#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m s GLU 96 N 0.00 0.87 0.11 -2.82 -1.05 -1.05 -4.90 118.70 109.86 1k9m s GLU 96 Ca 0.00 -1.29 -0.30 0.00 -0.15 0.00 0.00 54.97 53.23 1k9m s GLU 96 Cb 0.00 -0.38 -0.06 0.00 -0.44 0.00 0.00 34.13 33.26 1k9m s GLU 96 CO 0.00 0.03 1.03 -0.51 0.95 0.00 0.00 175.26 176.76 1k9m s LEU 97 N -2.85 4.46 -0.02 1.83 1.43 -1.26 0.45 118.68 122.73 1k9m s LEU 97 Ca 0.10 1.89 0.01 0.00 -1.03 0.00 0.00 54.13 55.10 1k9m s LEU 97 Cb 0.02 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.67 1k9m s LEU 97 CO -0.02 -0.19 -0.01 -1.10 0.23 0.00 0.00 176.35 175.26 1k9m s GLN 98 N 0.15 0.29 0.14 1.70 -1.52 0.31 -4.91 119.66 115.82 1k9m s GLN 98 Ca 0.50 0.01 -0.24 0.00 -1.95 0.00 0.00 55.36 53.67 1k9m s GLN 98 Cb -0.26 -0.40 -0.08 0.00 -0.22 0.00 0.00 33.01 32.06 1k9m s GLN 98 CO 0.31 -0.06 0.75 0.00 -0.25 0.00 0.00 175.29 176.03 1k9m s ALA 99 N 0.64 3.47 0.77 6.09 0.00 -1.26 -0.60 121.76 130.86 1k9m s ALA 99 Ca -0.06 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 1k9m s ALA 99 Cb -0.09 -2.91 0.05 0.00 0.00 0.00 0.00 23.12 20.17 1k9m s ALA 99 CO -0.01 0.29 1.08 1.03 0.00 0.00 0.00 175.76 178.16 1k9m s ARG 100 N -1.07 2.29 0.77 0.00 0.52 -0.55 -4.89 118.95 116.02 1k9m s ARG 100 Ca 0.35 1.05 0.00 0.00 -0.52 0.00 0.00 55.73 56.61 1k9m s ARG 100 Cb -0.22 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.34 1k9m s ARG 100 CO 0.25 -1.58 0.00 0.41 0.02 0.00 0.00 175.30 174.40 1k9m n GLY 101 N -1.43 -1.91 2.41 -3.53 0.00 -1.26 -4.49 105.19 94.98 1k9m n GLY 101 Ca 0.08 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 1k9m n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k9m n LEU 102 N 0.00 8.33 -0.28 0.99 4.77 -1.26 -4.74 117.00 124.81 1k9m n LEU 102 Ca 0.00 -4.37 0.05 0.00 -0.03 0.00 0.00 56.01 51.66 1k9m n LEU 102 Cb 0.11 -1.56 0.27 0.00 -2.33 0.00 0.00 43.42 39.91 1k9m n LEU 102 CO 0.00 1.88 1.24 0.74 -1.33 0.00 0.00 177.39 179.92 1k9m h THR 103 N 3.17 1.03 0.00 -5.08 2.02 -1.90 -2.33 112.91 109.82 1k9m h THR 103 Ca 0.80 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.65 1k9m h THR 103 Cb 0.36 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1k9m h THR 103 CO 1.78 0.17 0.00 -0.62 0.37 0.00 0.00 175.52 177.23 1k9m n GLU 104 N -4.50 0.13 -1.68 6.66 -0.58 -1.26 -4.92 120.64 114.48 1k9m n GLU 104 Ca 0.14 0.11 -0.43 0.00 -0.42 0.00 0.00 57.16 56.55 1k9m n GLU 104 Cb 0.23 -1.65 -0.01 0.00 -0.57 0.00 0.00 31.44 29.44 1k9m n GLU 104 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1k9m n LYS 105 N -1.87 2.07 -4.68 3.49 4.81 -0.88 -5.01 118.16 116.09 1k9m n LYS 105 Ca 0.06 0.73 -0.27 0.00 -0.87 0.00 0.00 58.31 57.96 1k9m n LYS 105 Cb 0.38 -2.33 -0.14 0.00 0.02 0.00 0.00 35.03 32.96 1k9m n LYS 105 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1k9m s THR 106 N -0.69 1.86 0.66 3.15 2.01 -1.26 -5.04 115.64 116.33 1k9m s THR 106 Ca 0.60 -1.32 -0.10 0.00 0.31 0.00 0.00 61.69 61.18 1k9m s THR 106 Cb -0.60 -1.61 -0.00 0.00 0.01 0.00 0.00 72.50 70.30 1k9m s THR 106 CO 0.57 0.23 1.04 -2.16 -0.69 0.00 0.00 174.62 173.61 1k9m s PRO 107 N -1.31 3.06 -0.27 4.92 0.04 -1.26 -5.01 135.00 135.17 1k9m s PRO 107 Ca 0.09 0.44 -0.08 0.00 0.04 0.00 0.00 61.00 61.49 1k9m s PRO 107 Cb -0.09 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1k9m s PRO 107 CO 0.02 -0.84 0.09 0.16 0.04 0.00 0.00 177.00 176.47 1k9m s ASP 108 N -4.30 5.23 0.15 6.66 -4.77 -1.23 -5.02 116.67 113.40 1k9m s ASP 108 Ca 0.56 -0.33 0.11 0.00 -3.30 0.00 0.00 52.55 49.59 1k9m s ASP 108 Cb -0.11 -1.94 -0.04 0.00 -1.09 0.00 0.00 42.92 39.74 1k9m s ASP 108 CO 0.51 -0.09 -0.24 -0.76 0.70 0.00 0.00 175.17 175.29 1k9m s LEU 109 N 1.60 2.37 0.86 2.11 1.43 -1.26 -4.92 118.68 120.87 1k9m s LEU 109 Ca 0.06 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 1k9m s LEU 109 Cb -0.16 -1.12 0.12 0.00 0.03 0.00 0.00 46.19 45.06 1k9m s LEU 109 CO 0.04 0.12 1.15 -0.94 0.23 0.00 0.00 176.35 176.95 1k9m s SER 110 N -2.30 3.36 0.24 2.29 1.04 -1.26 -4.72 113.70 112.35 1k9m s SER 110 Ca 0.15 2.16 -0.05 0.00 0.48 0.00 0.00 55.95 58.70 1k9m s SER 110 Cb -0.09 -2.56 0.39 0.00 0.10 0.00 0.00 66.02 63.86 1k9m s SER 110 CO 0.07 -2.81 1.78 0.44 0.98 0.00 0.00 173.24 173.70 1k9m h ASP 111 N -1.51 0.53 -0.67 7.02 3.32 -2.00 -1.83 116.42 121.29 1k9m h ASP 111 Ca -0.44 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.66 1k9m h ASP 111 Cb 1.27 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 1k9m h ASP 111 CO 0.44 0.28 0.33 -0.08 -1.72 0.00 0.00 179.24 178.50 1k9m h GLU 112 N 0.65 0.95 -0.24 3.56 4.57 -1.99 -2.31 114.58 119.77 1k9m h GLU 112 Ca 0.39 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1k9m h GLU 112 Cb 0.43 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1k9m h GLU 112 CO -0.29 0.75 0.02 -0.44 -1.18 0.00 0.00 179.01 177.87 1k9m h ASP 113 N 0.92 0.40 0.24 1.04 5.19 -1.70 -0.74 116.42 121.77 1k9m h ASP 113 Ca 0.23 -0.29 -0.03 0.00 -0.62 0.00 0.00 57.03 56.32 1k9m h ASP 113 Cb 0.10 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.50 1k9m h ASP 113 CO -0.03 0.58 -0.14 0.00 -3.12 0.00 0.00 179.24 176.53 1k9m h ALA 114 N 0.83 1.51 -0.04 3.45 0.00 -1.31 0.21 119.26 123.90 1k9m h ALA 114 Ca 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1k9m h ALA 114 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1k9m h ALA 114 CO 0.01 0.18 -0.12 -0.09 0.00 0.00 0.00 179.25 179.22 1k9m h ARG 115 N 0.00 0.15 -0.14 0.00 2.43 -1.13 -1.48 114.38 114.20 1k9m h ARG 115 Ca -0.00 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1k9m h ARG 115 Cb 0.30 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1k9m h ARG 115 CO 0.02 0.74 -0.11 -0.07 -1.51 0.00 0.00 179.97 179.04 1k9m h LEU 116 N -0.41 0.21 -0.18 3.80 3.38 -0.42 0.18 115.31 121.86 1k9m h LEU 116 Ca -0.01 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1k9m h LEU 116 Cb 0.76 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1k9m h LEU 116 CO 0.03 0.35 -0.24 0.25 0.09 0.00 0.00 178.44 178.91 1k9m h LEU 117 N 0.21 0.53 -1.43 1.67 5.85 -0.59 -1.39 115.31 120.16 1k9m h LEU 117 Ca 0.04 -0.51 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 1k9m h LEU 117 Cb 0.34 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1k9m h LEU 117 CO 0.02 0.93 -0.07 0.74 -0.34 0.00 0.00 178.44 179.72 1k9m h THR 118 N 0.14 1.16 0.28 1.05 2.02 -0.62 -1.66 112.91 115.28 1k9m h THR 118 Ca 0.02 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1k9m h THR 118 Cb 0.81 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1k9m h THR 118 CO 0.06 0.22 -0.13 -0.61 0.37 0.00 0.00 175.52 175.42 1k9m h GLN 119 N 0.28 -0.36 -0.69 6.66 4.15 -0.34 -2.04 115.11 122.77 1k9m h GLN 119 Ca 0.06 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.63 1k9m h GLN 119 Cb 0.31 0.08 -0.09 0.00 0.21 0.00 0.00 27.48 27.99 1k9m h GLN 119 CO 0.01 -0.10 0.24 -0.09 -1.93 0.00 0.00 178.83 176.97 1k9m h ARG 120 N -0.58 0.38 -0.01 1.69 2.43 -0.93 0.46 114.38 117.83 1k9m h ARG 120 Ca -0.04 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 1k9m h ARG 120 Cb 0.42 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1k9m h ARG 120 CO 0.06 0.25 -0.26 1.25 -1.51 0.00 0.00 179.97 179.76 1k9m h HIS 121 N 0.40 0.01 0.01 2.20 2.76 -1.17 -1.97 115.15 117.39 1k9m h HIS 121 Ca 0.37 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.44 1k9m h HIS 121 Cb 0.53 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 1k9m h HIS 121 CO -0.19 0.27 -0.49 -0.09 -1.30 0.00 0.00 177.93 176.14 1k9m h ARG 122 N 0.01 0.01 -0.43 5.26 2.43 -0.46 -3.38 114.38 117.83 1k9m h ARG 122 Ca -0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1k9m h ARG 122 Cb 0.47 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1k9m h ARG 122 CO 0.03 1.01 0.06 0.28 -1.51 0.00 0.00 179.97 179.85 1k9m h VAL 123 N -0.97 1.25 -0.79 0.20 2.07 -0.97 -3.49 116.25 113.55 1k9m h VAL 123 Ca -0.13 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1k9m h VAL 123 Cb 1.14 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1k9m h VAL 123 CO -0.07 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.44 1k9m n GLY 124 N -0.49 0.51 3.70 2.17 0.00 -0.74 -4.97 105.19 105.35 1k9m n GLY 124 Ca -0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 1k9m n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k9m s LYS 125 N 0.00 1.48 0.82 1.61 -2.85 -1.26 -5.04 119.74 114.50 1k9m s LYS 125 Ca 0.00 -0.74 -0.11 0.00 -1.00 0.00 0.00 55.97 54.11 1k9m s LYS 125 Cb 0.00 0.55 0.08 0.00 -2.06 0.00 0.00 37.83 36.41 1k9m s LYS 125 CO 0.00 -0.67 1.09 -1.25 0.10 0.00 0.00 175.35 174.62 1k9m s PRO 126 N -3.71 1.91 0.47 1.78 0.04 -1.26 -4.94 135.00 129.29 1k9m s PRO 126 Ca 0.08 0.73 0.17 0.00 0.04 0.00 0.00 61.00 62.02 1k9m s PRO 126 Cb -0.04 -1.89 1.11 0.00 0.04 0.00 0.00 34.50 33.72 1k9m s PRO 126 CO -0.00 -1.76 2.02 1.96 0.04 0.00 0.00 177.00 179.26 1k9m h GLN 127 N -1.20 0.00 -6.32 4.56 4.20 -2.02 -3.46 115.11 110.87 1k9m h GLN 127 Ca -0.47 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 57.77 1k9m h GLN 127 Cb 1.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 1k9m h GLN 127 CO 0.57 0.15 -0.83 1.19 -0.67 0.00 0.00 178.83 179.25 1k9m n PHE 128 N -4.25 -1.92 -3.42 2.96 0.99 -1.26 -4.96 117.46 105.60 1k9m n PHE 128 Ca -0.02 0.83 -0.30 0.00 -0.00 0.00 0.00 57.45 57.95 1k9m n PHE 128 Cb 0.22 -3.97 -0.04 0.00 -1.00 0.00 0.00 39.48 34.69 1k9m n PHE 128 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 1k9m s ASN 129 N -4.00 6.50 0.35 4.37 0.01 -1.26 -4.40 114.94 116.50 1k9m s ASN 129 Ca 0.24 0.74 -0.28 0.00 -0.71 0.00 0.00 52.86 52.85 1k9m s ASN 129 Cb -0.12 -2.15 -0.12 0.00 0.41 0.00 0.00 41.25 39.27 1k9m s ASN 129 CO 0.85 -0.12 1.35 -1.14 -1.51 0.00 0.00 177.10 176.53 1k9m n ARG 130 N -0.56 2.28 -1.67 -0.60 0.63 0.44 -4.88 116.66 112.31 1k9m n ARG 130 Ca -0.01 0.80 -0.46 0.00 -0.92 0.00 0.00 57.85 57.26 1k9m n ARG 130 Cb 0.53 -2.42 -0.04 0.00 0.45 0.00 0.00 32.46 30.98 1k9m n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1k9m n GLN 131 N 0.55 2.04 -1.24 -0.14 10.64 -1.26 -1.73 117.38 126.23 1k9m n GLN 131 Ca 0.04 0.73 -0.08 0.00 -1.83 0.00 0.00 57.00 55.86 1k9m n GLN 131 Cb 0.37 -2.44 -0.04 0.00 -0.86 0.00 0.00 30.24 27.27 1k9m n GLN 131 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1k9m n ASP 132 N 2.76 -5.13 0.20 2.61 8.00 -1.26 -4.86 116.55 118.86 1k9m n ASP 132 Ca 0.14 0.20 0.17 0.00 0.71 0.00 0.00 54.79 56.01 1k9m n ASP 132 Cb 0.30 -3.35 0.81 0.00 -0.02 0.00 0.00 41.12 38.85 1k9m n ASP 132 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 1k9m h HIS 133 N 0.00 0.00 0.00 1.24 2.07 -1.63 0.75 115.15 117.58 1k9m h HIS 133 Ca -0.17 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.35 1k9m h HIS 133 Cb 0.92 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.90 1k9m h HIS 133 CO 0.47 0.00 -0.09 -2.39 -3.07 0.00 0.00 177.93 172.85 1k9m n HIS 134 N -3.91 0.22 0.50 6.12 1.44 -1.26 -3.70 115.22 114.62 1k9m n HIS 134 Ca 0.02 0.06 0.12 0.00 -2.01 0.00 0.00 57.72 55.91 1k9m n HIS 134 Cb 0.32 -0.57 0.07 0.00 0.12 0.00 0.00 29.99 29.93 1k9m n HIS 134 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1k9m n LYS 135 N -1.69 0.34 -3.65 -1.40 5.02 0.25 -4.87 118.16 112.16 1k9m n LYS 135 Ca 0.06 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.26 1k9m n LYS 135 Cb 0.36 -1.65 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 1k9m n LYS 135 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1k9m s LYS 136 N -3.21 0.17 0.39 1.97 2.47 -1.23 -5.04 119.74 115.26 1k9m s LYS 136 Ca 0.04 0.77 0.11 0.00 -1.56 0.00 0.00 55.97 55.33 1k9m s LYS 136 Cb 0.13 -0.03 0.91 0.00 -1.46 0.00 0.00 37.83 37.39 1k9m s LYS 136 CO 0.77 -0.30 1.91 0.87 0.16 0.00 0.00 175.35 178.77 1k9m h LYS 137 N 8.27 0.56 0.00 4.03 1.57 -1.89 -0.77 116.57 128.34 1k9m h LYS 137 Ca -0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1k9m h LYS 137 Cb 1.11 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1k9m h LYS 137 CO 0.14 0.37 0.00 2.89 -0.57 0.00 0.00 179.45 182.28 1k9m n ARG 138 N -4.51 0.07 -4.05 3.15 1.85 -1.26 -4.49 116.66 107.42 1k9m n ARG 138 Ca 0.15 0.21 -0.34 0.00 -1.00 0.00 0.00 57.85 56.86 1k9m n ARG 138 Cb 0.45 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.25 1k9m n ARG 138 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1k9m s VAL 139 N -2.86 4.62 0.49 8.89 1.01 -0.30 -5.10 120.40 127.17 1k9m s VAL 139 Ca 0.10 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.06 1k9m s VAL 139 Cb 0.10 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.44 1k9m s VAL 139 CO 0.26 0.46 0.68 -0.94 0.00 0.00 0.00 175.10 175.55 1k9m s SER 140 N 0.45 5.39 0.30 3.32 1.04 -1.26 -4.79 113.70 118.15 1k9m s SER 140 Ca 0.02 -0.52 0.05 0.00 0.48 0.00 0.00 55.95 55.99 1k9m s SER 140 Cb -0.13 -0.35 0.46 0.00 0.10 0.00 0.00 66.02 66.11 1k9m s SER 140 CO 0.01 -1.03 1.72 0.00 0.98 0.00 0.00 173.24 174.92 1k9m h THR 141 N 0.39 1.29 -1.06 2.02 1.03 -1.92 -3.41 112.91 111.24 1k9m h THR 141 Ca -0.37 -1.40 -0.81 0.00 -0.01 0.00 0.00 66.41 63.82 1k9m h THR 141 Cb 1.28 1.56 0.03 0.00 -1.07 0.00 0.00 68.15 69.96 1k9m h THR 141 CO 0.44 0.42 0.34 -0.24 -0.01 0.00 0.00 175.52 176.48 1k9m n SER 142 N -4.07 0.62 -4.72 0.00 2.88 -1.26 -0.42 113.62 106.65 1k9m n SER 142 Ca -0.01 1.16 -0.42 0.00 -1.33 0.00 0.00 58.87 58.27 1k9m n SER 142 Cb 0.44 -0.93 -0.03 0.00 -0.75 0.00 0.00 64.21 62.95 1k9m n SER 142 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1k9m s TRP 143 N 1.25 3.08 -0.02 0.66 -0.11 -1.26 -4.13 118.94 118.41 1k9m s TRP 143 Ca 0.96 0.74 0.01 0.00 1.22 0.00 0.00 56.10 59.02 1k9m s TRP 143 Cb -1.33 -3.88 0.02 0.00 -1.50 0.00 0.00 33.47 26.78 1k9m s TRP 143 CO 0.66 -3.16 -0.02 1.03 -4.62 0.00 0.00 176.95 170.84 1k9m s ARG 144 N 0.88 0.36 0.08 5.86 1.81 -1.26 -4.96 118.95 121.72 1k9m s ARG 144 Ca 0.67 -0.02 -0.31 0.00 -1.72 0.00 0.00 55.73 54.35 1k9m s ARG 144 Cb -0.43 -0.45 -0.09 0.00 -0.45 0.00 0.00 34.95 33.53 1k9m s ARG 144 CO 0.33 -0.05 1.81 0.21 -0.68 0.00 0.00 175.30 176.92 1k9m s LYS 145 N 0.59 4.15 0.03 3.54 2.20 -1.26 -4.69 119.74 124.30 1k9m s LYS 145 Ca -0.06 2.52 -0.30 0.00 -0.36 0.00 0.00 55.97 57.77 1k9m s LYS 145 Cb -0.09 -3.73 -0.08 0.00 -1.51 0.00 0.00 37.83 32.42 1k9m s LYS 145 CO -0.01 -0.84 1.72 -1.25 -0.36 0.00 0.00 175.35 174.60 1k9m s PRO 146 N 3.13 4.18 -0.00 4.03 0.04 -1.26 -4.86 135.00 140.26 1k9m s PRO 146 Ca 0.80 2.34 0.12 0.00 0.04 0.00 0.00 61.00 64.31 1k9m s PRO 146 Cb -0.43 -3.82 -0.14 0.00 0.04 0.00 0.00 34.50 30.15 1k9m s PRO 146 CO 0.36 -0.81 0.53 0.54 0.04 0.00 0.00 177.00 177.66 1k9m n ARG 147 N 6.44 2.85 -1.69 4.56 1.74 -1.26 -4.72 116.66 124.58 1k9m n ARG 147 Ca 0.17 -0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.82 1k9m n ARG 147 Cb 0.41 -1.09 -0.01 0.00 -1.02 0.00 0.00 32.46 30.75 1k9m n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9m n GLY 148 N 1.30 0.67 0.29 -0.13 0.00 -1.26 -4.84 105.19 101.23 1k9m n GLY 148 Ca 0.02 0.39 0.18 0.00 0.00 0.00 0.00 46.02 46.62 1k9m n GLY 148 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1k9m h GLN 149 N 3.28 0.00 -0.04 1.61 1.08 -2.03 -2.03 115.11 116.98 1k9m h GLN 149 Ca -0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1k9m h GLN 149 Cb 1.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 1k9m h GLN 149 CO 0.68 0.02 0.00 1.28 -0.95 0.00 0.00 178.83 179.87 1k9m n LEU 150 N -3.15 1.92 -4.57 1.46 4.77 -1.26 -5.00 117.00 111.16 1k9m n LEU 150 Ca -0.01 -1.10 -0.54 0.00 -0.03 0.00 0.00 56.01 54.34 1k9m n LEU 150 Cb 0.24 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 1k9m n LEU 150 CO 0.26 0.39 0.84 -0.24 -1.33 0.00 0.00 177.39 177.31 1k9m n SER 151 N 0.54 1.27 0.12 -1.43 2.88 -0.76 -4.85 113.62 111.39 1k9m n SER 151 Ca 0.06 1.13 -0.02 0.00 -1.33 0.00 0.00 58.87 58.71 1k9m n SER 151 Cb 0.26 -1.12 0.16 0.00 -0.75 0.00 0.00 64.21 62.76 1k9m n SER 151 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1k9m h LYS 152 N 4.28 0.06 -0.02 -1.46 1.79 -1.95 -2.07 116.57 117.21 1k9m h LYS 152 Ca -0.48 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 57.91 1k9m h LYS 152 Cb 1.36 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1k9m h LYS 152 CO 0.76 0.66 -0.13 0.37 -1.08 0.00 0.00 179.45 180.02 1k9m h GLN 153 N 0.04 0.12 -0.48 3.15 4.15 -1.88 -1.86 115.11 118.35 1k9m h GLN 153 Ca -0.01 -0.10 0.14 0.00 0.77 0.00 0.00 58.65 59.45 1k9m h GLN 153 Cb 1.11 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 1k9m h GLN 153 CO 0.08 0.80 0.34 -0.09 -1.93 0.00 0.00 178.83 178.04 1k9m h ARG 154 N -0.53 0.00 0.00 1.69 2.43 -1.83 0.60 114.38 116.75 1k9m h ARG 154 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1k9m h ARG 154 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1k9m h ARG 154 CO 0.03 0.00 -0.23 0.54 -1.51 0.00 0.00 179.97 178.79 1k9m n ARG 155 N -4.38 0.17 -2.33 0.20 1.74 -0.78 -4.94 116.66 106.32 1k9m n ARG 155 Ca 0.08 0.10 -0.02 0.00 -0.77 0.00 0.00 57.85 57.24 1k9m n ARG 155 Cb 0.56 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 1k9m n ARG 155 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9m n GLY 156 N 1.39 0.60 3.71 -0.13 0.00 0.21 -5.01 105.19 105.97 1k9m n GLY 156 Ca 0.05 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1k9m n GLY 156 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k9m s ILE 157 N -2.60 3.99 0.15 -0.61 1.01 -0.73 -4.93 121.20 117.48 1k9m s ILE 157 Ca 0.02 1.43 -0.32 0.00 0.00 0.00 0.00 60.65 61.78 1k9m s ILE 157 Cb -0.01 -3.91 -0.11 0.00 0.01 0.00 0.00 42.46 38.43 1k9m s ILE 157 CO 0.03 0.11 1.78 1.17 0.00 0.00 0.00 174.94 178.03 1k9m n LYS 158 N 3.91 2.74 0.00 2.79 4.81 -1.26 -1.87 118.16 129.28 1k9m n LYS 158 Ca 0.09 0.99 0.00 0.00 -0.87 0.00 0.00 58.31 58.52 1k9m n LYS 158 Cb 0.46 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.65 1k9m n LYS 158 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k9m n GLY 159 N 4.09 2.34 1.25 3.14 0.00 -1.26 -4.95 105.19 109.80 1k9m n GLY 159 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1k9m n GLY 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k9m n LYS 160 N -0.69 3.03 0.00 1.61 4.76 -0.78 -5.04 118.16 121.04 1k9m n LYS 160 Ca 0.00 -2.10 0.00 0.00 -2.87 0.00 0.00 58.31 53.34 1k9m n LYS 160 Cb 0.00 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.45 1k9m n LYS 160 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1k9m n GLY 161 N 0.90 -0.47 3.79 0.72 0.00 -1.26 -4.65 105.19 104.22 1k9m n GLY 161 Ca 0.19 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 1k9m n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k9m s ASP 162 N -1.89 7.30 -0.06 1.61 1.01 -1.26 -4.93 116.67 118.45 1k9m s ASP 162 Ca 0.00 1.60 -0.15 0.00 0.71 0.00 0.00 52.55 54.71 1k9m s ASP 162 Cb 0.00 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 1k9m s ASP 162 CO 0.00 0.14 0.39 -0.89 0.21 0.00 0.00 175.17 175.02 1k9m s THR 163 N -1.28 5.14 -0.03 -1.27 2.01 -1.26 -4.82 115.64 114.13 1k9m s THR 163 Ca 0.39 0.78 -0.34 0.00 0.31 0.00 0.00 61.69 62.83 1k9m s THR 163 Cb -0.21 -3.71 -0.12 0.00 0.01 0.00 0.00 72.50 68.47 1k9m s THR 163 CO 0.25 0.49 1.82 0.52 -0.69 0.00 0.00 174.62 177.01 1k9m n VAL 164 N 2.58 0.47 -3.98 3.82 0.31 -1.26 -4.97 118.33 115.30 1k9m n VAL 164 Ca -0.12 -0.08 -0.09 0.00 -0.01 0.00 0.00 64.34 64.04 1k9m n VAL 164 Cb 0.52 -1.82 -0.10 0.00 -0.91 0.00 0.00 33.84 31.53 1k9m n VAL 164 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1k9m s GLU 165 N 3.44 0.52 0.45 5.55 2.02 -1.26 -5.04 118.70 124.39 1k9m s GLU 165 Ca 0.90 -0.82 0.11 0.00 0.02 0.00 0.00 54.97 55.18 1k9m s GLU 165 Cb -0.68 0.19 1.02 0.00 0.10 0.00 0.00 34.13 34.76 1k9m s GLU 165 CO 0.49 -0.11 2.08 0.00 0.02 0.00 0.00 175.26 177.73 1k9m h ALA 166 N 3.81 1.80 0.00 5.21 0.00 -2.01 -2.22 119.26 125.84 1k9m h ALA 166 Ca -0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1k9m h ALA 166 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1k9m h ALA 166 CO 0.51 0.17 0.21 0.41 0.00 0.00 0.00 179.25 180.56 1k9m n GLY 167 N -1.42 -0.63 0.21 0.00 0.00 -1.26 -0.74 105.19 101.34 1k9m n GLY 167 Ca 0.00 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1k9m n GLY 167 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1k9m n PHE 168 N -1.99 0.00 -1.63 1.61 3.01 -0.84 -4.96 117.46 112.66 1k9m n PHE 168 Ca -0.01 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.07 1k9m n PHE 168 Cb 0.23 -0.14 0.05 0.00 -0.01 0.00 0.00 39.48 39.61 1k9m n PHE 168 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1k9m n ARG 169 N -0.77 1.01 -2.82 -1.08 5.12 0.08 -5.00 116.66 113.20 1k9m n ARG 169 Ca 0.12 0.39 -0.30 0.00 -1.93 0.00 0.00 57.85 56.12 1k9m n ARG 169 Cb 0.34 -2.22 -0.03 0.00 -1.16 0.00 0.00 32.46 29.39 1k9m n ARG 169 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1k9m s SER 170 N -1.20 6.52 0.02 0.55 1.04 -1.26 -4.99 113.70 114.38 1k9m s SER 170 Ca 0.75 1.15 -0.39 0.00 0.48 0.00 0.00 55.95 57.95 1k9m s SER 170 Cb -0.42 -2.33 -0.18 0.00 0.10 0.00 0.00 66.02 63.18 1k9m s SER 170 CO 0.47 -0.42 1.22 -2.65 0.98 0.00 0.00 173.24 172.84 1k9m n PRO 171 N -1.35 0.53 -0.14 4.02 -0.02 -1.26 -4.70 135.00 132.09 1k9m n PRO 171 Ca 0.03 0.19 -0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1k9m n PRO 171 Cb 0.54 -1.76 -0.06 0.00 -0.02 0.00 0.00 33.50 32.20 1k9m n PRO 171 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1k9m h THR 172 N 3.25 0.08 -0.38 3.45 2.02 -1.97 -1.04 112.91 118.31 1k9m h THR 172 Ca -0.49 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.80 1k9m h THR 172 Cb 1.38 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1k9m h THR 172 CO 0.72 0.00 0.58 0.00 0.37 0.00 0.00 175.52 177.19 1k9m h ALA 173 N 0.32 2.05 0.00 6.16 0.00 -2.00 -3.03 119.26 122.76 1k9m h ALA 173 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1k9m h ALA 173 Cb 0.59 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1k9m h ALA 173 CO -0.60 -0.77 -1.09 0.28 0.00 0.00 0.00 179.25 177.07 1k9m n VAL 174 N -3.34 0.02 -1.33 0.00 0.31 -0.76 -5.02 118.33 108.21 1k9m n VAL 174 Ca 0.07 -0.05 -0.52 0.00 -0.01 0.00 0.00 64.34 63.83 1k9m n VAL 174 Cb 0.73 0.18 -0.08 0.00 -0.91 0.00 0.00 33.84 33.76 1k9m n VAL 174 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1k9m n ARG 175 N -1.66 0.00 -0.13 5.55 0.63 -0.47 -0.76 116.66 119.82 1k9m n ARG 175 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1k9m n ARG 175 Cb 0.15 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 31.90 1k9m n ARG 175 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k9m n GLY 176 N 2.84 1.08 3.77 5.14 0.00 -1.26 -5.05 105.19 111.72 1k9m n GLY 176 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 1k9m n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k9m s LYS 177 N -0.58 4.53 0.80 1.61 1.02 0.06 -4.67 119.74 122.50 1k9m s LYS 177 Ca 0.00 1.63 -0.13 0.00 0.02 0.00 0.00 55.97 57.49 1k9m s LYS 177 Cb 0.00 -2.98 0.08 0.00 -0.52 0.00 0.00 37.83 34.41 1k9m s LYS 177 CO 0.00 0.16 1.21 -1.58 -0.92 0.00 0.00 175.35 174.22 1k9m s HIS 178 N -1.35 1.82 0.64 3.18 5.65 -0.59 -4.82 115.29 119.83 1k9m s HIS 178 Ca 0.48 1.67 0.33 0.00 0.25 0.00 0.00 55.06 57.79 1k9m s HIS 178 Cb -0.27 -3.49 1.83 0.00 -1.18 0.00 0.00 32.58 29.47 1k9m s HIS 178 CO 0.34 -2.84 2.08 -1.00 -0.65 0.00 0.00 174.74 172.68 1k9m h PRO 179 N -0.85 0.00 0.00 2.88 0.13 -1.94 -1.17 132.00 131.04 1k9m h PRO 179 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1k9m h PRO 179 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1k9m h PRO 179 CO 0.46 0.00 -0.32 0.66 -0.23 0.00 0.00 178.00 178.58 1k9m h SER 180 N 0.00 0.00 0.00 1.44 4.64 -2.01 -3.46 113.55 114.15 1k9m h SER 180 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1k9m h SER 180 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1k9m h SER 180 CO -0.00 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 1k9m n GLY 181 N 0.20 1.99 3.75 -0.77 0.00 -0.44 -4.65 105.19 105.28 1k9m n GLY 181 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1k9m n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k9m s PHE 182 N -1.87 2.40 -0.24 1.61 0.40 -1.26 -4.71 117.98 114.31 1k9m s PHE 182 Ca 0.00 1.55 -0.12 0.00 -0.60 0.00 0.00 56.93 57.76 1k9m s PHE 182 Cb 0.00 -3.37 -0.05 0.00 0.51 0.00 0.00 43.02 40.11 1k9m s PHE 182 CO 0.00 -2.09 0.21 -1.21 0.70 0.00 0.00 175.22 172.83 1k9m s GLU 183 N -3.65 4.08 0.58 0.44 0.41 -1.04 -1.54 118.70 117.98 1k9m s GLU 183 Ca 0.73 -0.18 -0.17 0.00 -0.41 0.00 0.00 54.97 54.95 1k9m s GLU 183 Cb -0.27 -3.55 -0.04 0.00 -1.78 0.00 0.00 34.13 28.49 1k9m s GLU 183 CO 0.37 0.02 1.06 -1.21 -0.49 0.00 0.00 175.26 175.01 1k9m s GLU 184 N 1.17 3.36 -0.13 1.61 2.02 -1.26 -2.56 118.70 122.91 1k9m s GLU 184 Ca 0.10 1.26 -0.04 0.00 0.02 0.00 0.00 54.97 56.31 1k9m s GLU 184 Cb -0.14 -2.04 0.06 0.00 0.10 0.00 0.00 34.13 32.11 1k9m s GLU 184 CO 0.06 -0.78 0.12 0.08 0.02 0.00 0.00 175.26 174.75 1k9m s VAL 185 N -2.34 -0.17 0.05 2.63 1.01 -0.94 -4.92 120.40 115.72 1k9m s VAL 185 Ca 0.65 0.08 -0.31 0.00 0.00 0.00 0.00 61.98 62.40 1k9m s VAL 185 Cb -0.17 -0.44 -0.07 0.00 0.00 0.00 0.00 36.38 35.70 1k9m s VAL 185 CO 0.34 -0.08 1.40 -0.60 0.00 0.00 0.00 175.10 176.16 1k9m s ARG 186 N 2.21 4.30 -0.07 2.72 6.06 -1.26 -1.29 118.95 131.62 1k9m s ARG 186 Ca 0.04 2.02 0.04 0.00 -2.50 0.00 0.00 55.73 55.32 1k9m s ARG 186 Cb -0.14 -3.43 0.00 0.00 0.06 0.00 0.00 34.95 31.44 1k9m s ARG 186 CO -0.08 -0.51 -0.18 0.54 -2.50 0.00 0.00 175.30 172.58 1k9m s VAL 187 N 1.81 1.55 -0.22 7.11 0.11 0.06 -4.91 120.40 125.91 1k9m s VAL 187 Ca 0.64 -0.74 0.11 0.00 -2.93 0.00 0.00 61.98 59.06 1k9m s VAL 187 Cb -0.34 -1.36 -0.14 0.00 -1.53 0.00 0.00 36.38 33.01 1k9m s VAL 187 CO 0.28 0.45 0.32 1.41 -3.33 0.00 0.00 175.10 174.23 1k9m n HIS 188 N 3.50 0.00 -3.10 1.54 8.25 -1.26 -1.62 115.22 122.54 1k9m n HIS 188 Ca -0.20 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.25 1k9m n HIS 188 Cb 0.52 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.50 1k9m n HIS 188 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1k9m n ASN 189 N -1.60 -0.26 -0.04 0.41 2.04 -1.26 -4.92 115.26 109.63 1k9m n ASN 189 Ca -0.00 -1.18 -0.12 0.00 -0.44 0.00 0.00 54.58 52.84 1k9m n ASN 189 Cb 0.23 0.43 0.01 0.00 -2.53 0.00 0.00 39.78 37.92 1k9m n ASN 189 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 1k9m h VAL 190 N 1.11 1.30 0.00 3.53 2.07 -1.96 -3.18 116.25 119.12 1k9m h VAL 190 Ca -0.04 -1.75 -0.03 0.00 0.82 0.00 0.00 66.70 65.71 1k9m h VAL 190 Cb 0.14 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1k9m h VAL 190 CO 0.05 0.56 -0.14 0.44 0.02 0.00 0.00 177.57 178.49 1k9m h ASP 191 N 0.56 0.00 0.52 0.57 3.32 -1.99 -1.69 116.42 117.70 1k9m h ASP 191 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1k9m h ASP 191 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1k9m h ASP 191 CO 0.11 0.14 0.00 0.44 -1.72 0.00 0.00 179.24 178.21 1k9m h ASP 192 N 0.00 0.00 0.57 6.45 3.32 -1.96 -1.82 116.42 122.98 1k9m h ASP 192 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1k9m h ASP 192 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1k9m h ASP 192 CO 0.02 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 1k9m n LEU 193 N -3.00 0.00 -4.68 1.55 4.77 -0.64 -4.74 117.00 110.27 1k9m n LEU 193 Ca -0.01 0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 55.92 1k9m n LEU 193 Cb 0.19 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1k9m n LEU 193 CO 0.23 -0.09 0.74 -0.70 -1.33 0.00 0.00 177.39 176.24 1k9m s GLU 194 N -2.75 4.37 0.00 3.23 2.12 -0.69 -3.16 118.70 121.83 1k9m s GLU 194 Ca 0.17 1.26 0.00 0.00 0.36 0.00 0.00 54.97 56.76 1k9m s GLU 194 Cb 0.15 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.98 1k9m s GLU 194 CO 0.37 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 1k9m n GLY 195 N 3.23 0.43 3.66 -1.50 0.00 -1.26 -5.06 105.19 104.68 1k9m n GLY 195 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1k9m n GLY 195 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k9m s VAL 196 N -2.13 4.81 -0.61 1.61 1.01 -1.19 -5.01 120.40 118.90 1k9m s VAL 196 Ca 0.00 1.72 -0.28 0.00 0.00 0.00 0.00 61.98 63.43 1k9m s VAL 196 Cb 0.00 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.23 1k9m s VAL 196 CO 0.00 -0.06 1.20 -0.62 0.00 0.00 0.00 175.10 175.62 1k9m s ASP 197 N 1.23 6.39 0.22 3.32 -1.08 -1.26 -4.89 116.67 120.59 1k9m s ASP 197 Ca 0.39 -0.02 0.16 0.00 -0.52 0.00 0.00 52.55 52.56 1k9m s ASP 197 Cb -0.16 -2.55 0.83 0.00 -1.46 0.00 0.00 42.92 39.58 1k9m s ASP 197 CO 0.10 -1.54 1.50 0.61 0.52 0.00 0.00 175.17 176.35 1k9m n GLY 198 N 5.12 -0.84 0.13 2.66 0.00 -1.26 0.13 105.19 111.13 1k9m n GLY 198 Ca 0.07 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 1k9m n GLY 198 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k9m h ASP 199 N 0.00 0.48 0.00 1.61 3.32 -1.90 -3.39 116.42 116.54 1k9m h ASP 199 Ca 0.00 -0.71 -0.37 0.00 0.02 0.00 0.00 57.03 55.96 1k9m h ASP 199 Cb 0.06 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.39 1k9m h ASP 199 CO 0.00 1.60 -2.39 0.41 -1.72 0.00 0.00 179.24 177.14 1k9m n THR 200 N -3.50 1.40 -4.38 0.35 -1.04 -0.81 -3.48 114.28 102.82 1k9m n THR 200 Ca -0.21 -0.85 -0.27 0.00 -2.04 0.00 0.00 64.05 60.68 1k9m n THR 200 Cb 1.06 -0.51 -0.13 0.00 -1.82 0.00 0.00 70.33 68.93 1k9m n THR 200 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1k9m s GLU 201 N -2.49 1.32 0.33 -2.82 2.02 0.34 -2.51 118.70 114.89 1k9m s GLU 201 Ca -0.11 -1.27 0.10 0.00 0.02 0.00 0.00 54.97 53.70 1k9m s GLU 201 Cb 0.06 -1.72 -0.06 0.00 0.10 0.00 0.00 34.13 32.52 1k9m s GLU 201 CO 0.82 0.41 -0.05 0.00 0.02 0.00 0.00 175.26 176.45 1k9m s ALA 202 N -1.08 3.06 0.09 5.21 0.00 -1.06 -4.23 121.76 123.75 1k9m s ALA 202 Ca 0.11 -1.96 0.10 0.00 0.00 0.00 0.00 51.96 50.21 1k9m s ALA 202 Cb -0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1k9m s ALA 202 CO 0.05 0.12 -0.26 0.54 0.00 0.00 0.00 175.76 176.21 1k9m s VAL 203 N -2.53 2.28 -0.17 0.00 0.11 -0.58 -2.22 120.40 117.30 1k9m s VAL 203 Ca 0.33 -1.56 0.01 0.00 -2.93 0.00 0.00 61.98 57.83 1k9m s VAL 203 Cb -0.01 -1.96 0.03 0.00 -1.53 0.00 0.00 36.38 32.91 1k9m s VAL 203 CO 0.18 0.22 -0.14 -0.60 -3.33 0.00 0.00 175.10 171.43 1k9m s ARG 204 N -1.70 2.31 -0.23 1.54 3.52 -0.41 -1.20 118.95 122.77 1k9m s ARG 204 Ca 0.13 -0.71 -0.28 0.00 -0.13 0.00 0.00 55.73 54.74 1k9m s ARG 204 Cb -0.10 -2.29 0.01 0.00 -1.56 0.00 0.00 34.95 31.01 1k9m s ARG 204 CO 0.05 -0.30 1.02 0.42 -0.81 0.00 0.00 175.30 175.67 1k9m s ILE 205 N 1.42 4.70 0.20 4.11 1.01 -1.26 -0.76 121.20 130.62 1k9m s ILE 205 Ca 0.03 1.98 -0.31 0.00 0.00 0.00 0.00 60.65 62.35 1k9m s ILE 205 Cb -0.14 -4.29 -0.16 0.00 0.01 0.00 0.00 42.46 37.88 1k9m s ILE 205 CO -0.10 -0.17 0.97 0.00 0.00 0.00 0.00 174.94 175.65 1k9m n ALA 206 N 6.28 -1.28 0.15 9.38 0.00 -0.64 -4.84 120.51 129.57 1k9m n ALA 206 Ca 0.11 0.45 0.15 0.00 0.00 0.00 0.00 53.44 54.15 1k9m n ALA 206 Cb 0.46 -1.92 0.70 0.00 0.00 0.00 0.00 19.45 18.70 1k9m n ALA 206 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1k9m h SER 207 N 2.44 0.00 -0.26 0.00 4.64 -1.94 -2.58 113.55 115.85 1k9m h SER 207 Ca -0.39 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.87 1k9m h SER 207 Cb 1.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.44 1k9m h SER 207 CO 0.64 0.00 0.01 0.11 -0.87 0.00 0.00 176.83 176.72 1k9m h LYS 208 N 0.00 0.56 -6.44 4.77 1.57 -1.99 -3.44 116.57 111.60 1k9m h LYS 208 Ca 0.11 -0.12 -0.60 0.00 -1.87 0.00 0.00 60.65 58.17 1k9m h LYS 208 Cb 0.47 -0.08 0.05 0.00 0.08 0.00 0.00 32.23 32.75 1k9m h LYS 208 CO -0.00 0.58 0.82 0.28 -0.57 0.00 0.00 179.45 180.56 1k9m n VAL 209 N -4.27 0.10 -1.47 0.50 0.31 -0.98 -4.97 118.33 107.56 1k9m n VAL 209 Ca 0.02 -0.02 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1k9m n VAL 209 Cb 0.25 -1.52 0.10 0.00 -0.91 0.00 0.00 33.84 31.76 1k9m n VAL 209 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1k9m s GLY 210 N 1.42 1.62 0.36 2.92 0.00 -1.26 -4.78 107.32 107.61 1k9m s GLY 210 Ca 0.82 -0.16 0.08 0.00 0.00 0.00 0.00 44.72 45.46 1k9m s GLY 210 CO 0.41 0.28 1.92 0.00 0.00 0.00 0.00 173.10 175.72 1k9m h ALA 211 N -1.19 1.78 -0.41 3.20 0.00 -1.98 0.61 119.26 121.28 1k9m h ALA 211 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1k9m h ALA 211 Cb 1.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1k9m h ALA 211 CO 0.58 0.06 0.21 -0.09 0.00 0.00 0.00 179.25 180.01 1k9m h ARG 212 N 0.71 0.58 0.05 0.00 2.43 -2.01 -1.82 114.38 114.32 1k9m h ARG 212 Ca 0.36 -0.07 -0.25 0.00 -0.81 0.00 0.00 59.98 59.21 1k9m h ARG 212 Cb 0.46 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1k9m h ARG 212 CO -0.14 0.48 -1.06 -0.22 -1.51 0.00 0.00 179.97 177.52 1k9m h LYS 213 N 0.52 0.43 -0.35 0.20 3.64 -1.81 -3.26 116.57 115.95 1k9m h LYS 213 Ca 0.14 -0.53 0.05 0.00 -1.27 0.00 0.00 60.65 59.04 1k9m h LYS 213 Cb 0.08 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 1k9m h LYS 213 CO -0.02 1.19 0.06 0.00 -2.27 0.00 0.00 179.45 178.41 1k9m h ARG 214 N 0.21 0.17 -0.62 1.90 3.08 -0.71 -0.62 114.38 117.81 1k9m h ARG 214 Ca -0.11 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.05 1k9m h ARG 214 Cb 1.73 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 31.63 1k9m h ARG 214 CO 0.19 0.12 0.01 1.49 -1.07 0.00 0.00 179.97 180.70 1k9m h GLU 215 N 0.18 0.12 -0.13 0.04 4.81 -1.38 1.02 114.58 119.24 1k9m h GLU 215 Ca 0.17 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1k9m h GLU 215 Cb 0.19 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1k9m h GLU 215 CO -0.22 0.08 0.03 0.00 -0.73 0.00 0.00 179.01 178.16 1k9m h ARG 216 N 0.12 0.21 -0.38 1.92 3.08 -1.48 -2.08 114.38 115.77 1k9m h ARG 216 Ca 0.32 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.35 1k9m h ARG 216 Cb 0.52 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 1k9m h ARG 216 CO -0.52 0.38 0.17 0.82 -1.07 0.00 0.00 179.97 179.75 1k9m h ILE 217 N -0.00 0.94 -0.68 2.04 2.04 0.41 -2.12 117.51 120.13 1k9m h ILE 217 Ca 0.04 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1k9m h ILE 217 Cb 0.27 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1k9m h ILE 217 CO 0.00 0.06 0.28 -0.33 0.00 0.00 0.00 178.15 178.17 1k9m h GLU 218 N 0.34 0.98 -0.00 2.37 5.08 0.11 -1.39 114.58 122.07 1k9m h GLU 218 Ca 0.17 -0.16 -0.21 0.00 -1.00 0.00 0.00 59.36 58.16 1k9m h GLU 218 Cb 0.10 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1k9m h GLU 218 CO -0.14 0.79 -0.91 1.05 -1.00 0.00 0.00 179.01 178.81 1k9m h GLU 219 N 0.97 0.33 0.00 2.33 4.11 -1.13 -2.97 114.58 118.22 1k9m h GLU 219 Ca 0.23 -0.36 0.00 0.00 0.07 0.00 0.00 59.36 59.30 1k9m h GLU 219 Cb 0.17 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1k9m h GLU 219 CO -0.02 1.04 -0.28 1.49 0.07 0.00 0.00 179.01 181.31 1k9m h GLU 220 N 0.19 0.00 -0.02 1.06 4.81 -1.28 -2.59 114.58 116.75 1k9m h GLU 220 Ca -0.06 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.90 1k9m h GLU 220 Cb 1.54 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.93 1k9m h GLU 220 CO 0.15 0.00 -1.01 0.00 -0.73 0.00 0.00 179.01 177.42 1k9m h ALA 221 N 2.13 0.16 -0.57 2.92 0.00 -1.30 -2.59 119.26 120.00 1k9m h ALA 221 Ca 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.13 1k9m h ALA 221 Cb 0.94 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1k9m h ALA 221 CO 0.00 0.69 -0.02 1.49 0.00 0.00 0.00 179.25 181.41 1k9m h GLU 222 N 0.41 1.01 0.00 0.00 4.81 -1.54 0.79 114.58 120.07 1k9m h GLU 222 Ca -0.12 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1k9m h GLU 222 Cb 1.66 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.95 1k9m h GLU 222 CO 0.20 1.01 0.00 -0.25 -0.73 0.00 0.00 179.01 179.23 1k9m n ASP 223 N -4.17 0.65 -1.16 1.04 8.00 -0.98 -1.57 116.55 118.36 1k9m n ASP 223 Ca 0.03 0.65 0.12 0.00 0.71 0.00 0.00 54.79 56.29 1k9m n ASP 223 Cb 0.35 -0.79 0.26 0.00 -0.02 0.00 0.00 41.12 40.92 1k9m n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k9m n ALA 224 N -1.76 2.42 -1.76 2.24 0.00 -0.78 -4.94 120.51 115.94 1k9m n ALA 224 Ca 0.03 -1.04 -0.13 0.00 0.00 0.00 0.00 53.44 52.30 1k9m n ALA 224 Cb 0.25 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 1k9m n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9m n GLY 225 N 1.52 0.70 3.81 0.00 0.00 -0.61 -4.57 105.19 106.03 1k9m n GLY 225 Ca 0.20 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1k9m n GLY 225 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k9m s ILE 226 N -2.55 4.95 0.18 -0.61 1.01 0.20 -4.45 121.20 119.93 1k9m s ILE 226 Ca 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.30 1k9m s ILE 226 Cb 0.00 -3.23 -0.07 0.00 0.01 0.00 0.00 42.46 39.17 1k9m s ILE 226 CO 0.00 0.44 0.56 -0.60 0.00 0.00 0.00 174.94 175.34 1k9m s ARG 227 N -1.51 3.93 -0.36 2.79 3.52 -1.26 -3.81 118.95 122.26 1k9m s ARG 227 Ca 0.21 0.44 -0.04 0.00 -0.13 0.00 0.00 55.73 56.20 1k9m s ARG 227 Cb -0.12 -2.81 0.07 0.00 -1.56 0.00 0.00 34.95 30.53 1k9m s ARG 227 CO 0.11 0.41 0.12 0.08 -0.81 0.00 0.00 175.30 175.21 1k9m s VAL 228 N -1.61 3.45 0.35 7.11 1.01 -1.26 -1.53 120.40 127.92 1k9m s VAL 228 Ca 0.42 -1.50 0.09 0.00 0.00 0.00 0.00 61.98 60.99 1k9m s VAL 228 Cb -0.14 -3.10 0.33 0.00 0.00 0.00 0.00 36.38 33.47 1k9m s VAL 228 CO 0.20 -0.34 1.83 -0.07 0.00 0.00 0.00 175.10 176.72 1k9m h LEU 229 N 8.13 0.67 -7.26 3.92 3.38 -1.54 -3.17 115.31 119.44 1k9m h LEU 229 Ca -0.20 0.06 -0.67 0.00 0.09 0.00 0.00 57.88 57.17 1k9m h LEU 229 Cb 1.07 -0.07 -0.38 0.00 0.09 0.00 0.00 40.66 41.37 1k9m h LEU 229 CO 0.63 0.29 -0.34 0.54 0.09 0.00 0.00 178.44 179.65 1k9m s ASN 230 N -5.61 5.37 0.48 -0.43 4.22 -1.26 -5.08 114.94 112.63 1k9m s ASN 230 Ca -0.10 -3.64 -0.12 0.00 -2.14 0.00 0.00 52.86 46.86 1k9m s ASN 230 Cb 0.23 -1.78 -0.06 0.00 1.28 0.00 0.00 41.25 40.92 1k9m s ASN 230 CO 0.79 -0.17 0.88 -2.16 -2.04 0.00 0.00 177.10 174.41 1k9m s PRO 231 N -1.19 3.78 0.20 3.55 0.04 -1.20 -4.77 135.00 135.41 1k9m s PRO 231 Ca 0.25 0.64 -0.20 0.00 0.04 0.00 0.00 61.00 61.72 1k9m s PRO 231 Cb -0.09 -2.26 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 1k9m s PRO 231 CO -0.12 -0.21 0.72 0.99 0.04 0.00 0.00 177.00 178.41 1k9m s THR 232 N -2.62 4.56 -0.31 1.26 2.01 -1.26 -4.87 115.64 114.41 1k9m s THR 232 Ca 0.54 1.32 -0.09 0.00 0.31 0.00 0.00 61.69 63.76 1k9m s THR 232 Cb -0.10 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1k9m s THR 232 CO 0.36 0.27 0.14 -0.31 -0.69 0.00 0.00 174.62 174.39 1k9m s TYR 233 N -1.45 3.18 0.10 4.92 1.51 -1.26 -1.49 117.35 122.86 1k9m s TYR 233 Ca 0.41 -0.75 0.05 0.00 -1.01 0.00 0.00 57.07 55.77 1k9m s TYR 233 Cb -0.18 -2.33 -0.04 0.00 -0.11 0.00 0.00 41.96 39.30 1k9m s TYR 233 CO 0.21 -0.52 0.01 0.08 -1.11 0.00 0.00 175.55 174.23 1k9m s VAL 234 N 1.57 4.07 -0.34 0.71 1.01 0.23 -4.81 120.40 122.84 1k9m s VAL 234 Ca 0.04 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 1k9m s VAL 234 Cb -0.17 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1k9m s VAL 234 CO 0.05 0.10 0.96 -1.61 0.00 0.00 0.00 175.10 174.59 1k9m s GLU 235 N -2.39 3.95 0.00 2.72 8.01 -1.26 -0.53 118.70 129.20 1k9m s GLU 235 Ca 0.26 0.77 0.00 0.00 0.01 0.00 0.00 54.97 56.01 1k9m s GLU 235 Cb -0.12 -3.76 0.00 0.00 -4.31 0.00 0.00 34.13 25.94 1k9m s GLU 235 CO 0.19 -0.88 0.44 0.28 0.01 0.00 0.00 175.26 175.30