62 109.50 3cgu n SER 390 Ca 0.13 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.65 3cgu n SER 390 Cb 0.49 1.50 -0.10 0.00 -0.26 0.00 0.00 64.21 65.84 3cgu n SER 390 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3cgu s HIS 391 N -2.93 0.77 -0.60 7.33 -3.43 -1.26 -5.08 115.29 110.09 3cgu s HIS 391 Ca -0.07 -1.05 0.26 0.00 -0.80 0.00 0.00 55.06 53.40 3cgu s HIS 391 Cb 0.09 -0.48 0.82 0.00 -1.43 0.00 0.00 32.58 31.59 3cgu s HIS 391 CO 0.68 -0.32 1.75 1.12 -2.00 0.00 0.00 174.74 175.97 3cgu h HIS 392 N 2.99 0.00 -0.01 0.38 2.07 -1.99 -2.92 115.15 115.68 3cgu h HIS 392 Ca -0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.17 3cgu h HIS 392 Cb 1.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.14 3cgu h HIS 392 CO 0.53 0.00 -0.40 0.25 -3.07 0.00 0.00 177.93 175.24 3cgu n THR 393 N -2.40 0.00 -0.77 6.12 -2.24 -1.26 -4.86 114.28 108.87 3cgu n THR 393 Ca 0.04 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.42 3cgu n THR 393 Cb 0.39 0.46 0.16 0.00 -2.10 0.00 0.00 70.33 69.24 3cgu n THR 393 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3cgu s GLN 394 N -2.69 1.08 0.48 -0.78 0.74 -1.11 -4.98 119.66 112.40 3cgu s GLN 394 Ca 0.19 1.45 -0.19 0.00 0.05 0.00 0.00 55.36 56.85 3cgu s GLN 394 Cb 0.18 -1.74 -0.09 0.00 1.10 0.00 0.00 33.01 32.46 3cgu s GLN 394 CO 0.60 -2.55 0.99 -1.54 -0.55 0.00 0.00 175.29 172.24 3cgu s SER 395 N -2.78 6.63 0.00 6.67 1.04 -1.26 -3.49 113.70 120.51 3cgu s SER 395 Ca 0.66 1.73 0.00 0.00 0.48 0.00 0.00 55.95 58.82 3cgu s SER 395 Cb -0.22 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.36 3cgu s SER 395 CO 0.58 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.83 3cgu n GLY 396 N -0.79 0.67 3.09 7.32 0.00 -1.26 -4.85 105.19 109.36 3cgu n GLY 396 Ca 0.08 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 3cgu n GLY 396 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cgu s VAL 397 N -2.00 1.32 0.22 1.61 1.01 -1.23 -1.87 120.40 119.47 3cgu s VAL 397 Ca 0.00 -0.62 0.11 0.00 0.00 0.00 0.00 61.98 61.47 3cgu s VAL 397 Cb 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 3cgu s VAL 397 CO 0.00 0.39 -0.20 0.27 0.00 0.00 0.00 175.10 175.56 3cgu s ILE 398 N 0.35 2.22 0.03 2.22 -5.25 -0.86 -4.97 121.20 114.94 3cgu s ILE 398 Ca -0.10 -2.18 -0.30 0.00 -0.99 0.00 0.00 60.65 57.07 3cgu s ILE 398 Cb -0.14 -2.13 -0.05 0.00 2.95 0.00 0.00 42.46 43.09 3cgu s ILE 398 CO 0.03 -0.33 1.27 0.00 -1.79 0.00 0.00 174.94 174.12 3cgu s ALA 399 N -2.24 3.48 0.00 2.27 0.00 -1.26 -1.52 121.76 122.49 3cgu s ALA 399 Ca 0.24 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3cgu s ALA 399 Cb -0.05 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3cgu s ALA 399 CO 0.11 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.65 3cgu n GLY 400 N 3.38 0.62 3.61 0.00 0.00 0.46 -4.89 105.19 108.37 3cgu n GLY 400 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3cgu n GLY 400 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cgu s GLU 401 N 1.16 2.76 -0.65 1.61 0.41 -1.25 -4.89 118.70 117.85 3cgu s GLU 401 Ca 0.00 -0.56 0.04 0.00 -0.41 0.00 0.00 54.97 54.03 3cgu s GLU 401 Cb 0.00 -2.62 0.35 0.00 -1.78 0.00 0.00 34.13 30.08 3cgu s GLU 401 CO 0.00 0.66 1.17 0.43 -0.49 0.00 0.00 175.26 177.02 3cgu n SER 402 N 1.98 5.15 -4.55 -0.19 7.64 -1.26 -0.58 113.62 121.81 3cgu n SER 402 Ca -0.17 -3.70 -0.18 0.00 1.01 0.00 0.00 58.87 55.82 3cgu n SER 402 Cb 0.53 -0.67 -0.08 0.00 -1.01 0.00 0.00 64.21 62.98 3cgu n SER 402 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3cgu n PHE 403 N -0.26 1.10 0.23 1.43 -0.00 -1.14 -4.80 117.46 114.02 3cgu n PHE 403 Ca 0.36 0.02 0.09 0.00 -0.00 0.00 0.00 57.45 57.91 3cgu n PHE 403 Cb 0.40 -2.43 0.56 0.00 -0.00 0.00 0.00 39.48 38.01 3cgu n PHE 403 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3cgu h LEU 404 N 20.88 0.00 -0.33 -2.13 4.07 -1.96 -2.54 115.31 133.31 3cgu h LEU 404 Ca -0.04 0.00 0.07 0.00 0.08 0.00 0.00 57.88 57.99 3cgu h LEU 404 Cb 1.07 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.74 3cgu h LEU 404 CO 1.09 0.21 -0.09 -0.08 -1.08 0.00 0.00 178.44 178.49 3cgu h GLU 405 N 0.00 -0.02 -0.27 1.13 4.22 -1.92 -1.36 114.58 116.36 3cgu h GLU 405 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3cgu h GLU 405 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3cgu h GLU 405 CO 0.03 -0.01 0.00 -0.25 -2.18 0.00 0.00 179.01 176.60 3cgu n ASP 406 N -5.28 1.80 -3.62 1.04 10.43 -1.22 -4.91 116.55 114.79 3cgu n ASP 406 Ca 0.01 -1.86 -0.24 0.00 2.57 0.00 0.00 54.79 55.26 3cgu n ASP 406 Cb 0.20 -0.18 0.08 0.00 1.84 0.00 0.00 41.12 43.06 3cgu n ASP 406 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3cgu n ASN 407 N 0.44 -6.25 -4.59 -2.24 2.85 -0.51 -4.80 115.26 100.15 3cgu n ASN 407 Ca 0.14 -0.56 -0.27 0.00 -0.11 0.00 0.00 54.58 53.78 3cgu n ASN 407 Cb 0.32 -4.97 -0.09 0.00 1.24 0.00 0.00 39.78 36.28 3cgu n ASN 407 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 3cgu s ILE 408 N -3.32 3.35 -0.06 -1.44 -4.36 -0.96 -2.19 121.20 112.22 3cgu s ILE 408 Ca 0.59 -1.52 -0.03 0.00 -0.26 0.00 0.00 60.65 59.43 3cgu s ILE 408 Cb -0.26 -2.65 0.04 0.00 1.25 0.00 0.00 42.46 40.84 3cgu s ILE 408 CO 0.74 -0.07 0.12 -1.58 0.24 0.00 0.00 174.94 174.39 3cgu s GLN 409 N -2.73 -0.00 0.04 0.37 2.00 -0.67 -2.88 119.66 115.79 3cgu s GLN 409 Ca 0.25 0.45 0.00 0.00 -2.00 0.00 0.00 55.36 54.06 3cgu s GLN 409 Cb -0.09 -0.33 -0.04 0.00 0.80 0.00 0.00 33.01 33.35 3cgu s GLN 409 CO 0.16 -0.28 0.15 0.95 -0.50 0.00 0.00 175.29 175.77 3cgu s THR 410 N 1.99 5.09 -0.02 -0.34 -4.23 0.26 -1.52 115.64 116.88 3cgu s THR 410 Ca 0.01 -0.44 0.02 0.00 -1.18 0.00 0.00 61.69 60.09 3cgu s THR 410 Cb -0.12 -3.43 0.01 0.00 1.34 0.00 0.00 72.50 70.29 3cgu s THR 410 CO -0.05 0.20 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.87 3cgu s TYR 411 N -1.40 0.60 -0.09 3.99 1.51 -0.19 -0.40 117.35 121.37 3cgu s TYR 411 Ca 0.30 -0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 56.23 3cgu s TYR 411 Cb -0.13 -0.45 -0.03 0.00 -0.11 0.00 0.00 41.96 41.24 3cgu s TYR 411 CO 0.23 -0.07 -0.04 -1.12 -1.11 0.00 0.00 175.55 173.44 3cgu s SER 412 N 0.25 4.90 -0.01 2.29 0.01 -0.57 -0.65 113.70 119.91 3cgu s SER 412 Ca -0.03 0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.31 3cgu s SER 412 Cb -0.07 -1.37 -0.03 0.00 0.21 0.00 0.00 66.02 64.77 3cgu s SER 412 CO -0.00 0.34 -0.13 -0.83 0.41 0.00 0.00 173.24 173.03 3cgu s GLY 413 N -0.69 1.61 0.22 3.44 0.00 0.03 -2.03 107.32 109.89 3cgu s GLY 413 Ca 0.11 -1.05 0.09 0.00 0.00 0.00 0.00 44.72 43.87 3cgu s GLY 413 CO 0.02 -0.89 -0.18 -0.19 0.00 0.00 0.00 173.10 171.86 3cgu s TYR 414 N -0.86 1.95 0.19 1.90 2.02 -0.78 -1.24 117.35 120.53 3cgu s TYR 414 Ca 0.14 -0.46 -0.32 0.00 -0.37 0.00 0.00 57.07 56.06 3cgu s TYR 414 Cb -0.11 -0.90 -0.11 0.00 -0.40 0.00 0.00 41.96 40.44 3cgu s TYR 414 CO 0.04 0.47 1.62 0.00 -1.57 0.00 0.00 175.55 176.10 3cgu s MET 416 N 1.06 1.95 0.04 0.00 1.75 -0.10 -4.90 119.30 119.09 3cgu s MET 416 Ca 0.71 -1.06 -0.34 0.00 -1.25 0.00 0.00 55.69 53.75 3cgu s MET 416 Cb -0.46 -2.14 -0.13 0.00 2.84 0.00 0.00 34.83 34.94 3cgu s MET 416 CO 0.32 0.52 1.71 0.00 -0.65 0.00 0.00 175.02 176.92 3cgu n ALA 417 N 1.34 1.07 -1.72 4.11 0.00 -1.26 -1.28 120.51 122.76 3cgu n ALA 417 Ca -0.16 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 3cgu n ALA 417 Cb 0.52 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3cgu n ALA 417 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3cgu n ASN 418 N 4.90 2.99 0.00 0.00 5.15 -0.93 -4.85 115.26 122.52 3cgu n ASN 418 Ca 0.20 1.17 0.00 0.00 -0.60 0.00 0.00 54.58 55.35 3cgu n ASN 418 Cb 0.29 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.00 3cgu n ASN 418 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13