#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r s GLU 96 N 0.00 0.97 0.10 -2.82 -1.05 -1.08 -4.92 118.70 109.89 1n8r s GLU 96 Ca 0.00 -1.32 -0.30 0.00 -0.15 0.00 0.00 54.97 53.20 1n8r s GLU 96 Cb 0.00 -0.60 -0.06 0.00 -0.44 0.00 0.00 34.13 33.03 1n8r s GLU 96 CO 0.00 0.08 1.10 -0.51 0.95 0.00 0.00 175.26 176.88 1n8r s LEU 97 N -2.83 4.43 -0.03 1.83 1.43 -1.26 -0.63 118.68 121.61 1n8r s LEU 97 Ca 0.12 1.95 0.01 0.00 -1.03 0.00 0.00 54.13 55.18 1n8r s LEU 97 Cb 0.00 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.65 1n8r s LEU 97 CO 0.00 -0.30 -0.03 -1.10 0.23 0.00 0.00 176.35 175.15 1n8r s GLN 98 N 0.42 0.58 0.20 1.70 -1.52 -0.07 -4.93 119.66 116.04 1n8r s GLN 98 Ca 0.53 -0.08 -0.26 0.00 -1.95 0.00 0.00 55.36 53.60 1n8r s GLN 98 Cb -0.27 -0.62 -0.08 0.00 -0.22 0.00 0.00 33.01 31.81 1n8r s GLN 98 CO 0.31 -0.04 0.83 0.00 -0.25 0.00 0.00 175.29 176.14 1n8r s ALA 99 N 0.67 3.40 0.63 6.09 0.00 -1.26 -1.97 121.76 129.31 1n8r s ALA 99 Ca -0.08 0.44 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 1n8r s ALA 99 Cb -0.11 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 1n8r s ALA 99 CO -0.00 0.26 1.11 1.03 0.00 0.00 0.00 175.76 178.16 1n8r s ARG 100 N -1.27 2.95 0.84 0.00 0.52 -0.69 -4.89 118.95 116.41 1n8r s ARG 100 Ca 0.39 1.42 0.00 0.00 -0.52 0.00 0.00 55.73 57.01 1n8r s ARG 100 Cb -0.23 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.27 1n8r s ARG 100 CO 0.27 -1.13 0.00 0.41 0.02 0.00 0.00 175.30 174.87 1n8r n GLY 101 N -0.43 -1.85 2.73 -3.53 0.00 -1.26 -4.51 105.19 96.33 1n8r n GLY 101 Ca 0.10 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 1n8r n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n8r n LEU 102 N 0.00 6.04 -0.06 0.99 4.77 -1.26 -4.74 117.00 122.74 1n8r n LEU 102 Ca 0.00 -3.56 -0.00 0.00 -0.03 0.00 0.00 56.01 52.42 1n8r n LEU 102 Cb 0.12 -1.36 0.28 0.00 -2.33 0.00 0.00 43.42 40.13 1n8r n LEU 102 CO 0.00 0.78 1.02 0.74 -1.33 0.00 0.00 177.39 178.60 1n8r h THR 103 N 3.82 1.19 -0.00 -5.08 2.02 -1.90 -2.51 112.91 110.45 1n8r h THR 103 Ca 0.57 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1n8r h THR 103 Cb 0.47 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1n8r h THR 103 CO 1.80 0.24 -0.15 -0.62 0.37 0.00 0.00 175.52 177.15 1n8r n GLU 104 N -4.33 0.12 -1.69 6.66 -0.58 -1.26 -4.92 120.64 114.64 1n8r n GLU 104 Ca 0.03 -0.03 -0.44 0.00 -0.42 0.00 0.00 57.16 56.30 1n8r n GLU 104 Cb 0.18 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.53 1n8r n GLU 104 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1n8r n LYS 105 N -1.41 2.18 -4.80 3.49 4.81 -0.94 -5.00 118.16 116.49 1n8r n LYS 105 Ca 0.08 0.78 -0.29 0.00 -0.87 0.00 0.00 58.31 58.01 1n8r n LYS 105 Cb 0.32 -2.45 -0.14 0.00 0.02 0.00 0.00 35.03 32.78 1n8r n LYS 105 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1n8r s THR 106 N -0.21 2.02 0.51 3.15 2.01 -1.26 -5.02 115.64 116.84 1n8r s THR 106 Ca 0.65 -1.37 -0.10 0.00 0.31 0.00 0.00 61.69 61.19 1n8r s THR 106 Cb -0.61 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 1n8r s THR 106 CO 0.51 0.30 0.88 -2.16 -0.69 0.00 0.00 174.62 173.47 1n8r s PRO 107 N -1.29 3.67 -0.26 4.92 0.04 -1.26 -5.00 135.00 135.82 1n8r s PRO 107 Ca 0.11 0.53 -0.11 0.00 0.04 0.00 0.00 61.00 61.57 1n8r s PRO 107 Cb -0.10 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1n8r s PRO 107 CO 0.02 -0.29 0.19 0.16 0.04 0.00 0.00 177.00 177.13 1n8r s ASP 108 N -3.77 6.09 0.03 6.66 -4.77 -1.22 -5.03 116.67 114.65 1n8r s ASP 108 Ca 0.52 0.07 0.07 0.00 -3.30 0.00 0.00 52.55 49.91 1n8r s ASP 108 Cb -0.10 -2.12 -0.02 0.00 -1.09 0.00 0.00 42.92 39.58 1n8r s ASP 108 CO 0.43 -0.01 -0.21 -0.76 0.70 0.00 0.00 175.17 175.32 1n8r s LEU 109 N 1.45 2.13 1.00 2.11 1.43 -1.26 -4.91 118.68 120.64 1n8r s LEU 109 Ca 0.08 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 1n8r s LEU 109 Cb -0.15 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.09 1n8r s LEU 109 CO 0.08 0.18 0.04 -1.54 0.23 0.00 0.00 176.35 175.35 1n8r n SER 110 N 2.03 -2.74 -0.23 2.29 3.41 -1.26 -4.62 113.62 112.50 1n8r n SER 110 Ca -0.17 0.18 -0.07 0.00 -0.26 0.00 0.00 58.87 58.55 1n8r n SER 110 Cb 0.53 -1.05 0.04 0.00 -0.26 0.00 0.00 64.21 63.47 1n8r n SER 110 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1n8r h ASP 111 N -1.59 0.93 -0.07 4.04 3.32 -1.99 -2.07 116.42 118.99 1n8r h ASP 111 Ca -0.46 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.39 1n8r h ASP 111 Cb 1.31 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 1n8r h ASP 111 CO 0.33 0.88 0.04 -0.08 -1.72 0.00 0.00 179.24 178.69 1n8r h GLU 112 N 0.93 0.10 -0.89 3.56 4.57 -2.00 -2.34 114.58 118.51 1n8r h GLU 112 Ca 0.21 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.42 1n8r h GLU 112 Cb 0.27 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.79 1n8r h GLU 112 CO -0.01 0.14 0.57 -0.44 -1.18 0.00 0.00 179.01 178.10 1n8r h ASP 113 N 0.03 0.95 0.70 1.04 5.19 -1.84 -0.75 116.42 121.74 1n8r h ASP 113 Ca 0.03 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 1n8r h ASP 113 Cb 0.07 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 1n8r h ASP 113 CO -0.00 0.65 -0.18 0.00 -3.12 0.00 0.00 179.24 176.59 1n8r h ALA 114 N 1.37 1.11 -0.00 3.45 0.00 -1.22 0.10 119.26 124.07 1n8r h ALA 114 Ca 0.36 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1n8r h ALA 114 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1n8r h ALA 114 CO -0.12 0.22 -0.01 -0.09 0.00 0.00 0.00 179.25 179.25 1n8r h ARG 115 N 0.00 0.01 -0.96 0.00 2.43 -0.76 -1.93 114.38 113.17 1n8r h ARG 115 Ca -0.00 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1n8r h ARG 115 Cb 0.58 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 1n8r h ARG 115 CO 0.02 0.72 0.62 -0.07 -1.51 0.00 0.00 179.97 179.76 1n8r h LEU 116 N -0.71 1.04 -0.12 3.80 3.38 -0.92 0.90 115.31 122.69 1n8r h LEU 116 Ca -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n8r h LEU 116 Cb 0.73 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1n8r h LEU 116 CO 0.00 0.71 0.06 0.25 0.09 0.00 0.00 178.44 179.55 1n8r h LEU 117 N 1.21 0.15 -1.59 1.67 5.85 -0.82 -0.53 115.31 121.26 1n8r h LEU 117 Ca 0.38 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 1n8r h LEU 117 Cb 0.00 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1n8r h LEU 117 CO -0.12 0.22 -0.14 0.74 -0.34 0.00 0.00 178.44 178.79 1n8r h THR 118 N 0.08 1.13 -0.21 1.05 2.02 -0.62 -1.61 112.91 114.75 1n8r h THR 118 Ca 0.04 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 1n8r h THR 118 Cb 0.10 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1n8r h THR 118 CO -0.01 0.18 -0.12 -0.61 0.37 0.00 0.00 175.52 175.34 1n8r h GLN 119 N 0.08 0.44 -0.18 6.66 4.15 -0.33 -1.14 115.11 124.79 1n8r h GLN 119 Ca 0.02 -0.20 0.04 0.00 0.77 0.00 0.00 58.65 59.27 1n8r h GLN 119 Cb 0.30 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 1n8r h GLN 119 CO 0.02 0.75 -0.05 -0.09 -1.93 0.00 0.00 178.83 177.52 1n8r h ARG 120 N 0.14 -0.01 0.00 1.69 2.43 -0.61 0.18 114.38 118.20 1n8r h ARG 120 Ca 0.04 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1n8r h ARG 120 Cb 0.62 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1n8r h ARG 120 CO 0.03 -0.01 -0.08 1.25 -1.51 0.00 0.00 179.97 179.66 1n8r h HIS 121 N -0.01 0.00 0.20 2.20 2.76 -1.21 -2.02 115.15 117.06 1n8r h HIS 121 Ca 0.09 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.92 1n8r h HIS 121 Cb 0.15 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.12 1n8r h HIS 121 CO -0.21 0.08 -1.66 -0.09 -1.30 0.00 0.00 177.93 174.75 1n8r h ARG 122 N 0.00 0.42 -0.01 5.26 2.43 -0.10 -3.38 114.38 119.00 1n8r h ARG 122 Ca -0.00 -0.71 -0.09 0.00 -0.81 0.00 0.00 59.98 58.37 1n8r h ARG 122 Cb 0.15 0.27 0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1n8r h ARG 122 CO 0.01 1.34 -0.34 0.28 -1.51 0.00 0.00 179.97 179.76 1n8r h VAL 123 N 0.08 1.51 -0.37 0.20 2.07 -0.98 -3.50 116.25 115.26 1n8r h VAL 123 Ca -0.32 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1n8r h VAL 123 Cb 2.08 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 34.55 1n8r h VAL 123 CO 0.19 0.55 0.00 0.61 0.02 0.00 0.00 177.57 178.94 1n8r n GLY 124 N 1.03 -0.10 3.50 2.17 0.00 -0.76 -4.98 105.19 106.04 1n8r n GLY 124 Ca -0.10 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 1n8r n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n8r s LYS 125 N 0.00 1.23 0.84 1.61 -2.85 -1.26 -5.05 119.74 114.25 1n8r s LYS 125 Ca 0.00 -0.49 -0.11 0.00 -1.00 0.00 0.00 55.97 54.37 1n8r s LYS 125 Cb 0.00 0.54 0.10 0.00 -2.06 0.00 0.00 37.83 36.40 1n8r s LYS 125 CO 0.00 -0.54 1.09 -1.25 0.10 0.00 0.00 175.35 174.75 1n8r s PRO 126 N -3.61 1.72 0.49 1.78 0.04 -1.26 -4.92 135.00 129.25 1n8r s PRO 126 Ca 0.03 0.96 0.18 0.00 0.04 0.00 0.00 61.00 62.21 1n8r s PRO 126 Cb -0.02 -1.85 1.23 0.00 0.04 0.00 0.00 34.50 33.90 1n8r s PRO 126 CO -0.09 -1.96 2.08 1.96 0.04 0.00 0.00 177.00 179.03 1n8r h GLN 127 N -1.35 0.00 -6.34 4.56 4.20 -2.02 -3.46 115.11 110.69 1n8r h GLN 127 Ca -0.47 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 57.77 1n8r h GLN 127 Cb 1.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1n8r h GLN 127 CO 0.53 0.10 -0.87 1.19 -0.67 0.00 0.00 178.83 179.12 1n8r n PHE 128 N -4.24 -1.75 -3.51 2.96 0.99 -1.26 -4.96 117.46 105.69 1n8r n PHE 128 Ca -0.03 0.77 -0.23 0.00 -0.00 0.00 0.00 57.45 57.96 1n8r n PHE 128 Cb 0.18 -3.96 -0.01 0.00 -1.00 0.00 0.00 39.48 34.69 1n8r n PHE 128 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 1n8r s ASN 129 N -4.34 6.25 0.30 4.37 0.01 -1.26 -4.45 114.94 115.82 1n8r s ASN 129 Ca 0.02 0.31 -0.29 0.00 -0.71 0.00 0.00 52.86 52.19 1n8r s ASN 129 Cb -0.01 -1.92 -0.11 0.00 0.41 0.00 0.00 41.25 39.63 1n8r s ASN 129 CO 0.86 -0.27 1.46 -0.60 -1.51 0.00 0.00 177.10 177.04 1n8r s ARG 130 N -4.24 4.22 0.01 -0.60 3.52 -0.18 -4.87 118.95 116.80 1n8r s ARG 130 Ca 0.39 2.40 -0.37 0.00 -0.13 0.00 0.00 55.73 58.03 1n8r s ARG 130 Cb -0.09 -3.05 -0.16 0.00 -1.56 0.00 0.00 34.95 30.08 1n8r s ARG 130 CO 0.34 -0.45 1.47 0.00 -0.81 0.00 0.00 175.30 175.85 1n8r n GLN 131 N 1.62 1.28 -1.07 5.12 10.64 -1.26 -1.01 117.38 132.70 1n8r n GLN 131 Ca 0.05 0.47 -0.02 0.00 -1.83 0.00 0.00 57.00 55.66 1n8r n GLN 131 Cb 0.40 -2.14 -0.01 0.00 -0.86 0.00 0.00 30.24 27.63 1n8r n GLN 131 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1n8r n ASP 132 N 3.37 -5.12 -0.06 2.61 8.00 -1.26 -4.86 116.55 119.24 1n8r n ASP 132 Ca 0.20 0.06 0.24 0.00 0.71 0.00 0.00 54.79 56.01 1n8r n ASP 132 Cb 0.19 -2.84 0.72 0.00 -0.02 0.00 0.00 41.12 39.17 1n8r n ASP 132 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 1n8r h HIS 133 N 0.00 0.00 0.00 1.24 2.07 -1.33 0.28 115.15 117.41 1n8r h HIS 133 Ca -0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.47 1n8r h HIS 133 Cb 0.77 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.75 1n8r h HIS 133 CO 0.45 0.00 0.00 -2.39 -3.07 0.00 0.00 177.93 172.92 1n8r n HIS 134 N -4.06 0.00 0.07 6.12 1.44 -1.26 -3.58 115.22 113.96 1n8r n HIS 134 Ca 0.13 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.96 1n8r n HIS 134 Cb 0.80 -0.45 -0.06 0.00 0.12 0.00 0.00 29.99 30.40 1n8r n HIS 134 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1n8r n LYS 135 N -1.45 0.62 -3.67 -1.40 5.02 0.97 -4.88 118.16 113.37 1n8r n LYS 135 Ca 0.09 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.24 1n8r n LYS 135 Cb 0.31 -1.71 -0.14 0.00 -0.02 0.00 0.00 35.03 33.47 1n8r n LYS 135 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1n8r s LYS 136 N -3.42 0.13 0.45 1.97 2.47 -1.22 -5.02 119.74 115.09 1n8r s LYS 136 Ca -0.03 0.70 0.17 0.00 -1.56 0.00 0.00 55.97 55.25 1n8r s LYS 136 Cb 0.11 -0.09 1.12 0.00 -1.46 0.00 0.00 37.83 37.51 1n8r s LYS 136 CO 0.84 -0.28 1.96 0.87 0.16 0.00 0.00 175.35 178.89 1n8r h LYS 137 N 8.25 0.32 0.00 4.03 1.57 -1.90 0.26 116.57 129.10 1n8r h LYS 137 Ca -0.15 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1n8r h LYS 137 Cb 1.12 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1n8r h LYS 137 CO 0.15 0.21 -0.00 0.07 -0.57 0.00 0.00 179.45 179.30 1n8r h ARG 138 N 0.32 0.00 -5.25 3.15 0.11 -1.95 -3.39 114.38 107.36 1n8r h ARG 138 Ca 0.31 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.73 1n8r h ARG 138 Cb 0.76 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 31.69 1n8r h ARG 138 CO -0.08 0.00 -0.00 0.08 0.10 0.00 0.00 179.97 180.07 1n8r s VAL 139 N -3.80 4.95 0.79 0.08 1.01 0.08 -5.06 120.40 118.45 1n8r s VAL 139 Ca -0.00 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 1n8r s VAL 139 Cb 0.10 -4.07 0.07 0.00 0.00 0.00 0.00 36.38 32.48 1n8r s VAL 139 CO 0.51 -0.39 1.15 -0.94 0.00 0.00 0.00 175.10 175.43 1n8r s SER 140 N 1.86 4.61 0.31 3.32 1.04 -1.26 -4.62 113.70 118.95 1n8r s SER 140 Ca 0.19 0.76 0.08 0.00 0.48 0.00 0.00 55.95 57.46 1n8r s SER 140 Cb -0.15 -1.29 0.49 0.00 0.10 0.00 0.00 66.02 65.17 1n8r s SER 140 CO 0.15 -1.83 1.72 0.00 0.98 0.00 0.00 173.24 174.26 1n8r h THR 141 N -0.97 1.31 -1.57 2.02 1.03 -1.92 -3.41 112.91 109.41 1n8r h THR 141 Ca -0.46 -1.52 -0.68 0.00 -0.01 0.00 0.00 66.41 63.74 1n8r h THR 141 Cb 1.32 1.72 0.08 0.00 -1.07 0.00 0.00 68.15 70.20 1n8r h THR 141 CO 0.65 0.45 0.09 -0.24 -0.01 0.00 0.00 175.52 176.46 1n8r n SER 142 N -4.02 0.61 -4.73 0.00 2.88 -1.26 -1.01 113.62 106.09 1n8r n SER 142 Ca -0.02 1.14 -0.42 0.00 -1.33 0.00 0.00 58.87 58.25 1n8r n SER 142 Cb 0.48 -1.10 -0.03 0.00 -0.75 0.00 0.00 64.21 62.80 1n8r n SER 142 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1n8r s TRP 143 N -0.27 3.26 -0.03 0.66 -0.11 -1.26 -4.00 118.94 117.19 1n8r s TRP 143 Ca 0.76 1.14 0.00 0.00 1.22 0.00 0.00 56.10 59.21 1n8r s TRP 143 Cb -0.96 -3.62 0.03 0.00 -1.50 0.00 0.00 33.47 27.42 1n8r s TRP 143 CO 0.54 -2.02 0.01 1.03 -4.62 0.00 0.00 176.95 171.88 1n8r s ARG 144 N 0.33 0.29 0.00 5.86 1.81 -1.26 -4.96 118.95 121.01 1n8r s ARG 144 Ca 0.59 0.11 -0.34 0.00 -1.72 0.00 0.00 55.73 54.37 1n8r s ARG 144 Cb -0.36 -0.52 -0.12 0.00 -0.45 0.00 0.00 34.95 33.49 1n8r s ARG 144 CO 0.35 -0.17 1.78 1.17 -0.68 0.00 0.00 175.30 177.75 1n8r n LYS 145 N 4.33 2.19 -1.91 3.54 4.81 -1.26 -4.68 118.16 125.18 1n8r n LYS 145 Ca -0.23 0.80 -0.43 0.00 -0.87 0.00 0.00 58.31 57.58 1n8r n LYS 145 Cb 0.50 -2.62 -0.03 0.00 0.02 0.00 0.00 35.03 32.91 1n8r n LYS 145 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1n8r s PRO 146 N 2.99 3.38 0.13 1.64 0.04 -1.26 -4.84 135.00 137.08 1n8r s PRO 146 Ca 0.88 1.65 0.23 0.00 0.04 0.00 0.00 61.00 63.80 1n8r s PRO 146 Cb -0.68 -4.22 -0.04 0.00 0.04 0.00 0.00 34.50 29.61 1n8r s PRO 146 CO 0.47 -1.80 0.95 0.54 0.04 0.00 0.00 177.00 177.19 1n8r n ARG 147 N 8.37 0.54 -1.67 4.56 5.12 -1.26 -4.63 116.66 127.69 1n8r n ARG 147 Ca 0.24 0.04 -0.48 0.00 -1.93 0.00 0.00 57.85 55.72 1n8r n ARG 147 Cb 0.46 -1.72 -0.05 0.00 -1.16 0.00 0.00 32.46 29.99 1n8r n ARG 147 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1n8r n GLY 148 N 1.24 1.27 0.41 -0.13 0.00 -1.26 -4.83 105.19 101.89 1n8r n GLY 148 Ca -0.00 0.77 0.22 0.00 0.00 0.00 0.00 46.02 47.01 1n8r n GLY 148 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1n8r h GLN 149 N 7.60 0.00 -0.15 1.61 1.08 -2.03 0.26 115.11 123.48 1n8r h GLN 149 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1n8r h GLN 149 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 1n8r h GLN 149 CO 0.92 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 180.08 1n8r n LEU 150 N -3.63 2.24 -4.63 1.46 4.77 -1.26 -4.99 117.00 110.95 1n8r n LEU 150 Ca 0.10 -1.61 -0.48 0.00 -0.03 0.00 0.00 56.01 53.99 1n8r n LEU 150 Cb 0.77 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.72 1n8r n LEU 150 CO 0.27 0.53 1.04 -0.24 -1.33 0.00 0.00 177.39 177.65 1n8r n SER 151 N 0.29 2.39 0.08 -1.43 2.88 0.91 -4.86 113.62 113.88 1n8r n SER 151 Ca 0.07 1.10 -0.04 0.00 -1.33 0.00 0.00 58.87 58.67 1n8r n SER 151 Cb 0.30 -1.32 0.15 0.00 -0.75 0.00 0.00 64.21 62.59 1n8r n SER 151 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1n8r h LYS 152 N 5.11 0.26 0.62 -1.46 1.79 -1.96 -2.08 116.57 118.85 1n8r h LYS 152 Ca -0.46 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 57.82 1n8r h LYS 152 Cb 1.29 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.97 1n8r h LYS 152 CO 0.82 0.73 -0.30 0.37 -1.08 0.00 0.00 179.45 180.00 1n8r h GLN 153 N 0.20 -0.80 -1.30 3.15 4.15 -1.88 -1.56 115.11 117.08 1n8r h GLN 153 Ca 0.00 0.05 0.41 0.00 0.77 0.00 0.00 58.65 59.89 1n8r h GLN 153 Cb 1.01 0.18 -0.12 0.00 0.21 0.00 0.00 27.48 28.76 1n8r h GLN 153 CO 0.08 -0.53 0.84 -0.09 -1.93 0.00 0.00 178.83 177.21 1n8r h ARG 154 N -1.22 0.12 -0.00 1.69 2.43 -1.81 2.63 114.38 118.22 1n8r h ARG 154 Ca -0.08 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1n8r h ARG 154 Cb 0.64 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1n8r h ARG 154 CO 0.14 0.08 -0.05 0.54 -1.51 0.00 0.00 179.97 179.16 1n8r n ARG 155 N -4.65 0.09 -2.69 0.20 1.74 -0.79 -4.92 116.66 105.64 1n8r n ARG 155 Ca 0.36 -0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 57.35 1n8r n ARG 155 Cb 1.37 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 31.34 1n8r n ARG 155 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n8r n GLY 156 N 1.46 0.21 3.68 -0.13 0.00 0.88 -4.98 105.19 106.31 1n8r n GLY 156 Ca 0.08 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1n8r n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8r s ILE 157 N -3.14 4.88 0.09 -0.61 1.01 -0.62 -4.96 121.20 117.86 1n8r s ILE 157 Ca 0.08 1.71 -0.33 0.00 0.00 0.00 0.00 60.65 62.11 1n8r s ILE 157 Cb -0.03 -4.17 -0.12 0.00 0.01 0.00 0.00 42.46 38.14 1n8r s ILE 157 CO 0.28 0.05 1.74 1.17 0.00 0.00 0.00 174.94 178.19 1n8r n LYS 158 N 4.98 2.38 0.00 2.79 4.81 -1.26 -1.63 118.16 130.23 1n8r n LYS 158 Ca 0.05 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 1n8r n LYS 158 Cb 0.49 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.85 1n8r n LYS 158 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n8r n GLY 159 N 3.93 2.38 1.09 3.14 0.00 -1.26 -4.96 105.19 109.52 1n8r n GLY 159 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1n8r n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n8r n LYS 160 N -0.42 2.51 0.00 1.61 4.76 -0.65 -5.04 118.16 120.94 1n8r n LYS 160 Ca 0.00 -2.04 0.00 0.00 -2.87 0.00 0.00 58.31 53.40 1n8r n LYS 160 Cb 0.00 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 1n8r n LYS 160 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n8r n GLY 161 N 1.26 0.01 3.76 0.72 0.00 -1.26 -4.68 105.19 105.00 1n8r n GLY 161 Ca 0.19 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 1n8r n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n8r s ASP 162 N -1.50 7.31 -0.05 1.61 1.01 -1.26 -4.92 116.67 118.88 1n8r s ASP 162 Ca 0.00 2.10 -0.13 0.00 0.71 0.00 0.00 52.55 55.23 1n8r s ASP 162 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 1n8r s ASP 162 CO 0.00 -0.10 0.35 -0.89 0.21 0.00 0.00 175.17 174.74 1n8r s THR 163 N -1.29 5.17 0.13 -1.27 2.01 -1.26 -4.85 115.64 114.28 1n8r s THR 163 Ca 0.46 0.69 -0.32 0.00 0.31 0.00 0.00 61.69 62.83 1n8r s THR 163 Cb -0.27 -3.65 -0.11 0.00 0.01 0.00 0.00 72.50 68.47 1n8r s THR 163 CO 0.35 0.55 1.79 0.52 -0.69 0.00 0.00 174.62 177.13 1n8r n VAL 164 N 2.20 0.27 -3.91 3.82 0.31 -1.26 -4.98 118.33 114.78 1n8r n VAL 164 Ca -0.14 -0.05 -0.09 0.00 -0.01 0.00 0.00 64.34 64.05 1n8r n VAL 164 Cb 0.53 -2.02 -0.08 0.00 -0.91 0.00 0.00 33.84 31.36 1n8r n VAL 164 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1n8r s GLU 165 N 2.30 0.85 0.57 5.55 2.02 -1.26 -5.02 118.70 123.71 1n8r s GLU 165 Ca 0.81 -1.04 0.34 0.00 0.02 0.00 0.00 54.97 55.10 1n8r s GLU 165 Cb -0.52 0.32 1.69 0.00 0.10 0.00 0.00 34.13 35.73 1n8r s GLU 165 CO 0.37 -0.26 2.13 0.00 0.02 0.00 0.00 175.26 177.52 1n8r h ALA 166 N 2.79 1.12 -0.02 5.21 0.00 -2.01 -2.39 119.26 123.96 1n8r h ALA 166 Ca -0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1n8r h ALA 166 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1n8r h ALA 166 CO 0.57 0.07 0.07 0.78 0.00 0.00 0.00 179.25 180.74 1n8r h GLY 167 N 0.97 0.00 0.53 0.00 0.00 -1.97 -2.15 103.07 100.45 1n8r h GLY 167 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n8r h GLY 167 CO 0.01 0.00 -0.25 0.69 0.00 0.00 0.00 176.54 176.98 1n8r n PHE 168 N -3.22 0.00 -1.22 5.60 3.01 -0.90 -4.96 117.46 115.77 1n8r n PHE 168 Ca -0.02 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.08 1n8r n PHE 168 Cb 0.14 -0.16 0.07 0.00 -0.01 0.00 0.00 39.48 39.53 1n8r n PHE 168 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1n8r n ARG 169 N -0.86 0.25 -3.05 -1.08 5.12 -0.81 -5.00 116.66 111.24 1n8r n ARG 169 Ca 0.12 0.13 -0.26 0.00 -1.93 0.00 0.00 57.85 55.90 1n8r n ARG 169 Cb 0.33 -1.84 -0.01 0.00 -1.16 0.00 0.00 32.46 29.78 1n8r n ARG 169 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1n8r s SER 170 N -1.53 6.30 0.16 0.55 1.04 -1.26 -5.01 113.70 113.95 1n8r s SER 170 Ca 0.65 0.69 -0.34 0.00 0.48 0.00 0.00 55.95 57.43 1n8r s SER 170 Cb -0.34 -2.14 -0.15 0.00 0.10 0.00 0.00 66.02 63.49 1n8r s SER 170 CO 0.59 -0.41 1.30 -2.65 0.98 0.00 0.00 173.24 173.05 1n8r n PRO 171 N -1.90 1.41 -0.19 4.02 -0.02 -1.26 -4.73 135.00 132.33 1n8r n PRO 171 Ca -0.02 0.50 -0.08 0.00 -2.02 0.00 0.00 63.50 61.88 1n8r n PRO 171 Cb 0.55 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1n8r n PRO 171 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1n8r h THR 172 N 3.03 0.10 -0.59 3.45 2.02 -1.96 -0.27 112.91 118.68 1n8r h THR 172 Ca -0.45 0.00 0.17 0.00 0.77 0.00 0.00 66.41 66.90 1n8r h THR 172 Cb 1.32 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1n8r h THR 172 CO 0.75 0.00 0.48 0.00 0.37 0.00 0.00 175.52 177.12 1n8r h ALA 173 N 0.61 2.47 0.00 6.16 0.00 -2.00 -3.05 119.26 123.45 1n8r h ALA 173 Ca 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1n8r h ALA 173 Cb 0.57 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1n8r h ALA 173 CO -0.67 -0.78 -1.34 0.28 0.00 0.00 0.00 179.25 176.74 1n8r n VAL 174 N -4.13 0.01 -1.61 0.00 0.31 -0.84 -5.00 118.33 107.06 1n8r n VAL 174 Ca 0.11 -0.17 -0.63 0.00 -0.01 0.00 0.00 64.34 63.64 1n8r n VAL 174 Cb 0.71 0.31 -0.09 0.00 -0.91 0.00 0.00 33.84 33.86 1n8r n VAL 174 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1n8r n ARG 175 N -1.77 0.00 -0.62 5.55 0.63 -0.17 -0.68 116.66 119.60 1n8r n ARG 175 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1n8r n ARG 175 Cb 0.20 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.61 1n8r n ARG 175 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1n8r n GLY 176 N 2.64 0.80 3.75 5.14 0.00 -1.26 -5.05 105.19 111.22 1n8r n GLY 176 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1n8r n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n8r s LYS 177 N -0.38 4.70 0.86 1.61 1.02 0.14 -4.66 119.74 123.03 1n8r s LYS 177 Ca 0.00 1.35 -0.13 0.00 0.02 0.00 0.00 55.97 57.21 1n8r s LYS 177 Cb 0.00 -3.31 0.06 0.00 -0.52 0.00 0.00 37.83 34.06 1n8r s LYS 177 CO 0.00 0.42 0.85 1.58 -0.92 0.00 0.00 175.35 177.28 1n8r n HIS 178 N 2.02 0.07 0.29 3.18 -0.00 -0.04 -4.75 115.22 115.99 1n8r n HIS 178 Ca -0.02 0.35 0.19 0.00 -0.00 0.00 0.00 57.72 58.24 1n8r n HIS 178 Cb 0.48 -1.96 1.03 0.00 -0.00 0.00 0.00 29.99 29.54 1n8r n HIS 178 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1n8r h PRO 179 N -1.20 0.00 0.00 1.57 0.13 -1.95 0.19 132.00 130.74 1n8r h PRO 179 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1n8r h PRO 179 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1n8r h PRO 179 CO 0.41 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.84 1n8r h SER 180 N 0.00 0.00 0.00 1.44 4.64 -2.01 -3.46 113.55 114.16 1n8r h SER 180 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n8r h SER 180 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1n8r h SER 180 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1n8r n GLY 181 N 0.73 0.59 3.77 -0.77 0.00 0.68 -4.59 105.19 105.60 1n8r n GLY 181 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1n8r n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n8r s PHE 182 N -2.12 2.85 0.01 1.61 2.99 -1.26 -4.70 117.98 117.36 1n8r s PHE 182 Ca 0.00 1.55 -0.15 0.00 0.00 0.00 0.00 56.93 58.33 1n8r s PHE 182 Cb 0.00 -3.30 -0.06 0.00 0.00 0.00 0.00 43.02 39.66 1n8r s PHE 182 CO 0.00 -1.40 0.43 -1.21 -0.00 0.00 0.00 175.22 173.05 1n8r s GLU 183 N -2.93 3.97 0.28 0.44 0.41 -1.12 -0.86 118.70 118.89 1n8r s GLU 183 Ca 0.67 0.46 -0.08 0.00 -0.41 0.00 0.00 54.97 55.61 1n8r s GLU 183 Cb -0.25 -3.23 -0.06 0.00 -1.78 0.00 0.00 34.13 28.80 1n8r s GLU 183 CO 0.30 0.67 0.58 -1.21 -0.49 0.00 0.00 175.26 175.12 1n8r s GLU 184 N -1.04 3.74 -0.06 1.61 2.02 -1.26 -1.82 118.70 121.88 1n8r s GLU 184 Ca 0.24 0.20 -0.01 0.00 0.02 0.00 0.00 54.97 55.43 1n8r s GLU 184 Cb -0.17 -2.61 0.03 0.00 0.10 0.00 0.00 34.13 31.48 1n8r s GLU 184 CO 0.14 0.23 -0.01 0.08 0.02 0.00 0.00 175.26 175.71 1n8r s VAL 185 N -2.00 0.42 -0.11 2.63 1.01 -0.92 -4.93 120.40 116.50 1n8r s VAL 185 Ca 0.47 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 1n8r s VAL 185 Cb -0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 1n8r s VAL 185 CO 0.26 0.24 1.20 -0.60 0.00 0.00 0.00 175.10 176.20 1n8r s ARG 186 N 1.59 4.30 -0.06 2.72 6.06 -1.26 -1.55 118.95 130.75 1n8r s ARG 186 Ca -0.01 1.63 0.05 0.00 -2.50 0.00 0.00 55.73 54.90 1n8r s ARG 186 Cb -0.13 -3.64 -0.00 0.00 0.06 0.00 0.00 34.95 31.24 1n8r s ARG 186 CO -0.04 -0.55 -0.21 0.54 -2.50 0.00 0.00 175.30 172.54 1n8r s VAL 187 N 2.75 1.80 -0.11 7.11 0.11 -0.62 -4.95 120.40 126.50 1n8r s VAL 187 Ca 0.54 -0.90 0.09 0.00 -2.93 0.00 0.00 61.98 58.77 1n8r s VAL 187 Cb -0.22 -1.54 -0.13 0.00 -1.53 0.00 0.00 36.38 32.96 1n8r s VAL 187 CO 0.18 0.50 0.23 1.41 -3.33 0.00 0.00 175.10 174.10 1n8r n HIS 188 N 3.20 0.00 -3.36 1.54 8.25 -1.26 -1.13 115.22 122.46 1n8r n HIS 188 Ca -0.18 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.25 1n8r n HIS 188 Cb 0.52 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1n8r n HIS 188 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1n8r n ASN 189 N -1.66 -0.58 -0.08 0.41 2.04 -1.26 -4.90 115.26 109.23 1n8r n ASN 189 Ca -0.01 -1.48 -0.11 0.00 -0.44 0.00 0.00 54.58 52.54 1n8r n ASN 189 Cb 0.21 0.98 0.03 0.00 -2.53 0.00 0.00 39.78 38.46 1n8r n ASN 189 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 1n8r h VAL 190 N 1.28 1.28 0.00 3.53 2.07 -1.95 -3.02 116.25 119.45 1n8r h VAL 190 Ca -0.09 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 1n8r h VAL 190 Cb 0.35 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1n8r h VAL 190 CO 0.12 0.51 -0.03 0.44 0.02 0.00 0.00 177.57 178.63 1n8r h ASP 191 N 0.67 0.00 0.79 0.57 3.32 -1.99 -1.69 116.42 118.08 1n8r h ASP 191 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1n8r h ASP 191 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1n8r h ASP 191 CO 0.09 0.03 0.00 0.44 -1.72 0.00 0.00 179.24 178.07 1n8r h ASP 192 N 0.00 0.00 1.31 6.45 3.32 -1.94 -2.48 116.42 123.08 1n8r h ASP 192 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n8r h ASP 192 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1n8r h ASP 192 CO 0.00 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.45 1n8r h LEU 193 N 0.00 0.00 -9.29 1.55 3.38 -1.45 -3.45 115.31 106.06 1n8r h LEU 193 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1n8r h LEU 193 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1n8r h LEU 193 CO 0.00 0.00 0.82 -0.70 0.09 0.00 0.00 178.44 178.65 1n8r s GLU 194 N -3.39 4.29 0.00 1.13 2.12 -0.94 -2.68 118.70 119.23 1n8r s GLU 194 Ca 0.05 1.80 0.00 0.00 0.36 0.00 0.00 54.97 57.17 1n8r s GLU 194 Cb 0.08 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.83 1n8r s GLU 194 CO 0.56 -0.58 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 1n8r n GLY 195 N 3.56 0.46 3.69 -1.50 0.00 -1.26 -5.07 105.19 105.08 1n8r n GLY 195 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1n8r n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8r s VAL 196 N -2.00 4.99 -0.63 1.61 1.01 -1.09 -5.02 120.40 119.27 1n8r s VAL 196 Ca 0.00 1.47 -0.22 0.00 0.00 0.00 0.00 61.98 63.23 1n8r s VAL 196 Cb 0.00 -4.06 0.07 0.00 0.00 0.00 0.00 36.38 32.39 1n8r s VAL 196 CO 0.00 0.17 0.92 -0.62 0.00 0.00 0.00 175.10 175.56 1n8r s ASP 197 N 0.96 6.19 0.66 3.32 -1.08 -1.26 -4.91 116.67 120.56 1n8r s ASP 197 Ca 0.37 -0.98 0.36 0.00 -0.52 0.00 0.00 52.55 51.78 1n8r s ASP 197 Cb -0.17 -2.40 1.98 0.00 -1.46 0.00 0.00 42.92 40.87 1n8r s ASP 197 CO 0.16 -1.36 2.13 1.23 0.52 0.00 0.00 175.17 177.85 1n8r h GLY 198 N 11.08 0.00 1.36 2.66 0.00 -1.75 1.74 103.07 118.17 1n8r h GLY 198 Ca -0.29 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.76 1n8r h GLY 198 CO 1.15 0.00 -1.21 -0.55 0.00 0.00 0.00 176.54 175.94 1n8r h ASP 199 N 0.00 0.74 0.03 0.19 3.32 -1.91 -3.39 116.42 115.40 1n8r h ASP 199 Ca 0.01 -0.69 -0.38 0.00 0.02 0.00 0.00 57.03 55.99 1n8r h ASP 199 Cb 0.37 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 1n8r h ASP 199 CO -0.00 1.51 -2.39 0.41 -1.72 0.00 0.00 179.24 177.05 1n8r n THR 200 N -3.73 1.47 -4.70 0.35 -1.04 -0.28 -3.45 114.28 102.90 1n8r n THR 200 Ca -0.12 -0.70 -0.30 0.00 -2.04 0.00 0.00 64.05 60.89 1n8r n THR 200 Cb 0.97 -1.03 -0.13 0.00 -1.82 0.00 0.00 70.33 68.33 1n8r n THR 200 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1n8r s GLU 201 N -2.51 1.95 0.12 -2.82 2.02 0.58 -2.80 118.70 115.24 1n8r s GLU 201 Ca -0.23 -1.04 0.09 0.00 0.02 0.00 0.00 54.97 53.81 1n8r s GLU 201 Cb 0.08 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 32.15 1n8r s GLU 201 CO 0.71 0.53 -0.17 0.00 0.02 0.00 0.00 175.26 176.34 1n8r s ALA 202 N -0.91 2.70 -0.06 5.21 0.00 -0.76 -4.10 121.76 123.84 1n8r s ALA 202 Ca 0.14 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1n8r s ALA 202 Cb -0.10 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 1n8r s ALA 202 CO 0.05 0.59 -0.03 0.54 0.00 0.00 0.00 175.76 176.90 1n8r s VAL 203 N -1.19 4.00 -0.29 0.00 0.11 -0.58 -2.17 120.40 120.28 1n8r s VAL 203 Ca 0.18 -0.42 -0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1n8r s VAL 203 Cb -0.10 -2.68 0.06 0.00 -1.53 0.00 0.00 36.38 32.12 1n8r s VAL 203 CO 0.10 0.56 -0.02 -0.60 -3.33 0.00 0.00 175.10 171.81 1n8r s ARG 204 N -0.97 2.34 -0.14 1.54 3.52 -0.60 -1.40 118.95 123.24 1n8r s ARG 204 Ca 0.14 -1.33 -0.29 0.00 -0.13 0.00 0.00 55.73 54.12 1n8r s ARG 204 Cb -0.11 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 1n8r s ARG 204 CO 0.03 -0.63 1.51 0.42 -0.81 0.00 0.00 175.30 175.82 1n8r s ILE 205 N 1.20 3.84 0.36 4.11 1.01 -1.26 -1.59 121.20 128.86 1n8r s ILE 205 Ca -0.05 1.00 -0.23 0.00 0.00 0.00 0.00 60.65 61.36 1n8r s ILE 205 Cb -0.20 -3.71 -0.15 0.00 0.01 0.00 0.00 42.46 38.41 1n8r s ILE 205 CO -0.02 -0.16 0.29 0.00 0.00 0.00 0.00 174.94 175.04 1n8r n ALA 206 N 7.34 -2.63 0.20 9.38 0.00 -0.29 -4.83 120.51 129.68 1n8r n ALA 206 Ca 0.17 0.20 0.05 0.00 0.00 0.00 0.00 53.44 53.86 1n8r n ALA 206 Cb 0.44 -1.57 0.42 0.00 0.00 0.00 0.00 19.45 18.74 1n8r n ALA 206 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1n8r h SER 207 N 0.60 0.00 0.29 0.00 4.64 -1.92 -3.09 113.55 114.07 1n8r h SER 207 Ca -0.36 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.91 1n8r h SER 207 Cb 1.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 1n8r h SER 207 CO 0.50 0.33 -0.27 0.11 -0.87 0.00 0.00 176.83 176.64 1n8r h LYS 208 N 0.00 0.00 -6.67 4.77 1.57 -1.99 -3.44 116.57 110.82 1n8r h LYS 208 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1n8r h LYS 208 Cb 0.68 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.08 1n8r h LYS 208 CO 0.04 0.27 0.65 0.28 -0.57 0.00 0.00 179.45 180.12 1n8r n VAL 209 N -4.16 1.20 -1.91 0.50 0.31 -1.17 -4.96 118.33 108.14 1n8r n VAL 209 Ca -0.02 -0.30 -0.29 0.00 -0.01 0.00 0.00 64.34 63.72 1n8r n VAL 209 Cb 0.32 -1.60 0.07 0.00 -0.91 0.00 0.00 33.84 31.72 1n8r n VAL 209 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1n8r s GLY 210 N 0.20 1.61 0.16 2.92 0.00 -1.26 -4.82 107.32 106.12 1n8r s GLY 210 Ca 0.64 -0.51 -0.18 0.00 0.00 0.00 0.00 44.72 44.67 1n8r s GLY 210 CO 0.52 -0.09 1.67 0.00 0.00 0.00 0.00 173.10 175.20 1n8r h ALA 211 N -0.85 0.18 -0.53 3.20 0.00 -1.98 0.17 119.26 119.45 1n8r h ALA 211 Ca -0.45 0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.69 1n8r h ALA 211 Cb 1.29 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 19.30 1n8r h ALA 211 CO 0.65 -0.49 -0.04 -0.09 0.00 0.00 0.00 179.25 179.27 1n8r h ARG 212 N -0.04 0.07 0.00 0.00 2.43 -2.01 0.31 114.38 115.14 1n8r h ARG 212 Ca 0.17 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.20 1n8r h ARG 212 Cb 0.30 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1n8r h ARG 212 CO -0.37 0.05 -0.66 -0.22 -1.51 0.00 0.00 179.97 177.26 1n8r h LYS 213 N 0.07 0.00 0.37 0.20 3.64 -1.84 -3.24 116.57 115.78 1n8r h LYS 213 Ca 0.27 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1n8r h LYS 213 Cb 0.41 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1n8r h LYS 213 CO -0.48 0.66 -0.24 0.00 -2.27 0.00 0.00 179.45 177.12 1n8r h ARG 214 N 0.00 -0.56 -0.55 1.90 3.08 0.13 -1.25 114.38 117.12 1n8r h ARG 214 Ca -0.01 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.19 1n8r h ARG 214 Cb 1.30 0.13 -0.10 0.00 0.08 0.00 0.00 29.97 31.38 1n8r h ARG 214 CO 0.09 -0.37 -0.13 1.49 -1.07 0.00 0.00 179.97 179.97 1n8r h GLU 215 N -0.58 0.01 -0.61 0.04 4.81 -1.20 0.52 114.58 117.56 1n8r h GLU 215 Ca -0.04 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1n8r h GLU 215 Cb 0.49 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1n8r h GLU 215 CO 0.03 0.00 0.24 0.00 -0.73 0.00 0.00 179.01 178.56 1n8r h ARG 216 N 0.01 0.92 -0.62 1.92 3.08 -1.55 -1.48 114.38 116.66 1n8r h ARG 216 Ca 0.27 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1n8r h ARG 216 Cb 0.41 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1n8r h ARG 216 CO -0.56 0.79 0.22 0.82 -1.07 0.00 0.00 179.97 180.17 1n8r h ILE 217 N 0.86 1.24 -0.22 2.04 2.04 0.14 -2.56 117.51 121.04 1n8r h ILE 217 Ca 0.20 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 65.20 1n8r h ILE 217 Cb 0.21 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1n8r h ILE 217 CO -0.02 0.30 -0.21 -0.33 0.00 0.00 0.00 178.15 177.90 1n8r h GLU 218 N 0.87 0.39 0.12 2.37 5.08 0.24 -1.41 114.58 122.24 1n8r h GLU 218 Ca 0.20 -0.13 -0.29 0.00 -1.00 0.00 0.00 59.36 58.15 1n8r h GLU 218 Cb 0.25 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.49 1n8r h GLU 218 CO -0.01 0.58 -1.23 1.05 -1.00 0.00 0.00 179.01 178.40 1n8r h GLU 219 N 0.35 0.52 0.00 2.33 4.11 -1.09 -3.01 114.58 117.79 1n8r h GLU 219 Ca 0.06 -0.72 -0.01 0.00 0.07 0.00 0.00 59.36 58.76 1n8r h GLU 219 Cb 0.57 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1n8r h GLU 219 CO 0.04 1.32 -0.03 1.49 0.07 0.00 0.00 179.01 181.90 1n8r h GLU 220 N 0.22 0.00 0.66 1.06 4.81 -1.44 -2.54 114.58 117.34 1n8r h GLU 220 Ca -0.17 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.03 1n8r h GLU 220 Cb 1.91 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.30 1n8r h GLU 220 CO 0.23 0.03 -0.32 0.00 -0.73 0.00 0.00 179.01 178.22 1n8r h ALA 221 N 1.97 -0.96 -0.69 2.92 0.00 -1.29 -2.06 119.26 119.15 1n8r h ALA 221 Ca -0.00 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.87 1n8r h ALA 221 Cb 0.92 0.34 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 1n8r h ALA 221 CO 0.00 -0.90 0.07 1.49 0.00 0.00 0.00 179.25 179.92 1n8r h GLU 222 N -1.13 0.16 0.00 0.00 4.81 -1.55 0.77 114.58 117.64 1n8r h GLU 222 Ca -0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1n8r h GLU 222 Cb 0.68 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1n8r h GLU 222 CO 0.15 0.11 0.00 -0.44 -0.73 0.00 0.00 179.01 178.10 1n8r h ASP 223 N 0.17 0.00 -0.42 1.04 3.32 -1.41 0.31 116.42 119.43 1n8r h ASP 223 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1n8r h ASP 223 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1n8r h ASP 223 CO -0.55 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 176.97 1n8r n ALA 224 N -2.02 2.43 -2.60 3.45 0.00 0.26 -4.93 120.51 117.10 1n8r n ALA 224 Ca -0.02 -0.94 -0.12 0.00 0.00 0.00 0.00 53.44 52.36 1n8r n ALA 224 Cb 0.13 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 18.66 1n8r n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8r n GLY 225 N 1.43 -0.01 3.28 0.00 0.00 0.10 -4.65 105.19 105.34 1n8r n GLY 225 Ca 0.19 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1n8r n GLY 225 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8r s ILE 226 N -2.84 2.68 0.45 -0.61 1.01 -0.99 -4.30 121.20 116.60 1n8r s ILE 226 Ca 0.14 -0.77 -0.21 0.00 0.00 0.00 0.00 60.65 59.81 1n8r s ILE 226 Cb -0.06 -2.12 -0.10 0.00 0.01 0.00 0.00 42.46 40.18 1n8r s ILE 226 CO 0.17 0.52 0.98 -0.60 0.00 0.00 0.00 174.94 176.01 1n8r s ARG 227 N 0.71 4.10 -0.34 2.79 3.52 -1.26 -3.65 118.95 124.82 1n8r s ARG 227 Ca -0.07 1.20 -0.03 0.00 -0.13 0.00 0.00 55.73 56.70 1n8r s ARG 227 Cb -0.16 -2.16 0.07 0.00 -1.56 0.00 0.00 34.95 31.14 1n8r s ARG 227 CO 0.01 -0.15 0.08 0.08 -0.81 0.00 0.00 175.30 174.51 1n8r s VAL 228 N -2.11 3.21 0.32 7.11 1.01 -1.26 -1.53 120.40 127.15 1n8r s VAL 228 Ca 0.63 -1.54 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1n8r s VAL 228 Cb -0.11 -2.95 0.31 0.00 0.00 0.00 0.00 36.38 33.63 1n8r s VAL 228 CO 0.15 -0.29 1.79 -0.07 0.00 0.00 0.00 175.10 176.68 1n8r h LEU 229 N 8.05 0.74 -6.55 3.92 3.38 -1.59 -3.15 115.31 120.10 1n8r h LEU 229 Ca -0.19 0.09 -0.66 0.00 0.09 0.00 0.00 57.88 57.20 1n8r h LEU 229 Cb 1.06 -0.05 -0.38 0.00 0.09 0.00 0.00 40.66 41.38 1n8r h LEU 229 CO 0.59 0.27 -0.21 -0.46 0.09 0.00 0.00 178.44 178.72 1n8r n ASN 230 N -4.71 4.38 -4.82 -0.43 6.94 -1.26 -5.08 115.26 110.28 1n8r n ASN 230 Ca 0.23 -3.39 -0.32 0.00 -0.02 0.00 0.00 54.58 51.08 1n8r n ASN 230 Cb 0.58 -0.86 0.02 0.00 -2.36 0.00 0.00 39.78 37.16 1n8r n ASN 230 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1n8r s PRO 231 N -2.36 3.31 0.30 -0.53 0.04 -1.19 -4.84 135.00 129.73 1n8r s PRO 231 Ca 0.35 1.05 -0.23 0.00 0.04 0.00 0.00 61.00 62.22 1n8r s PRO 231 Cb 0.09 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 1n8r s PRO 231 CO -0.01 -0.80 0.85 0.99 0.04 0.00 0.00 177.00 178.07 1n8r s THR 232 N -2.73 4.38 -0.32 1.26 2.01 -1.26 -4.85 115.64 114.13 1n8r s THR 232 Ca 0.60 1.55 -0.04 0.00 0.31 0.00 0.00 61.69 64.11 1n8r s THR 232 Cb -0.14 -3.89 0.04 0.00 0.01 0.00 0.00 72.50 68.52 1n8r s THR 232 CO 0.43 0.10 0.06 -0.31 -0.69 0.00 0.00 174.62 174.21 1n8r s TYR 233 N -1.66 3.26 0.26 4.92 1.51 -1.26 -1.71 117.35 122.67 1n8r s TYR 233 Ca 0.49 -1.62 0.05 0.00 -1.01 0.00 0.00 57.07 54.98 1n8r s TYR 233 Cb -0.16 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 1n8r s TYR 233 CO 0.21 -0.76 0.38 0.08 -1.11 0.00 0.00 175.55 174.35 1n8r s VAL 234 N 1.34 4.98 -0.36 0.71 1.01 -0.83 -4.81 120.40 122.44 1n8r s VAL 234 Ca -0.03 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 60.77 1n8r s VAL 234 Cb -0.20 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 1n8r s VAL 234 CO 0.01 -0.29 0.45 -1.61 0.00 0.00 0.00 175.10 173.65 1n8r s GLU 235 N -4.02 3.54 0.00 2.72 8.01 -1.26 -0.89 118.70 126.80 1n8r s GLU 235 Ca 0.36 -0.33 0.05 0.00 0.01 0.00 0.00 54.97 55.06 1n8r s GLU 235 Cb -0.09 -3.83 0.04 0.00 -4.31 0.00 0.00 34.13 25.94 1n8r s GLU 235 CO 0.29 -0.62 0.65 0.28 0.01 0.00 0.00 175.26 175.87