#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 0.85 0.00 0.00 2.03 -1.26 -4.99 116.55 113.18 2pka n ASP 95 Ca 0.00 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.66 2pka n ASP 95 Cb 0.00 1.23 0.00 0.00 -0.72 0.00 0.00 41.12 41.63 2pka n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pka n GLY 96 N 1.43 0.33 1.76 0.27 0.00 -1.26 -3.83 105.19 103.90 2pka n GLY 96 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 1.36 -3.58 1.61 0.00 -1.26 -5.01 118.16 111.29 2pka n LYS 97 Ca 0.00 -3.02 -0.39 0.00 -0.00 0.00 0.00 58.31 54.90 2pka n LYS 97 Cb 0.00 -1.13 -0.06 0.00 -0.00 0.00 0.00 35.03 33.84 2pka n LYS 97 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2pka s ASP 98 N -3.00 5.94 0.00 -5.58 3.68 -1.25 -0.49 116.67 115.97 2pka s ASP 98 Ca 0.36 -3.13 0.00 0.00 2.13 0.00 0.00 52.55 51.91 2pka s ASP 98 Cb 0.37 -1.98 0.00 0.00 -1.45 0.00 0.00 42.92 39.86 2pka s ASP 98 CO -0.08 -0.35 0.71 -1.22 0.13 0.00 0.00 175.17 174.35 2pka n TYR 99 N 3.20 0.00 -2.40 -5.34 4.02 -1.26 -4.86 117.16 110.52 2pka n TYR 99 Ca 0.14 -0.30 -0.34 0.00 -0.01 0.00 0.00 57.90 57.39 2pka n TYR 99 Cb 0.40 -0.19 -0.02 0.00 -0.02 0.00 0.00 39.34 39.51 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 0.70 6.12 -0.67 7.72 0.01 -1.26 -3.92 113.70 122.40 2pka s SER 100 Ca 0.00 1.95 0.00 0.00 1.31 0.00 0.00 55.95 59.21 2pka s SER 100 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2pka s SER 100 CO 0.00 -0.94 0.00 1.41 0.41 0.00 0.00 173.24 174.12 2pka n HIS 101 N -1.23 -0.23 -1.39 2.43 8.25 -1.26 -4.94 115.22 116.84 2pka n HIS 101 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 2pka n HIS 101 Cb 0.52 -1.87 -0.03 0.00 1.12 0.00 0.00 29.99 29.73 2pka n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2pka n ASP 102 N 0.69 3.45 -3.77 0.41 2.03 -1.25 -4.82 116.55 113.28 2pka n ASP 102 Ca -0.08 -2.73 -0.13 0.00 0.52 0.00 0.00 54.79 52.37 2pka n ASP 102 Cb 0.46 -1.37 -0.13 0.00 -0.72 0.00 0.00 41.12 39.36 2pka n ASP 102 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2pka s LEU 103 N 1.53 0.93 -0.14 -2.67 2.96 -1.26 -4.82 118.68 115.21 2pka s LEU 103 Ca 0.52 0.39 -0.10 0.00 -0.22 0.00 0.00 54.13 54.72 2pka s LEU 103 Cb 0.14 0.58 0.04 0.00 0.50 0.00 0.00 46.19 47.46 2pka s LEU 103 CO 0.01 -0.11 0.35 -0.32 -1.32 0.00 0.00 176.35 174.96 2pka s MET 104 N 0.68 0.36 -0.05 1.98 -2.45 -1.26 -5.15 119.30 113.42 2pka s MET 104 Ca -0.05 0.60 -0.15 0.00 -1.25 0.00 0.00 55.69 54.84 2pka s MET 104 Cb -0.06 0.06 -0.05 0.00 1.25 0.00 0.00 34.83 36.03 2pka s MET 104 CO -0.04 -0.11 0.40 -0.51 1.05 0.00 0.00 175.02 175.82 2pka s LEU 105 N 0.81 4.40 -0.21 4.11 1.43 -1.26 -5.09 118.68 122.87 2pka s LEU 105 Ca -0.05 0.87 -0.00 0.00 -1.03 0.00 0.00 54.13 53.92 2pka s LEU 105 Cb -0.06 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.61 2pka s LEU 105 CO -0.06 0.23 -0.13 -0.76 0.23 0.00 0.00 176.35 175.86 2pka s LEU 106 N -0.53 2.67 -0.54 1.79 1.02 -1.26 -5.09 118.68 116.74 2pka s LEU 106 Ca 0.23 -0.75 -0.24 0.00 0.02 0.00 0.00 54.13 53.39 2pka s LEU 106 Cb -0.16 -1.58 0.04 0.00 0.02 0.00 0.00 46.19 44.51 2pka s LEU 106 CO 0.11 -0.06 0.94 -0.60 0.02 0.00 0.00 176.35 176.77 2pka s ARG 107 N 1.31 3.37 0.22 1.70 6.06 -1.26 -5.04 118.95 125.31 2pka s ARG 107 Ca 0.02 -0.19 -0.30 0.00 -2.50 0.00 0.00 55.73 52.76 2pka s ARG 107 Cb -0.15 -4.03 -0.10 0.00 0.06 0.00 0.00 34.95 30.73 2pka s ARG 107 CO -0.08 -1.45 1.45 -0.51 -2.50 0.00 0.00 175.30 172.21 2pka s LEU 108 N 3.93 4.38 0.11 -0.88 1.43 -1.26 -4.91 118.68 121.49 2pka s LEU 108 Ca 0.32 2.62 0.10 0.00 -1.03 0.00 0.00 54.13 56.13 2pka s LEU 108 Cb -0.12 -3.62 0.49 0.00 0.03 0.00 0.00 46.19 42.97 2pka s LEU 108 CO 0.20 -0.71 1.31 1.67 0.23 0.00 0.00 176.35 179.05 2pka n GLN 109 N 2.72 0.05 -3.59 1.70 0.00 -1.26 -4.52 117.38 112.48 2pka n GLN 109 Ca 0.08 0.49 -0.14 0.00 -0.00 0.00 0.00 57.00 57.43 2pka n GLN 109 Cb 0.40 -1.65 -0.07 0.00 0.00 0.00 0.00 30.24 28.92 2pka n GLN 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2pka s SER 110 N -3.38 -0.66 0.45 1.69 0.15 -1.26 -5.16 113.70 105.54 2pka s SER 110 Ca 0.01 1.09 -0.25 0.00 0.70 0.00 0.00 55.95 57.49 2pka s SER 110 Cb 0.04 1.04 -0.08 0.00 -1.71 0.00 0.00 66.02 65.30 2pka s SER 110 CO 0.13 -0.35 1.44 -2.65 1.20 0.00 0.00 173.24 173.00 2pka n PRO 111 N 1.96 2.26 -2.36 5.44 -0.02 -1.26 -4.98 135.00 136.04 2pka n PRO 111 Ca -0.15 0.81 -0.37 0.00 -2.02 0.00 0.00 63.50 61.77 2pka n PRO 111 Cb 0.56 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.38 2pka n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pka s ALA 112 N -1.19 2.98 -0.27 3.55 0.00 -1.26 -5.01 121.76 120.56 2pka s ALA 112 Ca 0.61 0.84 -0.23 0.00 0.00 0.00 0.00 51.96 53.18 2pka s ALA 112 Cb -0.45 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.33 2pka s ALA 112 CO 0.57 -0.51 0.75 0.21 0.00 0.00 0.00 175.76 176.78 2pka s LYS 113 N -2.71 4.07 -0.36 0.00 2.20 -1.26 -4.99 119.74 116.69 2pka s LYS 113 Ca 0.63 0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 56.62 2pka s LYS 113 Cb -0.26 -3.68 0.01 0.00 -1.51 0.00 0.00 37.83 32.39 2pka s LYS 113 CO 0.31 -0.55 1.32 0.42 -0.36 0.00 0.00 175.35 176.49 2pka s ILE 114 N 2.77 4.07 0.00 5.43 -1.09 -1.26 -4.78 121.20 126.34 2pka s ILE 114 Ca 0.31 1.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.88 2pka s ILE 114 Cb -0.15 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.50 2pka s ILE 114 CO 0.10 -0.64 0.00 0.35 -1.23 0.00 0.00 174.94 173.51 2pka n THR 115 N 6.60 0.00 0.22 2.92 -2.24 -0.59 -4.97 114.28 116.21 2pka n THR 115 Ca 0.15 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.99 2pka n THR 115 Cb 0.47 -0.12 0.50 0.00 -2.10 0.00 0.00 70.33 69.08 2pka n THR 115 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2pka h ASP 116 N 0.00 0.00 0.78 3.42 3.04 -2.04 -2.78 116.42 118.85 2pka h ASP 116 Ca 0.00 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.63 2pka h ASP 116 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 2pka h ASP 116 CO 0.00 0.26 -1.32 0.00 -2.04 0.00 0.00 179.24 176.14 2pka h ALA 117 N 1.74 0.65 -3.23 4.15 0.00 -1.96 -3.45 119.26 117.17 2pka h ALA 117 Ca -0.00 -0.80 -0.60 0.00 0.00 0.00 0.00 54.91 53.50 2pka h ALA 117 Cb 0.52 0.24 -0.40 0.00 0.00 0.00 0.00 17.79 18.15 2pka h ALA 117 CO 0.03 0.89 -0.75 0.08 0.00 0.00 0.00 179.25 179.50 2pka s VAL 118 N -2.93 1.20 0.12 0.00 1.01 -1.05 -5.12 120.40 113.63 2pka s VAL 118 Ca -0.02 -1.72 0.05 0.00 0.00 0.00 0.00 61.98 60.29 2pka s VAL 118 Cb 0.09 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2pka s VAL 118 CO 0.80 -0.69 -0.11 -0.54 0.00 0.00 0.00 175.10 174.56 2pka s LYS 119 N 1.33 0.96 0.04 2.72 1.02 -1.26 -1.55 119.74 123.01 2pka s LYS 119 Ca 0.11 -1.26 -0.20 0.00 0.02 0.00 0.00 55.97 54.64 2pka s LYS 119 Cb -0.18 -0.68 -0.06 0.00 -0.52 0.00 0.00 37.83 36.38 2pka s LYS 119 CO -0.19 0.11 0.59 0.08 -0.92 0.00 0.00 175.35 175.02 2pka s VAL 120 N -2.56 4.80 -0.18 3.17 1.01 -1.26 -5.07 120.40 120.30 2pka s VAL 120 Ca 0.09 1.25 -0.20 0.00 0.00 0.00 0.00 61.98 63.13 2pka s VAL 120 Cb -0.02 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2pka s VAL 120 CO 0.01 0.49 0.57 -0.22 0.00 0.00 0.00 175.10 175.95 2pka s LEU 121 N -0.71 4.17 0.33 3.92 0.20 -1.26 -5.07 118.68 120.26 2pka s LEU 121 Ca 0.30 0.78 -0.27 0.00 0.69 0.00 0.00 54.13 55.63 2pka s LEU 121 Cb -0.19 -2.80 -0.09 0.00 -0.43 0.00 0.00 46.19 42.68 2pka s LEU 121 CO 0.19 -0.20 1.05 -1.61 -0.29 0.00 0.00 176.35 175.49 2pka s GLU 122 N 1.61 4.47 0.70 1.98 8.01 -1.26 -5.03 118.70 129.18 2pka s GLU 122 Ca 0.27 1.63 -0.16 0.00 0.01 0.00 0.00 54.97 56.72 2pka s GLU 122 Cb -0.16 -2.91 0.02 0.00 -4.31 0.00 0.00 34.13 26.77 2pka s GLU 122 CO 0.10 0.10 1.21 -0.51 0.01 0.00 0.00 175.26 176.17 2pka s LEU 123 N -1.94 3.38 0.76 1.80 1.02 -1.26 -4.41 118.68 118.03 2pka s LEU 123 Ca 0.50 2.35 -0.13 0.00 0.02 0.00 0.00 54.13 56.87 2pka s LEU 123 Cb -0.27 -4.59 0.06 0.00 0.02 0.00 0.00 46.19 41.41 2pka s LEU 123 CO 0.34 -2.12 1.14 -2.16 0.02 0.00 0.00 176.35 173.57 2pka s PRO 124 N -3.82 2.08 -0.00 1.29 0.04 -1.22 -4.91 135.00 128.45 2pka s PRO 124 Ca 0.75 1.48 0.01 0.00 0.04 0.00 0.00 61.00 63.28 2pka s PRO 124 Cb -0.29 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 2pka s PRO 124 CO 0.43 -1.83 0.02 0.25 0.04 0.00 0.00 177.00 175.92 2pka n THR 125 N -3.17 0.02 -4.55 1.26 -2.24 -1.26 -4.92 114.28 99.42 2pka n THR 125 Ca 0.11 -0.03 -0.26 0.00 -2.27 0.00 0.00 64.05 61.60 2pka n THR 125 Cb 0.52 0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.85 0.22 -0.78 -0.21 -1.26 -5.16 119.66 112.26 2pka s GLN 127 Ca -0.00 -2.07 -0.07 0.00 0.02 0.00 0.00 55.36 53.23 2pka s GLN 127 Cb 0.01 -1.14 -0.06 0.00 1.00 0.00 0.00 33.01 32.81 2pka s GLN 127 CO 0.05 -0.21 0.50 -1.83 -2.12 0.00 0.00 175.29 171.68 2pka s GLU 128 N -3.81 3.70 0.74 2.91 -1.05 -1.26 -5.01 118.70 114.91 2pka s GLU 128 Ca 0.30 0.09 -0.11 0.00 -0.15 0.00 0.00 54.97 55.10 2pka s GLU 128 Cb 0.07 -2.70 0.04 0.00 -0.44 0.00 0.00 34.13 31.10 2pka s GLU 128 CO 0.14 0.33 1.09 -1.25 0.95 0.00 0.00 175.26 176.52 2pka s PRO 129 N -3.01 2.45 0.29 -4.83 0.04 -1.26 -5.04 135.00 123.65 2pka s PRO 129 Ca 0.45 1.18 -0.24 0.00 0.04 0.00 0.00 61.00 62.43 2pka s PRO 129 Cb -0.11 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 2pka s PRO 129 CO 0.25 -1.49 0.88 -1.21 0.04 0.00 0.00 177.00 175.46 2pka s GLU 130 N -4.76 4.47 0.15 4.56 2.02 -1.26 -4.99 118.70 118.89 2pka s GLU 130 Ca 0.62 1.18 -0.33 0.00 0.02 0.00 0.00 54.97 56.45 2pka s GLU 130 Cb -0.17 -2.81 -0.13 0.00 0.10 0.00 0.00 34.13 31.11 2pka s GLU 130 CO 0.53 0.31 1.63 1.28 0.02 0.00 0.00 175.26 179.03 2pka n LEU 132 N 0.59 3.31 -0.11 1.80 4.77 -1.26 -0.42 117.00 125.68 2pka n LEU 132 Ca 0.01 1.07 -0.01 0.00 -0.03 0.00 0.00 56.01 57.04 2pka n LEU 132 Cb 0.50 -1.45 -0.01 0.00 -2.33 0.00 0.00 43.42 40.13 2pka n LEU 132 CO 0.44 -0.18 -0.01 0.61 -1.33 0.00 0.00 177.39 176.92 2pka n GLY 133 N 3.60 0.51 3.72 -0.72 0.00 0.85 -5.00 105.19 108.13 2pka n GLY 133 Ca 0.17 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 2pka n GLY 133 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pka n SER 134 N 0.41 2.41 -4.64 1.61 7.64 0.44 -4.63 113.62 116.86 2pka n SER 134 Ca -0.01 0.98 -0.42 0.00 1.01 0.00 0.00 58.87 60.43 2pka n SER 134 Cb 0.10 -1.54 -0.04 0.00 -1.01 0.00 0.00 64.21 61.72 2pka n SER 134 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2pka s THR 135 N -1.30 4.81 0.11 0.44 2.01 -1.26 -0.44 115.64 120.01 2pka s THR 135 Ca 0.70 1.53 0.06 0.00 0.31 0.00 0.00 61.69 64.30 2pka s THR 135 Cb -0.44 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 2pka s THR 135 CO 0.51 -0.12 -0.05 0.00 -0.69 0.00 0.00 174.62 174.27 2pka s GLU 137 N -2.36 2.36 0.01 0.00 2.12 -0.00 0.26 118.70 121.09 2pka s GLU 137 Ca 0.24 -0.86 0.08 0.00 0.36 0.00 0.00 54.97 54.78 2pka s GLU 137 Cb -0.11 -2.17 -0.02 0.00 0.26 0.00 0.00 34.13 32.09 2pka s GLU 137 CO 0.16 0.51 -0.23 0.00 -0.54 0.00 0.00 175.26 175.17 2pka s ALA 138 N -0.48 1.93 0.23 6.30 0.00 -0.17 -0.96 121.76 128.61 2pka s ALA 138 Ca 0.06 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 51.04 2pka s ALA 138 Cb -0.11 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 2pka s ALA 138 CO 0.01 0.46 -0.12 -1.54 0.00 0.00 0.00 175.76 174.57 2pka s SER 139 N -0.83 2.68 0.00 0.00 1.04 -1.25 -0.65 113.70 114.68 2pka s SER 139 Ca 0.09 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.45 2pka s SER 139 Cb -0.09 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.88 2pka s SER 139 CO 0.00 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2pka n GLY 140 N -0.45 1.78 0.90 7.32 0.00 -0.11 -4.64 105.19 109.98 2pka n GLY 140 Ca -0.07 -1.00 0.08 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.76 0.94 -2.44 1.61 8.01 -1.26 -0.91 117.44 122.62 2pka n TRP 141 Ca 0.00 -0.93 -0.24 0.00 -1.31 0.00 0.00 57.50 55.02 2pka n TRP 141 Cb 0.00 -0.33 0.07 0.00 -2.01 0.00 0.00 31.31 29.04 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 -1.99 1.76 0.48 6.99 0.00 -1.26 -4.38 107.32 108.93 2pka s GLY 142 Ca 0.42 -1.27 -0.24 0.00 0.00 0.00 0.00 44.72 43.63 2pka s GLY 142 CO 0.08 -0.86 1.36 -1.35 0.00 0.00 0.00 173.10 172.33 2pka s SER 143 N -4.55 5.70 0.00 1.64 1.04 0.13 -4.48 113.70 113.19 2pka s SER 143 Ca 0.61 2.78 0.27 0.00 0.48 0.00 0.00 55.95 60.09 2pka s SER 143 Cb -0.09 -2.64 0.83 0.00 0.10 0.00 0.00 66.02 64.22 2pka s SER 143 CO 0.42 -1.28 1.62 2.30 0.98 0.00 0.00 173.24 177.29 2pka n ILE 144 N -0.52 0.00 -4.87 -1.02 -5.35 0.10 -4.63 119.36 103.08 2pka n ILE 144 Ca 0.07 -0.27 -0.26 0.00 -0.27 0.00 0.00 62.75 62.02 2pka n ILE 144 Cb 0.44 0.66 -0.15 0.00 -1.74 0.00 0.00 39.64 38.84 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 -2.11 1.55 0.40 6.28 0.41 -1.25 -4.93 118.70 119.05 2pka s GLU 145 Ca 0.33 -0.78 0.09 0.00 -0.41 0.00 0.00 54.97 54.20 2pka s GLU 145 Cb 0.20 -1.54 0.86 0.00 -1.78 0.00 0.00 34.13 31.87 2pka s GLU 145 CO 0.37 0.41 1.98 -1.35 -0.49 0.00 0.00 175.26 176.19 2pka h PRO 146 N 5.41 0.58 0.00 0.39 0.11 -1.81 -3.40 132.00 133.29 2pka h PRO 146 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2pka h PRO 146 Cb 1.15 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2pka h PRO 146 CO 0.47 0.38 0.00 0.41 -0.21 0.00 0.00 178.00 179.05 2pka n GLY 147 N -1.48 -0.79 0.55 -0.55 0.00 -1.26 -1.31 105.19 100.36 2pka n GLY 147 Ca 0.09 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 0.21 -0.01 1.61 -0.04 -1.26 -4.61 135.00 130.90 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 -1.14 -0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.45 0.00 -4.63 3.54 10.43 -1.26 -5.09 116.55 119.98 2pka n ASP 148 Ca 0.00 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.00 2pka n ASP 148 Cb 0.06 -0.00 -0.10 0.00 1.84 0.00 0.00 41.12 42.92 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 0.04 3.28 -0.15 1.24 0.08 -1.26 -4.31 117.98 116.90 2pka s PHE 149 Ca 0.01 0.14 -0.01 0.00 0.12 0.00 0.00 56.93 57.18 2pka s PHE 149 Cb -0.01 -2.25 -0.02 0.00 -0.57 0.00 0.00 43.02 40.18 2pka s PHE 149 CO 0.00 0.03 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.84 2pka s GLU 150 N 1.05 3.44 -0.20 0.44 2.02 -1.26 -4.95 118.70 119.23 2pka s GLU 150 Ca 0.07 -0.65 -0.12 0.00 0.02 0.00 0.00 54.97 54.29 2pka s GLU 150 Cb -0.14 -2.74 -0.05 0.00 0.10 0.00 0.00 34.13 31.31 2pka s GLU 150 CO 0.04 0.16 0.23 -0.06 0.02 0.00 0.00 175.26 175.66 2pka s PHE 151 N 0.51 3.40 0.43 1.61 0.08 -1.26 0.02 117.98 122.76 2pka s PHE 151 Ca -0.07 0.44 -0.23 0.00 0.12 0.00 0.00 56.93 57.18 2pka s PHE 151 Cb -0.15 -2.30 -0.08 0.00 -0.57 0.00 0.00 43.02 39.91 2pka s PHE 151 CO 0.04 0.18 1.09 -1.25 -0.10 0.00 0.00 175.22 175.17 2pka s PRO 152 N 0.70 4.00 0.17 0.24 0.04 -1.26 -4.97 135.00 133.93 2pka s PRO 152 Ca 0.12 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.72 2pka s PRO 152 Cb -0.13 -2.46 0.05 0.00 0.04 0.00 0.00 34.50 32.00 2pka s PRO 152 CO 0.03 -0.30 1.44 -0.44 0.04 0.00 0.00 177.00 177.77 2pka h ASP 153 N 2.28 0.54 -2.88 6.66 3.45 -1.98 -3.45 116.42 121.04 2pka h ASP 153 Ca -0.49 -0.34 -0.63 0.00 0.43 0.00 0.00 57.03 56.00 2pka h ASP 153 Cb 1.23 -0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 39.79 2pka h ASP 153 CO 0.61 1.08 -0.43 -1.83 -1.57 0.00 0.00 179.24 177.10 2pka s GLU 154 N -3.70 3.51 -0.14 3.56 1.03 -1.26 -5.05 118.70 116.66 2pka s GLU 154 Ca -0.06 -0.20 -0.29 0.00 0.03 0.00 0.00 54.97 54.44 2pka s GLU 154 Cb 0.10 -3.07 -0.03 0.00 -0.80 0.00 0.00 34.13 30.34 2pka s GLU 154 CO 0.84 0.65 1.42 -1.50 -1.33 0.00 0.00 175.26 175.34 2pka s ILE 155 N -1.34 4.00 -0.13 1.83 2.07 -1.26 -4.82 121.20 121.55 2pka s ILE 155 Ca 0.29 1.20 -0.14 0.00 -1.41 0.00 0.00 60.65 60.59 2pka s ILE 155 Cb -0.13 -3.81 -0.05 0.00 0.13 0.00 0.00 42.46 38.61 2pka s ILE 155 CO 0.18 -0.14 0.32 -1.58 -1.91 0.00 0.00 174.94 171.81 2pka s GLN 156 N 3.80 4.14 -0.06 3.50 2.00 -0.09 -4.88 119.66 128.07 2pka s GLN 156 Ca 0.62 0.16 0.04 0.00 -2.00 0.00 0.00 55.36 54.18 2pka s GLN 156 Cb -0.25 -3.37 -0.02 0.00 0.80 0.00 0.00 33.01 30.16 2pka s GLN 156 CO 0.21 0.35 -0.16 0.00 -0.50 0.00 0.00 175.29 175.19 2pka s VAL 158 N -0.49 0.08 -0.19 0.00 0.11 0.17 -5.00 120.40 115.09 2pka s VAL 158 Ca 0.06 -0.66 -0.14 0.00 -2.93 0.00 0.00 61.98 58.31 2pka s VAL 158 Cb -0.12 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 2pka s VAL 158 CO 0.02 -0.36 0.32 -1.10 -3.33 0.00 0.00 175.10 170.64 2pka s GLN 159 N -1.09 4.20 0.37 1.54 -0.21 -1.26 -1.00 119.66 122.21 2pka s GLN 159 Ca -0.12 0.09 0.09 0.00 0.02 0.00 0.00 55.36 55.44 2pka s GLN 159 Cb -0.07 -3.48 -0.07 0.00 1.00 0.00 0.00 33.01 30.38 2pka s GLN 159 CO -0.00 0.11 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.72 2pka s LEU 160 N 0.87 2.81 -0.09 2.90 1.43 0.14 -4.93 118.68 121.80 2pka s LEU 160 Ca 0.16 -1.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.05 2pka s LEU 160 Cb -0.14 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.09 2pka s LEU 160 CO 0.06 -0.30 -0.21 -0.89 0.23 0.00 0.00 176.35 175.24 2pka s THR 161 N -2.64 1.82 -0.31 5.49 2.01 -0.47 -0.15 115.64 121.39 2pka s THR 161 Ca 0.34 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 61.17 2pka s THR 161 Cb 0.05 -1.59 0.00 0.00 0.01 0.00 0.00 72.50 70.97 2pka s THR 161 CO 0.17 0.51 1.32 -0.22 -0.69 0.00 0.00 174.62 175.71 2pka s LEU 162 N 0.42 3.84 0.32 4.42 2.96 0.42 -0.83 118.68 130.22 2pka s LEU 162 Ca -0.18 1.16 0.07 0.00 -0.22 0.00 0.00 54.13 54.97 2pka s LEU 162 Cb -0.17 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 2pka s LEU 162 CO 0.08 -1.13 0.32 -0.76 -1.32 0.00 0.00 176.35 173.54 2pka s LEU 163 N 4.52 3.72 0.16 -0.68 1.43 0.33 -0.11 118.68 128.06 2pka s LEU 163 Ca 0.57 -0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 52.99 2pka s LEU 163 Cb -0.16 -2.36 -0.07 0.00 0.03 0.00 0.00 46.19 43.63 2pka s LEU 163 CO 0.24 -0.32 0.93 0.00 0.23 0.00 0.00 176.35 177.43 2pka s GLN 164 N -4.01 4.74 0.49 1.70 -2.07 -1.26 -4.10 119.66 115.16 2pka s GLN 164 Ca 0.40 1.42 0.44 0.00 -1.82 0.00 0.00 55.36 55.80 2pka s GLN 164 Cb -0.07 -3.33 1.57 0.00 -1.09 0.00 0.00 33.01 30.09 2pka s GLN 164 CO 0.27 0.37 1.44 0.09 -1.32 0.00 0.00 175.29 176.14 2pka n ASN 165 N 2.18 0.03 0.27 12.60 5.03 -1.26 -0.55 115.26 133.57 2pka n ASN 165 Ca -0.00 0.98 0.15 0.00 0.87 0.00 0.00 54.58 56.58 2pka n ASN 165 Cb 0.48 -0.49 0.72 0.00 -1.02 0.00 0.00 39.78 39.47 2pka n ASN 165 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pka h THR 166 N 0.00 0.30 0.00 3.41 1.03 -1.96 0.21 112.91 115.90 2pka h THR 166 Ca 0.86 -0.60 -0.10 0.00 -0.01 0.00 0.00 66.41 66.56 2pka h THR 166 Cb 3.35 1.46 -0.01 0.00 -1.07 0.00 0.00 68.15 71.87 2pka h THR 166 CO -0.08 0.09 -0.48 -0.26 -0.01 0.00 0.00 175.52 174.78 2pka h PHE 167 N 0.00 0.00 0.14 0.00 -1.00 -1.19 0.18 116.94 115.07 2pka h PHE 167 Ca -0.00 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.45 2pka h PHE 167 Cb 0.45 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.00 2pka h PHE 167 CO 0.00 0.48 -1.66 0.00 -1.61 0.00 0.00 178.31 175.51 2pka h ALA 169 N 0.35 0.62 -0.25 0.00 0.00 -0.32 -0.97 119.26 118.68 2pka h ALA 169 Ca -0.30 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2pka h ALA 169 Cb 2.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 2pka h ALA 169 CO 0.16 -0.09 -0.17 0.22 0.00 0.00 0.00 179.25 179.37 2pka h ASP 170 N 0.50 0.42 1.22 0.00 1.82 -0.76 -3.25 116.42 116.36 2pka h ASP 170 Ca 0.21 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 2pka h ASP 170 Cb 0.10 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.00 2pka h ASP 170 CO -0.14 0.61 -0.66 0.00 -1.61 0.00 0.00 179.24 177.45 2pka h ALA 171 N 1.43 0.65 -3.63 -0.78 0.00 -1.11 -3.48 119.26 112.34 2pka h ALA 171 Ca 0.07 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.51 2pka h ALA 171 Cb 0.53 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.09 2pka h ALA 171 CO 0.03 0.00 -0.80 -1.01 0.00 0.00 0.00 179.25 177.48 2pka s HIS 172 N -3.28 1.39 0.09 0.00 3.76 -0.58 -4.98 115.29 111.69 2pka s HIS 172 Ca 0.03 -0.41 0.29 0.00 -0.15 0.00 0.00 55.06 54.82 2pka s HIS 172 Cb 0.09 -0.79 1.12 0.00 1.11 0.00 0.00 32.58 34.11 2pka s HIS 172 CO 0.74 0.08 1.90 -1.00 -0.85 0.00 0.00 174.74 175.61 2pka h PRO 173 N 4.51 0.00 -6.81 8.40 0.13 -1.90 -3.46 132.00 132.88 2pka h PRO 173 Ca -0.41 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.23 2pka h PRO 173 Cb 1.18 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.34 2pka h PRO 173 CO 0.42 0.10 0.01 -0.51 -0.23 0.00 0.00 178.00 177.78 2pka s ASP 174 N -5.94 6.21 -0.21 1.44 1.01 -1.26 -5.02 116.67 112.89 2pka s ASP 174 Ca 0.01 0.73 -0.29 0.00 0.71 0.00 0.00 52.55 53.71 2pka s ASP 174 Cb 0.09 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 2pka s ASP 174 CO 0.59 -0.53 1.27 -0.75 0.21 0.00 0.00 175.17 175.96 2pka s LYS 175 N -4.62 4.13 -0.46 8.23 2.20 0.36 -4.93 119.74 124.64 2pka s LYS 175 Ca 0.46 1.51 -0.12 0.00 -0.36 0.00 0.00 55.97 57.46 2pka s LYS 175 Cb -0.10 -3.80 0.10 0.00 -1.51 0.00 0.00 37.83 32.52 2pka s LYS 175 CO 0.42 -0.84 0.35 0.08 -0.36 0.00 0.00 175.35 174.99 2pka s VAL 176 N 3.79 4.61 0.59 4.02 1.01 -1.26 -4.63 120.40 128.52 2pka s VAL 176 Ca 0.55 -1.44 0.06 0.00 0.00 0.00 0.00 61.98 61.15 2pka s VAL 176 Cb -0.20 -3.88 0.09 0.00 0.00 0.00 0.00 36.38 32.39 2pka s VAL 176 CO 0.17 -0.65 0.82 0.42 0.00 0.00 0.00 175.10 175.86 2pka s THR 177 N 1.49 2.27 0.41 3.92 -4.23 -1.26 -4.96 115.64 113.27 2pka s THR 177 Ca 0.04 -0.88 0.09 0.00 -1.18 0.00 0.00 61.69 59.76 2pka s THR 177 Cb -0.25 -2.39 0.22 0.00 1.34 0.00 0.00 72.50 71.41 2pka s THR 177 CO 0.03 0.00 2.01 -0.33 -0.54 0.00 0.00 174.62 175.78 2pka h GLU 178 N 0.04 0.34 -0.93 3.99 5.08 -2.03 -3.01 114.58 118.06 2pka h GLU 178 Ca -0.33 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.94 2pka h GLU 178 Cb 1.28 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 2pka h GLU 178 CO 0.42 0.32 0.05 -1.13 -1.00 0.00 0.00 179.01 177.67 2pka n SER 179 N -4.40 2.51 -4.24 1.42 3.41 -1.26 -4.86 113.62 106.20 2pka n SER 179 Ca 0.00 -2.28 -0.16 0.00 -0.26 0.00 0.00 58.87 56.17 2pka n SER 179 Cb 0.16 -0.56 -0.11 0.00 -0.26 0.00 0.00 64.21 63.44 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 -1.22 1.04 0.18 4.33 -1.94 -1.14 -1.43 119.30 119.12 2pka s MET 180 Ca 0.14 -1.33 0.11 0.00 -1.71 0.00 0.00 55.69 52.90 2pka s MET 180 Cb 0.11 -0.79 -0.04 0.00 2.01 0.00 0.00 34.83 36.12 2pka s MET 180 CO 0.03 0.13 -0.25 -0.51 -0.01 0.00 0.00 175.02 174.42 2pka s LEU 181 N -2.75 2.40 -0.22 -0.03 1.43 0.17 -4.68 118.68 115.00 2pka s LEU 181 Ca 0.12 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.40 2pka s LEU 181 Cb -0.02 -1.18 0.04 0.00 0.03 0.00 0.00 46.19 45.06 2pka s LEU 181 CO 0.02 0.14 -0.13 0.00 0.23 0.00 0.00 176.35 176.60 2pka s ALA 183 N 1.23 0.58 0.00 0.00 0.00 -0.84 -0.51 121.76 122.22 2pka s ALA 183 Ca -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2pka s ALA 183 Cb -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.93 2pka s ALA 183 CO -0.08 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.13 2pka n GLY 184 N 1.95 0.50 2.49 0.00 0.00 -0.01 -1.24 105.19 108.87 2pka n GLY 184 Ca -0.19 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.16 0.72 0.30 1.61 6.14 -1.26 -1.37 117.35 121.33 2pka s TYR 184 Ca 0.00 -1.53 0.05 0.00 0.64 0.00 0.00 57.07 56.23 2pka s TYR 184 Cb 0.00 -0.97 0.75 0.00 0.42 0.00 0.00 41.96 42.16 2pka s TYR 184 CO 0.00 -0.83 1.73 -0.07 0.64 0.00 0.00 175.55 177.02 2pka h LEU 185 N 7.27 0.54 -2.15 6.97 3.38 -1.92 -1.77 115.31 127.63 2pka h LEU 185 Ca 0.01 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.18 2pka h LEU 185 Cb 0.98 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2pka h LEU 185 CO 0.31 0.11 0.25 -0.65 0.09 0.00 0.00 178.44 178.55 2pka h PRO 186 N 0.55 0.00 0.00 1.13 0.11 -1.95 0.24 132.00 132.08 2pka h PRO 186 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 2pka h PRO 186 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2pka h PRO 186 CO -0.46 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.74 2pka n GLY 187 N -1.46 2.75 0.96 -0.55 0.00 -0.67 -4.55 105.19 101.68 2pka n GLY 187 Ca 0.03 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 0.53 0.76 2.71 -0.02 0.00 0.11 -4.95 105.19 104.33 2pka n GLY 188 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.60 0.35 0.23 1.61 1.02 -1.26 -5.01 119.74 116.08 2pka s LYS 188 Ca 0.00 0.02 -0.22 0.00 0.02 0.00 0.00 55.97 55.79 2pka s LYS 188 Cb 0.00 -1.27 0.04 0.00 -0.52 0.00 0.00 37.83 36.07 2pka s LYS 188 CO 0.00 -0.45 0.78 0.34 -0.92 0.00 0.00 175.35 175.10 2pka s ASP 189 N 2.03 -0.26 0.50 2.83 3.68 -1.26 -3.98 116.67 120.21 2pka s ASP 189 Ca 0.03 -0.50 -0.03 0.00 2.13 0.00 0.00 52.55 54.18 2pka s ASP 189 Cb -0.14 0.65 -0.01 0.00 -1.45 0.00 0.00 42.92 41.97 2pka s ASP 189 CO -0.06 -1.18 0.77 0.42 0.13 0.00 0.00 175.17 175.24 2pka s THR 190 N -3.71 4.13 0.31 1.71 -4.23 -1.26 -4.91 115.64 107.69 2pka s THR 190 Ca 0.11 -0.18 -0.04 0.00 -1.18 0.00 0.00 61.69 60.40 2pka s THR 190 Cb -0.04 -3.57 0.02 0.00 1.34 0.00 0.00 72.50 70.24 2pka s THR 190 CO 0.04 -0.50 0.48 0.00 -0.54 0.00 0.00 174.62 174.10 2pka n MET 192 N -0.50 0.03 0.00 0.00 1.56 -1.26 -0.96 117.12 115.99 2pka n MET 192 Ca -0.01 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2pka n MET 192 Cb 0.52 -1.52 0.00 0.00 2.15 0.00 0.00 33.22 34.36 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 5.52 2.81 0.26 -5.12 0.00 -1.26 -0.69 105.19 106.71 2pka n GLY 193 Ca 0.41 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.59 2pka n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pka h ASP 194 N 0.23 0.00 -1.24 1.61 3.45 -1.37 -3.38 116.42 115.72 2pka h ASP 194 Ca 0.00 0.00 -0.74 0.00 0.43 0.00 0.00 57.03 56.72 2pka h ASP 194 Cb 0.00 0.00 0.06 0.00 -0.56 0.00 0.00 39.33 38.83 2pka h ASP 194 CO 0.00 0.04 0.12 -1.20 -1.57 0.00 0.00 179.24 176.63 2pka n SER 195 N -3.15 0.38 0.00 6.45 7.64 -1.26 -2.46 113.62 121.22 2pka n SER 195 Ca 0.01 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.04 2pka n SER 195 Cb 0.36 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 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 1.82 2.42 3.91 0.23 0.00 -0.62 -4.94 105.19 108.00 2pka n GLY 196 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.57 1.63 0.50 -0.02 0.00 -1.03 -4.62 107.32 101.20 2pka s GLY 197 Ca 0.00 -0.67 -0.20 0.00 0.00 0.00 0.00 44.72 43.85 2pka s GLY 197 CO 0.00 -0.26 1.06 2.56 0.00 0.00 0.00 173.10 176.45 2pka s PRO 198 N -5.34 3.71 -0.29 2.90 0.04 -1.26 -0.12 135.00 134.63 2pka s PRO 198 Ca 0.59 1.40 0.01 0.00 0.04 0.00 0.00 61.00 63.05 2pka s PRO 198 Cb -0.11 -2.08 0.07 0.00 0.04 0.00 0.00 34.50 32.42 2pka s PRO 198 CO 0.48 -0.52 -0.03 -1.17 0.04 0.00 0.00 177.00 175.80 2pka s LEU 199 N -3.57 3.91 -0.33 -3.56 2.96 -0.51 -3.84 118.68 113.74 2pka s LEU 199 Ca 0.68 -1.51 -0.07 0.00 -0.22 0.00 0.00 54.13 53.01 2pka s LEU 199 Cb -0.18 -1.63 0.03 0.00 0.50 0.00 0.00 46.19 44.91 2pka s LEU 199 CO 0.22 -0.26 0.11 -0.63 -1.32 0.00 0.00 176.35 174.46 2pka s ILE 200 N 1.12 3.96 -0.18 6.68 1.01 -0.13 -1.43 121.20 132.24 2pka s ILE 200 Ca -0.04 -0.94 -0.05 0.00 0.00 0.00 0.00 60.65 59.62 2pka s ILE 200 Cb -0.20 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 2pka s ILE 200 CO -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 174.94 174.80 2pka n ASN 202 N 3.91 -0.64 -0.00 0.00 4.13 -1.09 -0.75 115.26 120.82 2pka n ASN 202 Ca -0.17 -1.05 -0.00 0.00 1.68 0.00 0.00 54.58 55.04 2pka n ASN 202 Cb 0.52 -2.87 -0.00 0.00 -1.54 0.00 0.00 39.78 35.89 2pka n ASN 202 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pka n GLY 203 N -2.03 0.26 3.15 7.41 0.00 -1.26 -4.99 105.19 107.72 2pka n GLY 203 Ca -0.29 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.97 3.04 -0.21 1.61 0.00 0.07 -5.06 119.30 117.79 2pka s MET 208 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 55.69 54.60 2pka s MET 208 Cb 0.00 -2.62 -0.04 0.00 0.00 0.00 0.00 34.83 32.16 2pka s MET 208 CO 0.00 -0.20 1.97 -0.46 0.00 0.00 0.00 175.02 176.33 2pka s TRP 209 N 1.30 1.51 -0.16 4.11 -0.00 -1.26 -0.71 118.94 123.73 2pka s TRP 209 Ca 0.05 0.42 0.01 0.00 -0.00 0.00 0.00 56.10 56.58 2pka s TRP 209 Cb -0.13 -4.03 -0.10 0.00 -0.00 0.00 0.00 33.47 29.20 2pka s TRP 209 CO -0.11 -3.80 -0.14 1.04 -0.00 0.00 0.00 176.95 173.94 2pka n GLN 210 N 8.32 0.41 -4.38 5.86 1.13 -0.51 -3.39 117.38 124.81 2pka n GLN 210 Ca 0.25 0.09 -0.21 0.00 -1.94 0.00 0.00 57.00 55.19 2pka n GLN 210 Cb 0.45 -1.32 -0.09 0.00 0.11 0.00 0.00 30.24 29.40 2pka n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2pka s GLY 211 N -5.52 2.31 -0.02 1.08 0.00 -0.96 -1.99 107.32 102.22 2pka s GLY 211 Ca -0.21 -1.66 0.01 0.00 0.00 0.00 0.00 44.72 42.86 2pka s GLY 211 CO 0.37 -1.64 -0.04 -0.42 0.00 0.00 0.00 173.10 171.37 2pka s ILE 212 N -3.44 0.39 0.02 0.90 1.01 -1.09 -1.42 121.20 117.56 2pka s ILE 212 Ca 0.33 -0.12 -0.33 0.00 0.00 0.00 0.00 60.65 60.53 2pka s ILE 212 Cb 0.04 -0.39 -0.11 0.00 0.01 0.00 0.00 42.46 42.00 2pka s ILE 212 CO 0.19 0.15 1.86 0.41 0.00 0.00 0.00 174.94 177.55 2pka n THR 213 N 3.54 0.51 0.00 2.92 -1.04 0.82 -0.72 114.28 120.31 2pka n THR 213 Ca -0.20 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 2pka n THR 213 Cb 0.54 -1.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.06 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 6.23 0.00 -3.82 8.00 2.88 -0.87 -1.59 113.62 124.45 2pka n SER 214 Ca 0.20 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.65 2pka n SER 214 Cb 0.34 -0.10 -0.05 0.00 -0.75 0.00 0.00 64.21 63.66 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 -0.69 0.05 0.00 0.66 1.48 -0.99 -4.90 118.94 114.54 2pka s TRP 215 Ca 0.00 -0.40 0.00 0.00 -1.06 0.00 0.00 56.10 54.64 2pka s TRP 215 Cb 0.00 0.28 0.00 0.00 -1.16 0.00 0.00 33.47 32.59 2pka s TRP 215 CO 0.00 -0.89 0.00 0.41 -4.06 0.00 0.00 176.95 172.41 2pka n GLY 216 N -0.32 3.14 3.80 3.67 0.00 -1.26 -0.03 105.19 114.20 2pka n GLY 216 Ca -0.08 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 2pka n GLY 216 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2pka s HIS 217 N -4.33 3.49 -0.15 1.61 2.46 -1.26 -5.05 115.29 112.06 2pka s HIS 217 Ca 0.00 0.41 -0.00 0.00 0.47 0.00 0.00 55.06 55.94 2pka s HIS 217 Cb 0.00 -2.01 -0.01 0.00 -0.13 0.00 0.00 32.58 30.43 2pka s HIS 217 CO 0.00 0.53 -0.13 -0.08 -2.47 0.00 0.00 174.74 172.59 2pka s THR 218 N -0.46 2.92 0.19 0.89 -1.32 -1.26 -2.27 115.64 114.33 2pka s THR 218 Ca 0.12 -0.69 -0.31 0.00 -1.21 0.00 0.00 61.69 59.59 2pka s THR 218 Cb -0.12 -2.24 -0.10 0.00 -1.51 0.00 0.00 72.50 68.53 2pka s THR 218 CO 0.02 0.51 1.58 -2.16 -2.21 0.00 0.00 174.62 172.36 2pka s PRO 219 N 0.66 4.20 0.50 7.08 0.04 -1.26 -4.85 135.00 141.37 2pka s PRO 219 Ca -0.07 2.41 -0.23 0.00 0.04 0.00 0.00 61.00 63.16 2pka s PRO 219 Cb -0.15 -3.12 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 2pka s PRO 219 CO 0.02 -0.61 1.28 0.00 0.04 0.00 0.00 177.00 177.74 2pka n GLY 221 N 0.83 0.41 3.77 0.00 0.00 -1.26 -4.57 105.19 104.36 2pka n GLY 221 Ca 0.09 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 2pka n GLY 221 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pka s SER 221 N -2.85 5.86 0.21 1.61 0.01 -1.23 0.04 113.70 117.36 2pka s SER 221 Ca 0.00 2.33 -0.31 0.00 1.31 0.00 0.00 55.95 59.28 2pka s SER 221 Cb 0.00 -2.60 -0.11 0.00 0.21 0.00 0.00 66.02 63.52 2pka s SER 221 CO 0.00 -1.13 1.63 0.00 0.41 0.00 0.00 173.24 174.15 2pka s ALA 222 N -1.58 3.84 -1.85 1.44 0.00 -1.26 -1.95 121.76 120.40 2pka s ALA 222 Ca 0.68 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.15 2pka s ALA 222 Cb -0.29 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2pka s ALA 222 CO 0.34 -0.88 0.00 0.09 0.00 0.00 0.00 175.76 175.31 2pka n ASN 223 N 3.53 -5.64 -3.85 0.00 4.13 0.84 -4.95 115.26 109.32 2pka n ASN 223 Ca 0.13 0.14 -0.29 0.00 1.68 0.00 0.00 54.58 56.25 2pka n ASN 223 Cb 0.37 -4.74 -0.12 0.00 -1.54 0.00 0.00 39.78 33.75 2pka n ASN 223 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2pka s LYS 224 N -4.60 2.10 0.77 3.52 -0.14 -0.82 -4.74 119.74 115.82 2pka s LYS 224 Ca 0.00 -2.94 -0.11 0.00 -1.36 0.00 0.00 55.97 51.56 2pka s LYS 224 Cb 0.00 -3.11 0.05 0.00 -1.68 0.00 0.00 37.83 33.10 2pka s LYS 224 CO 0.00 -1.24 1.08 -1.25 -0.76 0.00 0.00 175.35 173.18 2pka s PRO 225 N -0.89 2.30 0.40 -1.68 0.04 -1.26 -4.61 135.00 129.30 2pka s PRO 225 Ca 0.23 1.02 0.08 0.00 0.04 0.00 0.00 61.00 62.37 2pka s PRO 225 Cb -0.10 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2pka s PRO 225 CO -0.12 -1.57 0.32 -1.12 0.04 0.00 0.00 177.00 174.55 2pka s SER 226 N -3.55 4.96 -0.15 6.66 0.01 -0.38 -4.67 113.70 116.58 2pka s SER 226 Ca 0.61 -0.76 -0.04 0.00 1.31 0.00 0.00 55.95 57.06 2pka s SER 226 Cb -0.16 -0.62 -0.03 0.00 0.21 0.00 0.00 66.02 65.41 2pka s SER 226 CO 0.56 -0.57 -0.02 -0.63 0.41 0.00 0.00 173.24 172.99 2pka s ILE 227 N -2.47 4.04 -0.09 1.44 1.09 0.96 -1.99 121.20 124.19 2pka s ILE 227 Ca 0.45 -0.31 0.04 0.00 -1.10 0.00 0.00 60.65 59.73 2pka s ILE 227 Cb -0.02 -2.77 0.00 0.00 -1.06 0.00 0.00 42.46 38.61 2pka s ILE 227 CO 0.26 0.50 -0.20 -0.31 -0.10 0.00 0.00 174.94 175.09 2pka s TYR 228 N 0.28 2.17 0.13 3.97 2.02 -0.20 -2.05 117.35 123.66 2pka s TYR 228 Ca -0.02 -0.85 -0.31 0.00 -0.37 0.00 0.00 57.07 55.52 2pka s TYR 228 Cb -0.14 -1.48 -0.10 0.00 -0.40 0.00 0.00 41.96 39.84 2pka s TYR 228 CO 0.02 -0.36 1.84 0.99 -1.57 0.00 0.00 175.55 176.48 2pka s THR 229 N 0.41 2.51 -0.93 -0.71 2.01 0.10 0.45 115.64 119.47 2pka s THR 229 Ca -0.16 0.03 -0.24 0.00 0.31 0.00 0.00 61.69 61.62 2pka s THR 229 Cb -0.17 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 2pka s THR 229 CO 0.07 -0.00 1.78 -0.75 -0.69 0.00 0.00 174.62 175.02 2pka s LYS 230 N 2.74 2.90 0.37 4.92 2.20 -0.51 -2.68 119.74 129.67 2pka s LYS 230 Ca 0.81 -0.54 0.16 0.00 -0.36 0.00 0.00 55.97 56.04 2pka s LYS 230 Cb -0.46 -5.14 1.06 0.00 -1.51 0.00 0.00 37.83 31.78 2pka s LYS 230 CO 0.36 -2.97 1.72 -0.07 -0.36 0.00 0.00 175.35 174.04 2pka h LEU 231 N 16.13 0.52 -1.65 5.43 4.07 -1.72 -2.01 115.31 136.08 2pka h LEU 231 Ca 0.12 0.12 -0.04 0.00 0.08 0.00 0.00 57.88 58.16 2pka h LEU 231 Cb 1.01 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 2pka h LEU 231 CO 1.28 0.03 -0.20 -0.29 -1.08 0.00 0.00 178.44 178.19 2pka h ILE 232 N 0.42 0.87 -0.27 1.22 2.10 -1.89 -1.46 117.51 118.49 2pka h ILE 232 Ca 0.66 -0.76 0.05 0.00 1.08 0.00 0.00 64.86 65.89 2pka h ILE 232 Cb 1.54 1.44 -0.01 0.00 -1.09 0.00 0.00 36.82 38.70 2pka h ILE 232 CO -0.42 0.19 0.19 0.15 -1.08 0.00 0.00 178.15 177.18 2pka h PHE 233 N 0.00 0.14 -0.40 2.19 3.57 -1.75 -2.92 116.94 117.76 2pka h PHE 233 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2pka h PHE 233 Cb 0.43 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2pka h PHE 233 CO 0.00 0.08 0.00 0.66 -2.23 0.00 0.00 178.31 176.82 2pka n TYR 234 N -4.48 0.57 -0.01 0.41 4.01 -0.56 -4.68 117.16 112.42 2pka n TYR 234 Ca 0.03 -0.52 0.18 0.00 -0.16 0.00 0.00 57.90 57.42 2pka n TYR 234 Cb 0.25 -0.04 0.64 0.00 -0.31 0.00 0.00 39.34 39.88 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 2.33 0.10 0.27 7.72 3.38 -1.41 -0.68 115.31 127.02 2pka h LEU 235 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2pka h LEU 235 Cb 0.82 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2pka h LEU 235 CO 0.02 0.05 -0.13 0.44 0.09 0.00 0.00 178.44 178.91 2pka h ASP 236 N 0.10 -0.30 -0.40 -0.43 3.32 -1.84 -2.65 116.42 114.22 2pka h ASP 236 Ca 0.25 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2pka h ASP 236 Cb 0.86 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 2pka h ASP 236 CO -0.03 0.03 0.20 -0.25 -1.72 0.00 0.00 179.24 177.47 2pka h TRP 237 N -0.66 0.57 -0.41 4.55 7.01 -1.65 -1.16 115.95 124.20 2pka h TRP 237 Ca -0.04 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 60.99 2pka h TRP 237 Cb 0.46 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.30 2pka h TRP 237 CO 0.02 0.46 0.14 0.82 -2.79 0.00 0.00 178.44 177.10 2pka h ILE 238 N 0.51 0.88 -0.10 2.65 2.04 -1.23 -0.05 117.51 122.21 2pka h ILE 238 Ca 0.14 -0.11 -0.16 0.00 1.00 0.00 0.00 64.86 65.74 2pka h ILE 238 Cb 0.10 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2pka h ILE 238 CO -0.02 0.06 -0.62 0.44 0.00 0.00 0.00 178.15 178.01 2pka h ASP 239 N 0.31 0.39 -0.43 1.72 3.45 -1.37 -0.76 116.42 119.72 2pka h ASP 239 Ca 0.19 -0.23 -0.06 0.00 0.43 0.00 0.00 57.03 57.37 2pka h ASP 239 Cb 0.17 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.81 2pka h ASP 239 CO -0.19 0.91 0.05 0.44 -1.57 0.00 0.00 179.24 178.88 2pka h ASP 240 N 0.25 0.70 -0.29 6.45 3.45 -0.69 -1.08 116.42 125.22 2pka h ASP 240 Ca -0.01 -0.27 -0.06 0.00 0.43 0.00 0.00 57.03 57.12 2pka h ASP 240 Cb 1.14 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.72 2pka h ASP 240 CO 0.10 0.79 -0.06 0.74 -1.57 0.00 0.00 179.24 179.25 2pka h THR 241 N 0.57 1.28 0.00 0.35 2.02 -0.79 0.52 112.91 116.86 2pka h THR 241 Ca 0.13 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.24 2pka h THR 241 Cb 0.40 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2pka h THR 241 CO 0.01 0.34 0.00 0.40 0.37 0.00 0.00 175.52 176.64 2pka h ILE 242 N 0.31 0.00 0.00 3.11 2.04 -1.12 -2.51 117.51 119.34 2pka h ILE 242 Ca 0.07 -0.26 -0.37 0.00 1.00 0.00 0.00 64.86 65.30 2pka h ILE 242 Cb 0.53 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 2pka h ILE 242 CO 0.03 0.00 -2.40 0.41 0.00 0.00 0.00 178.15 176.19 2pka n THR 243 N -2.42 1.40 1.31 -0.27 -1.04 -0.41 -4.43 114.28 108.42 2pka n THR 243 Ca 0.01 -0.69 0.13 0.00 -2.04 0.00 0.00 64.05 61.47 2pka n THR 243 Cb 0.22 -0.96 0.40 0.00 -1.82 0.00 0.00 70.33 68.17 2pka n THR 243 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2pka n GLU 244 N -3.00 1.24 -4.64 -2.82 1.02 0.18 -4.79 120.64 107.82 2pka n GLU 244 Ca -0.39 -0.76 -0.31 0.00 -0.02 0.00 0.00 57.16 55.68 2pka n GLU 244 Cb 1.05 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 30.87 2pka n GLU 244 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2pka s ASN 245 N -2.29 3.88 0.00 1.62 0.01 -0.96 -5.08 114.94 112.13 2pka s ASN 245 Ca 0.29 -0.40 0.10 0.00 -0.71 0.00 0.00 52.86 52.15 2pka s ASN 245 Cb 0.20 -0.66 0.62 0.00 0.41 0.00 0.00 41.25 41.82 2pka s ASN 245 CO 0.44 0.26 1.06 -0.81 -1.51 0.00 0.00 177.10 176.54