#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 -0.80 -0.28 1.61 0.15 -1.26 -5.05 113.70 108.07 1sxe s SER 106 Ca 0.00 1.15 0.13 0.00 0.70 0.00 0.00 55.95 57.93 1sxe s SER 106 Cb 0.00 1.77 0.48 0.00 -1.71 0.00 0.00 66.02 66.56 1sxe s SER 106 CO 0.00 -0.17 1.16 0.00 1.20 0.00 0.00 173.24 175.43 1sxe n HIS 107 N 4.85 2.18 -1.70 3.44 -0.00 -1.26 -4.90 115.22 117.82 1sxe n HIS 107 Ca -0.13 -2.21 -0.38 0.00 -0.00 0.00 0.00 57.72 55.00 1sxe n HIS 107 Cb 0.53 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.99 30.20 1sxe n HIS 107 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1sxe n MET 108 N -0.66 4.12 -2.27 -1.40 0.00 -1.26 -4.89 117.12 110.76 1sxe n MET 108 Ca 0.29 -2.90 -0.42 0.00 -0.00 0.00 0.00 57.70 54.67 1sxe n MET 108 Cb 0.90 -2.65 -0.01 0.00 0.00 0.00 0.00 33.22 31.47 1sxe n MET 108 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1sxe n GLU 109 N 2.33 2.93 -3.76 2.12 0.28 -1.26 -4.35 120.64 118.93 1sxe n GLU 109 Ca 0.67 -2.99 -0.25 0.00 -0.16 0.00 0.00 57.16 54.43 1sxe n GLU 109 Cb 0.28 -3.44 0.04 0.00 1.43 0.00 0.00 31.44 29.74 1sxe n GLU 109 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1sxe n GLU 110 N 7.74 -5.56 -0.12 3.44 1.02 -1.26 -4.90 120.64 121.00 1sxe n GLU 110 Ca 0.49 0.65 -0.21 0.00 -0.02 0.00 0.00 57.16 58.07 1sxe n GLU 110 Cb 0.44 -5.41 -0.12 0.00 -0.02 0.00 0.00 31.44 26.34 1sxe n GLU 110 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1sxe n LYS 111 N -4.49 0.64 -1.67 3.49 4.81 -1.26 -4.64 118.16 115.03 1sxe n LYS 111 Ca -0.14 0.20 -0.41 0.00 -0.87 0.00 0.00 58.31 57.08 1sxe n LYS 111 Cb 0.61 -1.53 -0.01 0.00 0.02 0.00 0.00 35.03 34.12 1sxe n LYS 111 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1sxe n HIS 112 N -3.56 3.22 -0.12 5.64 8.25 -1.26 -4.47 115.22 122.91 1sxe n HIS 112 Ca -0.47 -2.99 -0.23 0.00 -0.26 0.00 0.00 57.72 53.77 1sxe n HIS 112 Cb 0.96 -2.49 -0.09 0.00 1.12 0.00 0.00 29.99 29.49 1sxe n HIS 112 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1sxe n MET 113 N 5.27 0.56 -0.27 -0.41 2.81 -1.26 -4.40 117.12 119.43 1sxe n MET 113 Ca 0.58 0.37 0.07 0.00 -1.81 0.00 0.00 57.70 56.90 1sxe n MET 113 Cb 0.35 -1.57 0.21 0.00 -0.71 0.00 0.00 33.22 31.49 1sxe n MET 113 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1sxe h PRO 114 N -1.00 0.44 -5.81 0.03 0.11 -1.98 -3.44 132.00 120.35 1sxe h PRO 114 Ca -0.45 -0.03 -0.74 0.00 0.11 0.00 0.00 66.00 64.89 1sxe h PRO 114 Cb 1.35 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1sxe h PRO 114 CO -0.27 0.29 1.30 -0.35 -0.21 0.00 0.00 178.00 178.76 1sxe n PRO 115 N -5.00 0.00 -1.45 1.05 -0.04 -1.26 -4.79 135.00 123.51 1sxe n PRO 115 Ca 0.16 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.22 1sxe n PRO 115 Cb 0.45 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 1sxe n PRO 115 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1sxe n PRO 116 N 7.34 2.85 -1.07 0.54 -0.02 -1.26 -4.75 135.00 138.63 1sxe n PRO 116 Ca 0.54 -2.29 -0.15 0.00 -2.02 0.00 0.00 63.50 59.58 1sxe n PRO 116 Cb -0.04 -3.03 -0.15 0.00 -0.02 0.00 0.00 33.50 30.26 1sxe n PRO 116 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1sxe n ASN 117 N 5.42 5.55 -3.46 2.55 3.02 -1.26 -4.75 115.26 122.32 1sxe n ASN 117 Ca 0.59 -2.56 -0.26 0.00 -0.03 0.00 0.00 54.58 52.32 1sxe n ASN 117 Cb 0.33 -1.41 -0.12 0.00 -0.61 0.00 0.00 39.78 37.97 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 0.77 0.40 -0.16 3.52 -1.94 -1.26 -4.55 119.30 116.08 1sxe s MET 118 Ca 0.66 -0.82 0.07 0.00 -1.71 0.00 0.00 55.69 53.90 1sxe s MET 118 Cb 0.32 -1.07 -0.15 0.00 2.01 0.00 0.00 34.83 35.94 1sxe s MET 118 CO -0.03 -1.12 -0.05 0.25 -0.01 0.00 0.00 175.02 174.06 1sxe n THR 119 N 4.67 1.02 -3.44 2.05 -2.24 -1.26 -4.94 114.28 110.13 1sxe n THR 119 Ca 0.04 -0.51 -0.38 0.00 -2.27 0.00 0.00 64.05 60.93 1sxe n THR 119 Cb 0.41 -0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 67.71 1sxe n THR 119 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1sxe s THR 120 N -2.36 5.15 -1.34 4.28 -4.23 -1.26 -4.96 115.64 110.92 1sxe s THR 120 Ca -0.16 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 1sxe s THR 120 Cb 0.05 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1sxe s THR 120 CO 0.51 0.45 0.00 -0.46 -0.54 0.00 0.00 174.62 174.58 1sxe n ASN 121 N 2.86 0.00 -0.41 3.99 0.23 -1.25 -2.22 115.26 118.46 1sxe n ASN 121 Ca -0.11 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 53.98 1sxe n ASN 121 Cb 0.52 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.20 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 0.00 -0.98 0.00 -3.83 0.00 -1.26 -4.81 120.64 109.76 1sxe n GLU 122 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 57.16 57.96 1sxe n GLU 122 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 31.44 30.34 1sxe n GLU 122 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1sxe n ARG 123 N -2.45 0.00 -0.15 5.31 3.00 -1.26 -4.70 116.66 116.41 1sxe n ARG 123 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1sxe n ARG 123 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.64 1sxe n ARG 123 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1sxe n ARG 124 N 0.00 1.66 -1.61 -0.14 -4.01 -1.26 -5.00 116.66 106.31 1sxe n ARG 124 Ca 0.00 0.00 -0.49 0.00 -1.04 0.00 0.00 57.85 56.32 1sxe n ARG 124 Cb 0.00 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.37 1sxe n ARG 124 CO 0.00 0.00 0.00 1.33 -3.04 0.00 0.00 177.63 175.92 1sxe n VAL 125 N -0.39 0.42 -1.47 8.89 0.24 -1.26 -4.78 118.33 119.98 1sxe n VAL 125 Ca 0.00 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.34 61.86 1sxe n VAL 125 Cb 0.00 -1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 31.27 1sxe n VAL 125 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1sxe n ILE 126 N 2.24 1.29 -3.78 1.34 2.08 -1.26 -4.26 119.36 117.01 1sxe n ILE 126 Ca 0.16 -1.25 -0.13 0.00 0.56 0.00 0.00 62.75 62.09 1sxe n ILE 126 Cb 0.24 -2.16 -0.10 0.00 -0.75 0.00 0.00 39.64 36.87 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 9.57 0.03 0.35 1.39 -7.23 -1.26 -4.93 120.40 118.33 1sxe s VAL 127 Ca 0.67 -0.28 -0.26 0.00 -1.81 0.00 0.00 61.98 60.30 1sxe s VAL 127 Cb 0.06 -0.51 -0.13 0.00 0.56 0.00 0.00 36.38 36.36 1sxe s VAL 127 CO 0.17 -0.16 0.89 -0.81 -0.31 0.00 0.00 175.10 174.89 1sxe n PRO 128 N 2.04 1.13 -0.15 4.82 -0.04 -0.94 -3.97 135.00 137.88 1sxe n PRO 128 Ca -0.18 0.40 0.28 0.00 -0.04 0.00 0.00 63.50 63.96 1sxe n PRO 128 Cb 0.57 -1.80 0.72 0.00 -0.04 0.00 0.00 33.50 32.95 1sxe n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sxe h ALA 129 N 1.55 2.75 -2.30 0.55 0.00 -1.79 -3.34 119.26 116.68 1sxe h ALA 129 Ca -0.41 -0.03 -0.62 0.00 0.00 0.00 0.00 54.91 53.86 1sxe h ALA 129 Cb 1.36 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 19.09 1sxe h ALA 129 CO 0.57 -1.12 0.24 -0.51 0.00 0.00 0.00 179.25 178.44 1sxe s ASP 130 N -5.33 6.52 0.00 0.00 1.01 -1.24 -2.76 116.67 114.87 1sxe s ASP 130 Ca -0.05 0.38 0.00 0.00 0.71 0.00 0.00 52.55 53.59 1sxe s ASP 130 Cb 0.20 -2.36 0.00 0.00 1.01 0.00 0.00 42.92 41.77 1sxe s ASP 130 CO 0.71 -0.59 0.70 -2.65 0.21 0.00 0.00 175.17 173.55 1sxe n PRO 131 N 6.10 0.79 -0.10 8.23 -0.02 -1.25 -3.27 135.00 145.47 1sxe n PRO 131 Ca 0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.37 1sxe n PRO 131 Cb 0.48 -1.17 -0.15 0.00 -0.02 0.00 0.00 33.50 32.65 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 0.49 1.37 0.49 3.45 -2.24 -1.26 -4.09 114.28 112.48 1sxe n THR 132 Ca 0.00 -0.76 0.12 0.00 -2.27 0.00 0.00 64.05 61.14 1sxe n THR 132 Cb 0.35 -0.70 0.18 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.85 3.34 -4.68 3.22 4.77 -1.20 -0.41 117.00 119.19 1sxe n LEU 133 Ca -0.35 -1.37 -0.47 0.00 -0.03 0.00 0.00 56.01 53.80 1sxe n LEU 133 Cb 1.10 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.96 1sxe n LEU 133 CO 0.37 0.68 1.50 0.79 -1.33 0.00 0.00 177.39 179.40 1sxe n TRP 134 N 1.45 2.38 -1.01 -1.77 8.01 -1.26 -4.80 117.44 120.45 1sxe n TRP 134 Ca 0.18 -0.07 -0.33 0.00 -1.31 0.00 0.00 57.50 55.97 1sxe n TRP 134 Cb 0.60 -2.69 0.14 0.00 -2.01 0.00 0.00 31.31 27.35 1sxe n TRP 134 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1sxe s SER 135 N 3.89 3.45 0.25 -0.99 0.15 -1.26 0.87 113.70 120.07 1sxe s SER 135 Ca 0.91 2.29 0.07 0.00 0.70 0.00 0.00 55.95 59.92 1sxe s SER 135 Cb -0.63 -2.58 0.75 0.00 -1.71 0.00 0.00 66.02 61.85 1sxe s SER 135 CO 0.48 -2.76 1.20 0.35 1.20 0.00 0.00 173.24 173.71 1sxe n THR 136 N -3.57 -0.32 0.05 6.45 -2.24 -1.26 0.19 114.28 113.59 1sxe n THR 136 Ca 0.13 1.62 -0.11 0.00 -2.27 0.00 0.00 64.05 63.42 1sxe n THR 136 Cb 0.51 -2.47 -0.13 0.00 -2.10 0.00 0.00 70.33 66.14 1sxe n THR 136 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1sxe h ASP 137 N 0.00 0.16 0.83 3.42 2.03 -1.86 -3.15 116.42 117.85 1sxe h ASP 137 Ca 0.53 -0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1sxe h ASP 137 Cb 1.24 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1sxe h ASP 137 CO -0.67 1.16 0.00 1.41 -1.03 0.00 0.00 179.24 180.12 1sxe n HIS 138 N -3.35 0.82 0.04 4.15 8.25 0.13 -0.91 115.22 124.36 1sxe n HIS 138 Ca -0.08 0.31 -0.21 0.00 -0.26 0.00 0.00 57.72 57.47 1sxe n HIS 138 Cb 1.00 -1.00 -0.14 0.00 1.12 0.00 0.00 29.99 30.97 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 0.83 0.00 1.59 2.07 -0.69 -3.02 116.25 117.04 1sxe h VAL 139 Ca 0.00 -2.49 -0.04 0.00 0.82 0.00 0.00 66.70 65.00 1sxe h VAL 139 Cb 0.41 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1sxe h VAL 139 CO 0.00 0.86 -0.17 -0.09 0.02 0.00 0.00 177.57 178.19 1sxe h ARG 140 N 0.09 0.00 0.40 1.57 1.12 -1.50 -1.14 114.38 114.92 1sxe h ARG 140 Ca -0.36 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.49 1sxe h ARG 140 Cb 2.06 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 32.03 1sxe h ARG 140 CO 0.14 0.17 -0.19 0.37 -3.11 0.00 0.00 179.97 177.35 1sxe h GLN 141 N 0.00 -0.52 0.07 0.20 4.15 -0.98 0.80 115.11 118.83 1sxe h GLN 141 Ca -0.00 0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.47 1sxe h GLN 141 Cb 0.75 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.53 1sxe h GLN 141 CO 0.02 -0.35 -0.19 2.35 -1.93 0.00 0.00 178.83 178.74 1sxe h TRP 142 N -0.65 -0.49 -1.16 3.99 7.01 -1.55 0.69 115.95 123.78 1sxe h TRP 142 Ca -0.06 0.01 0.33 0.00 2.11 0.00 0.00 58.89 61.29 1sxe h TRP 142 Cb 0.42 0.21 -0.09 0.00 -2.10 0.00 0.00 29.16 27.59 1sxe h TRP 142 CO 0.09 -0.27 0.77 1.25 -2.79 0.00 0.00 178.44 177.49 1sxe h LEU 143 N -0.34 0.29 0.06 0.65 5.85 -1.25 1.33 115.31 121.90 1sxe h LEU 143 Ca 0.03 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1sxe h LEU 143 Cb 0.38 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1sxe h LEU 143 CO -0.13 0.00 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.61 1sxe h GLU 144 N 0.22 -0.08 0.00 1.25 5.08 -0.15 -2.76 114.58 118.15 1sxe h GLU 144 Ca 0.65 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.02 1sxe h GLU 144 Cb 1.99 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.26 1sxe h GLU 144 CO -0.26 0.41 0.09 1.87 -1.00 0.00 0.00 179.01 180.13 1sxe n TRP 145 N -4.78 0.00 -0.09 4.33 -0.00 0.17 -1.06 117.44 116.01 1sxe n TRP 145 Ca -0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.29 1sxe n TRP 145 Cb 0.26 -0.38 -0.06 0.00 -0.00 0.00 0.00 31.31 31.13 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 -1.37 0.72 -0.33 5.87 0.00 0.44 -1.75 120.51 124.10 1sxe n ALA 146 Ca 0.00 -0.59 0.19 0.00 0.00 0.00 0.00 53.44 53.05 1sxe n ALA 146 Cb 0.09 -0.17 0.45 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.00 0.57 0.00 0.00 2.07 -1.14 0.32 116.25 117.07 1sxe h VAL 147 Ca -0.21 -0.17 -0.19 0.00 0.82 0.00 0.00 66.70 66.95 1sxe h VAL 147 Cb 0.99 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1sxe h VAL 147 CO -0.13 0.09 -0.85 0.11 0.02 0.00 0.00 177.57 176.81 1sxe h LYS 148 N 0.51 0.09 0.04 1.57 1.79 -1.18 -2.34 116.57 117.05 1sxe h LYS 148 Ca 0.59 -0.11 -0.28 0.00 -2.18 0.00 0.00 60.65 58.68 1sxe h LYS 148 Cb 1.30 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.96 1sxe h LYS 148 CO -0.34 0.89 -1.47 1.49 -1.08 0.00 0.00 179.45 178.94 1sxe h GLU 149 N 0.05 0.08 -0.02 3.15 4.57 -0.38 -3.40 114.58 118.64 1sxe h GLU 149 Ca -0.03 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1sxe h GLU 149 Cb 1.49 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.13 1sxe h GLU 149 CO 0.12 0.85 -0.19 0.66 -1.18 0.00 0.00 179.01 179.27 1sxe n TYR 150 N -3.27 0.00 -2.84 0.92 4.01 0.10 -4.97 117.16 111.11 1sxe n TYR 150 Ca -0.12 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.52 1sxe n TYR 150 Cb 1.02 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 40.09 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 1.06 0.10 3.60 2.72 0.00 -0.90 -4.96 105.19 106.80 1sxe n GLY 151 Ca 0.08 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.18 4.10 -0.10 0.99 1.43 -1.08 -4.96 118.68 114.87 1sxe s LEU 152 Ca 0.11 0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 53.61 1sxe s LEU 152 Cb -0.05 -3.07 -0.09 0.00 0.03 0.00 0.00 46.19 43.01 1sxe s LEU 152 CO 0.37 -0.70 0.31 -0.65 0.23 0.00 0.00 176.35 175.91 1sxe h PRO 153 N 8.33 -0.04 -0.67 1.29 0.11 -1.93 -3.38 132.00 135.71 1sxe h PRO 153 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1sxe h PRO 153 Cb 1.09 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1sxe h PRO 153 CO 0.91 0.28 0.00 -3.47 -0.21 0.00 0.00 178.00 175.51 1sxe n ASP 154 N -4.76 3.26 -4.61 -2.05 2.03 -1.26 -4.82 116.55 104.34 1sxe n ASP 154 Ca -0.04 -2.38 -0.42 0.00 0.52 0.00 0.00 54.79 52.47 1sxe n ASP 154 Cb 0.16 -0.52 -0.04 0.00 -0.72 0.00 0.00 41.12 40.01 1sxe n ASP 154 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1sxe s VAL 155 N -1.84 4.62 -0.52 5.18 1.01 -1.26 -4.72 120.40 122.87 1sxe s VAL 155 Ca 0.30 1.23 -0.15 0.00 0.00 0.00 0.00 61.98 63.35 1sxe s VAL 155 Cb 0.21 -4.31 0.11 0.00 0.00 0.00 0.00 36.38 32.39 1sxe s VAL 155 CO 0.12 -0.48 0.46 0.21 0.00 0.00 0.00 175.10 175.40 1sxe s ASN 156 N 1.82 6.15 0.15 3.32 3.04 -1.26 -4.94 114.94 123.21 1sxe s ASN 156 Ca 0.38 -1.66 -0.02 0.00 0.04 0.00 0.00 52.86 51.60 1sxe s ASN 156 Cb -0.12 -2.19 -0.02 0.00 -1.54 0.00 0.00 41.25 37.38 1sxe s ASN 156 CO 0.17 -0.79 1.37 0.40 -3.04 0.00 0.00 177.10 175.21 1sxe h ILE 157 N 5.86 1.41 0.00 -5.21 2.04 -1.95 -2.96 117.51 116.71 1sxe h ILE 157 Ca -0.29 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.20 1sxe h ILE 157 Cb 1.10 2.32 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 1sxe h ILE 157 CO 0.98 0.71 0.00 0.00 0.00 0.00 0.00 178.15 179.84 1sxe n LEU 158 N -3.76 0.00 -0.04 1.44 -0.00 -1.26 -0.93 117.00 112.44 1sxe n LEU 158 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.93 1sxe n LEU 158 Cb 0.78 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 44.06 1sxe n LEU 158 CO 0.49 0.00 -0.84 0.18 -0.00 0.00 0.00 177.39 177.22 1sxe n LEU 159 N -0.50 0.23 0.00 1.47 4.32 -1.12 -4.35 117.00 117.06 1sxe n LEU 159 Ca 0.00 0.10 0.11 0.00 -0.02 0.00 0.00 56.01 56.20 1sxe n LEU 159 Cb 0.00 0.26 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 1sxe n LEU 159 CO 0.00 0.29 0.09 0.49 -1.22 0.00 0.00 177.39 177.04 1sxe n PHE 160 N -2.67 0.03 -0.45 -1.77 3.01 -0.11 -4.45 117.46 111.05 1sxe n PHE 160 Ca -0.20 0.01 0.38 0.00 1.01 0.00 0.00 57.45 58.65 1sxe n PHE 160 Cb 0.94 -0.13 0.70 0.00 -0.01 0.00 0.00 39.48 40.97 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 0.00 0.09 -0.62 -1.08 4.20 -1.74 0.67 115.11 116.62 1sxe h GLN 161 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1sxe h GLN 161 Cb 0.54 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1sxe h GLN 161 CO 0.00 0.06 0.00 0.09 -0.67 0.00 0.00 178.83 178.31 1sxe n ASN 162 N -4.35 3.81 -4.65 1.46 5.03 -1.26 -4.61 115.26 110.68 1sxe n ASN 162 Ca 0.33 -2.00 -0.36 0.00 0.87 0.00 0.00 54.58 53.43 1sxe n ASN 162 Cb 1.42 -0.41 -0.10 0.00 -1.02 0.00 0.00 39.78 39.67 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 -1.16 5.09 0.39 2.41 1.01 0.23 -4.83 121.20 124.34 1sxe s ILE 163 Ca 0.46 0.08 0.05 0.00 0.00 0.00 0.00 60.65 61.24 1sxe s ILE 163 Cb 0.25 -3.34 0.07 0.00 0.01 0.00 0.00 42.46 39.45 1sxe s ILE 163 CO 0.33 0.40 0.54 -0.90 0.00 0.00 0.00 174.94 175.31 1sxe n ASP 164 N 3.94 1.26 -0.11 3.58 5.75 -1.26 -4.39 116.55 125.32 1sxe n ASP 164 Ca -0.16 -1.94 0.02 0.00 -0.01 0.00 0.00 54.79 52.71 1sxe n ASP 164 Cb 0.52 -0.30 0.33 0.00 -1.03 0.00 0.00 41.12 40.64 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 -0.03 0.81 2.00 6.12 0.00 0.40 0.75 103.07 113.13 1sxe h GLY 165 Ca -0.18 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 1sxe h GLY 165 CO 0.24 0.30 -0.39 0.07 0.00 0.00 0.00 176.54 176.77 1sxe h LYS 166 N 0.78 0.00 0.00 4.80 2.10 -0.91 0.32 116.57 123.66 1sxe h LYS 166 Ca 0.21 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.67 1sxe h LYS 166 Cb -0.08 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.22 1sxe h LYS 166 CO -0.04 0.39 -1.59 -1.91 -2.00 0.00 0.00 179.45 174.29 1sxe n GLU 167 N -3.80 0.63 -0.03 0.07 4.07 -0.57 -3.51 120.64 117.50 1sxe n GLU 167 Ca -0.01 0.17 -0.14 0.00 -0.06 0.00 0.00 57.16 57.11 1sxe n GLU 167 Cb 0.46 -1.75 -0.14 0.00 -0.06 0.00 0.00 31.44 29.95 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 -2.83 1.61 0.00 4.31 7.94 0.15 -3.76 117.00 124.42 1sxe n LEU 168 Ca -0.12 0.26 0.14 0.00 -1.11 0.00 0.00 56.01 55.18 1sxe n LEU 168 Cb 0.87 -0.36 0.67 0.00 0.53 0.00 0.00 43.42 45.13 1sxe n LEU 168 CO 0.43 0.61 0.98 0.00 -1.11 0.00 0.00 177.39 178.31 1sxe n LYS 170 N -1.42 2.34 -3.48 0.00 5.02 -1.23 -4.98 118.16 114.41 1sxe n LYS 170 Ca 0.10 -3.42 -0.36 0.00 -2.02 0.00 0.00 58.31 52.60 1sxe n LYS 170 Cb 0.30 -1.99 -0.06 0.00 -0.02 0.00 0.00 35.03 33.27 1sxe n LYS 170 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1sxe s MET 171 N -3.41 3.90 0.54 1.97 -1.94 -0.91 -4.98 119.30 114.47 1sxe s MET 171 Ca 0.49 0.37 0.00 0.00 -1.71 0.00 0.00 55.69 54.84 1sxe s MET 171 Cb 0.42 -3.08 0.03 0.00 2.01 0.00 0.00 34.83 34.21 1sxe s MET 171 CO 0.01 0.60 0.77 0.95 -0.01 0.00 0.00 175.02 177.34 1sxe s THR 172 N -1.28 2.98 0.52 2.05 -4.23 -1.26 -4.94 115.64 109.48 1sxe s THR 172 Ca 0.30 -0.57 0.25 0.00 -1.18 0.00 0.00 61.69 60.50 1sxe s THR 172 Cb -0.16 -3.13 0.40 0.00 1.34 0.00 0.00 72.50 70.96 1sxe s THR 172 CO 0.17 -0.09 1.98 0.11 -0.54 0.00 0.00 174.62 176.24 1sxe h LYS 173 N 0.08 0.03 0.00 3.99 1.57 -1.99 -0.50 116.57 119.75 1sxe h LYS 173 Ca -0.43 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.27 1sxe h LYS 173 Cb 1.29 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1sxe h LYS 173 CO 0.54 0.02 -0.60 0.22 -0.57 0.00 0.00 179.45 179.06 1sxe h ASP 174 N 0.03 0.00 0.31 0.86 3.58 -1.98 -3.02 116.42 116.20 1sxe h ASP 174 Ca 0.28 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.63 1sxe h ASP 174 Cb 1.06 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 1sxe h ASP 174 CO -0.01 0.31 -0.41 0.44 -2.88 0.00 0.00 179.24 176.68 1sxe h ASP 175 N 0.00 0.14 0.92 2.28 3.32 -1.45 -2.11 116.42 119.52 1sxe h ASP 175 Ca -0.03 -0.06 -0.20 0.00 0.02 0.00 0.00 57.03 56.76 1sxe h ASP 175 Cb 1.26 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 1sxe h ASP 175 CO 0.03 0.54 -0.94 -0.26 -1.72 0.00 0.00 179.24 176.89 1sxe h PHE 176 N 0.11 0.02 0.00 4.55 -1.00 -1.51 -3.28 116.94 115.84 1sxe h PHE 176 Ca 0.01 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1sxe h PHE 176 Cb 0.78 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.34 1sxe h PHE 176 CO 0.01 0.95 0.00 1.04 -1.61 0.00 0.00 178.31 178.70 1sxe n GLN 177 N -3.43 0.51 0.00 1.51 6.02 -0.82 0.10 117.38 121.28 1sxe n GLN 177 Ca -0.00 0.03 0.11 0.00 -0.01 0.00 0.00 57.00 57.12 1sxe n GLN 177 Cb 0.89 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.71 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 -1.19 1.79 0.00 -1.09 1.85 -1.07 -3.61 116.66 113.34 1sxe n ARG 178 Ca 0.14 -1.49 0.00 0.00 -1.00 0.00 0.00 57.85 55.51 1sxe n ARG 178 Cb 0.16 -1.42 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 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 0.77 0.00 -3.13 2.89 4.77 -0.43 -4.98 117.00 116.89 1sxe n LEU 179 Ca 0.11 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.13 1sxe n LEU 179 Cb 0.50 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1sxe n LEU 179 CO 0.18 0.00 0.22 -0.89 -1.33 0.00 0.00 177.39 175.57 1sxe s THR 180 N -1.88 -0.76 0.20 -5.08 2.01 0.29 -4.51 115.64 105.90 1sxe s THR 180 Ca 0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1sxe s THR 180 Cb 0.00 -0.55 -0.08 0.00 0.01 0.00 0.00 72.50 71.88 1sxe s THR 180 CO 0.00 0.00 1.14 -2.16 -0.69 0.00 0.00 174.62 172.91 1sxe s PRO 181 N 2.60 4.56 1.15 4.92 0.04 -1.24 -3.52 135.00 143.51 1sxe s PRO 181 Ca 0.16 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1sxe s PRO 181 Cb -0.06 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1sxe s PRO 181 CO -0.21 0.03 0.00 0.43 0.04 0.00 0.00 177.00 177.29 1sxe n SER 182 N 2.23 0.00 -4.82 6.66 7.64 -1.26 -4.72 113.62 119.35 1sxe n SER 182 Ca 0.03 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.58 1sxe n SER 182 Cb 0.45 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.62 1sxe n SER 182 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1sxe s TYR 183 N 0.00 3.20 0.00 1.43 1.13 -1.26 -2.41 117.35 119.44 1sxe s TYR 183 Ca 0.00 1.55 0.00 0.00 -1.41 0.00 0.00 57.07 57.21 1sxe s TYR 183 Cb 0.00 -2.92 0.00 0.00 -1.10 0.00 0.00 41.96 37.94 1sxe s TYR 183 CO 0.00 -0.54 0.00 0.09 -2.51 0.00 0.00 175.55 172.59 1sxe n ASN 184 N -1.19 0.00 0.22 -0.18 5.03 -1.26 -4.57 115.26 113.30 1sxe n ASN 184 Ca 0.08 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.38 1sxe n ASN 184 Cb 0.53 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.22 1sxe n ASN 184 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sxe h ALA 185 N 0.00 -0.56 0.00 5.41 0.00 -1.69 0.35 119.26 122.78 1sxe h ALA 185 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sxe h ALA 185 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1sxe h ALA 185 CO 0.00 -0.83 0.00 -3.47 0.00 0.00 0.00 179.25 174.95 1sxe n ASP 186 N -5.36 0.00 -0.03 0.00 2.03 -1.01 -1.62 116.55 110.56 1sxe n ASP 186 Ca -0.10 0.43 -0.02 0.00 0.52 0.00 0.00 54.79 55.62 1sxe n ASP 186 Cb 0.26 -0.44 -0.01 0.00 -0.72 0.00 0.00 41.12 40.21 1sxe n ASP 186 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1sxe n ILE 187 N -1.44 0.51 -0.09 5.18 2.08 -0.78 -4.09 119.36 120.72 1sxe n ILE 187 Ca 0.01 0.39 -0.06 0.00 0.56 0.00 0.00 62.75 63.66 1sxe n ILE 187 Cb 0.04 -1.82 0.00 0.00 -0.75 0.00 0.00 39.64 37.12 1sxe n ILE 187 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1sxe h LEU 188 N -0.36 -0.36 0.11 1.39 3.38 -0.90 -2.07 115.31 116.51 1sxe h LEU 188 Ca 0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1sxe h LEU 188 Cb 0.21 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1sxe h LEU 188 CO 0.00 -0.13 -0.05 0.25 0.09 0.00 0.00 178.44 178.59 1sxe h LEU 189 N -0.03 -0.13 -0.60 1.67 5.85 -1.52 -0.77 115.31 119.78 1sxe h LEU 189 Ca 0.16 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1sxe h LEU 189 Cb 0.27 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 1sxe h LEU 189 CO -0.36 -0.06 0.23 0.28 -0.34 0.00 0.00 178.44 178.18 1sxe h SER 190 N -0.18 0.23 -0.65 1.25 0.02 -1.65 -0.99 113.55 111.58 1sxe h SER 190 Ca -0.02 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1sxe h SER 190 Cb 0.14 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 1sxe h SER 190 CO 0.03 0.14 0.22 0.45 -1.14 0.00 0.00 176.83 176.52 1sxe h HIS 191 N 0.41 1.05 -0.39 3.45 3.86 -0.95 -1.70 115.15 120.88 1sxe h HIS 191 Ca 0.30 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.36 1sxe h HIS 191 Cb 0.36 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1sxe h HIS 191 CO -0.17 0.83 -0.01 1.25 0.86 0.00 0.00 177.93 180.69 1sxe h LEU 192 N 0.99 0.59 -0.07 2.43 5.85 -0.25 0.66 115.31 125.51 1sxe h LEU 192 Ca 0.22 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1sxe h LEU 192 Cb 0.27 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1sxe h LEU 192 CO -0.01 0.67 0.00 1.41 -0.34 0.00 0.00 178.44 180.17 1sxe n HIS 193 N -4.25 0.45 -0.06 1.25 8.25 -0.46 -1.83 115.22 118.57 1sxe n HIS 193 Ca 0.02 0.14 -0.21 0.00 -0.26 0.00 0.00 57.72 57.40 1sxe n HIS 193 Cb 0.27 -0.73 -0.13 0.00 1.12 0.00 0.00 29.99 30.53 1sxe n HIS 193 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1sxe n TYR 194 N -1.87 0.76 -0.35 4.41 9.36 -0.50 -3.54 117.16 125.43 1sxe n TYR 194 Ca 0.06 0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.47 1sxe n TYR 194 Cb 0.35 -1.09 0.14 0.00 -0.63 0.00 0.00 39.34 38.10 1sxe n TYR 194 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1sxe h LEU 195 N -0.22 0.99 0.00 2.98 3.38 -0.93 -1.81 115.31 119.71 1sxe h LEU 195 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1sxe h LEU 195 Cb 1.85 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1sxe h LEU 195 CO -0.06 0.66 0.00 -1.14 0.09 0.00 0.00 178.44 178.00 1sxe n ARG 196 N -4.51 0.56 0.21 1.13 0.63 -0.76 -2.10 116.66 111.82 1sxe n ARG 196 Ca 0.13 0.03 0.05 0.00 -0.92 0.00 0.00 57.85 57.14 1sxe n ARG 196 Cb 0.13 -1.50 0.46 0.00 0.45 0.00 0.00 32.46 32.00 1sxe n ARG 196 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1sxe h GLU 197 N 0.00 0.00 -5.76 -0.14 4.81 -1.37 -3.40 114.58 108.72 1sxe h GLU 197 Ca 0.00 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.57 1sxe h GLU 197 Cb 0.08 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.38 1sxe h GLU 197 CO 0.00 0.25 -0.51 0.95 -0.73 0.00 0.00 179.01 178.97 1sxe s THR 198 N -4.42 5.22 0.33 0.32 -4.23 -0.89 -5.12 115.64 106.85 1sxe s THR 198 Ca -0.03 0.01 0.07 0.00 -1.18 0.00 0.00 61.69 60.55 1sxe s THR 198 Cb 0.15 -3.31 -0.01 0.00 1.34 0.00 0.00 72.50 70.67 1sxe s THR 198 CO 0.70 0.54 0.45 -2.16 -0.54 0.00 0.00 174.62 173.61 1sxe s PRO 199 N -1.24 3.12 -0.49 3.99 0.04 -1.26 -3.62 135.00 135.54 1sxe s PRO 199 Ca 0.18 -1.01 -0.26 0.00 0.04 0.00 0.00 61.00 59.94 1sxe s PRO 199 Cb -0.12 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 31.64 1sxe s PRO 199 CO 0.07 0.09 0.99 -1.17 0.04 0.00 0.00 177.00 177.02 1sxe s LEU 200 N -4.15 3.90 0.00 -3.56 1.98 -1.26 -4.50 118.68 111.09 1sxe s LEU 200 Ca 0.44 0.12 0.31 0.00 -2.89 0.00 0.00 54.13 52.11 1sxe s LEU 200 Cb -0.09 -3.21 1.86 0.00 0.66 0.00 0.00 46.19 45.41 1sxe s LEU 200 CO 0.31 -1.15 2.19 -2.65 -1.89 0.00 0.00 176.35 173.15