#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyt h GLU 101 N 0.00 0.42 -0.55 1.96 5.08 -1.99 -1.28 114.58 118.22 2pyt h GLU 101 Ca 0.00 -0.08 -0.26 0.00 -1.00 0.00 0.00 59.36 58.02 2pyt h GLU 101 Cb 0.00 -0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.03 2pyt h GLU 101 CO 0.00 0.46 0.16 1.28 -1.00 0.00 0.00 179.01 179.91 2pyt n LEU 102 N -4.31 4.99 0.00 1.33 4.77 -1.26 -4.99 117.00 117.53 2pyt n LEU 102 Ca 0.01 -3.60 0.00 0.00 -0.03 0.00 0.00 56.01 52.38 2pyt n LEU 102 Cb 0.23 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2pyt n LEU 102 CO 0.38 1.10 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 2pyt n GLY 103 N -0.98 5.46 1.83 -0.72 0.00 -0.48 -5.31 105.19 104.99 2pyt n GLY 103 Ca 0.40 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 2pyt n GLY 103 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pyt n THR 104 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.78 114.28 109.81 2pyt n THR 104 Ca 0.00 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 2pyt n THR 104 Cb 0.00 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 66.95 2pyt n THR 104 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2pyt n GLN 106 N -2.62 0.00 -2.38 -2.82 7.27 -1.24 -4.19 117.38 111.40 2pyt n GLN 106 Ca 0.08 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.73 2pyt n GLN 106 Cb 0.28 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.90 2pyt n GLN 106 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2pyt s PRO 107 N 0.00 4.45 0.09 3.69 0.04 -1.26 -4.16 135.00 137.85 2pyt s PRO 107 Ca 0.00 1.84 -0.23 0.00 0.04 0.00 0.00 61.00 62.65 2pyt s PRO 107 Cb 0.00 -3.29 0.06 0.00 0.04 0.00 0.00 34.50 31.30 2pyt s PRO 107 CO 0.00 -0.21 0.55 -1.54 0.04 0.00 0.00 177.00 175.85 2pyt s SER 108 N 0.69 -0.49 -0.01 6.66 1.04 -0.68 -4.89 113.70 116.02 2pyt s SER 108 Ca 0.57 0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.81 2pyt s SER 108 Cb -0.31 0.54 0.08 0.00 0.10 0.00 0.00 66.02 66.42 2pyt s SER 108 CO 0.32 -0.82 0.72 0.72 0.98 0.00 0.00 173.24 175.15 2pyt s PHE 109 N -3.00 -0.57 0.01 5.02 -0.71 -1.26 -0.73 117.98 116.74 2pyt s PHE 109 Ca -0.02 0.81 0.00 0.00 -1.04 0.00 0.00 56.93 56.68 2pyt s PHE 109 Cb -0.00 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 2pyt s PHE 109 CO -0.06 -0.63 0.09 0.95 -1.34 0.00 0.00 175.22 174.23 2pyt s THR 110 N -1.93 4.74 0.16 -4.49 -4.23 -1.26 -5.02 115.64 103.61 2pyt s THR 110 Ca -0.06 -0.47 -0.13 0.00 -1.18 0.00 0.00 61.69 59.85 2pyt s THR 110 Cb -0.00 -3.20 0.01 0.00 1.34 0.00 0.00 72.50 70.65 2pyt s THR 110 CO 0.02 0.30 0.38 -0.94 -0.54 0.00 0.00 174.62 173.84 2pyt s SER 111 N -1.90 -0.10 -0.02 3.99 1.04 -1.26 -1.79 113.70 113.66 2pyt s SER 111 Ca 0.25 -0.64 0.06 0.00 0.48 0.00 0.00 55.95 56.10 2pyt s SER 111 Cb -0.12 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 2pyt s SER 111 CO 0.16 -0.94 -0.19 -0.69 0.98 0.00 0.00 173.24 172.56 2pyt s VAL 112 N -3.90 1.53 -0.07 5.02 1.01 -0.39 -5.01 120.40 118.59 2pyt s VAL 112 Ca 0.11 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2pyt s VAL 112 Cb 0.02 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.13 2pyt s VAL 112 CO -0.03 0.43 -0.13 -0.89 0.00 0.00 0.00 175.10 174.48 2pyt s THR 113 N -0.40 1.22 0.73 3.92 2.01 -1.26 -0.77 115.64 121.08 2pyt s THR 113 Ca 0.06 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.42 2pyt s THR 113 Cb -0.08 -1.11 0.03 0.00 0.01 0.00 0.00 72.50 71.35 2pyt s THR 113 CO -0.00 0.37 1.10 -0.83 -0.69 0.00 0.00 174.62 174.57 2pyt s GLY 114 N 0.64 1.63 0.44 4.40 0.00 0.23 -4.95 107.32 109.71 2pyt s GLY 114 Ca -0.15 -0.30 0.20 0.00 0.00 0.00 0.00 44.72 44.47 2pyt s GLY 114 CO 0.04 0.08 1.86 1.70 0.00 0.00 0.00 173.10 176.78 2pyt h LYS 115 N -0.75 0.32 -0.04 2.90 3.64 -2.01 -1.68 116.57 118.95 2pyt h LYS 115 Ca -0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2pyt h LYS 115 Cb 1.25 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2pyt h LYS 115 CO 0.63 0.21 0.00 0.41 -2.27 0.00 0.00 179.45 178.43 2pyt n GLY 116 N -1.55 -0.08 0.00 5.01 0.00 -1.26 -4.95 105.19 102.37 2pyt n GLY 116 Ca 0.19 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2pyt n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pyt n GLY 117 N 1.14 0.53 3.69 -0.02 0.00 -0.63 -5.06 105.19 104.83 2pyt n GLY 117 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2pyt n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pyt s VAL 118 N -2.00 3.92 -0.08 1.61 1.01 -1.26 -4.82 120.40 118.77 2pyt s VAL 118 Ca 0.00 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.27 2pyt s VAL 118 Cb 0.00 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2pyt s VAL 118 CO 0.00 -0.01 -0.15 -0.75 0.00 0.00 0.00 175.10 174.19 2pyt s LYS 119 N 2.41 2.89 -0.12 2.72 2.20 -1.26 -0.61 119.74 127.98 2pyt s LYS 119 Ca 0.61 -0.71 0.03 0.00 -0.36 0.00 0.00 55.97 55.54 2pyt s LYS 119 Cb -0.29 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.57 2pyt s LYS 119 CO 0.24 0.42 -0.23 0.08 -0.36 0.00 0.00 175.35 175.51 2pyt s VAL 120 N -0.21 2.02 -0.18 4.02 1.01 0.05 -5.01 120.40 122.11 2pyt s VAL 120 Ca 0.00 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 2pyt s VAL 120 Cb -0.13 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2pyt s VAL 120 CO 0.03 0.55 0.05 -0.63 0.00 0.00 0.00 175.10 175.10 2pyt s ILE 121 N 0.56 4.72 -0.64 2.22 1.09 -1.26 -1.26 121.20 126.63 2pyt s ILE 121 Ca -0.14 -0.06 -0.28 0.00 -1.10 0.00 0.00 60.65 59.08 2pyt s ILE 121 Cb -0.17 -3.12 0.03 0.00 -1.06 0.00 0.00 42.46 38.14 2pyt s ILE 121 CO 0.04 0.47 1.23 -0.62 -0.10 0.00 0.00 174.94 175.97 2pyt s ASP 122 N 0.29 6.33 0.42 3.58 2.15 -0.74 -4.88 116.67 123.81 2pyt s ASP 122 Ca 0.03 -0.10 0.08 0.00 0.43 0.00 0.00 52.55 52.99 2pyt s ASP 122 Cb -0.12 -2.56 0.89 0.00 -0.30 0.00 0.00 42.92 40.83 2pyt s ASP 122 CO 0.00 -1.63 2.07 1.23 -0.17 0.00 0.00 175.17 176.67 2pyt h GLY 123 N 12.39 0.52 2.00 2.66 0.00 -1.97 -1.55 103.07 117.13 2pyt h GLY 123 Ca -0.26 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2pyt h GLY 123 CO 1.22 0.19 0.00 1.48 0.00 0.00 0.00 176.54 179.44 2pyt h SER 124 N 0.50 0.00 0.27 0.19 4.64 -1.99 -2.86 113.55 114.31 2pyt h SER 124 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2pyt h SER 124 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2pyt h SER 124 CO -0.03 0.00 -0.29 -1.54 -0.87 0.00 0.00 176.83 174.10 2pyt n SER 125 N -2.35 0.95 -4.69 4.97 3.41 -0.58 -4.94 113.62 110.39 2pyt n SER 125 Ca 0.01 -0.80 -0.42 0.00 -0.26 0.00 0.00 58.87 57.40 2pyt n SER 125 Cb 0.20 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 2pyt n SER 125 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2pyt s VAL 126 N -2.57 3.92 0.00 -3.33 1.01 -1.08 -4.31 120.40 114.04 2pyt s VAL 126 Ca 0.23 1.30 0.05 0.00 0.00 0.00 0.00 61.98 63.56 2pyt s VAL 126 Cb 0.19 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2pyt s VAL 126 CO 0.54 0.01 -0.15 -0.54 0.00 0.00 0.00 175.10 174.96 2pyt s LYS 127 N 2.15 2.30 -0.08 2.72 -0.14 0.09 -4.98 119.74 121.81 2pyt s LYS 127 Ca 0.60 -0.84 -0.09 0.00 -1.36 0.00 0.00 55.97 54.29 2pyt s LYS 127 Cb -0.29 -2.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 2pyt s LYS 127 CO 0.25 0.58 0.21 -0.06 -0.76 0.00 0.00 175.35 175.58 2pyt s PHE 128 N -0.86 3.62 0.54 3.18 0.08 -1.26 -1.69 117.98 121.60 2pyt s PHE 128 Ca 0.14 0.63 -0.04 0.00 0.12 0.00 0.00 56.93 57.78 2pyt s PHE 128 Cb -0.11 -2.02 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 2pyt s PHE 128 CO 0.04 0.70 0.81 0.20 -0.10 0.00 0.00 175.22 176.87 2pyt s GLY 129 N -1.14 1.59 0.10 4.36 0.00 -0.84 -3.60 107.32 107.78 2pyt s GLY 129 Ca 0.19 -0.82 -0.29 0.00 0.00 0.00 0.00 44.72 43.79 2pyt s GLY 129 CO 0.08 -0.59 0.93 0.50 0.00 0.00 0.00 173.10 174.02 2pyt s ARG 130 N -4.82 4.66 -0.42 2.90 0.52 -1.26 -0.94 118.95 119.59 2pyt s ARG 130 Ca 0.52 1.39 -0.26 0.00 -0.52 0.00 0.00 55.73 56.86 2pyt s ARG 130 Cb -0.10 -3.38 0.02 0.00 0.52 0.00 0.00 34.95 32.01 2pyt s ARG 130 CO 0.42 0.21 0.94 0.12 0.02 0.00 0.00 175.30 177.02 2pyt s PHE 131 N 0.03 2.98 0.41 -0.53 5.36 0.95 -4.84 117.98 122.34 2pyt s PHE 131 Ca 0.46 0.59 0.12 0.00 -0.96 0.00 0.00 56.93 57.14 2pyt s PHE 131 Cb -0.23 -3.86 0.86 0.00 -0.34 0.00 0.00 43.02 39.46 2pyt s PHE 131 CO 0.29 -0.99 1.94 -0.44 -1.46 0.00 0.00 175.22 174.55 2pyt h ASP 132 N 8.81 0.10 0.63 6.13 3.32 -1.95 -2.14 116.42 131.33 2pyt h ASP 132 Ca -0.24 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2pyt h ASP 132 Cb 1.08 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2pyt h ASP 132 CO 1.01 0.30 0.00 1.23 -1.72 0.00 0.00 179.24 180.06 2pyt h GLY 133 N 0.71 0.00 0.59 2.75 0.00 -1.97 -2.52 103.07 102.62 2pyt h GLY 133 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2pyt h GLY 133 CO 0.03 0.00 -0.54 0.00 0.00 0.00 0.00 176.54 176.03 2pyt n ALA 134 N -1.84 3.67 -1.64 3.60 0.00 -0.80 -4.92 120.51 118.58 2pyt n ALA 134 Ca 0.01 -0.42 -0.39 0.00 0.00 0.00 0.00 53.44 52.65 2pyt n ALA 134 Cb 0.20 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.65 2pyt n ALA 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pyt n GLU 135 N -1.27 1.14 0.00 0.00 -0.58 -0.95 -1.85 120.64 117.13 2pyt n GLU 135 Ca 0.07 0.43 0.11 0.00 -0.42 0.00 0.00 57.16 57.34 2pyt n GLU 135 Cb 0.34 -2.23 0.59 0.00 -0.57 0.00 0.00 31.44 29.58 2pyt n GLU 135 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2pyt n PRO 136 N -0.81 0.52 -2.49 3.49 -0.04 -1.26 -5.07 135.00 129.33 2pyt n PRO 136 Ca 0.12 0.04 -0.34 0.00 -0.04 0.00 0.00 63.50 63.29 2pyt n PRO 136 Cb 0.45 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 2pyt n PRO 136 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2pyt s HIS 137 N -2.24 3.07 -0.55 0.54 3.76 -0.77 -5.01 115.29 114.10 2pyt s HIS 137 Ca 0.27 1.56 -0.18 0.00 -0.15 0.00 0.00 55.06 56.56 2pyt s HIS 137 Cb 0.14 -3.01 0.09 0.00 1.11 0.00 0.00 32.58 30.92 2pyt s HIS 137 CO 0.28 -0.74 0.61 0.00 -0.85 0.00 0.00 174.74 174.04 2pyt s VAL 139 N 2.36 1.68 0.02 0.00 1.01 -1.26 -4.69 120.40 119.52 2pyt s VAL 139 Ca 0.10 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 2pyt s VAL 139 Cb -0.24 -1.47 -0.06 0.00 0.00 0.00 0.00 36.38 34.61 2pyt s VAL 139 CO 0.07 0.48 0.58 -0.83 0.00 0.00 0.00 175.10 175.39 2pyt s GLY 140 N 0.41 2.62 -0.20 4.51 0.00 -0.37 -0.04 107.32 114.26 2pyt s GLY 140 Ca -0.16 0.02 -0.15 0.00 0.00 0.00 0.00 44.72 44.43 2pyt s GLY 140 CO 0.06 0.63 0.50 -2.27 0.00 0.00 0.00 173.10 172.03 2pyt s LEU 141 N -0.50 -0.11 -0.10 0.66 0.20 -0.12 -1.32 118.68 117.39 2pyt s LEU 141 Ca 0.30 1.04 -0.03 0.00 0.69 0.00 0.00 54.13 56.13 2pyt s LEU 141 Cb -0.18 1.70 0.05 0.00 -0.43 0.00 0.00 46.19 47.33 2pyt s LEU 141 CO 0.17 -0.19 0.10 -0.89 -0.29 0.00 0.00 176.35 175.25 2pyt s THR 142 N 0.78 -0.14 0.12 3.68 2.01 -0.42 -1.99 115.64 119.67 2pyt s THR 142 Ca -0.04 0.19 -0.31 0.00 0.31 0.00 0.00 61.69 61.84 2pyt s THR 142 Cb -0.05 -0.35 -0.08 0.00 0.01 0.00 0.00 72.50 72.03 2pyt s THR 142 CO -0.06 -0.00 1.38 -1.81 -0.69 0.00 0.00 174.62 173.44 2pyt s ASP 143 N 2.19 6.83 -0.09 3.53 1.01 -1.26 -1.91 116.67 126.97 2pyt s ASP 143 Ca 0.04 2.33 0.02 0.00 0.71 0.00 0.00 52.55 55.65 2pyt s ASP 143 Cb -0.14 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.14 2pyt s ASP 143 CO -0.06 -0.64 -0.06 0.18 0.21 0.00 0.00 175.17 174.80 2pyt n LEU 144 N 3.83 2.24 -4.04 1.23 4.77 0.54 -4.96 117.00 120.62 2pyt n LEU 144 Ca 0.11 -0.04 -0.27 0.00 -0.03 0.00 0.00 56.01 55.79 2pyt n LEU 144 Cb 0.42 -0.20 -0.17 0.00 -2.33 0.00 0.00 43.42 41.15 2pyt n LEU 144 CO 0.58 0.54 -0.48 -0.69 -1.33 0.00 0.00 177.39 176.01 2pyt s VAL 145 N -2.18 1.32 0.20 4.08 1.01 -0.59 -4.99 120.40 119.25 2pyt s VAL 145 Ca -0.10 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2pyt s VAL 145 Cb 0.03 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2pyt s VAL 145 CO 0.24 0.40 0.14 0.42 0.00 0.00 0.00 175.10 176.29 2pyt s THR 146 N 0.81 0.01 0.53 3.92 -4.23 -1.26 -0.82 115.64 114.59 2pyt s THR 146 Ca -0.11 -1.98 0.26 0.00 -1.18 0.00 0.00 61.69 58.68 2pyt s THR 146 Cb -0.15 -2.46 0.40 0.00 1.34 0.00 0.00 72.50 71.63 2pyt s THR 146 CO 0.02 -0.03 1.99 1.05 -0.54 0.00 0.00 174.62 177.10 2pyt h GLU 147 N 2.63 0.00 0.00 3.99 4.11 -1.84 0.10 114.58 123.57 2pyt h GLU 147 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 2pyt h GLU 147 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2pyt h GLU 147 CO 0.53 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.65 2pyt n GLN 148 N -4.36 0.06 0.00 1.06 3.00 -1.26 -0.08 117.38 115.80 2pyt n GLN 148 Ca 0.10 0.51 0.13 0.00 -0.01 0.00 0.00 57.00 57.73 2pyt n GLN 148 Cb 0.64 -1.69 0.28 0.00 0.00 0.00 0.00 30.24 29.47 2pyt n GLN 148 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2pyt n ASP 149 N -1.82 2.09 0.00 1.08 8.00 0.36 -4.93 116.55 121.33 2pyt n ASP 149 Ca 0.00 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 53.88 2pyt n ASP 149 Cb 0.05 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2pyt n ASP 149 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pyt n GLY 150 N 1.29 0.67 3.79 0.44 0.00 0.89 -5.03 105.19 107.24 2pyt n GLY 150 Ca 0.15 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 2pyt n GLY 150 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pyt s SER 151 N -2.75 6.21 0.00 1.61 0.15 -1.23 -5.03 113.70 112.67 2pyt s SER 151 Ca 0.00 0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.97 2pyt s SER 151 Cb 0.00 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 2pyt s SER 151 CO 0.00 0.29 0.35 -1.54 1.20 0.00 0.00 173.24 173.54 2pyt n SER 152 N 2.78 0.88 -3.88 5.45 3.41 -1.26 -3.95 113.62 117.05 2pyt n SER 152 Ca -0.18 -1.03 -0.12 0.00 -0.26 0.00 0.00 58.87 57.28 2pyt n SER 152 Cb 0.53 -0.26 -0.13 0.00 -0.26 0.00 0.00 64.21 64.09 2pyt n SER 152 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pyt s ALA 154 N -0.47 -0.00 0.03 7.33 0.00 0.22 -2.14 121.76 126.72 2pyt s ALA 154 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.84 2pyt s ALA 154 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2pyt s ALA 154 CO 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 175.76 175.80 2pyt s ALA 155 N -0.24 -0.04 -0.00 0.00 0.00 -0.00 0.46 121.76 121.94 2pyt s ALA 155 Ca -0.03 -0.53 -0.08 0.00 0.00 0.00 0.00 51.96 51.32 2pyt s ALA 155 Cb -0.02 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.34 2pyt s ALA 155 CO -0.00 -0.27 0.38 0.41 0.00 0.00 0.00 175.76 176.27 2pyt n GLY 156 N 1.00 0.56 0.00 0.00 0.00 -0.66 -0.34 105.19 105.75 2pyt n GLY 156 Ca -0.20 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2pyt n GLY 156 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pyt n PHE 157 N -0.27 -0.90 0.00 1.61 3.72 -0.80 -0.75 117.46 120.07 2pyt n PHE 157 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2pyt n PHE 157 Cb 0.17 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 2pyt n PHE 157 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2pyt n GLN 159 N -0.30 0.00 -3.80 -1.08 7.27 -0.43 -1.31 117.38 117.73 2pyt n GLN 159 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 2pyt n GLN 159 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 2pyt n GLN 159 CO 0.00 0.00 0.00 1.67 0.07 0.00 0.00 177.06 178.80 2pyt s TRP 160 N -0.15 -0.21 0.08 3.69 -2.14 -0.97 -1.23 118.94 118.01 2pyt s TRP 160 Ca 0.00 -0.20 0.08 0.00 2.66 0.00 0.00 56.10 58.64 2pyt s TRP 160 Cb 0.00 0.68 -0.04 0.00 -3.10 0.00 0.00 33.47 31.01 2pyt s TRP 160 CO 0.00 -1.12 -0.16 -0.51 -2.66 0.00 0.00 176.95 172.51 2pyt s ASP 161 N -2.90 4.02 -0.17 -2.66 1.01 -1.26 -1.75 116.67 112.95 2pyt s ASP 161 Ca 0.10 -0.45 -0.11 0.00 0.71 0.00 0.00 52.55 52.81 2pyt s ASP 161 Cb -0.05 -0.67 0.02 0.00 1.01 0.00 0.00 42.92 43.23 2pyt s ASP 161 CO 0.04 0.21 0.22 -3.20 0.21 0.00 0.00 175.17 172.65 2pyt n ASN 162 N 1.08 -1.77 -3.61 0.27 5.15 0.28 -4.96 115.26 111.70 2pyt n ASN 162 Ca -0.15 -0.10 -0.10 0.00 -0.60 0.00 0.00 54.58 53.62 2pyt n ASN 162 Cb 0.52 -0.53 -0.06 0.00 -0.53 0.00 0.00 39.78 39.18 2pyt n ASN 162 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pyt s ALA 163 N -0.80 -1.95 -0.01 5.20 0.00 -0.70 -5.00 121.76 118.50 2pyt s ALA 163 Ca 0.11 1.76 0.06 0.00 0.00 0.00 0.00 51.96 53.88 2pyt s ALA 163 Cb -0.01 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 2pyt s ALA 163 CO 0.29 -0.27 -0.20 -0.06 0.00 0.00 0.00 175.76 175.53 2pyt s PHE 164 N -0.29 1.75 0.01 0.00 0.40 -1.26 -1.68 117.98 116.90 2pyt s PHE 164 Ca 0.01 -0.33 -0.11 0.00 -0.60 0.00 0.00 56.93 55.89 2pyt s PHE 164 Cb -0.03 -1.12 0.01 0.00 0.51 0.00 0.00 43.02 42.39 2pyt s PHE 164 CO -0.03 -0.02 0.24 -0.59 0.70 0.00 0.00 175.22 175.52 2pyt s PHE 165 N -0.49 -0.06 0.23 0.36 -0.71 0.52 -4.98 117.98 112.87 2pyt s PHE 165 Ca 0.07 -0.01 -0.21 0.00 -1.04 0.00 0.00 56.93 55.74 2pyt s PHE 165 Cb -0.08 0.03 -0.08 0.00 -1.21 0.00 0.00 43.02 41.68 2pyt s PHE 165 CO -0.01 -0.39 0.76 -1.25 -1.34 0.00 0.00 175.22 173.00 2pyt s PRO 166 N -1.82 4.34 -0.15 1.99 0.04 -1.26 -0.13 135.00 138.01 2pyt s PRO 166 Ca -0.11 0.98 -0.17 0.00 0.04 0.00 0.00 61.00 61.74 2pyt s PRO 166 Cb -0.04 -2.91 0.04 0.00 0.04 0.00 0.00 34.50 31.63 2pyt s PRO 166 CO 0.01 0.40 0.47 -0.46 0.04 0.00 0.00 177.00 177.45 2pyt s TRP 167 N -1.49 -0.48 -0.19 0.56 -0.11 -0.54 -4.91 118.94 111.78 2pyt s TRP 167 Ca 0.43 1.13 -0.03 0.00 1.22 0.00 0.00 56.10 58.85 2pyt s TRP 167 Cb -0.18 0.18 -0.01 0.00 -1.50 0.00 0.00 33.47 31.96 2pyt s TRP 167 CO 0.22 -0.29 -0.07 0.99 -4.62 0.00 0.00 176.95 173.17 2pyt s THR 168 N -0.06 3.30 -0.20 5.86 2.01 -1.26 -0.64 115.64 124.64 2pyt s THR 168 Ca -0.03 -0.54 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 2pyt s THR 168 Cb -0.03 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 2pyt s THR 168 CO 0.02 0.46 0.50 -0.76 -0.69 0.00 0.00 174.62 174.15 2pyt s LEU 169 N 1.02 4.15 -0.31 4.42 1.02 -0.29 -4.93 118.68 123.76 2pyt s LEU 169 Ca -0.00 0.65 0.10 0.00 0.02 0.00 0.00 54.13 54.90 2pyt s LEU 169 Cb -0.15 -2.67 0.65 0.00 0.02 0.00 0.00 46.19 44.04 2pyt s LEU 169 CO -0.00 -0.16 1.68 -0.46 0.02 0.00 0.00 176.35 177.43 2pyt n ASN 170 N 4.72 4.02 -3.66 2.29 6.94 -1.26 0.01 115.26 128.32 2pyt n ASN 170 Ca -0.05 -3.36 -0.11 0.00 -0.02 0.00 0.00 54.58 51.04 2pyt n ASN 170 Cb 0.51 -0.70 -0.05 0.00 -2.36 0.00 0.00 39.78 37.18 2pyt n ASN 170 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 2pyt s TYR 171 N -3.06 -0.19 0.30 -2.53 -0.85 -1.26 -4.79 117.35 104.97 2pyt s TYR 171 Ca 0.51 -0.08 -0.24 0.00 -0.52 0.00 0.00 57.07 56.73 2pyt s TYR 171 Cb 0.42 0.22 -0.10 0.00 0.38 0.00 0.00 41.96 42.89 2pyt s TYR 171 CO 0.09 -0.66 0.89 -0.51 -1.52 0.00 0.00 175.55 173.84 2pyt s ASP 172 N -2.64 7.25 -0.02 -0.18 1.01 -0.01 -3.57 116.67 118.50 2pyt s ASP 172 Ca 0.01 1.72 0.02 0.00 0.71 0.00 0.00 52.55 55.01 2pyt s ASP 172 Cb 0.02 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.41 2pyt s ASP 172 CO -0.10 -0.06 -0.06 -0.70 0.21 0.00 0.00 175.17 174.47 2pyt s GLU 173 N -2.09 0.61 -0.10 8.23 2.12 -0.40 -1.95 118.70 125.11 2pyt s GLU 173 Ca 0.49 -0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.65 2pyt s GLU 173 Cb -0.18 -0.60 -0.02 0.00 0.26 0.00 0.00 34.13 33.60 2pyt s GLU 173 CO 0.23 0.07 -0.16 0.42 -0.54 0.00 0.00 175.26 175.27 2pyt s ILE 174 N 0.19 2.82 0.00 -3.70 1.01 -0.27 -0.72 121.20 120.53 2pyt s ILE 174 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2pyt s ILE 174 Cb -0.06 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.27 2pyt s ILE 174 CO -0.00 0.55 0.00 0.47 0.00 0.00 0.00 174.94 175.96 2pyt n ASP 175 N 3.15 1.57 -3.63 3.58 8.00 -1.26 -0.81 116.55 127.15 2pyt n ASP 175 Ca -0.18 -0.80 -0.09 0.00 0.71 0.00 0.00 54.79 54.43 2pyt n ASP 175 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.53 2pyt n ASP 175 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pyt s VAL 177 N -0.87 -0.64 -0.18 2.53 1.01 -0.86 -4.34 120.40 117.05 2pyt s VAL 177 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.14 2pyt s VAL 177 Cb 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 36.38 35.49 2pyt s VAL 177 CO 0.00 0.06 0.10 0.18 0.00 0.00 0.00 175.10 175.44 2pyt n LEU 178 N 5.39 2.44 -3.86 3.92 4.77 0.86 -1.09 117.00 129.42 2pyt n LEU 178 Ca -0.08 0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 2pyt n LEU 178 Cb 0.49 -0.80 -0.12 0.00 -2.33 0.00 0.00 43.42 40.67 2pyt n LEU 178 CO 0.01 0.83 -0.23 -1.61 -1.33 0.00 0.00 177.39 175.05 2pyt s GLU 179 N -2.54 0.26 3.94 3.23 2.02 -0.59 -4.67 118.70 120.35 2pyt s GLU 179 Ca -0.26 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 54.62 2pyt s GLU 179 Cb 0.08 0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.42 2pyt s GLU 179 CO 0.70 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.34 2pyt n GLY 180 N 2.35 0.42 3.08 -1.39 0.00 -1.26 -0.98 105.19 107.41 2pyt n GLY 180 Ca -0.17 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 2pyt n GLY 180 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2pyt s GLU 181 N 0.00 0.24 -0.19 1.61 -1.05 -0.66 -2.13 118.70 116.51 2pyt s GLU 181 Ca 0.00 0.32 -0.07 0.00 -0.15 0.00 0.00 54.97 55.08 2pyt s GLU 181 Cb 0.00 0.08 -0.03 0.00 -0.44 0.00 0.00 34.13 33.74 2pyt s GLU 181 CO 0.00 -0.05 0.04 -1.17 0.95 0.00 0.00 175.26 175.03 2pyt s LEU 182 N 0.28 3.59 -0.18 1.83 2.96 -0.02 -4.49 118.68 122.64 2pyt s LEU 182 Ca -0.01 -0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.83 2pyt s LEU 182 Cb -0.03 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 2pyt s LEU 182 CO -0.01 0.12 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.05 2pyt s HIS 183 N 0.71 2.90 -0.14 5.38 3.76 -0.06 -0.84 115.29 127.00 2pyt s HIS 183 Ca 0.02 -0.85 0.02 0.00 -0.15 0.00 0.00 55.06 54.10 2pyt s HIS 183 Cb -0.14 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.56 2pyt s HIS 183 CO 0.02 -0.42 -0.19 0.08 -0.85 0.00 0.00 174.74 173.37 2pyt s VAL 184 N 1.02 2.34 -0.19 -0.90 1.01 -1.26 -0.65 120.40 121.78 2pyt s VAL 184 Ca -0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 2pyt s VAL 184 Cb -0.15 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2pyt s VAL 184 CO -0.01 0.54 0.03 -0.60 0.00 0.00 0.00 175.10 175.06 2pyt s ARG 185 N 0.72 3.83 -0.10 2.72 3.52 -0.54 -4.25 118.95 124.86 2pyt s ARG 185 Ca -0.08 -0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 55.02 2pyt s ARG 185 Cb -0.16 -3.15 0.04 0.00 -1.56 0.00 0.00 34.95 30.12 2pyt s ARG 185 CO 0.01 0.19 0.26 -1.58 -0.81 0.00 0.00 175.30 173.37 2pyt s HIS 186 N 0.58 -0.32 -1.64 5.12 2.46 -0.25 -1.26 115.29 119.98 2pyt s HIS 186 Ca 0.01 0.77 -0.17 0.00 0.47 0.00 0.00 55.06 56.14 2pyt s HIS 186 Cb -0.13 0.09 0.13 0.00 -0.13 0.00 0.00 32.58 32.54 2pyt s HIS 186 CO 0.02 -0.19 0.85 0.39 -2.47 0.00 0.00 174.74 173.34 2pyt n GLU 187 N 3.55 -3.94 0.00 2.88 1.02 -1.26 -1.75 120.64 121.14 2pyt n GLU 187 Ca -0.19 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 2pyt n GLU 187 Cb 0.56 -5.24 0.00 0.00 -0.02 0.00 0.00 31.44 26.74 2pyt n GLU 187 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pyt n GLY 188 N -1.48 2.97 3.80 0.62 0.00 -1.26 -5.02 105.19 104.82 2pyt n GLY 188 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2pyt n GLY 188 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pyt s GLU 189 N -0.22 3.93 0.39 1.61 2.02 -0.72 -5.05 118.70 120.67 2pyt s GLU 189 Ca 0.00 0.06 0.04 0.00 0.02 0.00 0.00 54.97 55.10 2pyt s GLU 189 Cb 0.00 -3.31 0.07 0.00 0.10 0.00 0.00 34.13 30.99 2pyt s GLU 189 CO 0.00 0.51 0.54 2.41 0.02 0.00 0.00 175.26 178.74 2pyt n THR 190 N 2.69 0.00 -3.40 3.63 -1.04 -1.26 -1.09 114.28 113.82 2pyt n THR 190 Ca -0.15 -1.16 0.02 0.00 -2.04 0.00 0.00 64.05 60.72 2pyt n THR 190 Cb 0.53 -0.80 -0.05 0.00 -1.82 0.00 0.00 70.33 68.19 2pyt n THR 190 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2pyt s ILE 192 N -1.43 -0.20 -0.25 12.58 1.01 -1.26 -4.96 121.20 126.69 2pyt s ILE 192 Ca 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 61.02 2pyt s ILE 192 Cb -0.03 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.46 2pyt s ILE 192 CO 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 174.94 175.14 2pyt s ALA 193 N 1.94 2.72 0.68 9.38 0.00 -0.02 -4.98 121.76 131.48 2pyt s ALA 193 Ca -0.03 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 2pyt s ALA 193 Cb -0.03 -1.71 0.10 0.00 0.00 0.00 0.00 23.12 21.47 2pyt s ALA 193 CO -0.15 -0.80 0.94 0.15 0.00 0.00 0.00 175.76 175.90 2pyt s LYS 194 N 1.34 1.93 0.11 0.00 1.02 -1.26 -0.84 119.74 122.04 2pyt s LYS 194 Ca 0.01 -0.93 -0.33 0.00 0.02 0.00 0.00 55.97 54.73 2pyt s LYS 194 Cb -0.17 -2.35 -0.13 0.00 -0.52 0.00 0.00 37.83 34.67 2pyt s LYS 194 CO -0.04 -1.25 1.69 0.00 -0.92 0.00 0.00 175.35 174.83 2pyt n ALA 195 N -2.73 1.49 0.00 5.17 0.00 -0.91 -1.28 120.51 122.26 2pyt n ALA 195 Ca 0.12 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2pyt n ALA 195 Cb 0.60 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.62 2pyt n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pyt n GLY 196 N 3.79 0.73 3.93 0.00 0.00 -0.25 -5.00 105.19 108.39 2pyt n GLY 196 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 2pyt n GLY 196 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pyt s ASP 197 N -1.81 6.32 0.38 1.61 1.01 -0.40 -4.91 116.67 118.87 2pyt s ASP 197 Ca 0.00 0.52 0.00 0.00 0.71 0.00 0.00 52.55 53.78 2pyt s ASP 197 Cb 0.00 -2.06 -0.00 0.00 1.01 0.00 0.00 42.92 41.87 2pyt s ASP 197 CO 0.00 -0.28 0.01 0.52 0.21 0.00 0.00 175.17 175.62 2pyt n VAL 198 N -1.63 0.00 -3.58 -1.27 0.31 -1.26 -2.03 118.33 108.87 2pyt n VAL 198 Ca -0.04 -1.82 -0.02 0.00 -0.01 0.00 0.00 64.34 62.45 2pyt n VAL 198 Cb 0.56 0.38 -0.05 0.00 -0.91 0.00 0.00 33.84 33.82 2pyt n VAL 198 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2pyt s PHE 200 N -2.41 -0.92 -0.21 3.52 5.36 -1.26 -4.97 117.98 117.08 2pyt s PHE 200 Ca 0.01 1.70 -0.02 0.00 -0.96 0.00 0.00 56.93 57.66 2pyt s PHE 200 Cb 0.00 0.55 0.01 0.00 -0.34 0.00 0.00 43.02 43.24 2pyt s PHE 200 CO 0.01 -0.46 -0.10 0.42 -1.46 0.00 0.00 175.22 173.63 2pyt s ILE 201 N 2.13 2.82 0.53 3.12 1.01 0.10 -5.01 121.20 125.90 2pyt s ILE 201 Ca -0.07 -0.74 -0.20 0.00 0.00 0.00 0.00 60.65 59.64 2pyt s ILE 201 Cb -0.07 -2.28 -0.06 0.00 0.01 0.00 0.00 42.46 40.06 2pyt s ILE 201 CO -0.18 0.43 1.17 -2.84 0.00 0.00 0.00 174.94 173.52 2pyt s PRO 202 N 1.39 3.37 0.33 2.79 0.02 -1.26 -1.28 135.00 140.35 2pyt s PRO 202 Ca 0.05 1.73 -0.28 0.00 0.02 0.00 0.00 61.00 62.52 2pyt s PRO 202 Cb -0.14 -2.10 -0.13 0.00 0.02 0.00 0.00 34.50 32.15 2pyt s PRO 202 CO -0.07 -0.86 1.13 1.17 -0.33 0.00 0.00 177.00 178.03 2pyt n LYS 203 N -1.14 1.67 0.00 5.54 4.81 -1.23 -2.44 118.16 125.37 2pyt n LYS 203 Ca 0.11 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 2pyt n LYS 203 Cb 0.50 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.48 2pyt n LYS 203 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pyt n GLY 204 N 1.03 2.15 3.71 3.14 0.00 0.10 -4.94 105.19 110.38 2pyt n GLY 204 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2pyt n GLY 204 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pyt s SER 205 N -2.08 6.82 -0.31 1.61 0.01 -1.02 -4.67 113.70 114.06 2pyt s SER 205 Ca 0.00 2.29 -0.16 0.00 1.31 0.00 0.00 55.95 59.39 2pyt s SER 205 Cb 0.00 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 2pyt s SER 205 CO 0.00 -0.68 0.43 -0.55 0.41 0.00 0.00 173.24 172.85 2pyt s SER 206 N 1.32 6.27 0.39 2.44 0.15 -1.26 -1.13 113.70 121.88 2pyt s SER 206 Ca 0.65 0.10 0.04 0.00 0.70 0.00 0.00 55.95 57.44 2pyt s SER 206 Cb -0.36 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 61.69 2pyt s SER 206 CO 0.30 -0.32 0.14 0.27 1.20 0.00 0.00 173.24 174.83 2pyt s ILE 207 N 2.18 0.54 -0.17 6.45 -4.36 0.18 -4.58 121.20 121.44 2pyt s ILE 207 Ca 0.16 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.54 2pyt s ILE 207 Cb -0.16 -2.39 0.00 0.00 1.25 0.00 0.00 42.46 41.16 2pyt s ILE 207 CO 0.11 0.00 -0.14 -0.70 0.24 0.00 0.00 174.94 174.45 2pyt s GLU 208 N -3.70 3.22 -0.08 0.37 2.56 -0.38 -1.47 118.70 119.22 2pyt s GLU 208 Ca 0.27 -0.73 -0.11 0.00 0.00 0.00 0.00 54.97 54.39 2pyt s GLU 208 Cb 0.03 -2.69 -0.05 0.00 2.00 0.00 0.00 34.13 33.42 2pyt s GLU 208 CO 0.16 -0.06 0.27 -0.06 -0.56 0.00 0.00 175.26 175.02 2pyt s PHE 209 N 1.01 3.63 0.08 5.30 0.08 0.81 -1.46 117.98 127.43 2pyt s PHE 209 Ca -0.01 0.73 -0.27 0.00 0.12 0.00 0.00 56.93 57.49 2pyt s PHE 209 Cb -0.15 -2.15 0.09 0.00 -0.57 0.00 0.00 43.02 40.25 2pyt s PHE 209 CO -0.03 0.62 1.12 0.20 -0.10 0.00 0.00 175.22 177.03 2pyt s GLY 210 N -0.81 -0.25 -0.10 4.36 0.00 0.18 -0.35 107.32 110.34 2pyt s GLY 210 Ca 0.19 0.28 -0.07 0.00 0.00 0.00 0.00 44.72 45.12 2pyt s GLY 210 CO 0.08 0.65 0.25 -1.08 0.00 0.00 0.00 173.10 173.00 2pyt s THR 211 N -2.74 -0.02 -0.47 0.90 -1.32 -0.68 -0.89 115.64 110.42 2pyt s THR 211 Ca 0.15 0.07 0.26 0.00 -1.21 0.00 0.00 61.69 60.96 2pyt s THR 211 Cb 0.01 -0.37 0.31 0.00 -1.51 0.00 0.00 72.50 70.94 2pyt s THR 211 CO 0.00 0.03 1.75 1.55 -2.21 0.00 0.00 174.62 175.74 2pyt h PRO 212 N 6.44 0.00 0.00 7.08 0.13 -1.86 -1.84 132.00 141.94 2pyt h PRO 212 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2pyt h PRO 212 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2pyt h PRO 212 CO 0.36 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.38 2pyt n THR 213 N -2.60 0.00 -3.61 1.56 -2.24 -1.26 -4.48 114.28 101.64 2pyt n THR 213 Ca 0.04 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 2pyt n THR 213 Cb 0.39 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 2pyt n THR 213 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pyt s SER 214 N 1.00 -0.32 -0.10 3.42 1.04 -1.26 -0.56 113.70 116.93 2pyt s SER 214 Ca 0.00 -0.29 -0.20 0.00 0.48 0.00 0.00 55.95 55.94 2pyt s SER 214 Cb 0.00 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.70 2pyt s SER 214 CO 0.00 -0.93 0.48 0.54 0.98 0.00 0.00 173.24 174.30 2pyt s VAL 215 N -3.81 0.02 -0.05 5.02 0.11 -0.72 -1.65 120.40 119.31 2pyt s VAL 215 Ca 0.04 -0.16 -0.00 0.00 -2.93 0.00 0.00 61.98 58.93 2pyt s VAL 215 Cb 0.00 -0.74 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 2pyt s VAL 215 CO -0.10 -0.09 -0.01 -0.60 -3.33 0.00 0.00 175.10 170.98 2pyt s ARG 216 N -0.60 0.57 0.03 1.54 3.52 -0.15 -2.29 118.95 121.57 2pyt s ARG 216 Ca -0.07 0.05 -0.15 0.00 -0.13 0.00 0.00 55.73 55.43 2pyt s ARG 216 Cb -0.03 -0.79 0.02 0.00 -1.56 0.00 0.00 34.95 32.59 2pyt s ARG 216 CO 0.04 -0.20 0.33 -0.59 -0.81 0.00 0.00 175.30 174.07 2pyt s PHE 217 N 1.42 -0.15 0.06 5.12 -0.71 -1.26 -0.10 117.98 122.37 2pyt s PHE 217 Ca -0.04 0.09 -0.22 0.00 -1.04 0.00 0.00 56.93 55.71 2pyt s PHE 217 Cb -0.13 0.12 -0.06 0.00 -1.21 0.00 0.00 43.02 41.74 2pyt s PHE 217 CO -0.03 -0.49 0.68 -1.17 -1.34 0.00 0.00 175.22 172.87 2pyt s LEU 218 N -1.89 4.49 0.05 -1.99 2.96 -1.26 -4.27 118.68 116.77 2pyt s LEU 218 Ca -0.07 1.37 0.07 0.00 -0.22 0.00 0.00 54.13 55.28 2pyt s LEU 218 Cb -0.02 -3.08 -0.03 0.00 0.50 0.00 0.00 46.19 43.56 2pyt s LEU 218 CO -0.01 0.14 -0.17 -0.72 -1.32 0.00 0.00 176.35 174.27 2pyt s TYR 219 N -0.57 2.60 -0.08 5.38 -0.85 0.07 -4.24 117.35 119.66 2pyt s TYR 219 Ca 0.34 -0.23 -0.01 0.00 -0.52 0.00 0.00 57.07 56.65 2pyt s TYR 219 Cb -0.20 -1.46 0.03 0.00 0.38 0.00 0.00 41.96 40.70 2pyt s TYR 219 CO 0.21 0.29 -0.03 0.08 -1.52 0.00 0.00 175.55 174.58 2pyt s VAL 220 N -0.97 0.61 0.06 -3.49 1.01 0.01 -1.66 120.40 115.98 2pyt s VAL 220 Ca 0.16 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.17 2pyt s VAL 220 Cb -0.11 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2pyt s VAL 220 CO 0.06 0.29 -0.22 0.00 0.00 0.00 0.00 175.10 175.23 2pyt s ALA 221 N 1.71 1.90 -0.04 5.51 0.00 0.17 -1.12 121.76 129.89 2pyt s ALA 221 Ca 0.02 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.86 2pyt s ALA 221 Cb -0.13 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.64 2pyt s ALA 221 CO -0.05 0.43 -0.09 -0.46 0.00 0.00 0.00 175.76 175.58 2pyt s TRP 222 N -0.86 1.09 0.73 0.00 -0.00 -0.82 -0.61 118.94 118.46 2pyt s TRP 222 Ca 0.09 -0.33 -0.11 0.00 -0.00 0.00 0.00 56.10 55.75 2pyt s TRP 222 Cb -0.09 -0.81 0.03 0.00 -0.00 0.00 0.00 33.47 32.59 2pyt s TRP 222 CO 0.02 -0.18 1.08 -1.25 -0.00 0.00 0.00 176.95 176.62 2pyt s PRO 223 N 0.50 2.63 0.42 5.86 0.04 -1.26 -0.83 135.00 142.36 2pyt s PRO 223 Ca -0.09 1.07 0.21 0.00 0.04 0.00 0.00 61.00 62.23 2pyt s PRO 223 Cb -0.12 -1.95 0.87 0.00 0.04 0.00 0.00 34.50 33.34 2pyt s PRO 223 CO 0.01 -1.34 1.82 0.00 0.04 0.00 0.00 177.00 177.53 2pyt h ALA 224 N -0.86 1.07 -0.91 8.56 0.00 -1.59 -3.28 119.26 122.26 2pyt h ALA 224 Ca -0.44 -0.26 -0.58 0.00 0.00 0.00 0.00 54.91 53.62 2pyt h ALA 224 Cb 1.22 -0.05 -0.30 0.00 0.00 0.00 0.00 17.79 18.67 2pyt h ALA 224 CO 0.54 0.36 0.51 0.27 0.00 0.00 0.00 179.25 180.94 2pyt n ASN 225 N -3.54 6.03 0.19 0.00 6.94 -1.26 -4.61 115.26 119.01 2pyt n ASN 225 Ca -0.00 -3.75 0.03 0.00 -0.02 0.00 0.00 54.58 50.84 2pyt n ASN 225 Cb 0.44 -0.83 0.40 0.00 -2.36 0.00 0.00 39.78 37.43 2pyt n ASN 225 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 2pyt h TRP 226 N 1.73 0.03 0.00 -2.53 5.08 -1.94 -3.54 115.95 114.77 2pyt h TRP 226 Ca 0.55 -0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.51 2pyt h TRP 226 Cb 1.42 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 27.57 2pyt h TRP 226 CO 1.36 0.32 0.00 1.04 -1.28 0.00 0.00 178.44 179.87