#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxe s SER 106 N 0.00 4.17 0.01 1.61 0.15 -1.26 -5.11 113.70 113.27 1sxe s SER 106 Ca 0.00 -1.64 0.01 0.00 0.70 0.00 0.00 55.95 55.02 1sxe s SER 106 Cb 0.00 -1.18 -0.01 0.00 -1.71 0.00 0.00 66.02 63.12 1sxe s SER 106 CO 0.00 -0.35 -0.05 -2.28 1.20 0.00 0.00 173.24 171.76 1sxe s HIS 107 N 1.35 0.44 -1.20 3.44 5.65 -1.26 -4.88 115.29 118.82 1sxe s HIS 107 Ca 0.05 -0.20 -0.03 0.00 0.25 0.00 0.00 55.06 55.13 1sxe s HIS 107 Cb -0.18 -0.27 -0.02 0.00 -1.18 0.00 0.00 32.58 30.93 1sxe s HIS 107 CO -0.14 -0.04 0.85 -0.12 -0.65 0.00 0.00 174.74 174.65 1sxe n MET 108 N 2.52 -4.59 0.18 2.88 0.00 -1.26 -4.88 117.12 111.97 1sxe n MET 108 Ca -0.16 0.73 0.08 0.00 -0.00 0.00 0.00 57.70 58.35 1sxe n MET 108 Cb 0.57 -5.45 0.59 0.00 0.00 0.00 0.00 33.22 28.93 1sxe n MET 108 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1sxe h GLU 109 N -1.72 0.14 0.00 2.12 4.81 -2.03 -1.23 114.58 116.68 1sxe h GLU 109 Ca -0.61 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 1sxe h GLU 109 Cb 1.34 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1sxe h GLU 109 CO 0.51 0.09 0.00 -0.85 -0.73 0.00 0.00 179.01 178.03 1sxe n GLU 110 N -4.52 0.06 0.20 1.92 0.28 -1.26 -2.45 120.64 114.88 1sxe n GLU 110 Ca -0.01 0.25 0.09 0.00 -0.16 0.00 0.00 57.16 57.33 1sxe n GLU 110 Cb 0.11 -1.61 0.27 0.00 1.43 0.00 0.00 31.44 31.64 1sxe n GLU 110 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1sxe h LYS 111 N 0.00 0.00 0.00 3.44 1.63 -1.58 -2.75 116.57 117.31 1sxe h LYS 111 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1sxe h LYS 111 Cb 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1sxe h LYS 111 CO 0.00 0.23 0.00 0.72 -3.45 0.00 0.00 179.45 176.95 1sxe n HIS 112 N -3.23 0.00 -3.51 1.91 8.25 -1.02 -4.50 115.22 113.11 1sxe n HIS 112 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 1sxe n HIS 112 Cb 0.54 -0.39 -0.10 0.00 1.12 0.00 0.00 29.99 31.16 1sxe n HIS 112 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1sxe s MET 113 N -2.78 3.02 0.40 -0.41 -1.94 -1.04 -4.82 119.30 111.73 1sxe s MET 113 Ca 0.17 -0.97 -0.27 0.00 -1.71 0.00 0.00 55.69 52.91 1sxe s MET 113 Cb 0.16 -3.88 -0.09 0.00 2.01 0.00 0.00 34.83 33.03 1sxe s MET 113 CO 0.39 -0.68 1.35 -2.14 -0.01 0.00 0.00 175.02 173.93 1sxe s PRO 114 N 1.65 4.00 0.58 2.03 0.02 -1.26 -4.97 135.00 137.05 1sxe s PRO 114 Ca 0.04 2.27 -0.20 0.00 0.02 0.00 0.00 61.00 63.13 1sxe s PRO 114 Cb -0.19 -2.82 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 1sxe s PRO 114 CO 0.09 -0.50 1.29 -2.30 -0.33 0.00 0.00 177.00 175.25 1sxe n PRO 115 N 0.23 1.42 -1.57 5.54 -0.02 -1.26 -4.89 135.00 134.44 1sxe n PRO 115 Ca 0.03 0.53 -0.53 0.00 -2.02 0.00 0.00 63.50 61.51 1sxe n PRO 115 Cb 0.42 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.33 1sxe n PRO 115 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1sxe n PRO 116 N -1.27 0.94 0.00 0.52 -0.04 -1.26 -4.96 135.00 128.92 1sxe n PRO 116 Ca 0.12 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1sxe n PRO 116 Cb 0.46 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1sxe n PRO 116 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sxe n ASN 117 N 2.32 0.00 -4.87 3.54 3.02 -1.26 -5.03 115.26 112.98 1sxe n ASN 117 Ca 0.19 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.43 1sxe n ASN 117 Cb 0.17 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.33 1sxe n ASN 117 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1sxe s MET 118 N 0.85 3.70 0.00 3.52 -1.94 -1.26 -4.94 119.30 119.23 1sxe s MET 118 Ca 0.00 0.61 0.29 0.00 -1.71 0.00 0.00 55.69 54.87 1sxe s MET 118 Cb 0.00 -2.23 1.21 0.00 2.01 0.00 0.00 34.83 35.82 1sxe s MET 118 CO 0.00 -0.30 1.85 2.41 -0.01 0.00 0.00 175.02 178.97 1sxe n THR 119 N -2.06 0.00 1.02 2.05 -1.04 -1.26 -3.49 114.28 109.49 1sxe n THR 119 Ca 0.04 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1sxe n THR 119 Cb 0.54 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1sxe n THR 119 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1sxe n THR 120 N -0.98 0.00 1.28 12.58 -1.04 -1.26 -2.62 114.28 122.24 1sxe n THR 120 Ca 0.14 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.29 1sxe n THR 120 Cb 0.28 -0.23 0.67 0.00 -1.82 0.00 0.00 70.33 69.22 1sxe n THR 120 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1sxe n ASN 121 N -0.37 0.11 0.00 8.00 0.23 -1.19 -3.01 115.26 119.03 1sxe n ASN 121 Ca 0.00 -0.05 0.00 0.00 -0.53 0.00 0.00 54.58 54.00 1sxe n ASN 121 Cb 0.02 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.45 1sxe n ASN 121 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1sxe n GLU 122 N -1.30 0.00 -0.44 -3.83 4.07 -1.08 -0.17 120.64 117.90 1sxe n GLU 122 Ca 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1sxe n GLU 122 Cb 0.28 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.66 1sxe n GLU 122 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1sxe n ARG 123 N 0.00 0.00 0.00 5.31 3.00 -1.26 -5.08 116.66 118.63 1sxe n ARG 123 Ca 0.00 -0.94 0.00 0.00 -0.00 0.00 0.00 57.85 56.91 1sxe n ARG 123 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 32.46 31.96 1sxe n ARG 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1sxe n ARG 124 N -0.00 3.45 -1.74 -0.14 5.12 0.76 -5.02 116.66 119.10 1sxe n ARG 124 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 1sxe n ARG 124 Cb 0.67 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.96 1sxe n ARG 124 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1sxe n VAL 125 N 0.00 1.26 -0.68 1.55 0.31 -1.26 -4.83 118.33 114.67 1sxe n VAL 125 Ca 0.00 -0.31 -0.36 0.00 -0.01 0.00 0.00 64.34 63.66 1sxe n VAL 125 Cb 0.00 -1.86 -0.07 0.00 -0.91 0.00 0.00 33.84 31.00 1sxe n VAL 125 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1sxe n ILE 126 N 1.67 0.88 -3.93 2.52 2.08 -1.26 -4.64 119.36 116.68 1sxe n ILE 126 Ca 0.07 -0.70 -0.11 0.00 0.56 0.00 0.00 62.75 62.57 1sxe n ILE 126 Cb 0.36 -2.06 -0.13 0.00 -0.75 0.00 0.00 39.64 37.07 1sxe n ILE 126 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 1sxe s VAL 127 N 5.66 0.08 0.33 1.39 -7.23 -1.26 -4.00 120.40 115.37 1sxe s VAL 127 Ca 0.52 -0.37 -0.28 0.00 -1.81 0.00 0.00 61.98 60.04 1sxe s VAL 127 Cb 0.12 -0.14 -0.13 0.00 0.56 0.00 0.00 36.38 36.80 1sxe s VAL 127 CO 0.18 -0.18 1.28 -0.81 -0.31 0.00 0.00 175.10 175.26 1sxe n PRO 128 N 2.50 2.06 0.00 4.82 -0.04 -1.26 -3.15 135.00 139.93 1sxe n PRO 128 Ca -0.17 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1sxe n PRO 128 Cb 0.58 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1sxe n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sxe n ALA 129 N 0.52 1.26 -3.68 0.55 0.00 -1.16 -3.92 120.51 114.08 1sxe n ALA 129 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 1sxe n ALA 129 Cb 0.35 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.65 1sxe n ALA 129 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sxe s ASP 130 N -0.61 3.65 0.00 0.00 2.15 -1.26 -3.33 116.67 117.28 1sxe s ASP 130 Ca 0.00 -1.37 0.00 0.00 0.43 0.00 0.00 52.55 51.61 1sxe s ASP 130 Cb 0.00 -0.67 0.00 0.00 -0.30 0.00 0.00 42.92 41.95 1sxe s ASP 130 CO 0.00 -0.40 0.35 -2.65 -0.17 0.00 0.00 175.17 172.30 1sxe n PRO 131 N 5.00 0.24 -0.12 4.34 -0.02 -1.25 -2.44 135.00 140.75 1sxe n PRO 131 Ca -0.05 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.26 1sxe n PRO 131 Cb 0.43 -1.38 -0.13 0.00 -0.02 0.00 0.00 33.50 32.41 1sxe n PRO 131 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1sxe n THR 132 N 1.32 1.51 0.36 3.45 -2.24 -1.26 -3.73 114.28 113.68 1sxe n THR 132 Ca 0.00 -0.60 0.12 0.00 -2.27 0.00 0.00 64.05 61.29 1sxe n THR 132 Cb 0.12 -1.36 0.22 0.00 -2.10 0.00 0.00 70.33 67.21 1sxe n THR 132 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sxe n LEU 133 N -3.23 3.42 -4.61 3.22 4.77 -1.02 -1.10 117.00 118.44 1sxe n LEU 133 Ca -0.43 -1.46 -0.46 0.00 -0.03 0.00 0.00 56.01 53.63 1sxe n LEU 133 Cb 1.01 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.82 1sxe n LEU 133 CO 0.29 0.73 1.69 0.79 -1.33 0.00 0.00 177.39 179.56 1sxe n TRP 134 N 1.47 2.14 -1.12 -1.77 8.01 -1.26 -4.83 117.44 120.09 1sxe n TRP 134 Ca 0.19 -0.09 -0.30 0.00 -1.31 0.00 0.00 57.50 55.99 1sxe n TRP 134 Cb 0.60 -2.70 0.14 0.00 -2.01 0.00 0.00 31.31 27.34 1sxe n TRP 134 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 1sxe s SER 135 N 6.08 3.52 0.24 -0.99 0.01 -1.26 0.11 113.70 121.42 1sxe s SER 135 Ca 0.97 1.66 -0.06 0.00 1.31 0.00 0.00 55.95 59.84 1sxe s SER 135 Cb -0.54 -2.32 0.43 0.00 0.21 0.00 0.00 66.02 63.80 1sxe s SER 135 CO 0.44 -2.63 1.34 0.35 0.41 0.00 0.00 173.24 173.14 1sxe n THR 136 N -3.90 -0.36 0.09 1.44 -2.24 -1.26 -0.06 114.28 107.99 1sxe n THR 136 Ca 0.08 1.95 -0.16 0.00 -2.27 0.00 0.00 64.05 63.65 1sxe n THR 136 Cb 0.54 -2.72 -0.10 0.00 -2.10 0.00 0.00 70.33 65.95 1sxe n THR 136 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1sxe h ASP 137 N 0.00 0.56 0.67 3.42 3.58 -1.87 -3.14 116.42 119.64 1sxe h ASP 137 Ca 0.43 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1sxe h ASP 137 Cb 0.69 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1sxe h ASP 137 CO -0.87 1.36 0.00 1.41 -2.88 0.00 0.00 179.24 178.26 1sxe n HIS 138 N -3.67 0.66 0.04 0.28 8.25 0.91 0.01 115.22 121.71 1sxe n HIS 138 Ca -0.09 0.26 -0.22 0.00 -0.26 0.00 0.00 57.72 57.41 1sxe n HIS 138 Cb 0.95 -0.92 -0.14 0.00 1.12 0.00 0.00 29.99 30.99 1sxe n HIS 138 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1sxe h VAL 139 N 0.00 0.91 0.00 1.59 2.07 -0.52 -3.10 116.25 117.19 1sxe h VAL 139 Ca 0.00 -2.44 -0.07 0.00 0.82 0.00 0.00 66.70 65.01 1sxe h VAL 139 Cb 0.34 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1sxe h VAL 139 CO 0.00 0.81 -0.32 -0.09 0.02 0.00 0.00 177.57 177.99 1sxe h ARG 140 N -0.05 0.00 0.41 1.57 1.12 -1.41 0.23 114.38 116.25 1sxe h ARG 140 Ca -0.35 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.50 1sxe h ARG 140 Cb 1.97 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.93 1sxe h ARG 140 CO 0.12 0.32 -0.20 0.37 -3.11 0.00 0.00 179.97 177.48 1sxe h GLN 141 N 0.00 -0.53 0.18 0.20 4.15 -0.45 0.15 115.11 118.81 1sxe h GLN 141 Ca -0.00 0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.46 1sxe h GLN 141 Cb 0.69 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 1sxe h GLN 141 CO 0.04 -0.35 -0.21 2.35 -1.93 0.00 0.00 178.83 178.72 1sxe h TRP 142 N -0.61 -0.57 -0.94 3.99 7.01 -1.46 0.13 115.95 123.49 1sxe h TRP 142 Ca -0.06 0.01 0.28 0.00 2.11 0.00 0.00 58.89 61.23 1sxe h TRP 142 Cb 0.42 0.23 -0.15 0.00 -2.10 0.00 0.00 29.16 27.56 1sxe h TRP 142 CO 0.11 -0.32 0.40 1.25 -2.79 0.00 0.00 178.44 177.09 1sxe h LEU 143 N -0.44 0.25 0.25 0.65 5.85 -0.60 1.84 115.31 123.10 1sxe h LEU 143 Ca 0.01 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1sxe h LEU 143 Cb 0.43 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1sxe h LEU 143 CO -0.08 -0.15 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.42 1sxe h GLU 144 N 0.26 -0.33 0.00 1.25 5.08 -0.25 -2.88 114.58 117.72 1sxe h GLU 144 Ca 0.65 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.03 1sxe h GLU 144 Cb 1.40 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1sxe h GLU 144 CO -0.64 0.03 0.07 1.87 -1.00 0.00 0.00 179.01 179.34 1sxe n TRP 145 N -5.03 0.00 -0.10 4.33 -0.00 0.41 -1.95 117.44 115.11 1sxe n TRP 145 Ca -0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 57.50 57.19 1sxe n TRP 145 Cb 0.26 -0.39 -0.12 0.00 -0.00 0.00 0.00 31.31 31.07 1sxe n TRP 145 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1sxe n ALA 146 N -1.38 0.83 -0.18 5.87 0.00 0.60 -0.95 120.51 125.31 1sxe n ALA 146 Ca 0.00 -0.55 0.19 0.00 0.00 0.00 0.00 53.44 53.08 1sxe n ALA 146 Cb 0.07 -0.52 0.56 0.00 0.00 0.00 0.00 19.45 19.55 1sxe n ALA 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sxe h VAL 147 N -0.88 0.71 -0.16 0.00 2.07 -1.25 0.42 116.25 117.17 1sxe h VAL 147 Ca -0.39 -0.11 -0.14 0.00 0.82 0.00 0.00 66.70 66.89 1sxe h VAL 147 Cb 1.41 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1sxe h VAL 147 CO -0.19 0.06 -0.43 0.11 0.02 0.00 0.00 177.57 177.13 1sxe h LYS 148 N 0.31 0.57 0.00 1.57 1.79 -1.31 -2.07 116.57 117.43 1sxe h LYS 148 Ca 0.40 -0.40 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 1sxe h LYS 148 Cb 1.10 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.79 1sxe h LYS 148 CO -0.11 1.02 -1.01 1.49 -1.08 0.00 0.00 179.45 179.75 1sxe h GLU 149 N 0.21 0.00 -0.01 3.15 4.81 -0.54 -3.38 114.58 118.82 1sxe h GLU 149 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1sxe h GLU 149 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1sxe h GLU 149 CO 0.09 0.74 -0.17 0.66 -0.73 0.00 0.00 179.01 179.60 1sxe n TYR 150 N -3.23 0.00 -2.69 0.92 4.01 0.09 -5.00 117.16 111.27 1sxe n TYR 150 Ca -0.03 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.62 1sxe n TYR 150 Cb 0.90 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.97 1sxe n TYR 150 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sxe n GLY 151 N 0.96 -0.24 3.28 2.72 0.00 -0.81 -4.98 105.19 106.12 1sxe n GLY 151 Ca 0.07 0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1sxe n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxe s LEU 152 N -4.54 6.13 -0.07 0.99 1.43 -1.04 -4.92 118.68 116.65 1sxe s LEU 152 Ca 0.17 -2.06 -0.26 0.00 -1.03 0.00 0.00 54.13 50.96 1sxe s LEU 152 Cb -0.02 -2.14 -0.24 0.00 0.03 0.00 0.00 46.19 43.82 1sxe s LEU 152 CO 0.45 -0.73 0.99 -0.65 0.23 0.00 0.00 176.35 176.64 1sxe h PRO 153 N 8.46 0.10 -3.51 1.29 0.11 -1.94 -3.36 132.00 133.16 1sxe h PRO 153 Ca -0.18 -0.11 -0.69 0.00 0.11 0.00 0.00 66.00 65.12 1sxe h PRO 153 Cb 1.07 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1sxe h PRO 153 CO 0.92 0.88 3.42 -0.25 -0.21 0.00 0.00 178.00 182.77 1sxe n ASP 154 N -4.58 6.21 -3.71 -2.05 8.00 -1.26 -4.83 116.55 114.33 1sxe n ASP 154 Ca -0.10 -2.73 -0.23 0.00 0.71 0.00 0.00 54.79 52.45 1sxe n ASP 154 Cb 0.47 -1.60 -0.18 0.00 -0.02 0.00 0.00 41.12 39.79 1sxe n ASP 154 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sxe s VAL 155 N 2.56 0.14 -1.19 2.53 1.01 -1.26 -4.52 120.40 119.68 1sxe s VAL 155 Ca 0.57 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.60 1sxe s VAL 155 Cb 0.16 -0.43 0.22 0.00 0.00 0.00 0.00 36.38 36.33 1sxe s VAL 155 CO -0.07 0.12 1.45 0.59 0.00 0.00 0.00 175.10 177.18 1sxe n ASN 156 N 5.22 5.42 -0.02 3.32 5.03 -1.23 -4.84 115.26 128.16 1sxe n ASN 156 Ca -0.06 -3.07 -0.06 0.00 0.87 0.00 0.00 54.58 52.27 1sxe n ASN 156 Cb 0.50 -1.47 0.15 0.00 -1.02 0.00 0.00 39.78 37.93 1sxe n ASN 156 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.26 175.59 1sxe h ILE 157 N 4.06 1.28 0.00 2.41 3.07 -1.94 -2.76 117.51 123.63 1sxe h ILE 157 Ca 0.28 -1.37 0.00 0.00 1.55 0.00 0.00 64.86 65.32 1sxe h ILE 157 Cb 0.79 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.72 1sxe h ILE 157 CO 1.27 0.44 0.00 0.00 -1.05 0.00 0.00 178.15 178.81 1sxe n LEU 158 N -4.09 0.00 0.01 0.16 -0.00 -1.26 -1.13 117.00 110.69 1sxe n LEU 158 Ca -0.01 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.11 1sxe n LEU 158 Cb 0.44 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.74 1sxe n LEU 158 CO 0.43 0.00 -0.51 0.18 -0.00 0.00 0.00 177.39 177.49 1sxe n LEU 159 N -0.60 0.28 -0.33 1.47 4.32 -1.04 -4.15 117.00 116.95 1sxe n LEU 159 Ca 0.01 -0.03 0.12 0.00 -0.02 0.00 0.00 56.01 56.08 1sxe n LEU 159 Cb 0.00 -0.02 0.17 0.00 -1.62 0.00 0.00 43.42 41.96 1sxe n LEU 159 CO 0.01 0.02 0.45 0.49 -1.22 0.00 0.00 177.39 177.13 1sxe n PHE 160 N -2.18 0.00 -0.24 -1.77 3.01 -0.28 -4.38 117.46 111.62 1sxe n PHE 160 Ca -0.02 0.00 0.32 0.00 1.01 0.00 0.00 57.45 58.76 1sxe n PHE 160 Cb 0.52 -0.07 0.69 0.00 -0.01 0.00 0.00 39.48 40.62 1sxe n PHE 160 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1sxe h GLN 161 N 1.64 0.00 -0.24 -1.08 4.20 -1.72 0.72 115.11 118.63 1sxe h GLN 161 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sxe h GLN 161 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1sxe h GLN 161 CO 0.00 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.25 1sxe n ASN 162 N -3.84 3.14 -4.62 1.46 5.03 -1.26 -4.72 115.26 110.45 1sxe n ASN 162 Ca 0.23 -1.94 -0.36 0.00 0.87 0.00 0.00 54.58 53.38 1sxe n ASN 162 Cb 1.24 -0.15 -0.10 0.00 -1.02 0.00 0.00 39.78 39.75 1sxe n ASN 162 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1sxe s ILE 163 N -1.56 5.04 0.24 2.41 1.01 0.25 -5.01 121.20 123.58 1sxe s ILE 163 Ca 0.32 0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.07 1sxe s ILE 163 Cb 0.20 -3.33 0.03 0.00 0.01 0.00 0.00 42.46 39.37 1sxe s ILE 163 CO 0.28 0.38 0.25 -0.90 0.00 0.00 0.00 174.94 174.95 1sxe n ASP 164 N 4.17 1.36 -0.02 3.58 5.75 -1.26 -4.53 116.55 125.59 1sxe n ASP 164 Ca -0.16 -1.73 0.06 0.00 -0.01 0.00 0.00 54.79 52.96 1sxe n ASP 164 Cb 0.52 -0.09 0.45 0.00 -1.03 0.00 0.00 41.12 40.97 1sxe n ASP 164 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1sxe h GLY 165 N 0.17 0.57 2.00 6.12 0.00 0.73 -0.52 103.07 112.14 1sxe h GLY 165 Ca -0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1sxe h GLY 165 CO 0.20 0.17 -0.17 0.07 0.00 0.00 0.00 176.54 176.81 1sxe h LYS 166 N 0.50 0.00 0.00 4.80 5.09 -1.29 0.53 116.57 126.20 1sxe h LYS 166 Ca 0.19 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.80 1sxe h LYS 166 Cb 0.12 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.43 1sxe h LYS 166 CO -0.05 0.17 -1.73 -1.91 -2.09 0.00 0.00 179.45 173.84 1sxe n GLU 167 N -3.56 0.64 0.01 0.07 4.07 -0.32 -3.62 120.64 117.94 1sxe n GLU 167 Ca -0.01 0.03 -0.02 0.00 -0.06 0.00 0.00 57.16 57.10 1sxe n GLU 167 Cb 0.31 -1.66 -0.10 0.00 -0.06 0.00 0.00 31.44 29.93 1sxe n GLU 167 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1sxe n LEU 168 N -2.63 0.78 0.26 4.31 7.94 -0.54 -2.38 117.00 124.74 1sxe n LEU 168 Ca -0.11 0.35 0.15 0.00 -1.11 0.00 0.00 56.01 55.28 1sxe n LEU 168 Cb 0.78 0.12 0.67 0.00 0.53 0.00 0.00 43.42 45.52 1sxe n LEU 168 CO 0.43 0.21 0.95 0.00 -1.11 0.00 0.00 177.39 177.87 1sxe h LYS 170 N 0.00 -0.30 -2.99 0.00 3.64 -1.61 -3.48 116.57 111.83 1sxe h LYS 170 Ca -0.00 0.02 -0.39 0.00 -1.27 0.00 0.00 60.65 59.01 1sxe h LYS 170 Cb 0.51 0.07 0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1sxe h LYS 170 CO 0.01 -0.12 -0.00 -1.33 -2.27 0.00 0.00 179.45 175.74 1sxe n MET 171 N -4.98 0.00 -3.60 1.90 2.81 -1.00 -4.99 117.12 107.25 1sxe n MET 171 Ca -0.05 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.60 1sxe n MET 171 Cb 0.16 -0.72 0.02 0.00 -0.71 0.00 0.00 33.22 31.97 1sxe n MET 171 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1sxe s THR 172 N -0.05 1.75 0.54 2.03 -4.23 -1.26 -4.97 115.64 109.45 1sxe s THR 172 Ca 0.44 -1.32 0.21 0.00 -1.18 0.00 0.00 61.69 59.83 1sxe s THR 172 Cb -0.61 -2.07 0.30 0.00 1.34 0.00 0.00 72.50 71.46 1sxe s THR 172 CO 0.28 0.00 2.19 0.07 -0.54 0.00 0.00 174.62 176.62 1sxe h LYS 173 N 0.52 0.00 -0.17 3.99 2.10 -1.94 -1.79 116.57 119.28 1sxe h LYS 173 Ca -0.34 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.11 1sxe h LYS 173 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1sxe h LYS 173 CO 0.51 0.00 -0.69 0.22 -2.00 0.00 0.00 179.45 177.49 1sxe h ASP 174 N 0.00 0.83 0.02 7.07 3.58 -1.99 -3.08 116.42 122.85 1sxe h ASP 174 Ca 0.00 -0.51 -0.09 0.00 0.42 0.00 0.00 57.03 56.85 1sxe h ASP 174 Cb 0.01 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 1sxe h ASP 174 CO -0.00 1.29 -0.27 0.44 -2.88 0.00 0.00 179.24 177.82 1sxe h ASP 175 N 0.51 0.39 0.55 2.28 3.32 -1.70 -1.76 116.42 120.00 1sxe h ASP 175 Ca -0.03 -0.13 -0.16 0.00 0.02 0.00 0.00 57.03 56.73 1sxe h ASP 175 Cb 1.30 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1sxe h ASP 175 CO 0.14 0.66 -0.72 -0.26 -1.72 0.00 0.00 179.24 177.34 1sxe h PHE 176 N 0.35 0.19 0.00 4.55 -1.00 -1.56 -3.19 116.94 116.27 1sxe h PHE 176 Ca 0.05 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1sxe h PHE 176 Cb 0.66 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.19 1sxe h PHE 176 CO 0.02 0.80 0.00 1.04 -1.61 0.00 0.00 178.31 178.56 1sxe n GLN 177 N -3.75 0.26 0.00 1.51 6.02 -0.67 0.14 117.38 120.89 1sxe n GLN 177 Ca -0.02 0.12 0.10 0.00 -0.01 0.00 0.00 57.00 57.19 1sxe n GLN 177 Cb 0.69 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.52 1sxe n GLN 177 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1sxe n ARG 178 N -1.23 1.71 0.00 -1.09 1.85 -1.20 -3.93 116.66 112.77 1sxe n ARG 178 Ca 0.08 -1.50 0.00 0.00 -1.00 0.00 0.00 57.85 55.42 1sxe n ARG 178 Cb 0.11 -1.38 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 1sxe n ARG 178 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1sxe n LEU 179 N 0.84 0.21 -3.22 2.89 4.77 -0.44 -4.98 117.00 117.07 1sxe n LEU 179 Ca 0.11 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 1sxe n LEU 179 Cb 0.48 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1sxe n LEU 179 CO 0.15 0.03 0.03 -0.89 -1.33 0.00 0.00 177.39 175.39 1sxe s THR 180 N -1.67 -0.83 0.00 -5.08 2.01 0.38 -3.58 115.64 106.87 1sxe s THR 180 Ca 0.00 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1sxe s THR 180 Cb 0.00 -0.16 0.00 0.00 0.01 0.00 0.00 72.50 72.35 1sxe s THR 180 CO 0.00 -0.15 0.00 -0.81 -0.69 0.00 0.00 174.62 172.97 1sxe n PRO 181 N 4.28 0.90 0.00 4.92 -0.04 -1.25 -2.91 135.00 140.90 1sxe n PRO 181 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1sxe n PRO 181 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1sxe n PRO 181 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1sxe n SER 182 N -1.30 0.00 0.24 3.54 3.41 -1.26 -2.53 113.62 115.71 1sxe n SER 182 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 1sxe n SER 182 Cb 0.00 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.43 1sxe n SER 182 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1sxe h TYR 183 N 0.00 0.00 -0.17 7.33 -0.00 -1.97 -3.23 116.97 118.93 1sxe h TYR 183 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.73 58.52 1sxe h TYR 183 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 36.74 1sxe h TYR 183 CO 0.00 0.00 -0.70 -0.91 -0.00 0.00 0.00 178.16 176.55 1sxe h ASN 184 N 0.00 0.91 -0.15 0.10 4.21 -1.76 -0.65 115.58 118.23 1sxe h ASN 184 Ca 0.00 -0.61 0.05 0.00 1.21 0.00 0.00 56.30 56.94 1sxe h ASN 184 Cb 0.67 -0.27 -0.05 0.00 -1.12 0.00 0.00 38.32 37.56 1sxe h ASN 184 CO 0.00 1.37 -0.17 0.00 -1.29 0.00 0.00 177.43 177.34 1sxe h ALA 185 N 0.56 -0.09 -0.44 -0.83 0.00 -1.51 -1.49 119.26 115.46 1sxe h ALA 185 Ca -0.04 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1sxe h ALA 185 Cb 1.33 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1sxe h ALA 185 CO 0.15 -0.62 0.26 0.22 0.00 0.00 0.00 179.25 179.25 1sxe h ASP 186 N -0.21 0.53 0.20 0.00 1.82 -1.63 -0.81 116.42 116.31 1sxe h ASP 186 Ca 0.10 -0.06 0.01 0.00 -0.39 0.00 0.00 57.03 56.69 1sxe h ASP 186 Cb 0.36 -0.13 -0.04 0.00 0.68 0.00 0.00 39.33 40.20 1sxe h ASP 186 CO -0.27 0.44 -0.48 0.40 -1.61 0.00 0.00 179.24 177.71 1sxe h ILE 187 N 0.58 0.07 0.11 2.25 2.04 -0.83 0.72 117.51 122.44 1sxe h ILE 187 Ca 0.16 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1sxe h ILE 187 Cb 0.01 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 1sxe h ILE 187 CO -0.03 0.00 -0.23 -0.07 0.00 0.00 0.00 178.15 177.82 1sxe h LEU 188 N -0.76 -0.64 -0.30 1.44 3.38 -1.11 -2.08 115.31 115.23 1sxe h LEU 188 Ca -0.01 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1sxe h LEU 188 Cb 0.75 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1sxe h LEU 188 CO -0.23 -0.31 0.00 0.25 0.09 0.00 0.00 178.44 178.24 1sxe h LEU 189 N -0.42 0.52 -2.63 1.67 5.85 -1.12 -0.94 115.31 118.24 1sxe h LEU 189 Ca 0.03 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1sxe h LEU 189 Cb 0.44 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1sxe h LEU 189 CO -0.13 0.70 0.11 -1.28 -0.34 0.00 0.00 178.44 177.50 1sxe h SER 190 N 0.33 0.00 0.21 1.25 0.87 -0.70 0.93 113.55 116.44 1sxe h SER 190 Ca 0.09 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.30 1sxe h SER 190 Cb 0.43 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1sxe h SER 190 CO 0.01 0.00 -1.72 0.45 -0.53 0.00 0.00 176.83 175.04 1sxe h HIS 191 N 0.00 0.73 -0.27 2.24 3.86 -0.62 -3.33 115.15 117.75 1sxe h HIS 191 Ca 0.01 -0.53 -0.06 0.00 -1.16 0.00 0.00 60.37 58.63 1sxe h HIS 191 Cb 0.23 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1sxe h HIS 191 CO 0.00 1.65 -0.05 1.25 0.86 0.00 0.00 177.93 181.64 1sxe h LEU 192 N 0.11 0.52 -1.26 2.43 5.85 0.38 -1.20 115.31 122.13 1sxe h LEU 192 Ca -0.33 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.00 1sxe h LEU 192 Cb 2.10 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.99 1sxe h LEU 192 CO 0.19 0.76 -0.13 1.12 -0.34 0.00 0.00 178.44 180.03 1sxe h HIS 193 N 0.28 0.00 0.08 1.25 2.07 -1.12 -2.18 115.15 115.54 1sxe h HIS 193 Ca 0.07 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.30 1sxe h HIS 193 Cb 0.52 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.48 1sxe h HIS 193 CO 0.05 0.13 -1.51 -0.92 -3.07 0.00 0.00 177.93 172.60 1sxe h TYR 194 N 0.00 0.32 -0.69 6.12 3.20 -1.62 -3.06 116.97 121.23 1sxe h TYR 194 Ca -0.00 -0.23 0.06 0.00 3.14 0.00 0.00 58.73 61.70 1sxe h TYR 194 Cb 0.64 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.84 1sxe h TYR 194 CO 0.00 1.29 0.39 -0.07 -1.64 0.00 0.00 178.16 178.13 1sxe h LEU 195 N 0.05 0.58 -0.24 2.82 3.38 -0.62 -1.37 115.31 119.90 1sxe h LEU 195 Ca -0.23 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1sxe h LEU 195 Cb 1.98 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1sxe h LEU 195 CO 0.14 0.37 0.00 -2.11 0.09 0.00 0.00 178.44 176.93 1sxe n ARG 196 N -4.77 1.17 0.30 1.13 1.85 -0.90 -2.73 116.66 112.69 1sxe n ARG 196 Ca 0.09 -0.24 0.17 0.00 -1.00 0.00 0.00 57.85 56.87 1sxe n ARG 196 Cb 0.18 -1.48 0.91 0.00 -1.05 0.00 0.00 32.46 31.02 1sxe n ARG 196 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1sxe h GLU 197 N 0.58 0.00 -2.28 2.89 4.81 -1.13 -3.21 114.58 116.24 1sxe h GLU 197 Ca 0.00 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.64 1sxe h GLU 197 Cb 0.12 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.10 1sxe h GLU 197 CO 0.00 0.04 -0.81 0.25 -0.73 0.00 0.00 179.01 177.76 1sxe n THR 198 N -3.34 0.78 -1.48 0.32 -2.24 -1.11 -5.12 114.28 102.09 1sxe n THR 198 Ca -0.02 -4.54 -0.29 0.00 -2.27 0.00 0.00 64.05 56.93 1sxe n THR 198 Cb 0.18 -2.01 0.12 0.00 -2.10 0.00 0.00 70.33 66.52 1sxe n THR 198 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1sxe s PRO 199 N -1.58 1.56 0.06 -0.78 0.04 -1.21 -4.60 135.00 128.48 1sxe s PRO 199 Ca 0.35 0.54 -0.30 0.00 0.04 0.00 0.00 61.00 61.63 1sxe s PRO 199 Cb 0.12 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 1sxe s PRO 199 CO -0.09 -1.96 0.98 -0.48 0.04 0.00 0.00 177.00 175.49 1sxe s LEU 200 N -5.96 4.43 0.00 -3.56 -0.00 -1.26 -4.83 118.68 107.50 1sxe s LEU 200 Ca 0.62 1.75 0.30 0.00 -0.00 0.00 0.00 54.13 56.80 1sxe s LEU 200 Cb -0.15 -3.58 1.45 0.00 -0.00 0.00 0.00 46.19 43.90 1sxe s LEU 200 CO 0.54 -0.18 1.97 -0.81 -0.00 0.00 0.00 176.35 177.88