#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pka n ASP 95 N 0.00 0.45 -1.69 0.00 4.64 -1.26 -5.09 116.55 113.60 2pka n ASP 95 Ca 0.00 0.19 0.00 0.00 -1.38 0.00 0.00 54.79 53.60 2pka n ASP 95 Cb 0.00 0.79 0.00 0.00 -1.04 0.00 0.00 41.12 40.87 2pka n ASP 95 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2pka n GLY 96 N 1.45 -4.97 4.11 0.27 0.00 -1.26 -4.79 105.19 100.01 2pka n GLY 96 Ca -0.14 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.06 2pka n GLY 96 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2pka n LYS 97 N 1.22 -0.41 -4.74 1.61 2.85 -1.26 -4.87 118.16 112.55 2pka n LYS 97 Ca 0.00 0.08 -0.24 0.00 -1.05 0.00 0.00 58.31 57.10 2pka n LYS 97 Cb 0.00 -2.75 -0.16 0.00 -0.65 0.00 0.00 35.03 31.47 2pka n LYS 97 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 2pka s ASP 98 N -3.69 1.91 -0.17 -5.58 3.84 -1.26 -3.59 116.67 108.13 2pka s ASP 98 Ca 0.40 -0.30 0.01 0.00 -0.00 0.00 0.00 52.55 52.66 2pka s ASP 98 Cb -0.22 -0.38 0.19 0.00 -1.38 0.00 0.00 42.92 41.13 2pka s ASP 98 CO 0.98 0.16 1.53 -1.22 -0.00 0.00 0.00 175.17 176.62 2pka n TYR 99 N 2.95 1.01 -2.04 2.11 4.02 -1.26 -4.91 117.16 119.04 2pka n TYR 99 Ca -0.16 -1.18 -0.37 0.00 -0.01 0.00 0.00 57.90 56.18 2pka n TYR 99 Cb 0.54 -0.59 0.02 0.00 -0.02 0.00 0.00 39.34 39.29 2pka n TYR 99 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2pka s SER 100 N 0.42 5.52 -1.40 7.72 0.01 -1.26 -3.31 113.70 121.41 2pka s SER 100 Ca 0.19 2.45 0.00 0.00 1.31 0.00 0.00 55.95 59.90 2pka s SER 100 Cb 0.16 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2pka s SER 100 CO 0.02 -1.37 0.00 1.41 0.41 0.00 0.00 173.24 173.71 2pka n HIS 101 N -1.11 -0.33 -2.45 2.43 8.25 -1.26 -4.93 115.22 115.82 2pka n HIS 101 Ca 0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.18 2pka n HIS 101 Cb 0.48 -2.82 -0.02 0.00 1.12 0.00 0.00 29.99 28.76 2pka n HIS 101 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2pka s ASP 102 N -2.60 6.35 -0.20 0.41 2.15 -1.21 -4.84 116.67 116.73 2pka s ASP 102 Ca 0.00 -2.13 -0.12 0.00 0.43 0.00 0.00 52.55 50.73 2pka s ASP 102 Cb 0.00 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 40.10 2pka s ASP 102 CO 0.00 -1.68 0.49 -0.22 -0.17 0.00 0.00 175.17 173.59 2pka s LEU 103 N 6.00 -0.23 -0.07 -1.34 2.96 -1.26 -4.79 118.68 119.95 2pka s LEU 103 Ca 0.57 1.05 -0.06 0.00 -0.22 0.00 0.00 54.13 55.47 2pka s LEU 103 Cb 0.02 1.65 0.02 0.00 0.50 0.00 0.00 46.19 48.38 2pka s LEU 103 CO 0.07 -0.20 0.19 -0.32 -1.32 0.00 0.00 176.35 174.77 2pka s MET 104 N 1.20 0.21 -0.06 1.98 -2.45 -1.26 -5.16 119.30 113.77 2pka s MET 104 Ca -0.08 0.27 -0.12 0.00 -1.25 0.00 0.00 55.69 54.51 2pka s MET 104 Cb -0.07 0.09 -0.05 0.00 1.25 0.00 0.00 34.83 36.05 2pka s MET 104 CO -0.11 -0.03 0.31 -0.51 1.05 0.00 0.00 175.02 175.73 2pka s LEU 105 N 0.17 4.42 -0.20 4.11 1.43 -1.26 -5.09 118.68 122.25 2pka s LEU 105 Ca -0.01 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 2pka s LEU 105 Cb -0.02 -2.40 0.04 0.00 0.03 0.00 0.00 46.19 43.83 2pka s LEU 105 CO -0.00 0.32 -0.15 -0.76 0.23 0.00 0.00 176.35 175.99 2pka s LEU 106 N -0.87 2.50 -0.31 1.79 1.02 -1.26 -5.12 118.68 116.44 2pka s LEU 106 Ca 0.20 -0.91 -0.16 0.00 0.02 0.00 0.00 54.13 53.28 2pka s LEU 106 Cb -0.15 -1.42 -0.02 0.00 0.02 0.00 0.00 46.19 44.62 2pka s LEU 106 CO 0.09 -0.09 0.42 -0.60 0.02 0.00 0.00 176.35 176.19 2pka s ARG 107 N 1.28 3.82 0.37 1.70 3.52 -1.26 -5.05 118.95 123.33 2pka s ARG 107 Ca -0.00 -0.08 -0.25 0.00 -0.13 0.00 0.00 55.73 55.26 2pka s ARG 107 Cb -0.16 -3.73 -0.09 0.00 -1.56 0.00 0.00 34.95 29.41 2pka s ARG 107 CO -0.09 -0.44 1.07 -0.51 -0.81 0.00 0.00 175.30 174.52 2pka s LEU 108 N 2.17 4.24 0.50 -0.88 1.43 -1.26 -4.94 118.68 119.93 2pka s LEU 108 Ca 0.16 2.11 0.24 0.00 -1.03 0.00 0.00 54.13 55.61 2pka s LEU 108 Cb -0.16 -4.05 1.31 0.00 0.03 0.00 0.00 46.19 43.33 2pka s LEU 108 CO 0.11 -0.43 1.94 -0.61 0.23 0.00 0.00 176.35 177.59 2pka h GLN 109 N 2.81 0.13 -2.50 1.70 4.15 -2.06 -3.43 115.11 115.91 2pka h GLN 109 Ca -0.48 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 58.87 2pka h GLN 109 Cb 1.22 -0.03 -0.18 0.00 0.21 0.00 0.00 27.48 28.70 2pka h GLN 109 CO 0.63 0.09 0.07 -1.54 -1.93 0.00 0.00 178.83 176.15 2pka s SER 110 N -5.94 -0.51 0.52 -0.69 1.04 -1.26 -5.16 113.70 101.71 2pka s SER 110 Ca -0.06 0.38 -0.22 0.00 0.48 0.00 0.00 55.95 56.52 2pka s SER 110 Cb 0.21 0.50 -0.06 0.00 0.10 0.00 0.00 66.02 66.77 2pka s SER 110 CO 0.76 -0.66 1.35 -2.84 0.98 0.00 0.00 173.24 172.83 2pka s PRO 111 N -1.88 3.27 0.37 4.02 0.01 -1.26 -4.99 135.00 134.55 2pka s PRO 111 Ca -0.08 2.23 -0.26 0.00 0.01 0.00 0.00 61.00 62.89 2pka s PRO 111 Cb -0.01 -2.33 -0.09 0.00 0.01 0.00 0.00 34.50 32.08 2pka s PRO 111 CO 0.03 -1.08 1.16 0.00 0.01 0.00 0.00 177.00 177.12 2pka s ALA 112 N -1.31 3.23 -0.56 -1.55 0.00 -1.26 -4.98 121.76 115.33 2pka s ALA 112 Ca 0.69 0.96 -0.23 0.00 0.00 0.00 0.00 51.96 53.38 2pka s ALA 112 Cb -0.40 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.40 2pka s ALA 112 CO 0.48 -0.44 0.90 0.21 0.00 0.00 0.00 175.76 176.90 2pka s LYS 113 N -2.11 3.26 -0.45 0.00 2.20 -1.26 -4.98 119.74 116.40 2pka s LYS 113 Ca 0.54 -0.47 -0.27 0.00 -0.36 0.00 0.00 55.97 55.41 2pka s LYS 113 Cb -0.31 -4.09 -0.03 0.00 -1.51 0.00 0.00 37.83 31.89 2pka s LYS 113 CO 0.39 -1.51 1.94 0.42 -0.36 0.00 0.00 175.35 176.23 2pka s ILE 114 N 3.77 3.33 0.00 5.43 -1.09 -1.26 -4.77 121.20 126.61 2pka s ILE 114 Ca 0.26 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 2pka s ILE 114 Cb -0.14 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 2pka s ILE 114 CO 0.16 -0.51 0.00 0.35 -1.23 0.00 0.00 174.94 173.72 2pka n THR 115 N 7.45 0.00 0.18 2.92 -2.24 -0.62 -4.97 114.28 117.00 2pka n THR 115 Ca 0.24 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.10 2pka n THR 115 Cb 0.50 -0.10 0.14 0.00 -2.10 0.00 0.00 70.33 68.77 2pka n THR 115 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2pka h ASP 116 N 0.00 0.00 0.90 3.42 5.19 -2.03 -3.06 116.42 120.84 2pka h ASP 116 Ca 0.00 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 2pka h ASP 116 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2pka h ASP 116 CO 0.00 0.27 -1.15 0.00 -3.12 0.00 0.00 179.24 175.23 2pka h ALA 117 N 1.73 0.58 -2.89 3.45 0.00 -1.96 -3.45 119.26 116.73 2pka h ALA 117 Ca -0.00 -0.39 -0.58 0.00 0.00 0.00 0.00 54.91 53.94 2pka h ALA 117 Cb 1.16 0.12 -0.40 0.00 0.00 0.00 0.00 17.79 18.67 2pka h ALA 117 CO 0.03 0.43 -0.78 0.08 0.00 0.00 0.00 179.25 179.01 2pka s VAL 118 N -3.15 0.66 0.30 0.00 1.01 -1.16 -5.11 120.40 112.95 2pka s VAL 118 Ca -0.01 -1.69 0.06 0.00 0.00 0.00 0.00 61.98 60.34 2pka s VAL 118 Cb 0.09 -1.49 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 2pka s VAL 118 CO 0.80 -0.83 -0.02 -0.54 0.00 0.00 0.00 175.10 174.51 2pka s LYS 119 N 1.21 1.61 -0.16 2.72 -0.14 -1.26 -1.59 119.74 122.13 2pka s LYS 119 Ca 0.14 -1.85 -0.10 0.00 -1.36 0.00 0.00 55.97 52.80 2pka s LYS 119 Cb -0.21 -1.10 -0.05 0.00 -1.68 0.00 0.00 37.83 34.80 2pka s LYS 119 CO -0.13 -0.04 0.18 0.08 -0.76 0.00 0.00 175.35 174.69 2pka s VAL 120 N -3.08 5.39 -0.09 3.17 1.01 -1.26 -5.09 120.40 120.45 2pka s VAL 120 Ca 0.32 0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.40 2pka s VAL 120 Cb 0.06 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2pka s VAL 120 CO 0.13 0.49 0.58 -0.22 0.00 0.00 0.00 175.10 176.09 2pka s LEU 121 N -0.13 4.30 0.43 3.92 0.20 -1.26 -5.07 118.68 121.08 2pka s LEU 121 Ca 0.13 0.99 -0.21 0.00 0.69 0.00 0.00 54.13 55.73 2pka s LEU 121 Cb -0.12 -2.87 -0.10 0.00 -0.43 0.00 0.00 46.19 42.66 2pka s LEU 121 CO 0.02 -0.05 0.97 -1.61 -0.29 0.00 0.00 176.35 175.39 2pka s GLU 122 N 0.69 4.17 0.76 1.98 2.02 -1.26 -5.04 118.70 122.01 2pka s GLU 122 Ca 0.31 1.18 -0.11 0.00 0.02 0.00 0.00 54.97 56.37 2pka s GLU 122 Cb -0.16 -2.20 0.05 0.00 0.10 0.00 0.00 34.13 31.92 2pka s GLU 122 CO 0.14 -0.09 1.10 -0.51 0.02 0.00 0.00 175.26 175.92 2pka s LEU 123 N -3.17 3.07 0.66 1.80 1.02 -1.26 -4.49 118.68 116.31 2pka s LEU 123 Ca 0.62 1.87 -0.15 0.00 0.02 0.00 0.00 54.13 56.50 2pka s LEU 123 Cb -0.11 -4.53 -0.00 0.00 0.02 0.00 0.00 46.19 41.57 2pka s LEU 123 CO 0.15 -2.04 1.10 -2.16 0.02 0.00 0.00 176.35 173.41 2pka s PRO 124 N -4.77 2.86 -0.03 1.29 0.04 -1.21 -4.92 135.00 128.27 2pka s PRO 124 Ca 0.62 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.99 2pka s PRO 124 Cb -0.18 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2pka s PRO 124 CO 0.54 -1.19 -0.01 0.25 0.04 0.00 0.00 177.00 176.63 2pka n THR 125 N -2.46 0.20 -3.98 1.26 -2.24 -1.26 -4.85 114.28 100.94 2pka n THR 125 Ca 0.10 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 2pka n THR 125 Cb 0.52 -0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 67.92 2pka n THR 125 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pka s GLN 127 N -2.07 3.32 0.21 -0.78 -0.21 -1.26 -5.08 119.66 113.79 2pka s GLN 127 Ca -0.03 -0.28 -0.30 0.00 0.02 0.00 0.00 55.36 54.77 2pka s GLN 127 Cb 0.01 -3.06 -0.09 0.00 1.00 0.00 0.00 33.01 30.88 2pka s GLN 127 CO 0.10 0.72 1.22 -2.00 -2.12 0.00 0.00 175.29 173.21 2pka s GLU 128 N -1.39 4.47 0.61 2.91 2.56 -1.26 -4.98 118.70 121.62 2pka s GLU 128 Ca 0.20 1.94 -0.16 0.00 0.00 0.00 0.00 54.97 56.95 2pka s GLU 128 Cb -0.12 -3.21 -0.03 0.00 2.00 0.00 0.00 34.13 32.77 2pka s GLU 128 CO 0.10 -0.10 1.07 -1.25 -0.56 0.00 0.00 175.26 174.51 2pka s PRO 129 N -0.47 3.20 -0.05 4.30 0.04 -1.26 -5.05 135.00 135.71 2pka s PRO 129 Ca 0.53 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 2pka s PRO 129 Cb -0.34 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 2pka s PRO 129 CO 0.39 -0.92 0.28 -1.21 0.04 0.00 0.00 177.00 175.58 2pka s GLU 130 N -4.08 3.68 0.26 4.56 2.02 -1.26 -5.07 118.70 118.80 2pka s GLU 130 Ca 0.64 0.13 -0.30 0.00 0.02 0.00 0.00 54.97 55.46 2pka s GLU 130 Cb -0.17 -3.19 -0.11 0.00 0.10 0.00 0.00 34.13 30.76 2pka s GLU 130 CO 0.38 0.73 1.56 -0.51 0.02 0.00 0.00 175.26 177.44 2pka s LEU 132 N -1.12 4.36 0.00 1.80 1.43 -1.26 -2.03 118.68 121.86 2pka s LEU 132 Ca 0.20 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 56.14 2pka s LEU 132 Cb -0.14 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2pka s LEU 132 CO 0.09 -0.86 0.00 0.61 0.23 0.00 0.00 176.35 176.43 2pka n GLY 133 N 2.51 0.20 3.75 -3.19 0.00 0.63 -5.02 105.19 104.07 2pka n GLY 133 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2pka n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pka s SER 134 N -1.99 5.47 -0.16 1.61 0.01 -0.86 -4.71 113.70 113.07 2pka s SER 134 Ca 0.00 2.64 -0.26 0.00 1.31 0.00 0.00 55.95 59.64 2pka s SER 134 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 2pka s SER 134 CO 0.00 -1.42 0.87 -0.89 0.41 0.00 0.00 173.24 172.21 2pka s THR 135 N -1.37 4.85 0.25 1.44 2.01 -1.26 -0.30 115.64 121.26 2pka s THR 135 Ca 0.70 1.72 0.08 0.00 0.31 0.00 0.00 61.69 64.51 2pka s THR 135 Cb -0.37 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 67.92 2pka s THR 135 CO 0.44 0.01 0.07 0.00 -0.69 0.00 0.00 174.62 174.45 2pka s GLU 137 N -3.63 1.98 0.01 0.00 2.12 0.65 -1.07 118.70 118.77 2pka s GLU 137 Ca 0.31 -0.86 0.06 0.00 0.36 0.00 0.00 54.97 54.84 2pka s GLU 137 Cb -0.07 -1.90 -0.03 0.00 0.26 0.00 0.00 34.13 32.39 2pka s GLU 137 CO 0.21 0.51 -0.16 0.00 -0.54 0.00 0.00 175.26 175.28 2pka s ALA 138 N -0.54 2.63 0.05 6.30 0.00 -0.33 -1.12 121.76 128.75 2pka s ALA 138 Ca 0.09 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.95 2pka s ALA 138 Cb -0.09 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 2pka s ALA 138 CO -0.01 0.57 -0.07 -1.54 0.00 0.00 0.00 175.76 174.71 2pka s SER 139 N -1.19 0.83 0.00 0.00 1.04 -1.23 -1.15 113.70 112.00 2pka s SER 139 Ca 0.14 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.93 2pka s SER 139 Cb -0.11 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2pka s SER 139 CO 0.04 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2pka n GLY 140 N 1.18 -0.81 0.93 7.32 0.00 -0.60 -4.49 105.19 108.72 2pka n GLY 140 Ca -0.21 -1.18 0.02 0.00 0.00 0.00 0.00 46.02 44.64 2pka n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2pka n TRP 141 N -0.59 0.86 -1.93 1.61 8.01 -1.26 -1.73 117.44 122.40 2pka n TRP 141 Ca 0.00 -1.33 -0.30 0.00 -1.31 0.00 0.00 57.50 54.56 2pka n TRP 141 Cb 0.00 -0.39 0.19 0.00 -2.01 0.00 0.00 31.31 29.10 2pka n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2pka s GLY 142 N -2.45 1.78 0.37 6.99 0.00 -1.26 -4.44 107.32 108.31 2pka s GLY 142 Ca 0.42 -1.20 -0.27 0.00 0.00 0.00 0.00 44.72 43.67 2pka s GLY 142 CO 0.02 -0.43 1.22 -1.35 0.00 0.00 0.00 173.10 172.56 2pka s SER 143 N -4.89 6.61 0.00 1.64 1.04 -0.34 -4.40 113.70 113.36 2pka s SER 143 Ca 0.74 2.47 0.25 0.00 0.48 0.00 0.00 55.95 59.89 2pka s SER 143 Cb -0.04 -2.63 0.51 0.00 0.10 0.00 0.00 66.02 63.96 2pka s SER 143 CO 0.53 -0.63 1.41 2.30 0.98 0.00 0.00 173.24 177.84 2pka n ILE 144 N 0.35 0.00 -4.35 -1.02 -5.35 0.58 -4.65 119.36 104.92 2pka n ILE 144 Ca 0.03 -0.22 -0.34 0.00 -0.27 0.00 0.00 62.75 61.95 2pka n ILE 144 Cb 0.45 0.78 -0.11 0.00 -1.74 0.00 0.00 39.64 39.02 2pka n ILE 144 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2pka s GLU 145 N -2.38 3.53 0.43 6.28 0.41 -1.25 -4.96 118.70 120.77 2pka s GLU 145 Ca 0.25 -0.47 0.09 0.00 -0.41 0.00 0.00 54.97 54.43 2pka s GLU 145 Cb 0.19 -2.92 0.94 0.00 -1.78 0.00 0.00 34.13 30.56 2pka s GLU 145 CO 0.49 0.36 2.05 -1.35 -0.49 0.00 0.00 175.26 176.33 2pka h PRO 146 N 6.31 0.36 0.00 0.39 0.10 -1.84 -3.39 132.00 133.92 2pka h PRO 146 Ca -0.37 -0.03 0.00 0.00 0.10 0.00 0.00 66.00 65.70 2pka h PRO 146 Cb 1.19 -0.08 0.00 0.00 0.10 0.00 0.00 31.00 32.21 2pka h PRO 146 CO 0.62 0.28 0.00 0.41 0.10 0.00 0.00 178.00 179.41 2pka n GLY 147 N -1.38 -1.79 1.07 -0.55 0.00 -1.26 -1.42 105.19 99.86 2pka n GLY 147 Ca 0.01 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2pka n GLY 147 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pka n PRO 147 N 0.00 0.97 0.00 1.61 -0.04 -1.26 -4.69 135.00 131.59 2pka n PRO 147 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2pka n PRO 147 Cb 0.00 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 2pka n PRO 147 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2pka n ASP 148 N 0.66 0.00 -4.70 3.54 10.43 -1.26 -5.05 116.55 120.17 2pka n ASP 148 Ca 0.00 0.00 -0.34 0.00 2.57 0.00 0.00 54.79 57.02 2pka n ASP 148 Cb 0.48 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 43.35 2pka n ASP 148 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 2pka s PHE 149 N 0.00 3.18 -0.07 1.24 0.08 -1.26 -4.26 117.98 116.89 2pka s PHE 149 Ca 0.00 0.20 -0.03 0.00 0.12 0.00 0.00 56.93 57.22 2pka s PHE 149 Cb 0.00 -1.77 0.04 0.00 -0.57 0.00 0.00 43.02 40.72 2pka s PHE 149 CO 0.00 0.49 0.13 -2.00 -0.10 0.00 0.00 175.22 173.74 2pka s GLU 150 N -1.07 0.01 -0.23 0.44 2.12 -1.26 -4.93 118.70 113.77 2pka s GLU 150 Ca 0.15 0.48 -0.11 0.00 0.36 0.00 0.00 54.97 55.85 2pka s GLU 150 Cb -0.11 -0.31 -0.05 0.00 0.26 0.00 0.00 34.13 33.91 2pka s GLU 150 CO 0.05 -0.29 0.18 -0.06 -0.54 0.00 0.00 175.26 174.60 2pka s PHE 151 N 2.06 3.33 0.63 5.30 0.08 -1.26 -0.31 117.98 127.80 2pka s PHE 151 Ca 0.01 0.27 -0.14 0.00 0.12 0.00 0.00 56.93 57.19 2pka s PHE 151 Cb -0.12 -2.29 -0.02 0.00 -0.57 0.00 0.00 43.02 40.01 2pka s PHE 151 CO -0.05 0.07 1.06 -1.25 -0.10 0.00 0.00 175.22 174.94 2pka s PRO 152 N 1.06 3.19 -0.06 0.24 0.04 -1.26 -5.00 135.00 133.20 2pka s PRO 152 Ca 0.09 1.13 -0.24 0.00 0.04 0.00 0.00 61.00 62.02 2pka s PRO 152 Cb -0.14 -2.02 -0.27 0.00 0.04 0.00 0.00 34.50 32.11 2pka s PRO 152 CO 0.05 -0.91 0.92 -0.44 0.04 0.00 0.00 177.00 176.66 2pka h ASP 153 N 0.08 0.31 -2.81 6.66 3.45 -1.98 -3.46 116.42 118.66 2pka h ASP 153 Ca -0.46 -0.90 -0.66 0.00 0.43 0.00 0.00 57.03 55.44 2pka h ASP 153 Cb 1.22 -0.10 -0.08 0.00 -0.56 0.00 0.00 39.33 39.81 2pka h ASP 153 CO 0.57 1.18 -0.51 -1.83 -1.57 0.00 0.00 179.24 177.08 2pka s GLU 154 N -2.63 3.34 0.25 3.56 1.03 -1.26 -5.06 118.70 117.93 2pka s GLU 154 Ca -0.15 -0.24 -0.30 0.00 0.03 0.00 0.00 54.97 54.31 2pka s GLU 154 Cb 0.00 -3.08 -0.09 0.00 -0.80 0.00 0.00 34.13 30.15 2pka s GLU 154 CO 0.78 0.74 1.32 -1.50 -1.33 0.00 0.00 175.26 175.27 2pka s ILE 155 N -1.07 2.98 -0.06 1.83 2.07 -1.26 -4.91 121.20 120.77 2pka s ILE 155 Ca 0.18 0.86 -0.04 0.00 -1.41 0.00 0.00 60.65 60.24 2pka s ILE 155 Cb -0.12 -3.55 -0.04 0.00 0.13 0.00 0.00 42.46 38.88 2pka s ILE 155 CO 0.07 0.16 0.12 -1.58 -1.91 0.00 0.00 174.94 171.80 2pka s GLN 156 N -0.71 3.30 -0.00 3.50 2.00 -0.71 -4.95 119.66 122.09 2pka s GLN 156 Ca 0.54 -0.29 0.03 0.00 -2.00 0.00 0.00 55.36 53.65 2pka s GLN 156 Cb -0.38 -3.04 -0.01 0.00 0.80 0.00 0.00 33.01 30.38 2pka s GLN 156 CO 0.43 0.72 -0.10 0.00 -0.50 0.00 0.00 175.29 175.84 2pka s VAL 158 N -0.33 0.01 -0.05 0.00 0.11 -0.30 -5.00 120.40 114.85 2pka s VAL 158 Ca 0.03 -0.12 -0.10 0.00 -2.93 0.00 0.00 61.98 58.86 2pka s VAL 158 Cb -0.04 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.52 2pka s VAL 158 CO -0.00 -0.07 0.27 0.00 -3.33 0.00 0.00 175.10 171.97 2pka s GLN 159 N -0.18 3.64 0.25 1.54 -2.07 -1.26 -1.18 119.66 120.41 2pka s GLN 159 Ca -0.03 0.08 0.01 0.00 -1.82 0.00 0.00 55.36 53.60 2pka s GLN 159 Cb -0.02 -3.17 -0.04 0.00 -1.09 0.00 0.00 33.01 28.68 2pka s GLN 159 CO 0.00 0.72 0.13 -0.51 -1.32 0.00 0.00 175.29 174.31 2pka s LEU 160 N -1.22 1.48 -0.05 2.60 1.43 -0.23 -4.90 118.68 117.78 2pka s LEU 160 Ca 0.21 -1.44 0.05 0.00 -1.03 0.00 0.00 54.13 51.92 2pka s LEU 160 Cb -0.14 0.21 -0.02 0.00 0.03 0.00 0.00 46.19 46.27 2pka s LEU 160 CO 0.10 -0.82 -0.20 -0.89 0.23 0.00 0.00 176.35 174.77 2pka s THR 161 N -3.85 2.51 -0.56 5.49 2.01 -0.83 -0.61 115.64 119.80 2pka s THR 161 Ca 0.38 -0.92 -0.28 0.00 0.31 0.00 0.00 61.69 61.19 2pka s THR 161 Cb 0.07 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.64 2pka s THR 161 CO 0.14 0.58 1.46 -0.22 -0.69 0.00 0.00 174.62 175.89 2pka s LEU 162 N -0.42 3.39 0.43 4.42 2.96 0.60 -1.82 118.68 128.24 2pka s LEU 162 Ca 0.04 0.31 0.08 0.00 -0.22 0.00 0.00 54.13 54.34 2pka s LEU 162 Cb -0.12 -3.02 0.01 0.00 0.50 0.00 0.00 46.19 43.56 2pka s LEU 162 CO 0.02 -1.76 0.57 -0.76 -1.32 0.00 0.00 176.35 173.09 2pka s LEU 163 N 6.31 3.61 0.10 -0.68 1.43 0.58 -0.27 118.68 129.75 2pka s LEU 163 Ca 0.54 -0.47 -0.31 0.00 -1.03 0.00 0.00 54.13 52.86 2pka s LEU 163 Cb -0.11 -2.55 -0.07 0.00 0.03 0.00 0.00 46.19 43.49 2pka s LEU 163 CO 0.25 -0.78 1.24 -1.10 0.23 0.00 0.00 176.35 176.19 2pka s GLN 164 N -4.35 4.42 0.59 1.70 -0.21 -1.26 -4.25 119.66 116.29 2pka s GLN 164 Ca 0.55 1.87 0.30 0.00 0.02 0.00 0.00 55.36 58.09 2pka s GLN 164 Cb -0.09 -3.30 1.24 0.00 1.00 0.00 0.00 33.01 31.86 2pka s GLN 164 CO 0.33 -0.27 1.58 -0.91 -2.12 0.00 0.00 175.29 173.90 2pka h ASN 165 N 6.48 0.00 -0.23 5.90 -0.26 -1.95 0.72 115.58 126.23 2pka h ASN 165 Ca -0.42 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.30 2pka h ASN 165 Cb 1.21 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.46 2pka h ASN 165 CO 0.81 0.00 0.09 0.71 -1.06 0.00 0.00 177.43 177.98 2pka h THR 166 N 0.00 1.13 0.00 2.81 1.35 -1.97 -0.61 112.91 115.62 2pka h THR 166 Ca 0.43 -0.45 -0.04 0.00 -0.55 0.00 0.00 66.41 65.80 2pka h THR 166 Cb 2.30 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.53 2pka h THR 166 CO -0.00 0.16 -0.20 -0.26 -0.25 0.00 0.00 175.52 174.96 2pka h PHE 167 N 0.41 0.00 0.18 4.73 0.04 -1.22 -0.82 116.94 120.26 2pka h PHE 167 Ca 0.10 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.52 2pka h PHE 167 Cb 0.13 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.29 2pka h PHE 167 CO 0.00 0.20 -1.72 0.00 -0.60 0.00 0.00 178.31 176.20 2pka h ALA 169 N 0.17 1.76 0.07 0.00 0.00 -0.53 -1.23 119.26 119.50 2pka h ALA 169 Ca -0.33 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 2pka h ALA 169 Cb 2.09 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 19.73 2pka h ALA 169 CO 0.18 0.13 -0.62 0.22 0.00 0.00 0.00 179.25 179.16 2pka h ASP 170 N 0.66 0.41 0.21 0.00 -0.00 -1.26 -3.24 116.42 113.20 2pka h ASP 170 Ca 0.29 -0.89 -0.02 0.00 -0.00 0.00 0.00 57.03 56.41 2pka h ASP 170 Cb 0.28 -0.13 -0.00 0.00 -0.00 0.00 0.00 39.33 39.47 2pka h ASP 170 CO -0.09 1.26 -0.08 0.00 -0.00 0.00 0.00 179.24 180.34 2pka h ALA 171 N 0.16 1.41 -3.13 -0.78 0.00 -1.24 -3.43 119.26 112.26 2pka h ALA 171 Ca -0.10 -0.07 -0.67 0.00 0.00 0.00 0.00 54.91 54.08 2pka h ALA 171 Cb 1.42 -0.01 -0.32 0.00 0.00 0.00 0.00 17.79 18.88 2pka h ALA 171 CO 0.12 0.10 -0.78 -1.01 0.00 0.00 0.00 179.25 177.68 2pka s HIS 172 N -4.40 2.95 -0.88 0.00 3.76 -0.50 -4.98 115.29 111.23 2pka s HIS 172 Ca -0.04 -1.40 0.00 0.00 -0.15 0.00 0.00 55.06 53.47 2pka s HIS 172 Cb 0.14 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.80 2pka s HIS 172 CO 0.58 -0.70 0.81 -0.35 -0.85 0.00 0.00 174.74 174.23 2pka n PRO 173 N 4.69 0.00 -2.69 8.40 -0.05 -1.26 -4.65 135.00 139.44 2pka n PRO 173 Ca -0.18 0.33 -0.15 0.00 -0.05 0.00 0.00 63.50 63.44 2pka n PRO 173 Cb 0.49 -1.60 0.02 0.00 -0.05 0.00 0.00 33.50 32.36 2pka n PRO 173 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 2pka n ASP 174 N -1.31 1.80 -4.74 3.54 8.00 -1.26 -5.11 116.55 117.47 2pka n ASP 174 Ca 0.00 -2.13 -0.40 0.00 0.71 0.00 0.00 54.79 52.96 2pka n ASP 174 Cb 0.10 -0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.01 2pka n ASP 174 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2pka s LYS 175 N -3.59 4.60 -0.24 -1.24 1.02 -1.24 -4.93 119.74 114.13 2pka s LYS 175 Ca 0.29 1.25 0.02 0.00 0.02 0.00 0.00 55.97 57.55 2pka s LYS 175 Cb -0.02 -3.36 0.05 0.00 -0.52 0.00 0.00 37.83 33.98 2pka s LYS 175 CO 0.19 0.28 -0.10 0.08 -0.92 0.00 0.00 175.35 174.88 2pka s VAL 176 N -0.15 1.88 0.53 3.17 1.01 -1.26 -4.57 120.40 121.01 2pka s VAL 176 Ca 0.42 -1.37 0.06 0.00 0.00 0.00 0.00 61.98 61.09 2pka s VAL 176 Cb -0.22 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.18 2pka s VAL 176 CO 0.26 0.01 0.39 0.42 0.00 0.00 0.00 175.10 176.19 2pka s THR 177 N 1.25 1.74 0.45 3.92 -4.23 -1.26 -4.98 115.64 112.53 2pka s THR 177 Ca -0.06 -1.49 0.37 0.00 -1.18 0.00 0.00 61.69 59.33 2pka s THR 177 Cb -0.19 -2.23 0.39 0.00 1.34 0.00 0.00 72.50 71.82 2pka s THR 177 CO -0.06 0.00 2.19 1.05 -0.54 0.00 0.00 174.62 177.26 2pka h GLU 178 N 0.79 0.00 -0.60 3.99 9.09 -2.03 -1.71 114.58 124.11 2pka h GLU 178 Ca -0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.04 2pka h GLU 178 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 2pka h GLU 178 CO 0.58 0.03 0.00 -1.13 0.05 0.00 0.00 179.01 178.54 2pka n SER 179 N -3.27 3.29 -4.66 3.06 3.41 -1.26 -4.86 113.62 109.33 2pka n SER 179 Ca -0.02 -2.28 -0.23 0.00 -0.26 0.00 0.00 58.87 56.07 2pka n SER 179 Cb 0.17 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 63.59 2pka n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2pka s MET 180 N -1.73 2.25 0.04 4.33 -1.94 -0.65 -1.62 119.30 119.98 2pka s MET 180 Ca 0.34 -1.55 0.04 0.00 -1.71 0.00 0.00 55.69 52.81 2pka s MET 180 Cb 0.22 -2.10 -0.02 0.00 2.01 0.00 0.00 34.83 34.94 2pka s MET 180 CO 0.17 0.23 -0.12 -0.48 -0.01 0.00 0.00 175.02 174.80 2pka s LEU 181 N -3.73 2.18 -0.26 -0.03 0.05 0.13 -4.74 118.68 112.28 2pka s LEU 181 Ca 0.34 -0.46 -0.01 0.00 0.05 0.00 0.00 54.13 54.04 2pka s LEU 181 Cb -0.04 -0.50 0.03 0.00 -2.05 0.00 0.00 46.19 43.64 2pka s LEU 181 CO 0.20 -0.01 -0.05 0.00 -0.55 0.00 0.00 176.35 175.94 2pka s ALA 183 N 1.30 0.72 0.00 0.00 0.00 -0.96 -0.31 121.76 122.51 2pka s ALA 183 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2pka s ALA 183 Cb -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.91 2pka s ALA 183 CO -0.04 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.19 2pka n GLY 184 N 1.73 -1.55 2.79 0.00 0.00 -0.76 -1.49 105.19 105.92 2pka n GLY 184 Ca -0.20 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 2pka n GLY 184 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pka s TYR 184 N -2.07 2.26 0.27 1.61 6.04 -1.26 -1.97 117.35 122.22 2pka s TYR 184 Ca 0.00 -2.34 -0.10 0.00 0.04 0.00 0.00 57.07 54.67 2pka s TYR 184 Cb 0.00 -2.06 0.40 0.00 -1.04 0.00 0.00 41.96 39.26 2pka s TYR 184 CO 0.00 -0.84 1.56 -0.07 -1.54 0.00 0.00 175.55 174.66 2pka h LEU 185 N 7.32 -1.01 -0.71 6.97 3.38 -1.93 -0.84 115.31 128.49 2pka h LEU 185 Ca -0.06 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2pka h LEU 185 Cb 0.97 0.63 0.00 0.00 0.09 0.00 0.00 40.66 42.35 2pka h LEU 185 CO 0.50 -0.32 0.15 -2.65 0.09 0.00 0.00 178.44 176.22 2pka n PRO 186 N -5.59 0.07 0.00 1.13 -0.02 -1.26 0.12 135.00 129.45 2pka n PRO 186 Ca 0.14 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2pka n PRO 186 Cb 0.47 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2pka n PRO 186 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pka n GLY 187 N -1.32 0.05 0.00 -1.23 0.00 -0.32 -4.63 105.19 97.74 2pka n GLY 187 Ca -0.01 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.27 2pka n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pka n GLY 188 N 0.19 0.25 2.92 -0.02 0.00 0.16 -4.93 105.19 103.77 2pka n GLY 188 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2pka n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pka s LYS 188 N -1.00 1.11 -0.02 1.61 1.02 -1.26 -4.97 119.74 116.23 2pka s LYS 188 Ca 0.00 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.50 2pka s LYS 188 Cb 0.00 -1.05 0.11 0.00 -0.52 0.00 0.00 37.83 36.37 2pka s LYS 188 CO 0.00 -0.07 1.30 0.34 -0.92 0.00 0.00 175.35 175.99 2pka s ASP 189 N 0.95 -0.03 0.44 2.83 3.68 -1.26 -4.23 116.67 119.06 2pka s ASP 189 Ca -0.10 -0.16 0.03 0.00 2.13 0.00 0.00 52.55 54.44 2pka s ASP 189 Cb -0.15 0.15 0.00 0.00 -1.45 0.00 0.00 42.92 41.48 2pka s ASP 189 CO 0.00 -0.28 0.64 0.42 0.13 0.00 0.00 175.17 176.08 2pka s THR 190 N -2.22 3.67 0.35 1.71 -4.23 -1.26 -4.88 115.64 108.79 2pka s THR 190 Ca 0.21 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.95 2pka s THR 190 Cb 0.03 -3.33 0.02 0.00 1.34 0.00 0.00 72.50 70.56 2pka s THR 190 CO -0.03 -0.20 0.61 0.00 -0.54 0.00 0.00 174.62 174.46 2pka n MET 192 N -0.54 1.07 0.00 0.00 1.56 -1.26 -1.43 117.12 116.51 2pka n MET 192 Ca -0.03 0.39 0.00 0.00 -0.27 0.00 0.00 57.70 57.79 2pka n MET 192 Cb 0.61 -2.06 0.00 0.00 2.15 0.00 0.00 33.22 33.92 2pka n MET 192 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2pka n GLY 193 N 4.07 2.76 0.06 -5.12 0.00 -1.26 -1.20 105.19 104.50 2pka n GLY 193 Ca 0.26 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.41 2pka n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pka n ASP 194 N 0.00 0.53 -4.47 1.61 10.43 -0.52 -4.10 116.55 120.03 2pka n ASP 194 Ca 0.00 0.45 -0.52 0.00 2.57 0.00 0.00 54.79 57.29 2pka n ASP 194 Cb 0.00 -0.53 -0.05 0.00 1.84 0.00 0.00 41.12 42.38 2pka n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2pka n SER 195 N -1.97 -0.26 0.00 -2.24 7.64 -1.26 -1.95 113.62 113.59 2pka n SER 195 Ca 0.06 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.08 2pka n SER 195 Cb 0.40 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 2pka n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pka n GLY 196 N 1.79 2.82 3.76 0.23 0.00 0.33 -4.93 105.19 109.19 2pka n GLY 196 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2pka n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pka s GLY 197 N -1.64 1.64 0.42 -0.02 0.00 -0.82 -4.59 107.32 102.31 2pka s GLY 197 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 44.72 44.46 2pka s GLY 197 CO 0.00 0.42 1.26 2.56 0.00 0.00 0.00 173.10 177.34 2pka s PRO 198 N -4.98 3.90 -0.29 2.90 0.04 -1.26 -0.91 135.00 134.39 2pka s PRO 198 Ca 0.62 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.72 2pka s PRO 198 Cb -0.17 -2.66 0.07 0.00 0.04 0.00 0.00 34.50 31.79 2pka s PRO 198 CO 0.56 -0.51 -0.04 -1.17 0.04 0.00 0.00 177.00 175.88 2pka s LEU 199 N -2.60 3.92 -0.27 -3.56 2.96 -0.07 -3.48 118.68 115.57 2pka s LEU 199 Ca 0.59 -1.57 -0.05 0.00 -0.22 0.00 0.00 54.13 52.88 2pka s LEU 199 Cb -0.35 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 44.73 2pka s LEU 199 CO 0.45 -0.26 0.03 -0.63 -1.32 0.00 0.00 176.35 174.61 2pka s ILE 200 N 1.09 3.59 -0.17 6.68 1.01 -0.28 -1.00 121.20 132.12 2pka s ILE 200 Ca -0.03 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 2pka s ILE 200 Cb -0.20 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 2pka s ILE 200 CO -0.05 0.15 -0.03 0.00 0.00 0.00 0.00 174.94 175.01 2pka n ASN 202 N 3.74 -1.94 0.00 0.00 5.15 -0.81 -1.22 115.26 120.17 2pka n ASN 202 Ca -0.17 -0.81 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 2pka n ASN 202 Cb 0.52 -4.01 0.00 0.00 -0.53 0.00 0.00 39.78 35.76 2pka n ASN 202 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pka n GLY 203 N -1.62 0.53 3.04 8.20 0.00 -1.26 -4.99 105.19 109.10 2pka n GLY 203 Ca -0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 2pka n GLY 203 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2pka s MET 208 N -0.44 1.94 -0.04 1.61 0.00 -0.36 -5.09 119.30 116.93 2pka s MET 208 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 55.69 54.91 2pka s MET 208 Cb 0.00 -1.62 -0.07 0.00 0.00 0.00 0.00 34.83 33.14 2pka s MET 208 CO 0.00 0.00 1.92 -0.46 0.00 0.00 0.00 175.02 176.48 2pka s TRP 209 N 0.78 1.45 0.00 4.11 -0.00 -1.26 -0.50 118.94 123.51 2pka s TRP 209 Ca -0.12 -0.13 0.00 0.00 -0.00 0.00 0.00 56.10 55.86 2pka s TRP 209 Cb -0.16 -4.12 0.00 0.00 -0.00 0.00 0.00 33.47 29.19 2pka s TRP 209 CO 0.02 -4.86 0.00 0.94 -0.00 0.00 0.00 176.95 173.05 2pka n GLN 210 N 7.66 0.83 -4.34 5.86 -0.06 -0.90 -3.30 117.38 123.13 2pka n GLN 210 Ca 0.21 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 55.01 2pka n GLN 210 Cb 0.42 -0.78 -0.09 0.00 -4.06 0.00 0.00 30.24 25.74 2pka n GLN 210 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2pka s GLY 211 N -3.02 2.19 -0.04 1.69 0.00 -0.18 -1.94 107.32 106.03 2pka s GLY 211 Ca 0.00 -1.76 0.01 0.00 0.00 0.00 0.00 44.72 42.97 2pka s GLY 211 CO 0.00 -1.58 -0.03 -0.42 0.00 0.00 0.00 173.10 171.07 2pka s ILE 212 N -3.54 0.44 -0.15 0.90 1.01 -0.98 -0.89 121.20 117.99 2pka s ILE 212 Ca 0.35 -0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.61 2pka s ILE 212 Cb 0.04 -0.47 -0.09 0.00 0.01 0.00 0.00 42.46 41.95 2pka s ILE 212 CO 0.20 0.20 2.08 0.41 0.00 0.00 0.00 174.94 177.83 2pka n THR 213 N 3.96 0.47 0.00 2.92 -1.04 -0.08 -0.69 114.28 119.82 2pka n THR 213 Ca -0.25 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 2pka n THR 213 Cb 0.51 -2.20 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 2pka n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2pka n SER 214 N 9.29 0.00 -4.68 8.00 2.88 -0.61 -0.51 113.62 127.99 2pka n SER 214 Ca 0.28 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.53 2pka n SER 214 Cb 0.37 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.73 2pka n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2pka s TRP 215 N 0.96 2.34 -0.02 0.66 1.48 -1.00 -4.81 118.94 118.55 2pka s TRP 215 Ca 0.00 -0.73 -0.31 0.00 -1.06 0.00 0.00 56.10 54.00 2pka s TRP 215 Cb 0.00 -1.77 0.12 0.00 -1.16 0.00 0.00 33.47 30.66 2pka s TRP 215 CO 0.00 0.32 1.30 0.20 -4.06 0.00 0.00 176.95 174.71 2pka s GLY 216 N -3.80 -0.42 0.20 3.67 0.00 -1.26 -1.01 107.32 104.69 2pka s GLY 216 Ca 0.29 0.71 -0.25 0.00 0.00 0.00 0.00 44.72 45.47 2pka s GLY 216 CO 0.15 0.16 0.81 -1.58 0.00 0.00 0.00 173.10 172.64 2pka s HIS 217 N -2.39 3.87 -0.16 1.90 2.46 -1.26 -5.06 115.29 114.65 2pka s HIS 217 Ca 0.14 1.66 0.01 0.00 0.47 0.00 0.00 55.06 57.34 2pka s HIS 217 Cb 0.05 -2.79 0.01 0.00 -0.13 0.00 0.00 32.58 29.72 2pka s HIS 217 CO -0.04 0.46 -0.18 0.99 -2.47 0.00 0.00 174.74 173.50 2pka s THR 218 N -1.23 2.36 0.45 0.89 2.01 -1.26 -3.43 115.64 115.42 2pka s THR 218 Ca 0.38 -0.87 -0.25 0.00 0.31 0.00 0.00 61.69 61.27 2pka s THR 218 Cb -0.22 -1.98 -0.08 0.00 0.01 0.00 0.00 72.50 70.22 2pka s THR 218 CO 0.26 0.53 1.36 -2.16 -0.69 0.00 0.00 174.62 173.92 2pka s PRO 219 N 0.96 3.73 0.55 4.92 0.04 -1.26 -4.89 135.00 139.05 2pka s PRO 219 Ca -0.03 2.27 -0.16 0.00 0.04 0.00 0.00 61.00 63.12 2pka s PRO 219 Cb -0.15 -2.64 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 2pka s PRO 219 CO -0.04 -0.73 1.01 0.00 0.04 0.00 0.00 177.00 177.29 2pka n GLY 221 N -1.51 0.92 3.74 0.00 0.00 -1.26 -4.71 105.19 102.37 2pka n GLY 221 Ca 0.07 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 2pka n GLY 221 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pka s SER 221 N -2.75 6.83 0.28 1.61 0.15 -1.25 0.39 113.70 118.96 2pka s SER 221 Ca 0.00 2.50 -0.30 0.00 0.70 0.00 0.00 55.95 58.85 2pka s SER 221 Cb 0.00 -2.62 -0.12 0.00 -1.71 0.00 0.00 66.02 61.57 2pka s SER 221 CO 0.00 -0.56 1.58 0.00 1.20 0.00 0.00 173.24 175.45 2pka n ALA 222 N 2.30 2.33 -2.36 5.45 0.00 -1.26 -2.03 120.51 124.94 2pka n ALA 222 Ca 0.05 0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.72 2pka n ALA 222 Cb 0.42 -2.44 -0.01 0.00 0.00 0.00 0.00 19.45 17.42 2pka n ALA 222 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pka n ASN 223 N 2.33 -4.68 -3.63 0.00 3.02 0.12 -4.94 115.26 107.49 2pka n ASN 223 Ca 0.10 0.13 -0.27 0.00 -0.03 0.00 0.00 54.58 54.50 2pka n ASN 223 Cb 0.36 -3.95 -0.11 0.00 -0.61 0.00 0.00 39.78 35.47 2pka n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pka n LYS 224 N -2.83 1.20 -0.91 3.52 5.02 -0.86 -4.63 118.16 118.67 2pka n LYS 224 Ca -0.19 -3.93 -0.30 0.00 -2.02 0.00 0.00 58.31 51.87 2pka n LYS 224 Cb 0.63 -1.99 0.16 0.00 -0.02 0.00 0.00 35.03 33.81 2pka n LYS 224 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2pka s PRO 225 N -0.96 0.99 0.49 1.97 0.04 -1.26 -4.64 135.00 131.63 2pka s PRO 225 Ca 0.30 1.17 0.07 0.00 0.04 0.00 0.00 61.00 62.57 2pka s PRO 225 Cb 0.02 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.82 2pka s PRO 225 CO -0.17 -2.52 0.44 -1.12 0.04 0.00 0.00 177.00 173.67 2pka s SER 226 N -2.98 4.87 -0.16 6.66 0.01 -0.55 -4.74 113.70 116.81 2pka s SER 226 Ca 0.65 -0.97 -0.04 0.00 1.31 0.00 0.00 55.95 56.90 2pka s SER 226 Cb -0.21 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 2pka s SER 226 CO 0.58 -0.93 -0.03 -0.63 0.41 0.00 0.00 173.24 172.64 2pka s ILE 227 N -2.62 3.88 -0.09 1.44 1.09 -0.18 -2.27 121.20 122.44 2pka s ILE 227 Ca 0.44 -0.36 0.04 0.00 -1.10 0.00 0.00 60.65 59.68 2pka s ILE 227 Cb -0.03 -2.71 -0.00 0.00 -1.06 0.00 0.00 42.46 38.66 2pka s ILE 227 CO 0.27 0.49 -0.24 -0.31 -0.10 0.00 0.00 174.94 175.04 2pka s TYR 228 N 0.44 2.51 0.00 3.97 2.02 -0.93 -1.57 117.35 123.80 2pka s TYR 228 Ca -0.03 -0.96 -0.30 0.00 -0.37 0.00 0.00 57.07 55.41 2pka s TYR 228 Cb -0.14 -1.67 -0.07 0.00 -0.40 0.00 0.00 41.96 39.68 2pka s TYR 228 CO 0.03 -0.37 1.66 0.99 -1.57 0.00 0.00 175.55 176.29 2pka s THR 229 N 0.22 3.35 -0.92 -0.71 2.01 0.13 0.17 115.64 119.89 2pka s THR 229 Ca -0.15 0.60 -0.24 0.00 0.31 0.00 0.00 61.69 62.20 2pka s THR 229 Cb -0.17 -3.39 0.02 0.00 0.01 0.00 0.00 72.50 68.98 2pka s THR 229 CO 0.08 -0.03 1.56 -0.75 -0.69 0.00 0.00 174.62 174.79 2pka s LYS 230 N 3.46 3.22 0.43 4.92 2.20 -0.64 -2.32 119.74 131.01 2pka s LYS 230 Ca 0.74 -0.66 0.22 0.00 -0.36 0.00 0.00 55.97 55.91 2pka s LYS 230 Cb -0.36 -5.02 1.19 0.00 -1.51 0.00 0.00 37.83 32.13 2pka s LYS 230 CO 0.31 -2.50 1.79 -0.07 -0.36 0.00 0.00 175.35 174.52 2pka h LEU 231 N 14.25 0.35 -2.14 5.43 4.07 -1.71 -2.71 115.31 132.85 2pka h LEU 231 Ca 0.06 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 2pka h LEU 231 Cb 1.03 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.77 2pka h LEU 231 CO 1.34 0.07 -0.04 -0.29 -1.08 0.00 0.00 178.44 178.44 2pka h ILE 232 N 0.31 0.20 -0.07 1.22 -0.00 -1.89 -1.94 117.51 115.34 2pka h ILE 232 Ca 0.58 -0.35 -0.14 0.00 -0.00 0.00 0.00 64.86 64.95 2pka h ILE 232 Cb 1.62 1.28 -0.01 0.00 -0.00 0.00 0.00 36.82 39.71 2pka h ILE 232 CO -0.23 0.04 -0.58 0.15 -0.00 0.00 0.00 178.15 177.53 2pka h PHE 233 N 0.00 0.29 -0.54 2.19 3.57 -1.88 -3.23 116.94 117.35 2pka h PHE 233 Ca -0.00 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2pka h PHE 233 Cb 0.28 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2pka h PHE 233 CO 0.00 0.75 0.00 0.66 -2.23 0.00 0.00 178.31 177.49 2pka n TYR 234 N -3.89 0.71 -0.24 0.41 4.01 -0.74 -4.67 117.16 112.75 2pka n TYR 234 Ca -0.02 -0.48 0.05 0.00 -0.16 0.00 0.00 57.90 57.28 2pka n TYR 234 Cb 0.60 -0.01 0.16 0.00 -0.31 0.00 0.00 39.34 39.78 2pka n TYR 234 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2pka h LEU 235 N 3.24 -0.02 -0.41 7.72 3.38 -1.55 -1.54 115.31 126.13 2pka h LEU 235 Ca 0.00 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2pka h LEU 235 Cb 0.87 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2pka h LEU 235 CO 0.00 -0.04 0.13 0.44 0.09 0.00 0.00 178.44 179.06 2pka h ASP 236 N 0.25 0.60 -0.50 -0.43 3.45 -1.87 -1.19 116.42 116.73 2pka h ASP 236 Ca 0.39 -0.20 0.02 0.00 0.43 0.00 0.00 57.03 57.68 2pka h ASP 236 Cb 0.66 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.24 2pka h ASP 236 CO -0.50 0.64 0.30 -0.25 -1.57 0.00 0.00 179.24 177.86 2pka h TRP 237 N 0.53 0.57 -0.35 4.55 7.01 -1.73 0.11 115.95 126.63 2pka h TRP 237 Ca 0.13 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 2pka h TRP 237 Cb 0.25 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.11 2pka h TRP 237 CO 0.01 0.33 0.14 0.82 -2.79 0.00 0.00 178.44 176.95 2pka h ILE 238 N 0.60 1.19 0.00 2.65 2.04 -1.13 -0.51 117.51 122.35 2pka h ILE 238 Ca 0.20 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 2pka h ILE 238 Cb 0.01 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2pka h ILE 238 CO -0.09 0.20 -0.31 0.44 0.00 0.00 0.00 178.15 178.40 2pka h ASP 239 N 0.43 0.00 0.25 1.72 3.45 -0.97 -2.07 116.42 119.22 2pka h ASP 239 Ca 0.12 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.57 2pka h ASP 239 Cb 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 2pka h ASP 239 CO -0.01 0.31 -0.12 0.44 -1.57 0.00 0.00 179.24 178.29 2pka h ASP 240 N 0.00 -0.28 -0.65 6.45 3.45 -0.53 -2.37 116.42 122.49 2pka h ASP 240 Ca -0.00 -0.21 0.13 0.00 0.43 0.00 0.00 57.03 57.37 2pka h ASP 240 Cb 0.97 0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 39.78 2pka h ASP 240 CO 0.04 0.22 0.44 0.74 -1.57 0.00 0.00 179.24 179.11 2pka h THR 241 N -0.96 0.83 0.00 0.35 2.02 -1.04 0.21 112.91 114.32 2pka h THR 241 Ca -0.03 -0.12 -0.15 0.00 0.77 0.00 0.00 66.41 66.87 2pka h THR 241 Cb 0.48 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2pka h THR 241 CO 0.06 0.06 -0.73 0.40 0.37 0.00 0.00 175.52 175.68 2pka h ILE 242 N 0.35 1.39 -0.19 3.11 2.04 -1.44 -2.65 117.51 120.12 2pka h ILE 242 Ca 0.31 -2.63 -0.21 0.00 1.00 0.00 0.00 64.86 63.33 2pka h ILE 242 Cb 0.73 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 2pka h ILE 242 CO -0.08 0.72 -0.70 0.74 0.00 0.00 0.00 178.15 178.83 2pka h THR 243 N 0.00 1.29 -0.00 -0.27 2.02 -0.15 -3.25 112.91 112.55 2pka h THR 243 Ca -0.01 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 65.26 2pka h THR 243 Cb 1.42 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 2pka h THR 243 CO 0.10 0.61 -0.27 -0.62 0.37 0.00 0.00 175.52 175.70 2pka n GLU 244 N -3.95 0.16 -3.04 6.66 1.02 0.08 -4.43 120.64 117.15 2pka n GLU 244 Ca -0.06 -0.07 -0.25 0.00 -0.02 0.00 0.00 57.16 56.77 2pka n GLU 244 Cb 0.70 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.58 2pka n GLU 244 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2pka n ASN 245 N -1.36 3.45 -0.06 1.62 4.13 -1.01 -5.08 115.26 116.96 2pka n ASN 245 Ca 0.08 -3.48 0.16 0.00 1.68 0.00 0.00 54.58 53.01 2pka n ASN 245 Cb 0.33 -0.58 0.90 0.00 -1.54 0.00 0.00 39.78 38.88 2pka n ASN 245 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73