#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k48 s HIS 106 N 0.00 3.02 0.31 5.64 3.76 -1.26 -4.99 115.29 121.77 3k48 s HIS 106 Ca 0.00 0.75 -0.29 0.00 -0.15 0.00 0.00 55.06 55.37 3k48 s HIS 106 Cb 0.00 -3.79 -0.11 0.00 1.11 0.00 0.00 32.58 29.80 3k48 s HIS 106 CO 0.00 -2.89 1.45 -1.12 -0.85 0.00 0.00 174.74 171.33 3k48 s SER 107 N 1.42 6.55 0.01 1.40 0.01 -1.26 -4.79 113.70 117.04 3k48 s SER 107 Ca 0.67 2.82 -0.12 0.00 1.31 0.00 0.00 55.95 60.63 3k48 s SER 107 Cb -0.38 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.22 3k48 s SER 107 CO 0.30 -0.75 0.26 0.68 0.41 0.00 0.00 173.24 174.14 3k48 s VAL 108 N -0.54 0.08 -0.17 3.43 -7.23 -0.97 -1.10 120.40 113.90 3k48 s VAL 108 Ca 0.56 -0.65 -0.10 0.00 -1.81 0.00 0.00 61.98 59.98 3k48 s VAL 108 Cb -0.44 -0.73 0.05 0.00 0.56 0.00 0.00 36.38 35.82 3k48 s VAL 108 CO 0.51 -0.36 0.41 -0.22 -0.31 0.00 0.00 175.10 175.14 3k48 s LEU 109 N -1.68 0.03 -0.07 1.32 2.96 -0.91 -1.37 118.68 118.96 3k48 s LEU 109 Ca -0.10 0.87 -0.01 0.00 -0.22 0.00 0.00 54.13 54.67 3k48 s LEU 109 Cb -0.04 1.36 0.03 0.00 0.50 0.00 0.00 46.19 48.04 3k48 s LEU 109 CO 0.00 -0.18 0.00 -2.28 -1.32 0.00 0.00 176.35 172.57 3k48 s HIS 110 N 1.13 0.65 0.06 5.38 5.65 -0.76 -0.87 115.29 126.54 3k48 s HIS 110 Ca -0.07 -0.16 0.08 0.00 0.25 0.00 0.00 55.06 55.16 3k48 s HIS 110 Cb -0.07 -0.79 -0.03 0.00 -1.18 0.00 0.00 32.58 30.50 3k48 s HIS 110 CO -0.10 -0.33 -0.20 -0.51 -0.65 0.00 0.00 174.74 172.96 3k48 s LEU 111 N 1.98 2.53 0.24 8.88 1.43 0.15 -0.55 118.68 133.33 3k48 s LEU 111 Ca 0.05 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 3k48 s LEU 111 Cb -0.12 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 3k48 s LEU 111 CO -0.05 0.24 -0.06 0.68 0.23 0.00 0.00 176.35 177.38 3k48 s VAL 112 N -0.95 1.41 0.11 -1.59 -7.23 -0.39 -2.43 120.40 109.32 3k48 s VAL 112 Ca 0.15 -2.10 -0.29 0.00 -1.81 0.00 0.00 61.98 57.92 3k48 s VAL 112 Cb -0.10 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.50 3k48 s VAL 112 CO 0.06 -0.41 0.94 -2.84 -0.31 0.00 0.00 175.10 172.53 3k48 s PRO 113 N -3.76 4.68 -0.16 4.82 0.02 -1.26 -1.30 135.00 138.04 3k48 s PRO 113 Ca 0.26 1.41 0.16 0.00 0.02 0.00 0.00 61.00 62.86 3k48 s PRO 113 Cb 0.03 -3.37 -0.23 0.00 0.02 0.00 0.00 34.50 30.95 3k48 s PRO 113 CO 0.09 0.23 0.10 1.55 -0.33 0.00 0.00 177.00 178.64 3k48 n VAL 114 N 2.74 1.10 -3.61 3.83 3.14 -0.62 -4.88 118.33 120.02 3k48 n VAL 114 Ca 0.02 -0.73 -0.16 0.00 -2.96 0.00 0.00 64.34 60.51 3k48 n VAL 114 Cb 0.49 -0.45 -0.07 0.00 -1.06 0.00 0.00 33.84 32.75 3k48 n VAL 114 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 3k48 s ASN 115 N -5.11 -0.47 -0.06 6.55 3.84 -1.19 -5.03 114.94 113.47 3k48 s ASN 115 Ca -0.09 0.43 0.03 0.00 0.21 0.00 0.00 52.86 53.45 3k48 s ASN 115 Cb 0.06 0.45 -0.02 0.00 -0.55 0.00 0.00 41.25 41.19 3k48 s ASN 115 CO 0.75 -0.56 -0.16 -0.51 -2.79 0.00 0.00 177.10 173.82 3k48 s ILE 116 N -1.37 2.87 -0.01 -5.21 2.07 -1.26 -1.60 121.20 116.67 3k48 s ILE 116 Ca -0.11 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.35 3k48 s ILE 116 Cb -0.02 -2.12 0.02 0.00 0.13 0.00 0.00 42.46 40.46 3k48 s ILE 116 CO 0.07 0.57 0.01 0.28 -1.91 0.00 0.00 174.94 173.96 3k48 s THR 117 N -0.44 0.05 -0.27 4.00 -1.32 -0.57 -4.96 115.64 112.13 3k48 s THR 117 Ca 0.05 0.08 -0.00 0.00 -1.21 0.00 0.00 61.69 60.61 3k48 s THR 117 Cb -0.12 -0.12 0.14 0.00 -1.51 0.00 0.00 72.50 70.90 3k48 s THR 117 CO 0.02 0.07 0.35 -0.55 -2.21 0.00 0.00 174.62 172.30 3k48 s SER 118 N 0.59 0.88 0.04 8.08 0.15 -1.26 -0.58 113.70 121.61 3k48 s SER 118 Ca -0.05 -0.36 -0.31 0.00 0.70 0.00 0.00 55.95 55.93 3k48 s SER 118 Cb -0.08 0.84 -0.07 0.00 -1.71 0.00 0.00 66.02 65.00 3k48 s SER 118 CO -0.01 -0.35 1.53 -0.54 1.20 0.00 0.00 173.24 175.06 3k48 s LYS 119 N 2.46 4.24 0.83 5.44 1.02 -1.26 -4.86 119.74 127.62 3k48 s LYS 119 Ca 0.10 2.16 -0.13 0.00 0.02 0.00 0.00 55.97 58.12 3k48 s LYS 119 Cb -0.14 -3.56 0.07 0.00 -0.52 0.00 0.00 37.83 33.69 3k48 s LYS 119 CO -0.26 -0.65 1.03 0.00 -0.92 0.00 0.00 175.35 174.54 3k48 n ALA 120 N 5.39 -0.62 -3.44 5.17 0.00 -1.26 -3.37 120.51 122.37 3k48 n ALA 120 Ca 0.14 -0.39 -0.20 0.00 0.00 0.00 0.00 53.44 52.99 3k48 n ALA 120 Cb 0.42 -2.14 0.07 0.00 0.00 0.00 0.00 19.45 17.80 3k48 n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3k48 n ASP 121 N -2.87 -5.15 -3.61 0.00 2.03 -1.26 -5.02 116.55 100.67 3k48 n ASP 121 Ca 0.12 -0.50 -0.16 0.00 0.52 0.00 0.00 54.79 54.77 3k48 n ASP 121 Cb 0.51 -4.58 -0.07 0.00 -0.72 0.00 0.00 41.12 36.26 3k48 n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3k48 s SER 122 N -3.47 -0.49 -0.50 1.67 1.04 -1.22 -5.06 113.70 105.67 3k48 s SER 122 Ca 0.42 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.33 3k48 s SER 122 Cb -0.19 0.46 0.45 0.00 0.10 0.00 0.00 66.02 66.84 3k48 s SER 122 CO 0.65 -0.56 1.94 0.47 0.98 0.00 0.00 173.24 176.72 3k48 n ASP 123 N 1.01 6.00 -4.05 7.02 8.00 -1.26 -4.23 116.55 129.04 3k48 n ASP 123 Ca -0.20 -3.50 -0.17 0.00 0.71 0.00 0.00 54.79 51.64 3k48 n ASP 123 Cb 0.57 -0.92 -0.13 0.00 -0.02 0.00 0.00 41.12 40.61 3k48 n ASP 123 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3k48 s VAL 124 N -3.61 0.70 -0.02 2.53 1.01 -1.20 -1.95 120.40 117.87 3k48 s VAL 124 Ca 0.52 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3k48 s VAL 124 Cb 0.42 -0.66 -0.00 0.00 0.00 0.00 0.00 36.38 36.14 3k48 s VAL 124 CO 0.03 -0.05 -0.09 -0.89 0.00 0.00 0.00 175.10 174.09 3k48 s THR 125 N -0.72 0.80 0.33 3.92 2.01 -0.36 -4.37 115.64 117.25 3k48 s THR 125 Ca -0.01 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.63 3k48 s THR 125 Cb -0.06 -0.69 -0.06 0.00 0.01 0.00 0.00 72.50 71.70 3k48 s THR 125 CO 0.00 0.24 0.07 -1.61 -0.69 0.00 0.00 174.62 172.63 3k48 s GLU 126 N 0.05 1.68 -0.10 4.92 2.02 0.25 -0.80 118.70 126.72 3k48 s GLU 126 Ca -0.01 -1.94 0.03 0.00 0.02 0.00 0.00 54.97 53.07 3k48 s GLU 126 Cb -0.07 -0.80 0.01 0.00 0.10 0.00 0.00 34.13 33.37 3k48 s GLU 126 CO 0.00 -0.24 -0.20 0.08 0.02 0.00 0.00 175.26 174.92 3k48 s VAL 127 N -3.32 1.81 -0.04 2.63 1.01 -1.26 -1.51 120.40 119.73 3k48 s VAL 127 Ca 0.35 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 61.19 3k48 s VAL 127 Cb 0.08 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3k48 s VAL 127 CO 0.15 0.50 0.89 -0.04 0.00 0.00 0.00 175.10 176.61 3k48 s MET 128 N 0.58 4.49 0.24 2.72 1.00 -0.63 -4.15 119.30 123.55 3k48 s MET 128 Ca -0.14 1.23 0.07 0.00 0.00 0.00 0.00 55.69 56.85 3k48 s MET 128 Cb -0.17 -3.47 -0.04 0.00 0.00 0.00 0.00 34.83 31.15 3k48 s MET 128 CO 0.04 -0.07 0.19 -1.58 0.00 0.00 0.00 175.02 173.60 3k48 s TRP 129 N 1.15 3.11 -0.14 -0.03 0.52 -0.00 -1.60 118.94 121.94 3k48 s TRP 129 Ca 0.46 -0.10 -0.08 0.00 0.02 0.00 0.00 56.10 56.40 3k48 s TRP 129 Cb -0.19 -1.41 0.05 0.00 -1.15 0.00 0.00 33.47 30.77 3k48 s TRP 129 CO 0.23 0.52 0.35 -1.14 0.02 0.00 0.00 176.95 176.93 3k48 s GLN 130 N -3.76 0.33 0.42 4.98 0.74 -0.42 -4.51 119.66 117.44 3k48 s GLN 130 Ca 0.33 0.68 -0.25 0.00 0.05 0.00 0.00 55.36 56.16 3k48 s GLN 130 Cb -0.08 -0.05 -0.08 0.00 1.10 0.00 0.00 33.01 33.90 3k48 s GLN 130 CO 0.25 -0.15 1.26 -1.25 -0.55 0.00 0.00 175.29 174.84 3k48 s PRO 131 N 1.27 3.90 0.00 1.67 0.04 -1.26 -1.27 135.00 139.36 3k48 s PRO 131 Ca -0.09 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.03 3k48 s PRO 131 Cb -0.09 -2.66 -0.01 0.00 0.04 0.00 0.00 34.50 31.78 3k48 s PRO 131 CO -0.10 -0.51 0.34 1.33 0.04 0.00 0.00 177.00 178.10 3k48 n VAL 132 N -0.04 0.00 -3.73 -0.36 0.24 0.29 -4.88 118.33 109.85 3k48 n VAL 132 Ca 0.05 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.34 61.79 3k48 n VAL 132 Cb 0.45 1.03 -0.12 0.00 -1.47 0.00 0.00 33.84 33.73 3k48 n VAL 132 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3k48 s LEU 133 N -1.53 0.38 0.00 1.34 2.96 -1.15 -5.00 118.68 115.67 3k48 s LEU 133 Ca 0.03 0.60 0.01 0.00 -0.22 0.00 0.00 54.13 54.54 3k48 s LEU 133 Cb 0.03 0.88 -0.00 0.00 0.50 0.00 0.00 46.19 47.60 3k48 s LEU 133 CO 0.12 -0.16 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.37 3k48 s ARG 134 N 1.15 0.15 -0.04 1.98 3.52 -1.26 -1.82 118.95 122.62 3k48 s ARG 134 Ca -0.08 -0.10 -0.11 0.00 -0.13 0.00 0.00 55.73 55.31 3k48 s ARG 134 Cb -0.09 -0.12 0.02 0.00 -1.56 0.00 0.00 34.95 33.20 3k48 s ARG 134 CO -0.08 0.03 0.25 0.50 -0.81 0.00 0.00 175.30 175.19 3k48 s ARG 135 N -0.13 0.48 0.52 5.12 3.52 -0.47 -4.97 118.95 123.02 3k48 s ARG 135 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.57 3k48 s ARG 135 Cb -0.01 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.59 3k48 s ARG 135 CO -0.00 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.79 3k48 n GLY 136 N 1.98 -1.89 1.14 8.12 0.00 -1.26 -2.29 105.19 110.99 3k48 n GLY 136 Ca -0.18 -1.26 0.04 0.00 0.00 0.00 0.00 46.02 44.62 3k48 n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k48 n ARG 137 N -2.70 0.47 0.22 1.61 1.74 -1.26 -4.84 116.66 111.90 3k48 n ARG 137 Ca 0.00 -2.30 0.12 0.00 -0.77 0.00 0.00 57.85 54.90 3k48 n ARG 137 Cb 0.33 -0.52 0.23 0.00 -1.02 0.00 0.00 32.46 31.48 3k48 n ARG 137 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3k48 h GLY 138 N 0.89 0.00 -5.37 -0.13 0.00 -1.96 -3.46 103.07 93.04 3k48 h GLY 138 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.87 3k48 h GLY 138 CO 0.06 0.00 -0.75 1.08 0.00 0.00 0.00 176.54 176.93 3k48 s LEU 139 N -6.26 2.01 -0.03 3.11 1.43 -1.26 -0.80 118.68 116.88 3k48 s LEU 139 Ca 0.06 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 3k48 s LEU 139 Cb 0.06 -0.25 0.01 0.00 0.03 0.00 0.00 46.19 46.04 3k48 s LEU 139 CO 0.66 0.06 -0.05 -0.70 0.23 0.00 0.00 176.35 176.55 3k48 s GLU 140 N -0.12 0.69 0.22 1.70 2.12 -1.02 -5.00 118.70 117.29 3k48 s GLU 140 Ca 0.02 -0.14 -0.28 0.00 0.36 0.00 0.00 54.97 54.93 3k48 s GLU 140 Cb -0.02 -0.70 -0.09 0.00 0.26 0.00 0.00 34.13 33.58 3k48 s GLU 140 CO -0.00 -0.01 0.88 0.00 -0.54 0.00 0.00 175.26 175.59 3k48 s ALA 141 N 0.56 3.37 -0.43 6.30 0.00 -1.26 -1.02 121.76 129.28 3k48 s ALA 141 Ca -0.07 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.45 3k48 s ALA 141 Cb -0.11 -3.11 0.19 0.00 0.00 0.00 0.00 23.12 20.10 3k48 s ALA 141 CO -0.00 0.24 0.41 0.94 0.00 0.00 0.00 175.76 177.35 3k48 n GLN 142 N 1.46 0.50 0.00 0.00 -0.06 0.07 -4.94 117.38 114.40 3k48 n GLN 142 Ca -0.03 -3.31 0.00 0.00 -2.00 0.00 0.00 57.00 51.66 3k48 n GLN 142 Cb 0.48 -1.59 0.00 0.00 -4.06 0.00 0.00 30.24 25.06 3k48 n GLN 142 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3k48 n GLY 143 N 2.32 2.22 0.01 1.69 0.00 -1.26 -2.89 105.19 107.28 3k48 n GLY 143 Ca 0.27 0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.68 3k48 n GLY 143 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k48 n ASP 144 N 10.90 0.09 -4.42 1.61 5.75 -1.26 -0.82 116.55 128.39 3k48 n ASP 144 Ca 0.00 0.18 -0.24 0.00 -0.01 0.00 0.00 54.79 54.71 3k48 n ASP 144 Cb 0.00 -0.34 -0.10 0.00 -1.03 0.00 0.00 41.12 39.65 3k48 n ASP 144 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3k48 s ILE 145 N -2.85 1.13 -0.16 2.12 -5.25 -1.14 -4.60 121.20 110.45 3k48 s ILE 145 Ca 0.19 -2.00 -0.03 0.00 -0.99 0.00 0.00 60.65 57.82 3k48 s ILE 145 Cb 0.19 -2.65 0.05 0.00 2.95 0.00 0.00 42.46 43.01 3k48 s ILE 145 CO 0.52 0.00 0.04 -0.69 -1.79 0.00 0.00 174.94 173.02 3k48 s VAL 146 N -3.17 0.40 -0.11 8.37 1.01 -0.88 -0.75 120.40 125.27 3k48 s VAL 146 Ca 0.30 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 3k48 s VAL 146 Cb 0.07 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3k48 s VAL 146 CO 0.14 -0.11 0.69 -0.13 0.00 0.00 0.00 175.10 175.69 3k48 s ARG 147 N 1.93 4.36 0.21 2.72 0.52 -0.19 -1.63 118.95 126.87 3k48 s ARG 147 Ca 0.01 0.81 -0.28 0.00 -0.52 0.00 0.00 55.73 55.76 3k48 s ARG 147 Cb -0.16 -3.49 -0.09 0.00 0.52 0.00 0.00 34.95 31.73 3k48 s ARG 147 CO -0.07 -0.05 0.87 0.08 0.02 0.00 0.00 175.30 176.15 3k48 s VAL 148 N 1.20 4.21 -0.00 3.52 1.01 -0.13 -2.44 120.40 127.78 3k48 s VAL 148 Ca 0.35 1.89 0.00 0.00 0.00 0.00 0.00 61.98 64.22 3k48 s VAL 148 Cb -0.17 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 3k48 s VAL 148 CO 0.15 0.48 -0.00 0.79 0.00 0.00 0.00 175.10 176.52 3k48 n TRP 149 N 1.45 0.00 -3.76 5.22 7.02 0.02 -0.62 117.44 126.77 3k48 n TRP 149 Ca -0.03 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.08 3k48 n TRP 149 Cb 0.48 -0.02 -0.12 0.00 -2.42 0.00 0.00 31.31 29.24 3k48 n TRP 149 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3k48 s ASP 150 N -3.86 5.43 0.42 -0.99 1.11 -1.22 -4.60 116.67 112.96 3k48 s ASP 150 Ca -0.00 -0.11 -0.26 0.00 0.18 0.00 0.00 52.55 52.35 3k48 s ASP 150 Cb 0.00 -1.98 -0.09 0.00 1.07 0.00 0.00 42.92 41.93 3k48 s ASP 150 CO 0.01 -0.00 1.35 -0.89 1.18 0.00 0.00 175.17 176.82 3k48 s THR 151 N 1.44 2.42 -3.68 -1.27 2.01 -1.26 -4.61 115.64 110.69 3k48 s THR 151 Ca 0.06 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.44 3k48 s THR 151 Cb -0.15 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.14 3k48 s THR 151 CO 0.05 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 3k48 n GLY 152 N 0.63 -1.58 3.75 4.40 0.00 -0.68 -4.97 105.19 106.74 3k48 n GLY 152 Ca 0.04 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 3k48 n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k48 s ILE 153 N -2.79 5.37 -0.04 -0.61 -1.09 -1.26 -0.56 121.20 120.22 3k48 s ILE 153 Ca 0.00 0.34 0.03 0.00 -2.23 0.00 0.00 60.65 58.79 3k48 s ILE 153 Cb 0.00 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.35 3k48 s ILE 153 CO 0.00 0.45 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.73 3k48 s TYR 154 N 0.19 1.28 -0.05 3.97 1.51 0.25 -0.98 117.35 123.51 3k48 s TYR 154 Ca 0.12 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 3k48 s TYR 154 Cb -0.12 -0.90 -0.03 0.00 -0.11 0.00 0.00 41.96 40.80 3k48 s TYR 154 CO 0.01 -0.15 1.16 -1.17 -1.11 0.00 0.00 175.55 174.29 3k48 s LEU 155 N 0.21 4.29 -0.10 -1.29 2.96 0.87 -1.05 118.68 124.56 3k48 s LEU 155 Ca -0.05 1.78 0.03 0.00 -0.22 0.00 0.00 54.13 55.68 3k48 s LEU 155 Cb -0.11 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.02 3k48 s LEU 155 CO 0.01 -0.53 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.53 3k48 s LEU 156 N 1.99 2.21 0.09 -0.68 1.02 -0.50 -0.81 118.68 122.01 3k48 s LEU 156 Ca 0.55 -0.51 0.03 0.00 0.02 0.00 0.00 54.13 54.21 3k48 s LEU 156 Cb -0.24 -1.45 -0.04 0.00 0.02 0.00 0.00 46.19 44.49 3k48 s LEU 156 CO 0.22 0.16 -0.09 -0.72 0.02 0.00 0.00 176.35 175.95 3k48 s TYR 157 N 0.32 0.97 -0.26 0.29 1.13 -0.12 -1.48 117.35 118.20 3k48 s TYR 157 Ca -0.17 -0.73 -0.14 0.00 -1.41 0.00 0.00 57.07 54.62 3k48 s TYR 157 Cb -0.17 -0.54 0.08 0.00 -1.10 0.00 0.00 41.96 40.23 3k48 s TYR 157 CO 0.08 -0.06 0.62 0.45 -2.51 0.00 0.00 175.55 174.14 3k48 s SER 158 N -2.59 -0.87 -0.03 -0.18 0.15 -0.78 -0.46 113.70 108.95 3k48 s SER 158 Ca 0.06 1.39 0.03 0.00 0.70 0.00 0.00 55.95 58.14 3k48 s SER 158 Cb -0.01 1.36 -0.00 0.00 -1.71 0.00 0.00 66.02 65.66 3k48 s SER 158 CO -0.02 -0.23 -0.13 -1.58 1.20 0.00 0.00 173.24 172.49 3k48 s GLN 159 N 1.75 1.22 -0.04 5.44 0.74 0.73 -2.37 119.66 127.14 3k48 s GLN 159 Ca -0.09 -0.44 0.04 0.00 0.05 0.00 0.00 55.36 54.92 3k48 s GLN 159 Cb -0.07 -1.12 -0.00 0.00 1.10 0.00 0.00 33.01 32.92 3k48 s GLN 159 CO -0.18 0.20 -0.16 0.08 -0.55 0.00 0.00 175.29 174.68 3k48 s VAL 160 N 0.01 1.35 -0.27 1.34 1.01 -1.02 0.29 120.40 123.11 3k48 s VAL 160 Ca -0.01 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 3k48 s VAL 160 Cb -0.08 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3k48 s VAL 160 CO 0.01 0.39 0.13 -0.22 0.00 0.00 0.00 175.10 175.41 3k48 s LEU 161 N 0.09 3.79 0.20 3.92 2.96 -1.20 -1.50 118.68 126.94 3k48 s LEU 161 Ca -0.04 -0.20 0.07 0.00 -0.22 0.00 0.00 54.13 53.74 3k48 s LEU 161 Cb -0.11 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 3k48 s LEU 161 CO 0.02 -0.07 0.04 -0.36 -1.32 0.00 0.00 176.35 174.66 3k48 s PHE 162 N 1.67 2.88 0.00 5.38 0.40 -0.06 -0.56 117.98 127.70 3k48 s PHE 162 Ca 0.06 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 3k48 s PHE 162 Cb -0.16 -1.36 0.00 0.00 0.51 0.00 0.00 43.02 42.01 3k48 s PHE 162 CO 0.07 0.54 0.42 1.58 0.70 0.00 0.00 175.22 178.53 3k48 n HIS 163 N -0.40 0.00 -1.16 0.36 -0.00 -0.92 -2.20 115.22 110.90 3k48 n HIS 163 Ca -0.09 -0.08 -0.35 0.00 0.46 0.00 0.00 57.72 57.67 3k48 n HIS 163 Cb 0.56 -0.01 0.10 0.00 -0.12 0.00 0.00 29.99 30.52 3k48 n HIS 163 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3k48 n ASP 164 N -0.08 -0.13 -0.70 0.26 9.92 -1.26 -4.74 116.55 119.82 3k48 n ASP 164 Ca 0.00 0.57 0.09 0.00 -0.53 0.00 0.00 54.79 54.92 3k48 n ASP 164 Cb 0.32 -1.37 0.07 0.00 -0.64 0.00 0.00 41.12 39.50 3k48 n ASP 164 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 3k48 n VAL 165 N -2.92 0.00 -2.67 2.53 3.14 -1.26 -4.82 118.33 112.33 3k48 n VAL 165 Ca 0.11 -0.49 -0.42 0.00 -2.96 0.00 0.00 64.34 60.59 3k48 n VAL 165 Cb 0.50 1.36 -0.03 0.00 -1.06 0.00 0.00 33.84 34.62 3k48 n VAL 165 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 3k48 s THR 166 N -1.53 3.98 0.00 1.55 -1.32 -1.26 -4.54 115.64 112.52 3k48 s THR 166 Ca 0.21 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 3k48 s THR 166 Cb 0.15 -4.84 0.00 0.00 -1.51 0.00 0.00 72.50 66.29 3k48 s THR 166 CO 0.24 -1.71 0.00 2.22 -2.21 0.00 0.00 174.62 173.15 3k48 n PHE 167 N 8.66 0.00 -3.65 9.09 1.16 -1.26 -4.42 117.46 127.04 3k48 n PHE 167 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.59 3k48 n PHE 167 Cb 0.48 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.30 3k48 n PHE 167 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 3k48 s THR 168 N 0.00 -0.85 0.25 1.97 -1.32 -1.26 -0.29 115.64 114.13 3k48 s THR 168 Ca 0.00 0.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.52 3k48 s THR 168 Cb 0.00 -0.98 0.02 0.00 -1.51 0.00 0.00 72.50 70.04 3k48 s THR 168 CO 0.00 0.00 0.21 0.23 -2.21 0.00 0.00 174.62 172.85 3k48 n MET 169 N 5.31 1.09 -1.98 7.08 2.00 0.36 -4.89 117.12 126.09 3k48 n MET 169 Ca -0.13 -1.50 0.00 0.00 0.00 0.00 0.00 57.70 56.07 3k48 n MET 169 Cb 0.50 0.13 0.00 0.00 0.00 0.00 0.00 33.22 33.85 3k48 n MET 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3k48 n GLY 170 N 2.04 -0.26 3.13 3.03 0.00 -1.26 -0.30 105.19 111.57 3k48 n GLY 170 Ca 0.00 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 3k48 n GLY 170 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k48 s GLN 171 N -1.95 0.64 -0.21 1.61 0.00 -0.68 -4.34 119.66 114.72 3k48 s GLN 171 Ca 0.00 -0.84 0.02 0.00 -0.00 0.00 0.00 55.36 54.54 3k48 s GLN 171 Cb 0.00 0.25 0.04 0.00 0.00 0.00 0.00 33.01 33.30 3k48 s GLN 171 CO 0.00 -0.17 -0.14 0.08 0.00 0.00 0.00 175.29 175.06 3k48 s VAL 172 N -2.98 1.96 -0.24 3.63 1.01 0.68 -2.21 120.40 122.25 3k48 s VAL 172 Ca -0.02 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.68 3k48 s VAL 172 Cb 0.01 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 3k48 s VAL 172 CO -0.06 0.26 0.25 -0.69 0.00 0.00 0.00 175.10 174.86 3k48 s VAL 173 N 1.27 5.29 0.10 2.92 1.01 -0.66 -1.52 120.40 128.81 3k48 s VAL 173 Ca -0.01 0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.37 3k48 s VAL 173 Cb -0.16 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 3k48 s VAL 173 CO -0.09 0.29 -0.12 -0.44 0.00 0.00 0.00 175.10 174.74 3k48 s SER 174 N 1.20 1.65 -0.02 3.32 0.01 -0.51 -0.34 113.70 119.01 3k48 s SER 174 Ca 0.11 -0.76 0.05 0.00 1.31 0.00 0.00 55.95 56.67 3k48 s SER 174 Cb -0.14 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 3k48 s SER 174 CO 0.07 -0.18 -0.18 0.00 0.41 0.00 0.00 173.24 173.36 3k48 s ARG 175 N -2.47 2.31 -0.08 12.44 1.70 -0.37 -1.79 118.95 130.70 3k48 s ARG 175 Ca 0.04 -0.82 0.01 0.00 -0.47 0.00 0.00 55.73 54.50 3k48 s ARG 175 Cb -0.05 -2.25 0.02 0.00 -0.57 0.00 0.00 34.95 32.09 3k48 s ARG 175 CO 0.02 0.59 -0.11 -1.21 -1.08 0.00 0.00 175.30 173.50 3k48 s GLU 176 N -0.86 1.68 -0.28 3.89 2.02 -0.14 -0.98 118.70 124.03 3k48 s GLU 176 Ca 0.12 -0.38 -0.18 0.00 0.02 0.00 0.00 54.97 54.55 3k48 s GLU 176 Cb -0.10 -1.48 0.11 0.00 0.10 0.00 0.00 34.13 32.76 3k48 s GLU 176 CO 0.01 -0.06 0.86 0.20 0.02 0.00 0.00 175.26 176.29 3k48 s GLY 177 N 0.96 -0.30 -1.09 -1.39 0.00 -0.43 -0.26 107.32 104.81 3k48 s GLY 177 Ca -0.09 2.74 -0.02 0.00 0.00 0.00 0.00 44.72 47.34 3k48 s GLY 177 CO 0.00 2.37 0.93 -1.06 0.00 0.00 0.00 173.10 175.33 3k48 n GLN 178 N 3.67 -6.17 -0.99 2.90 6.02 -1.26 -2.47 117.38 119.07 3k48 n GLN 178 Ca -0.18 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.55 3k48 n GLN 178 Cb 0.58 -5.47 0.00 0.00 1.02 0.00 0.00 30.24 26.37 3k48 n GLN 178 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k48 n GLY 179 N -1.32 0.25 3.13 1.08 0.00 -1.26 -5.00 105.19 102.08 3k48 n GLY 179 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 3k48 n GLY 179 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k48 s ARG 180 N -1.01 2.78 0.12 1.61 0.52 -1.03 -5.12 118.95 116.82 3k48 s ARG 180 Ca 0.00 -0.76 -0.17 0.00 -0.52 0.00 0.00 55.73 54.27 3k48 s ARG 180 Cb 0.00 -2.28 -0.07 0.00 0.52 0.00 0.00 34.95 33.12 3k48 s ARG 180 CO 0.00 -0.05 0.58 0.50 0.02 0.00 0.00 175.30 176.36 3k48 s ARG 181 N 0.91 4.12 -0.02 3.54 3.52 -1.26 -1.32 118.95 128.44 3k48 s ARG 181 Ca -0.06 0.66 0.01 0.00 -0.13 0.00 0.00 55.73 56.21 3k48 s ARG 181 Cb -0.15 -3.07 0.02 0.00 -1.56 0.00 0.00 34.95 30.19 3k48 s ARG 181 CO -0.03 0.54 -0.01 -2.00 -0.81 0.00 0.00 175.30 172.99 3k48 s GLU 182 N -1.56 0.33 -0.24 5.12 2.12 -0.15 -5.01 118.70 119.30 3k48 s GLU 182 Ca 0.34 0.01 -0.16 0.00 0.36 0.00 0.00 54.97 55.52 3k48 s GLU 182 Cb -0.17 -0.44 -0.04 0.00 0.26 0.00 0.00 34.13 33.74 3k48 s GLU 182 CO 0.19 -0.07 0.41 0.99 -0.54 0.00 0.00 175.26 176.24 3k48 s THR 183 N 0.71 5.16 -0.18 -1.70 2.01 -1.26 -1.23 115.64 119.14 3k48 s THR 183 Ca -0.07 0.69 -0.22 0.00 0.31 0.00 0.00 61.69 62.40 3k48 s THR 183 Cb -0.10 -3.74 -0.19 0.00 0.01 0.00 0.00 72.50 68.48 3k48 s THR 183 CO -0.01 0.17 0.32 -0.07 -0.69 0.00 0.00 174.62 174.34 3k48 h LEU 184 N 8.32 0.00 -7.00 4.42 3.38 -1.04 -3.49 115.31 119.90 3k48 h LEU 184 Ca -0.32 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.04 3k48 h LEU 184 Cb 1.16 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 3k48 h LEU 184 CO 0.69 1.26 0.20 0.72 0.09 0.00 0.00 178.44 181.40 3k48 s PHE 185 N -2.28 -0.59 0.22 1.13 -0.12 -1.16 -5.04 117.98 110.13 3k48 s PHE 185 Ca -0.24 0.70 0.10 0.00 -0.05 0.00 0.00 56.93 57.44 3k48 s PHE 185 Cb 0.03 0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 42.86 3k48 s PHE 185 CO 0.56 -0.73 -0.18 1.03 -0.05 0.00 0.00 175.22 175.84 3k48 s ARG 186 N -2.56 1.46 -0.08 1.99 0.52 -1.26 -1.65 118.95 117.38 3k48 s ARG 186 Ca -0.04 -1.60 0.03 0.00 -0.52 0.00 0.00 55.73 53.60 3k48 s ARG 186 Cb -0.01 -1.48 0.01 0.00 0.52 0.00 0.00 34.95 33.99 3k48 s ARG 186 CO -0.02 0.28 -0.16 0.00 0.02 0.00 0.00 175.30 175.42 3k48 s ILE 188 N 0.56 1.87 -0.24 0.00 1.09 -1.26 -1.69 121.20 121.53 3k48 s ILE 188 Ca -0.16 -0.84 0.01 0.00 -1.10 0.00 0.00 60.65 58.56 3k48 s ILE 188 Cb -0.17 -1.70 0.04 0.00 -1.06 0.00 0.00 42.46 39.58 3k48 s ILE 188 CO 0.05 0.51 -0.11 -0.13 -0.10 0.00 0.00 174.94 175.16 3k48 s ARG 189 N 1.18 2.57 0.25 2.79 1.81 0.58 -4.96 118.95 123.17 3k48 s ARG 189 Ca 0.00 -1.13 -0.31 0.00 -1.72 0.00 0.00 55.73 52.58 3k48 s ARG 189 Cb -0.14 -2.85 -0.11 0.00 -0.45 0.00 0.00 34.95 31.40 3k48 s ARG 189 CO -0.08 -0.45 1.56 0.45 -0.68 0.00 0.00 175.30 176.11 3k48 s SER 190 N 1.21 6.49 0.07 0.23 0.15 -1.26 0.14 113.70 120.72 3k48 s SER 190 Ca -0.03 2.80 0.03 0.00 0.70 0.00 0.00 55.95 59.45 3k48 s SER 190 Cb -0.17 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.48 3k48 s SER 190 CO -0.07 -0.85 0.07 -0.04 1.20 0.00 0.00 173.24 173.56 3k48 s MET 191 N 0.04 2.87 0.94 5.44 1.00 0.61 -4.87 119.30 125.34 3k48 s MET 191 Ca 0.65 -0.67 -0.15 0.00 0.00 0.00 0.00 55.69 55.51 3k48 s MET 191 Cb -0.46 -2.73 0.19 0.00 0.00 0.00 0.00 34.83 31.84 3k48 s MET 191 CO 0.42 0.58 1.30 -1.25 0.00 0.00 0.00 175.02 176.06 3k48 s PRO 192 N -2.27 0.73 0.03 2.03 0.04 -1.26 -4.41 135.00 129.90 3k48 s PRO 192 Ca 0.28 -0.44 0.22 0.00 0.04 0.00 0.00 61.00 61.11 3k48 s PRO 192 Cb -0.12 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 3k48 s PRO 192 CO 0.20 -2.34 0.86 -1.13 0.04 0.00 0.00 177.00 174.63 3k48 n SER 193 N -3.70 0.53 -4.62 6.66 3.41 -1.26 -4.65 113.62 109.99 3k48 n SER 193 Ca 0.15 -0.23 -0.41 0.00 -0.26 0.00 0.00 58.87 58.12 3k48 n SER 193 Cb 0.60 1.12 -0.05 0.00 -0.26 0.00 0.00 64.21 65.61 3k48 n SER 193 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k48 s ASP 194 N -4.07 6.63 0.45 4.04 2.15 -1.26 -4.95 116.67 119.66 3k48 s ASP 194 Ca 0.01 0.67 0.24 0.00 0.43 0.00 0.00 52.55 53.89 3k48 s ASP 194 Cb 0.14 -2.38 1.24 0.00 -0.30 0.00 0.00 42.92 41.62 3k48 s ASP 194 CO 0.84 -0.52 1.82 -0.65 -0.17 0.00 0.00 175.17 176.48 3k48 h PRO 195 N 8.03 0.26 0.00 4.34 0.11 -1.95 -0.13 132.00 142.66 3k48 h PRO 195 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3k48 h PRO 195 Cb 1.11 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3k48 h PRO 195 CO 0.84 0.17 0.00 -0.44 -0.21 0.00 0.00 178.00 178.36 3k48 h ASP 196 N 0.26 0.00 0.00 -2.05 3.32 -1.98 -3.10 116.42 112.88 3k48 h ASP 196 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 3k48 h ASP 196 Cb 1.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.15 3k48 h ASP 196 CO -0.17 0.00 -1.13 0.54 -1.72 0.00 0.00 179.24 176.76 3k48 n ARG 197 N -3.00 0.92 -1.12 3.56 1.74 -0.15 -4.79 116.66 113.81 3k48 n ARG 197 Ca 0.02 -0.05 -0.24 0.00 -0.77 0.00 0.00 57.85 56.82 3k48 n ARG 197 Cb 0.38 -1.38 -0.11 0.00 -1.02 0.00 0.00 32.46 30.34 3k48 n ARG 197 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k48 n ALA 198 N -1.63 6.83 -3.05 7.54 0.00 -0.63 -4.79 120.51 124.77 3k48 n ALA 198 Ca 0.01 -2.55 -0.32 0.00 0.00 0.00 0.00 53.44 50.59 3k48 n ALA 198 Cb 0.34 -2.78 -0.17 0.00 0.00 0.00 0.00 19.45 16.84 3k48 n ALA 198 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3k48 s TYR 199 N 1.56 2.55 -0.24 0.00 1.51 -1.26 -4.05 117.35 117.41 3k48 s TYR 199 Ca 0.67 -0.90 -0.19 0.00 -1.01 0.00 0.00 57.07 55.64 3k48 s TYR 199 Cb 0.25 -1.69 0.07 0.00 -0.11 0.00 0.00 41.96 40.48 3k48 s TYR 199 CO -0.03 -0.33 0.63 -0.80 -1.11 0.00 0.00 175.55 173.92 3k48 s ASN 200 N 0.17 -0.73 0.33 2.29 0.01 -0.93 -5.02 114.94 111.05 3k48 s ASN 200 Ca -0.13 1.32 0.03 0.00 -0.71 0.00 0.00 52.86 53.37 3k48 s ASN 200 Cb -0.16 1.28 -0.02 0.00 0.41 0.00 0.00 41.25 42.76 3k48 s ASN 200 CO 0.07 -0.22 0.49 -0.94 -1.51 0.00 0.00 177.10 174.98 3k48 s SER 201 N 0.79 6.15 -0.10 -1.22 1.04 -1.26 -0.88 113.70 118.22 3k48 s SER 201 Ca -0.04 0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.51 3k48 s SER 201 Cb -0.05 -1.71 0.05 0.00 0.10 0.00 0.00 66.02 64.41 3k48 s SER 201 CO -0.06 -0.32 0.19 0.00 0.98 0.00 0.00 173.24 174.03 3k48 s TYR 203 N 2.32 2.23 0.12 0.00 6.14 -1.26 -2.43 117.35 124.47 3k48 s TYR 203 Ca 0.03 -1.08 0.01 0.00 0.64 0.00 0.00 57.07 56.67 3k48 s TYR 203 Cb -0.12 -1.57 -0.04 0.00 0.42 0.00 0.00 41.96 40.65 3k48 s TYR 203 CO -0.07 -0.53 -0.04 0.45 0.64 0.00 0.00 175.55 176.01 3k48 s SER 204 N 0.92 1.07 0.01 4.32 0.15 -1.00 -5.00 113.70 114.18 3k48 s SER 204 Ca -0.07 -1.07 -0.28 0.00 0.70 0.00 0.00 55.95 55.23 3k48 s SER 204 Cb -0.15 0.12 0.07 0.00 -1.71 0.00 0.00 66.02 64.35 3k48 s SER 204 CO -0.02 -0.52 0.66 0.00 1.20 0.00 0.00 173.24 174.57 3k48 s ALA 205 N -3.68 -1.72 0.11 5.45 0.00 -1.26 -1.86 121.76 118.80 3k48 s ALA 205 Ca 0.16 1.06 -0.25 0.00 0.00 0.00 0.00 51.96 52.93 3k48 s ALA 205 Cb 0.06 0.27 0.08 0.00 0.00 0.00 0.00 23.12 23.53 3k48 s ALA 205 CO -0.02 -0.50 0.77 0.20 0.00 0.00 0.00 175.76 176.21 3k48 s GLY 206 N -1.69 -0.45 -0.23 0.00 0.00 -0.55 -5.00 107.32 99.39 3k48 s GLY 206 Ca -0.07 0.55 -0.12 0.00 0.00 0.00 0.00 44.72 45.08 3k48 s GLY 206 CO 0.02 0.18 0.24 0.14 0.00 0.00 0.00 173.10 173.68 3k48 s VAL 207 N -3.47 5.30 -0.00 1.40 1.01 -1.26 -1.41 120.40 121.96 3k48 s VAL 207 Ca 0.05 0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 3k48 s VAL 207 Cb -0.02 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 3k48 s VAL 207 CO -0.07 0.30 0.07 -0.36 0.00 0.00 0.00 175.10 175.04 3k48 s PHE 208 N 1.24 0.07 -0.35 5.22 0.08 -0.21 -4.94 117.98 119.09 3k48 s PHE 208 Ca 0.11 -0.16 -0.29 0.00 0.12 0.00 0.00 56.93 56.71 3k48 s PHE 208 Cb -0.14 -0.07 0.02 0.00 -0.57 0.00 0.00 43.02 42.26 3k48 s PHE 208 CO 0.06 -0.19 1.12 -1.58 -0.10 0.00 0.00 175.22 174.53 3k48 s HIS 209 N -1.01 3.01 -0.15 0.36 5.65 -1.26 -0.59 115.29 121.29 3k48 s HIS 209 Ca -0.11 1.05 -0.02 0.00 0.25 0.00 0.00 55.06 56.22 3k48 s HIS 209 Cb -0.06 -3.89 -0.02 0.00 -1.18 0.00 0.00 32.58 27.43 3k48 s HIS 209 CO 0.00 -1.01 -0.08 -0.51 -0.65 0.00 0.00 174.74 172.50 3k48 s LEU 210 N 3.94 2.98 0.24 8.88 1.43 0.28 -4.99 118.68 131.43 3k48 s LEU 210 Ca 0.48 -0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 53.24 3k48 s LEU 210 Cb -0.12 -1.70 -0.07 0.00 0.03 0.00 0.00 46.19 44.33 3k48 s LEU 210 CO 0.20 0.14 0.54 -1.00 0.23 0.00 0.00 176.35 176.47 3k48 s HIS 211 N 0.51 3.44 0.26 0.29 3.76 -1.26 -1.69 115.29 120.60 3k48 s HIS 211 Ca -0.06 0.82 -0.31 0.00 -0.15 0.00 0.00 55.06 55.37 3k48 s HIS 211 Cb -0.15 -2.22 -0.12 0.00 1.11 0.00 0.00 32.58 31.19 3k48 s HIS 211 CO 0.03 0.25 1.55 0.94 -0.85 0.00 0.00 174.74 176.67 3k48 n GLN 212 N -0.28 2.48 -0.18 1.40 7.27 -1.26 -1.98 117.38 124.83 3k48 n GLN 212 Ca 0.00 0.88 0.00 0.00 0.07 0.00 0.00 57.00 57.95 3k48 n GLN 212 Cb 0.53 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.54 3k48 n GLN 212 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3k48 n GLY 213 N 2.37 0.94 3.78 1.69 0.00 0.21 -4.97 105.19 109.21 3k48 n GLY 213 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3k48 n GLY 213 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k48 s ASP 214 N -2.88 6.63 -0.22 1.61 1.11 -0.84 -4.81 116.67 117.28 3k48 s ASP 214 Ca 0.00 2.12 -0.05 0.00 0.18 0.00 0.00 52.55 54.80 3k48 s ASP 214 Cb 0.00 -2.59 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 3k48 s ASP 214 CO 0.00 -0.58 -0.00 -0.63 1.18 0.00 0.00 175.17 175.13 3k48 s ILE 215 N -1.61 3.81 -0.20 0.77 1.01 0.64 -0.95 121.20 124.67 3k48 s ILE 215 Ca 0.59 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.79 3k48 s ILE 215 Cb -0.24 -2.74 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 3k48 s ILE 215 CO 0.30 0.41 0.12 -0.63 0.00 0.00 0.00 174.94 175.14 3k48 s ILE 216 N 1.28 5.22 0.11 2.92 -1.09 -0.65 -0.97 121.20 128.04 3k48 s ILE 216 Ca 0.04 0.12 0.07 0.00 -2.23 0.00 0.00 60.65 58.65 3k48 s ILE 216 Cb -0.15 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 3k48 s ILE 216 CO 0.01 0.43 -0.16 0.42 -1.23 0.00 0.00 174.94 174.40 3k48 s THR 217 N 0.49 1.43 -0.13 2.92 -4.23 -0.74 -2.07 115.64 113.32 3k48 s THR 217 Ca 0.07 -1.62 -0.01 0.00 -1.18 0.00 0.00 61.69 58.95 3k48 s THR 217 Cb -0.12 -1.48 0.04 0.00 1.34 0.00 0.00 72.50 72.28 3k48 s THR 217 CO -0.00 -0.29 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.07 3k48 s VAL 218 N -1.73 0.82 0.02 2.29 1.01 -1.26 -1.43 120.40 120.12 3k48 s VAL 218 Ca 0.07 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.76 3k48 s VAL 218 Cb -0.07 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 3k48 s VAL 218 CO 0.04 0.17 -0.18 -0.54 0.00 0.00 0.00 175.10 174.58 3k48 s LYS 219 N 1.77 1.31 -0.23 2.72 1.02 -0.58 -4.40 119.74 121.35 3k48 s LYS 219 Ca 0.03 -0.78 -0.06 0.00 0.02 0.00 0.00 55.97 55.18 3k48 s LYS 219 Cb -0.14 -1.34 -0.02 0.00 -0.52 0.00 0.00 37.83 35.80 3k48 s LYS 219 CO -0.07 0.35 0.02 0.42 -0.92 0.00 0.00 175.35 175.15 3k48 s ILE 220 N -0.65 3.93 0.00 2.17 1.09 0.02 -0.23 121.20 127.53 3k48 s ILE 220 Ca 0.06 -0.30 -0.03 0.00 -1.10 0.00 0.00 60.65 59.28 3k48 s ILE 220 Cb -0.08 -2.81 -0.13 0.00 -1.06 0.00 0.00 42.46 38.38 3k48 s ILE 220 CO 0.01 0.38 2.69 -0.81 -0.10 0.00 0.00 174.94 177.11 3k48 n PRO 221 N 4.81 1.43 -4.27 2.79 -0.05 -1.26 -1.22 135.00 137.21 3k48 n PRO 221 Ca -0.17 -0.48 -0.19 0.00 -0.05 0.00 0.00 63.50 62.61 3k48 n PRO 221 Cb 0.51 -1.51 -0.11 0.00 -0.05 0.00 0.00 33.50 32.34 3k48 n PRO 221 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 3k48 s ARG 222 N 0.62 1.12 0.23 0.54 1.81 -0.82 -4.75 118.95 117.69 3k48 s ARG 222 Ca 0.32 -1.33 -0.30 0.00 -1.72 0.00 0.00 55.73 52.71 3k48 s ARG 222 Cb 0.15 -1.02 -0.09 0.00 -0.45 0.00 0.00 34.95 33.55 3k48 s ARG 222 CO 0.00 0.19 0.98 0.00 -0.68 0.00 0.00 175.30 175.79 3k48 s ALA 223 N -2.26 3.34 -1.31 2.13 0.00 -1.25 -2.29 121.76 120.12 3k48 s ALA 223 Ca 0.12 0.67 -0.06 0.00 0.00 0.00 0.00 51.96 52.69 3k48 s ALA 223 Cb -0.04 -3.25 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 3k48 s ALA 223 CO 0.04 0.09 0.58 0.09 0.00 0.00 0.00 175.76 176.56 3k48 n ASN 224 N 1.67 -1.93 -4.77 0.00 3.02 -1.26 -4.91 115.26 107.08 3k48 n ASN 224 Ca -0.01 -0.98 -0.40 0.00 -0.03 0.00 0.00 54.58 53.16 3k48 n ASN 224 Cb 0.47 -3.32 -0.02 0.00 -0.61 0.00 0.00 39.78 36.29 3k48 n ASN 224 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k48 s ALA 225 N -3.76 3.37 -0.40 5.41 0.00 -1.26 -4.98 121.76 120.14 3k48 s ALA 225 Ca 0.14 1.12 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 3k48 s ALA 225 Cb -0.05 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.66 3k48 s ALA 225 CO 0.87 -0.54 0.64 0.15 0.00 0.00 0.00 175.76 176.87 3k48 s LYS 226 N -1.89 3.48 0.02 0.00 1.02 -1.26 -5.04 119.74 116.06 3k48 s LYS 226 Ca 0.51 -0.17 -0.03 0.00 0.02 0.00 0.00 55.97 56.30 3k48 s LYS 226 Cb -0.36 -3.88 -0.01 0.00 -0.52 0.00 0.00 37.83 33.06 3k48 s LYS 226 CO 0.47 -0.87 0.05 -0.48 -0.92 0.00 0.00 175.35 173.59 3k48 s LEU 227 N 2.76 1.93 0.39 3.17 0.05 -1.26 -2.16 118.68 123.56 3k48 s LEU 227 Ca 0.23 -0.40 -0.26 0.00 0.05 0.00 0.00 54.13 53.76 3k48 s LEU 227 Cb -0.14 0.38 -0.09 0.00 -2.05 0.00 0.00 46.19 44.29 3k48 s LEU 227 CO 0.17 -0.36 1.14 -0.55 -0.55 0.00 0.00 176.35 176.21 3k48 s SER 228 N -1.53 6.65 0.00 1.48 0.15 0.28 -4.94 113.70 115.79 3k48 s SER 228 Ca -0.14 2.29 0.26 0.00 0.70 0.00 0.00 55.95 59.06 3k48 s SER 228 Cb -0.08 -2.61 0.86 0.00 -1.71 0.00 0.00 66.02 62.48 3k48 s SER 228 CO -0.00 -0.58 1.63 0.18 1.20 0.00 0.00 173.24 175.66 3k48 n LEU 229 N 0.18 1.79 -4.75 3.45 4.77 -1.26 -4.43 117.00 116.75 3k48 n LEU 229 Ca 0.04 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 54.96 3k48 n LEU 229 Cb 0.47 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3k48 n LEU 229 CO 0.50 0.32 1.27 -0.55 -1.33 0.00 0.00 177.39 177.60 3k48 s SER 230 N -1.88 6.36 0.48 -1.43 0.15 -1.26 -4.39 113.70 111.73 3k48 s SER 230 Ca 0.36 2.95 0.24 0.00 0.70 0.00 0.00 55.95 60.20 3k48 s SER 230 Cb 0.20 -2.63 1.24 0.00 -1.71 0.00 0.00 66.02 63.12 3k48 s SER 230 CO 0.31 -0.93 2.00 1.55 1.20 0.00 0.00 173.24 177.37 3k48 h PRO 231 N 5.05 0.00 -0.48 5.44 0.13 -1.90 -1.82 132.00 138.42 3k48 h PRO 231 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 3k48 h PRO 231 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 3k48 h PRO 231 CO 0.81 0.17 0.05 -2.39 -0.23 0.00 0.00 178.00 176.42 3k48 n HIS 232 N -3.71 1.70 0.00 1.56 1.44 -1.26 -4.43 115.22 110.52 3k48 n HIS 232 Ca -0.02 -0.93 0.00 0.00 -2.01 0.00 0.00 57.72 54.76 3k48 n HIS 232 Cb 0.29 -0.48 0.00 0.00 0.12 0.00 0.00 29.99 29.92 3k48 n HIS 232 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3k48 n GLY 233 N -0.05 0.00 2.96 -1.39 0.00 -0.88 -5.03 105.19 100.80 3k48 n GLY 233 Ca 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 3k48 n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k48 s THR 234 N -2.00 1.29 0.29 2.61 2.01 -0.74 -3.26 115.64 115.84 3k48 s THR 234 Ca 0.00 -0.48 -0.19 0.00 0.31 0.00 0.00 61.69 61.33 3k48 s THR 234 Cb 0.00 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.26 3k48 s THR 234 CO 0.00 0.39 0.68 0.72 -0.69 0.00 0.00 174.62 175.72 3k48 s PHE 235 N 1.60 -0.04 -0.10 4.92 -0.12 0.15 -4.23 117.98 120.15 3k48 s PHE 235 Ca 0.05 -0.42 -0.08 0.00 -0.05 0.00 0.00 56.93 56.43 3k48 s PHE 235 Cb -0.13 0.62 0.03 0.00 -0.63 0.00 0.00 43.02 42.91 3k48 s PHE 235 CO -0.09 -1.23 0.25 -1.17 -0.05 0.00 0.00 175.22 172.93 3k48 s LEU 236 N -2.96 0.92 0.15 -1.99 2.96 -1.02 -0.19 118.68 116.56 3k48 s LEU 236 Ca 0.14 0.51 -0.17 0.00 -0.22 0.00 0.00 54.13 54.39 3k48 s LEU 236 Cb -0.05 0.85 0.03 0.00 0.50 0.00 0.00 46.19 47.52 3k48 s LEU 236 CO 0.08 -0.10 0.45 -0.83 -1.32 0.00 0.00 176.35 174.62 3k48 s GLY 237 N 0.33 -0.21 0.01 7.98 0.00 0.39 -0.67 107.32 115.15 3k48 s GLY 237 Ca -0.02 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.61 3k48 s GLY 237 CO -0.01 -0.28 -0.04 -1.36 0.00 0.00 0.00 173.10 171.41 3k48 s PHE 238 N -3.83 0.31 -0.04 1.90 0.40 -0.05 -0.95 117.98 115.73 3k48 s PHE 238 Ca 0.05 -0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.14 3k48 s PHE 238 Cb 0.01 -0.20 0.03 0.00 0.51 0.00 0.00 43.02 43.37 3k48 s PHE 238 CO -0.09 -0.06 0.04 0.08 0.70 0.00 0.00 175.22 175.89 3k48 s VAL 239 N -0.60 0.02 -0.17 -0.44 1.01 0.01 -2.13 120.40 118.11 3k48 s VAL 239 Ca -0.05 0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.94 3k48 s VAL 239 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 3k48 s VAL 239 CO -0.00 0.17 0.94 -0.75 0.00 0.00 0.00 175.10 175.46 3k48 s LYS 240 N 1.75 4.32 0.00 2.72 2.20 -0.26 -0.09 119.74 130.38 3k48 s LYS 240 Ca -0.00 1.23 0.25 0.00 -0.36 0.00 0.00 55.97 57.09 3k48 s LYS 240 Cb -0.12 -3.58 0.42 0.00 -1.51 0.00 0.00 37.83 33.03 3k48 s LYS 240 CO -0.03 -0.41 1.39 1.28 -0.36 0.00 0.00 175.35 177.21