#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxe n SER 106 N 0.00 -7.53 -0.01 1.61 2.88 -1.26 -4.86 113.62 104.45 1sxe n SER 106 Ca 0.00 0.58 0.04 0.00 -1.33 0.00 0.00 58.87 58.16 1sxe n SER 106 Cb 0.00 -5.07 0.23 0.00 -0.75 0.00 0.00 64.21 58.62 1sxe n SER 106 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1sxe n HIS 107 N -0.22 0.01 -0.69 0.66 -0.00 -1.26 -4.96 115.22 108.76 1sxe n HIS 107 Ca 0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1sxe n HIS 107 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.37 1sxe n HIS 107 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1sxe n MET 108 N -0.60 -1.98 -0.03 -0.41 2.00 -1.26 -4.95 117.12 109.89 1sxe n MET 108 Ca 0.06 1.48 0.02 0.00 0.00 0.00 0.00 57.70 59.26 1sxe n MET 108 Cb 0.03 -1.67 -0.11 0.00 0.00 0.00 0.00 33.22 31.47 1sxe n MET 108 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1sxe n GLU 109 N -1.00 0.97 -1.99 0.03 4.71 -1.26 -4.75 120.64 117.36 1sxe n GLU 109 Ca 0.00 -0.08 -0.42 0.00 -0.01 0.00 0.00 57.16 56.65 1sxe n GLU 109 Cb 0.01 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 1sxe n GLU 109 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1sxe n GLU 110 N -2.18 3.15 -1.12 3.49 0.00 -1.26 -4.75 120.64 117.97 1sxe n GLU 110 Ca -0.10 -2.97 -0.22 0.00 0.00 0.00 0.00 57.16 53.87 1sxe n GLU 110 Cb 0.58 -3.16 0.02 0.00 0.00 0.00 0.00 31.44 28.88 1sxe n GLU 110 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1sxe n LYS 111 N 5.32 2.08 0.00 3.44 4.81 -1.26 -4.18 118.16 128.37 1sxe n LYS 111 Ca 0.47 -2.01 0.12 0.00 -0.87 0.00 0.00 58.31 56.02 1sxe n LYS 111 Cb 0.38 -1.85 0.23 0.00 0.02 0.00 0.00 35.03 33.82 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 0.33 0.00 -2.99 5.64 8.25 -1.26 -4.91 115.22 120.28 1sxe n HIS 112 Ca 0.39 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.45 1sxe n HIS 112 Cb 0.57 -0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.59 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 -2.36 4.48 0.28 -0.41 -1.94 -1.26 -4.99 119.30 113.10 1sxe s MET 113 Ca 0.25 1.04 -0.29 0.00 -1.71 0.00 0.00 55.69 54.98 1sxe s MET 113 Cb 0.19 -3.37 -0.10 0.00 2.01 0.00 0.00 34.83 33.56 1sxe s MET 113 CO 0.48 0.26 1.20 -2.14 -0.01 0.00 0.00 175.02 174.81 1sxe s PRO 114 N 0.05 4.50 1.14 2.03 0.02 -1.26 -5.04 135.00 136.45 1sxe s PRO 114 Ca 0.38 1.98 -0.14 0.00 0.02 0.00 0.00 61.00 63.24 1sxe s PRO 114 Cb -0.20 -3.15 0.27 0.00 0.02 0.00 0.00 34.50 31.43 1sxe s PRO 114 CO 0.22 0.00 1.04 -1.25 -0.33 0.00 0.00 177.00 176.69 1sxe s PRO 115 N -1.33 -0.75 -0.45 5.54 0.04 -1.26 -4.69 135.00 132.11 1sxe s PRO 115 Ca 0.48 0.59 -0.14 0.00 0.04 0.00 0.00 61.00 61.97 1sxe s PRO 115 Cb -0.35 -1.59 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 1sxe s PRO 115 CO 0.45 -3.54 1.20 -2.30 0.04 0.00 0.00 177.00 172.85 1sxe n PRO 116 N -4.75 0.00 -0.07 0.56 -0.02 -1.26 -4.79 135.00 124.66 1sxe n PRO 116 Ca 0.05 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.38 1sxe n PRO 116 Cb 0.56 -0.67 -0.13 0.00 -0.02 0.00 0.00 33.50 33.24 1sxe n PRO 116 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1sxe h ASN 117 N 5.35 0.00 -3.31 2.55 -0.00 -1.96 -3.47 115.58 114.75 1sxe h ASN 117 Ca -0.02 -0.93 -0.65 0.00 -0.00 0.00 0.00 56.30 54.70 1sxe h ASN 117 Cb 0.59 0.00 -0.15 0.00 -0.00 0.00 0.00 38.32 38.76 1sxe h ASN 117 CO 0.62 1.06 -0.73 -0.04 -0.00 0.00 0.00 177.43 178.34 1sxe s MET 118 N -2.23 2.12 0.64 6.67 -1.94 -1.26 -5.01 119.30 118.30 1sxe s MET 118 Ca -0.20 -1.12 0.39 0.00 -1.71 0.00 0.00 55.69 53.06 1sxe s MET 118 Cb -0.02 -2.26 2.21 0.00 2.01 0.00 0.00 34.83 36.77 1sxe s MET 118 CO 0.67 0.48 2.32 1.15 -0.01 0.00 0.00 175.02 179.63 1sxe h THR 119 N 3.01 0.17 -2.33 2.05 2.02 -1.92 -3.41 112.91 112.50 1sxe h THR 119 Ca -0.48 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 1sxe h THR 119 Cb 1.18 0.98 -0.24 0.00 -1.74 0.00 0.00 68.15 68.34 1sxe h THR 119 CO 0.53 0.00 -0.15 -0.89 0.37 0.00 0.00 175.52 175.38 1sxe s THR 120 N -4.31 -0.06 0.68 3.16 2.01 -1.26 -4.95 115.64 110.91 1sxe s THR 120 Ca -0.05 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1sxe s THR 120 Cb 0.14 -0.80 0.10 0.00 0.01 0.00 0.00 72.50 71.94 1sxe s THR 120 CO 0.45 0.02 0.95 0.54 -0.69 0.00 0.00 174.62 175.89 1sxe s ASN 121 N 1.59 4.61 0.00 3.53 4.22 -1.26 -3.08 114.94 124.55 1sxe s ASN 121 Ca -0.09 -0.15 0.00 0.00 -2.14 0.00 0.00 52.86 50.47 1sxe s ASN 121 Cb -0.07 -0.38 0.00 0.00 1.28 0.00 0.00 41.25 42.08 1sxe s ASN 121 CO -0.16 -1.67 0.00 -1.84 -2.04 0.00 0.00 177.10 171.39 1sxe n GLU 122 N -2.74 0.00 0.00 3.55 -0.00 0.21 -4.05 120.64 117.61 1sxe n GLU 122 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.28 1sxe n GLU 122 Cb 0.60 -0.37 0.00 0.00 -0.00 0.00 0.00 31.44 31.67 1sxe n GLU 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1sxe n ARG 123 N 0.00 0.00 0.00 3.44 5.12 -1.26 -4.87 116.66 119.08 1sxe n ARG 123 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1sxe n ARG 123 Cb 0.00 -0.30 0.00 0.00 -1.16 0.00 0.00 32.46 31.00 1sxe n ARG 123 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1sxe n ARG 124 N -1.53 0.86 -4.61 5.56 -4.01 -1.26 -4.99 116.66 106.68 1sxe n ARG 124 Ca 0.00 0.00 -0.32 0.00 -1.04 0.00 0.00 57.85 56.49 1sxe n ARG 124 Cb 0.00 -0.94 -0.12 0.00 -3.04 0.00 0.00 32.46 28.36 1sxe n ARG 124 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1sxe s VAL 125 N -1.77 3.32 -0.69 8.89 1.01 -1.26 -5.01 120.40 124.89 1sxe s VAL 125 Ca 0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 1sxe s VAL 125 Cb 0.00 -2.40 -0.13 0.00 0.00 0.00 0.00 36.38 33.85 1sxe s VAL 125 CO 0.00 0.44 1.89 -0.38 0.00 0.00 0.00 175.10 177.04 1sxe n ILE 126 N 1.76 1.72 -3.79 2.22 -0.00 -1.26 -4.07 119.36 115.93 1sxe n ILE 126 Ca -0.16 -1.29 -0.17 0.00 -0.00 0.00 0.00 62.75 61.13 1sxe n ILE 126 Cb 0.52 -2.17 -0.16 0.00 -0.00 0.00 0.00 39.64 37.83 1sxe n ILE 126 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 1sxe s VAL 127 N 4.67 0.01 0.45 1.39 -7.23 -1.26 -4.98 120.40 113.46 1sxe s VAL 127 Ca 0.49 0.22 -0.23 0.00 -1.81 0.00 0.00 61.98 60.64 1sxe s VAL 127 Cb 0.12 -0.16 -0.09 0.00 0.56 0.00 0.00 36.38 36.81 1sxe s VAL 127 CO 0.08 0.13 1.02 -0.81 -0.31 0.00 0.00 175.10 175.21 1sxe n PRO 128 N 4.42 1.32 -0.04 4.82 -0.04 -1.26 0.66 135.00 144.87 1sxe n PRO 128 Ca -0.22 0.48 0.25 0.00 -0.04 0.00 0.00 63.50 63.96 1sxe n PRO 128 Cb 0.50 -2.09 0.69 0.00 -0.04 0.00 0.00 33.50 32.56 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 1.40 2.47 -2.48 0.55 0.00 -1.68 -3.32 119.26 116.20 1sxe h ALA 129 Ca -0.45 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 53.78 1sxe h ALA 129 Cb 1.34 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 19.02 1sxe h ALA 129 CO 0.56 -1.01 -0.11 0.34 0.00 0.00 0.00 179.25 179.03 1sxe s ASP 130 N -4.94 6.28 0.00 0.00 -1.08 -1.25 -2.93 116.67 112.75 1sxe s ASP 130 Ca -0.04 -0.11 0.00 0.00 -0.52 0.00 0.00 52.55 51.88 1sxe s ASP 130 Cb 0.17 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 1sxe s ASP 130 CO 0.58 -0.45 0.47 -2.65 0.52 0.00 0.00 175.17 173.64 1sxe n PRO 131 N 5.65 0.56 -0.11 4.34 -0.02 -1.25 -2.88 135.00 141.29 1sxe n PRO 131 Ca -0.06 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.29 1sxe n PRO 131 Cb 0.49 -1.24 -0.14 0.00 -0.02 0.00 0.00 33.50 32.59 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 0.57 1.40 -0.37 3.45 -2.24 -1.26 -4.09 114.28 111.74 1sxe n THR 132 Ca 0.00 -0.72 0.10 0.00 -2.27 0.00 0.00 64.05 61.16 1sxe n THR 132 Cb 0.24 -0.88 0.29 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.96 3.82 -4.68 3.22 4.77 -1.14 0.41 117.00 120.44 1sxe n LEU 133 Ca -0.38 -2.08 -0.45 0.00 -0.03 0.00 0.00 56.01 53.07 1sxe n LEU 133 Cb 1.07 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1sxe n LEU 133 CO 0.35 0.90 1.33 0.79 -1.33 0.00 0.00 177.39 179.43 1sxe n TRP 134 N 1.27 2.44 -1.32 -1.77 8.01 -1.26 -4.81 117.44 120.00 1sxe n TRP 134 Ca 0.22 0.10 -0.31 0.00 -1.31 0.00 0.00 57.50 56.20 1sxe n TRP 134 Cb 0.62 -2.62 0.09 0.00 -2.01 0.00 0.00 31.31 27.38 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 1.82 4.61 0.19 -0.99 0.15 -1.26 0.76 113.70 118.99 1sxe s SER 135 Ca 0.81 1.76 -0.03 0.00 0.70 0.00 0.00 55.95 59.19 1sxe s SER 135 Cb -0.61 -2.49 0.37 0.00 -1.71 0.00 0.00 66.02 61.57 1sxe s SER 135 CO 0.39 -1.96 1.03 0.35 1.20 0.00 0.00 173.24 174.25 1sxe n THR 136 N -3.47 -0.28 0.08 6.45 -2.24 -1.26 -0.15 114.28 113.42 1sxe n THR 136 Ca 0.09 1.49 -0.16 0.00 -2.27 0.00 0.00 64.05 63.20 1sxe n THR 136 Cb 0.53 -2.10 -0.14 0.00 -2.10 0.00 0.00 70.33 66.52 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 0.41 0.52 3.42 3.58 -1.85 -3.14 116.42 119.37 1sxe h ASP 137 Ca 0.34 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1sxe h ASP 137 Cb 0.59 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1sxe h ASP 137 CO -0.66 1.41 0.00 1.41 -2.88 0.00 0.00 179.24 178.51 1sxe n HIS 138 N -3.49 0.68 0.04 0.28 8.25 0.79 0.03 115.22 121.81 1sxe n HIS 138 Ca -0.13 0.29 -0.22 0.00 -0.26 0.00 0.00 57.72 57.40 1sxe n HIS 138 Cb 1.04 -0.96 -0.14 0.00 1.12 0.00 0.00 29.99 31.04 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 0.82 0.00 1.59 2.07 -0.80 -3.08 116.25 116.84 1sxe h VAL 139 Ca 0.00 -2.44 -0.06 0.00 0.82 0.00 0.00 66.70 65.02 1sxe h VAL 139 Cb 0.26 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1sxe h VAL 139 CO 0.00 0.87 -0.27 -0.09 0.02 0.00 0.00 177.57 178.10 1sxe h ARG 140 N 0.07 0.00 0.46 1.57 1.12 -1.35 0.17 114.38 116.42 1sxe h ARG 140 Ca -0.37 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.47 1sxe h ARG 140 Cb 2.06 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 32.02 1sxe h ARG 140 CO 0.14 0.27 -0.22 0.37 -3.11 0.00 0.00 179.97 177.42 1sxe h GLN 141 N 0.00 -0.60 0.30 0.20 4.15 -0.40 0.16 115.11 118.91 1sxe h GLN 141 Ca -0.00 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1sxe h GLN 141 Cb 0.53 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1sxe h GLN 141 CO 0.04 -0.40 -0.22 2.35 -1.93 0.00 0.00 178.83 178.66 1sxe h TRP 142 N -0.70 -0.58 -0.92 3.99 7.01 -1.47 0.36 115.95 123.64 1sxe h TRP 142 Ca -0.06 -0.00 0.26 0.00 2.11 0.00 0.00 58.89 61.20 1sxe h TRP 142 Cb 0.48 0.21 -0.14 0.00 -2.10 0.00 0.00 29.16 27.61 1sxe h TRP 142 CO 0.09 -0.34 0.36 1.25 -2.79 0.00 0.00 178.44 177.01 1sxe h LEU 143 N -0.52 0.19 0.30 0.65 5.85 -0.69 1.70 115.31 122.79 1sxe h LEU 143 Ca -0.02 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1sxe h LEU 143 Cb 0.45 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1sxe h LEU 143 CO -0.00 -0.14 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.49 1sxe h GLU 144 N 0.26 -0.39 0.00 1.25 5.08 -0.43 -2.77 114.58 117.58 1sxe h GLU 144 Ca 0.61 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 59.00 1sxe h GLU 144 Cb 1.29 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1sxe h GLU 144 CO -0.63 -0.05 0.08 1.87 -1.00 0.00 0.00 179.01 179.28 1sxe n TRP 145 N -5.09 0.00 -0.11 4.33 -0.00 0.13 -1.53 117.44 115.17 1sxe n TRP 145 Ca -0.09 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.18 1sxe n TRP 145 Cb 0.27 -0.38 -0.11 0.00 -0.00 0.00 0.00 31.31 31.08 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 0.83 -0.16 5.87 0.00 0.56 -1.26 120.51 124.97 1sxe n ALA 146 Ca 0.00 -0.56 0.17 0.00 0.00 0.00 0.00 53.44 53.05 1sxe n ALA 146 Cb 0.08 -0.49 0.53 0.00 0.00 0.00 0.00 19.45 19.57 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 0.77 -0.12 0.00 2.07 -1.15 0.16 116.25 116.97 1sxe h VAL 147 Ca -0.39 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 1sxe h VAL 147 Cb 1.34 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1sxe h VAL 147 CO -0.24 0.07 -0.10 0.11 0.02 0.00 0.00 177.57 177.43 1sxe h LYS 148 N 0.36 0.28 0.02 1.57 1.57 -1.27 -2.68 116.57 116.42 1sxe h LYS 148 Ca 0.37 -0.14 -0.24 0.00 -1.87 0.00 0.00 60.65 58.77 1sxe h LYS 148 Cb 0.92 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 1sxe h LYS 148 CO -0.11 0.67 -1.20 1.49 -0.57 0.00 0.00 179.45 179.73 1sxe h GLU 149 N -0.09 0.03 -0.02 3.15 4.81 -0.66 -3.37 114.58 118.43 1sxe h GLU 149 Ca 0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1sxe h GLU 149 Cb 0.60 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1sxe h GLU 149 CO 0.03 0.91 -0.23 0.66 -0.73 0.00 0.00 179.01 179.65 1sxe n TYR 150 N -3.30 0.00 -2.75 0.92 4.01 0.50 -4.99 117.16 111.55 1sxe n TYR 150 Ca -0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.59 1sxe n TYR 150 Cb 0.98 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 40.06 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 1.13 -0.27 3.61 2.72 0.00 -1.02 -4.99 105.19 106.38 1sxe n GLY 151 Ca 0.08 0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.65 4.05 -0.13 0.99 1.43 -1.18 -4.98 118.68 114.22 1sxe s LEU 152 Ca 0.17 0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.35 1sxe s LEU 152 Cb -0.02 -2.37 -0.15 0.00 0.03 0.00 0.00 46.19 43.68 1sxe s LEU 152 CO 0.47 -0.13 0.40 1.55 0.23 0.00 0.00 176.35 178.87 1sxe h PRO 153 N 8.06 0.00 -3.64 1.29 0.14 -1.94 -3.40 132.00 132.51 1sxe h PRO 153 Ca -0.33 0.00 -0.75 0.00 0.14 0.00 0.00 66.00 65.06 1sxe h PRO 153 Cb 1.17 0.00 -0.13 0.00 0.14 0.00 0.00 31.00 32.18 1sxe h PRO 153 CO 0.64 0.61 2.29 -0.25 0.14 0.00 0.00 178.00 181.44 1sxe n ASP 154 N -4.65 4.79 -3.74 1.44 8.00 -1.26 -4.89 116.55 116.24 1sxe n ASP 154 Ca -0.09 -3.04 -0.19 0.00 0.71 0.00 0.00 54.79 52.18 1sxe n ASP 154 Cb 0.33 -1.52 -0.17 0.00 -0.02 0.00 0.00 41.12 39.74 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 1.09 0.03 -0.24 2.53 1.01 -1.26 -4.32 120.40 119.24 1sxe s VAL 155 Ca 0.41 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 1sxe s VAL 155 Cb 0.11 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.28 1sxe s VAL 155 CO -0.02 0.17 -0.04 0.21 0.00 0.00 0.00 175.10 175.42 1sxe s ASN 156 N 1.68 4.38 -0.05 3.32 3.04 -1.26 -5.02 114.94 121.04 1sxe s ASN 156 Ca -0.01 -0.67 -0.08 0.00 0.04 0.00 0.00 52.86 52.14 1sxe s ASN 156 Cb -0.13 -1.72 -0.29 0.00 -1.54 0.00 0.00 41.25 37.57 1sxe s ASN 156 CO -0.03 -0.09 0.67 0.40 -3.04 0.00 0.00 177.10 175.01 1sxe h ILE 157 N 5.93 0.94 0.00 -5.21 1.08 -1.96 -3.33 117.51 114.96 1sxe h ILE 157 Ca -0.36 -2.55 0.00 0.00 -0.39 0.00 0.00 64.86 61.56 1sxe h ILE 157 Cb 1.13 2.73 0.00 0.00 -3.07 0.00 0.00 36.82 37.61 1sxe h ILE 157 CO 0.59 0.85 0.00 0.00 -0.69 0.00 0.00 178.15 178.90 1sxe n LEU 158 N -3.54 0.00 0.01 1.44 -0.00 -1.26 -0.86 117.00 112.79 1sxe n LEU 158 Ca -0.24 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 55.86 1sxe n LEU 158 Cb 1.07 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 44.35 1sxe n LEU 158 CO 0.50 0.00 -0.61 0.18 -0.00 0.00 0.00 177.39 177.46 1sxe n LEU 159 N -0.56 0.21 -0.00 1.47 4.32 -1.25 -4.16 117.00 117.02 1sxe n LEU 159 Ca 0.00 0.08 0.10 0.00 -0.02 0.00 0.00 56.01 56.17 1sxe n LEU 159 Cb 0.00 0.03 -0.12 0.00 -1.62 0.00 0.00 43.42 41.71 1sxe n LEU 159 CO 0.00 0.01 -0.14 0.49 -1.22 0.00 0.00 177.39 176.53 1sxe n PHE 160 N -2.41 0.00 -0.53 -1.77 3.01 -0.04 -4.57 117.46 111.15 1sxe n PHE 160 Ca -0.06 0.00 0.44 0.00 1.01 0.00 0.00 57.45 58.84 1sxe n PHE 160 Cb 0.62 -0.08 0.75 0.00 -0.01 0.00 0.00 39.48 40.76 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 0.03 -0.59 -1.08 4.20 -1.72 0.63 115.11 116.58 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 0.57 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1sxe h GLN 161 CO 0.00 0.02 0.00 0.09 -0.67 0.00 0.00 178.83 178.27 1sxe n ASN 162 N -4.21 3.62 -4.66 1.46 3.02 -1.26 -4.47 115.26 108.76 1sxe n ASN 162 Ca 0.37 -2.02 -0.35 0.00 -0.03 0.00 0.00 54.58 52.56 1sxe n ASN 162 Cb 1.64 -0.40 -0.09 0.00 -0.61 0.00 0.00 39.78 40.32 1sxe n ASN 162 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sxe s ILE 163 N -1.03 5.02 0.75 2.41 1.01 0.22 -4.96 121.20 124.62 1sxe s ILE 163 Ca 0.40 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 61.06 1sxe s ILE 163 Cb 0.21 -3.29 0.12 0.00 0.01 0.00 0.00 42.46 39.51 1sxe s ILE 163 CO 0.27 0.44 1.04 -1.81 0.00 0.00 0.00 174.94 174.87 1sxe s ASP 164 N 0.50 4.31 0.58 3.58 1.11 -1.26 -4.14 116.67 121.34 1sxe s ASP 164 Ca 0.05 -0.04 0.30 0.00 0.18 0.00 0.00 52.55 53.04 1sxe s ASP 164 Cb -0.12 -0.39 1.76 0.00 1.07 0.00 0.00 42.92 45.24 1sxe s ASP 164 CO 0.00 -1.90 2.21 1.23 1.18 0.00 0.00 175.17 177.90 1sxe h GLY 165 N -0.69 0.00 2.00 0.21 0.00 0.30 -1.52 103.07 103.37 1sxe h GLY 165 Ca -0.40 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 1sxe h GLY 165 CO 0.45 0.00 -0.37 0.07 0.00 0.00 0.00 176.54 176.69 1sxe h LYS 166 N 0.00 0.00 0.00 4.80 2.10 -0.23 0.28 116.57 123.53 1sxe h LYS 166 Ca -0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 1sxe h LYS 166 Cb 0.09 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.40 1sxe h LYS 166 CO 0.00 0.37 -1.47 0.39 -2.00 0.00 0.00 179.45 176.75 1sxe n GLU 167 N -3.79 0.63 -0.02 0.07 1.02 -0.63 -3.84 120.64 114.08 1sxe n GLU 167 Ca -0.01 0.11 -0.10 0.00 -0.02 0.00 0.00 57.16 57.13 1sxe n GLU 167 Cb 0.45 -1.75 -0.14 0.00 -0.02 0.00 0.00 31.44 29.98 1sxe n GLU 167 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1sxe n LEU 168 N -2.72 1.11 -0.01 -4.62 7.94 -0.85 -3.64 117.00 114.22 1sxe n LEU 168 Ca -0.08 0.38 0.14 0.00 -1.11 0.00 0.00 56.01 55.34 1sxe n LEU 168 Cb 0.74 -0.01 0.66 0.00 0.53 0.00 0.00 43.42 45.34 1sxe n LEU 168 CO 0.43 0.46 0.95 0.00 -1.11 0.00 0.00 177.39 178.12 1sxe n LYS 170 N -1.37 2.93 -3.48 0.00 5.02 -1.25 -4.96 118.16 115.05 1sxe n LYS 170 Ca 0.11 -3.04 -0.36 0.00 -2.02 0.00 0.00 58.31 53.00 1sxe n LYS 170 Cb 0.29 -2.00 -0.06 0.00 -0.02 0.00 0.00 35.03 33.24 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 -3.03 3.89 0.50 1.97 -1.94 -0.95 -5.02 119.30 114.72 1sxe s MET 171 Ca 0.49 0.36 0.01 0.00 -1.71 0.00 0.00 55.69 54.84 1sxe s MET 171 Cb 0.40 -3.07 0.02 0.00 2.01 0.00 0.00 34.83 34.19 1sxe s MET 171 CO 0.08 0.59 0.72 0.95 -0.01 0.00 0.00 175.02 177.36 1sxe s THR 172 N -1.29 3.30 0.65 2.05 -4.23 -1.26 -4.95 115.64 109.91 1sxe s THR 172 Ca 0.31 -0.60 0.34 0.00 -1.18 0.00 0.00 61.69 60.57 1sxe s THR 172 Cb -0.15 -3.22 0.36 0.00 1.34 0.00 0.00 72.50 70.82 1sxe s THR 172 CO 0.17 -0.16 2.09 0.07 -0.54 0.00 0.00 174.62 176.25 1sxe h LYS 173 N 0.24 0.00 0.00 3.99 5.09 -1.99 0.26 116.57 124.16 1sxe h LYS 173 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.30 1sxe h LYS 173 Cb 1.28 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.61 1sxe h LYS 173 CO 0.54 0.00 -0.78 0.22 -2.09 0.00 0.00 179.45 177.35 1sxe h ASP 174 N 0.00 0.00 0.28 7.07 1.82 -1.98 -3.11 116.42 120.50 1sxe h ASP 174 Ca 0.02 -0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.49 1sxe h ASP 174 Cb 0.45 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1sxe h ASP 174 CO -0.00 0.00 -0.69 0.44 -1.61 0.00 0.00 179.24 177.38 1sxe h ASP 175 N 0.00 0.43 1.12 2.28 3.32 -1.31 -2.18 116.42 120.09 1sxe h ASP 175 Ca 0.00 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.70 1sxe h ASP 175 Cb 1.00 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1sxe h ASP 175 CO 0.00 1.00 -0.36 -0.26 -1.72 0.00 0.00 179.24 177.90 1sxe h PHE 176 N 0.26 0.00 0.00 4.55 -1.00 -1.59 -3.15 116.94 116.01 1sxe h PHE 176 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1sxe h PHE 176 Cb 1.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.81 1sxe h PHE 176 CO 0.04 0.36 0.00 1.04 -1.61 0.00 0.00 178.31 178.14 1sxe n GLN 177 N -3.37 0.43 0.00 1.51 6.02 -0.83 0.16 117.38 121.29 1sxe n GLN 177 Ca 0.01 0.05 0.10 0.00 -0.01 0.00 0.00 57.00 57.14 1sxe n GLN 177 Cb 0.56 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 30.39 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 1.66 0.00 -1.09 1.85 -1.15 -4.03 116.66 112.67 1sxe n ARG 178 Ca 0.13 -1.60 0.00 0.00 -1.00 0.00 0.00 57.85 55.38 1sxe n ARG 178 Cb 0.17 -1.37 0.00 0.00 -1.05 0.00 0.00 32.46 30.21 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 1.01 0.07 -2.97 2.89 4.77 -0.91 -4.98 117.00 116.87 1sxe n LEU 179 Ca 0.11 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1sxe n LEU 179 Cb 0.47 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1sxe n LEU 179 CO 0.13 0.01 -0.02 -0.89 -1.33 0.00 0.00 177.39 175.29 1sxe s THR 180 N -1.49 -0.57 0.00 -5.08 2.01 0.41 -4.12 115.64 106.80 1sxe s THR 180 Ca 0.00 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.50 1sxe s THR 180 Cb 0.00 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1sxe s THR 180 CO 0.00 -0.40 0.00 -0.81 -0.69 0.00 0.00 174.62 172.72 1sxe n PRO 181 N 2.95 2.51 0.00 4.92 -0.04 -1.22 -3.13 135.00 140.99 1sxe n PRO 181 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1sxe n PRO 181 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1sxe n PRO 181 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1sxe n SER 182 N 0.00 0.00 0.00 3.54 2.88 -1.26 -2.57 113.62 116.21 1sxe n SER 182 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1sxe n SER 182 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1sxe n SER 182 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sxe n TYR 183 N 0.00 0.00 0.02 0.66 0.18 -1.26 -4.77 117.16 111.99 1sxe n TYR 183 Ca 0.00 -0.08 0.03 0.00 1.88 0.00 0.00 57.90 59.73 1sxe n TYR 183 Cb 0.00 -0.01 -0.10 0.00 -0.38 0.00 0.00 39.34 38.85 1sxe n TYR 183 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1sxe n ASN 184 N -0.08 0.55 -0.01 9.48 3.02 -1.06 -3.83 115.26 123.32 1sxe n ASN 184 Ca 0.00 0.23 -0.09 0.00 -0.03 0.00 0.00 54.58 54.70 1sxe n ASN 184 Cb 0.38 0.72 -0.03 0.00 -0.61 0.00 0.00 39.78 40.24 1sxe n ASN 184 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxe h ALA 185 N 1.58 -0.08 0.00 5.41 0.00 -1.69 -0.56 119.26 123.92 1sxe h ALA 185 Ca -0.16 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sxe h ALA 185 Cb 1.46 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1sxe h ALA 185 CO 0.03 -0.62 0.00 -3.47 0.00 0.00 0.00 179.25 175.19 1sxe n ASP 186 N -5.32 0.00 -0.03 0.00 2.03 -1.26 -1.50 116.55 110.47 1sxe n ASP 186 Ca -0.02 0.36 -0.02 0.00 0.52 0.00 0.00 54.79 55.63 1sxe n ASP 186 Cb 0.24 -0.41 -0.01 0.00 -0.72 0.00 0.00 41.12 40.22 1sxe n ASP 186 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1sxe h ILE 187 N 0.00 0.00 -0.34 5.18 1.08 -1.25 -3.30 117.51 118.89 1sxe h ILE 187 Ca 0.00 -0.40 0.07 0.00 -0.39 0.00 0.00 64.86 64.13 1sxe h ILE 187 Cb 0.13 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.82 1sxe h ILE 187 CO 0.00 0.00 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.31 1sxe h LEU 188 N -0.40 -0.30 0.23 1.44 3.38 -1.24 -1.72 115.31 116.70 1sxe h LEU 188 Ca 0.00 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1sxe h LEU 188 Cb 0.18 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1sxe h LEU 188 CO 0.00 -0.11 -0.11 0.25 0.09 0.00 0.00 178.44 178.56 1sxe h LEU 189 N 0.00 -0.27 -1.28 1.67 5.85 -1.50 -0.46 115.31 119.33 1sxe h LEU 189 Ca 0.16 -0.18 0.16 0.00 0.84 0.00 0.00 57.88 58.86 1sxe h LEU 189 Cb 0.24 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 1sxe h LEU 189 CO -0.34 0.04 0.58 -1.28 -0.34 0.00 0.00 178.44 177.10 1sxe h SER 190 N -0.58 0.64 -0.00 1.25 0.87 -1.61 0.16 113.55 114.28 1sxe h SER 190 Ca -0.03 0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.44 1sxe h SER 190 Cb 0.43 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1sxe h SER 190 CO 0.05 0.30 -0.44 0.45 -0.53 0.00 0.00 176.83 176.67 1sxe h HIS 191 N 0.66 0.64 -0.23 2.24 3.86 -1.00 -2.61 115.15 118.72 1sxe h HIS 191 Ca 0.47 -0.19 -0.07 0.00 -1.16 0.00 0.00 60.37 59.41 1sxe h HIS 191 Cb 0.80 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 1sxe h HIS 191 CO -0.00 0.88 -0.19 1.25 0.86 0.00 0.00 177.93 180.73 1sxe h LEU 192 N 0.43 0.39 -0.28 2.43 5.85 0.94 0.78 115.31 125.85 1sxe h LEU 192 Ca 0.03 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1sxe h LEU 192 Cb 0.94 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1sxe h LEU 192 CO 0.08 0.59 0.00 1.41 -0.34 0.00 0.00 178.44 180.19 1sxe n HIS 193 N -4.18 0.58 -0.12 1.25 8.25 -0.14 -2.62 115.22 118.25 1sxe n HIS 193 Ca -0.00 0.20 -0.25 0.00 -0.26 0.00 0.00 57.72 57.41 1sxe n HIS 193 Cb 0.34 -0.83 -0.11 0.00 1.12 0.00 0.00 29.99 30.52 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 -2.01 0.40 -0.35 4.41 9.36 -0.24 -3.97 117.16 124.76 1sxe n TYR 194 Ca 0.04 0.15 0.04 0.00 3.32 0.00 0.00 57.90 61.45 1sxe n TYR 194 Cb 0.29 -1.04 0.19 0.00 -0.63 0.00 0.00 39.34 38.15 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 -0.80 0.91 0.00 2.98 3.38 -0.99 -1.31 115.31 119.48 1sxe h LEU 195 Ca -0.56 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1sxe h LEU 195 Cb 1.59 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1sxe h LEU 195 CO -0.28 0.53 0.00 -1.14 0.09 0.00 0.00 178.44 177.64 1sxe n ARG 196 N -4.61 0.61 0.21 1.13 0.63 -1.08 -3.16 116.66 110.40 1sxe n ARG 196 Ca 0.16 0.01 0.17 0.00 -0.92 0.00 0.00 57.85 57.27 1sxe n ARG 196 Cb 0.27 -1.50 0.83 0.00 0.45 0.00 0.00 32.46 32.51 1sxe n ARG 196 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1sxe h GLU 197 N 0.00 0.00 -4.92 -0.14 4.11 -1.36 -3.38 114.58 108.89 1sxe h GLU 197 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.88 1sxe h GLU 197 Cb 0.01 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 28.94 1sxe h GLU 197 CO 0.00 0.00 -0.83 -0.08 0.07 0.00 0.00 179.01 178.17 1sxe s THR 198 N -4.62 1.33 0.43 -1.06 -1.32 -1.19 -5.15 115.64 104.06 1sxe s THR 198 Ca -0.05 -0.62 0.06 0.00 -1.21 0.00 0.00 61.69 59.87 1sxe s THR 198 Cb 0.15 -1.18 0.01 0.00 -1.51 0.00 0.00 72.50 69.97 1sxe s THR 198 CO 0.54 0.39 0.60 -2.16 -2.21 0.00 0.00 174.62 171.78 1sxe s PRO 199 N 0.37 2.86 0.01 7.08 0.04 -1.26 -3.80 135.00 140.29 1sxe s PRO 199 Ca -0.10 -1.04 -0.02 0.00 0.04 0.00 0.00 61.00 59.88 1sxe s PRO 199 Cb -0.14 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 1sxe s PRO 199 CO 0.04 -0.28 0.18 -0.48 0.04 0.00 0.00 177.00 176.49 1sxe s LEU 200 N -4.41 4.32 0.00 -3.56 -0.00 -1.26 -4.76 118.68 109.01 1sxe s LEU 200 Ca 0.53 0.31 0.19 0.00 -0.00 0.00 0.00 54.13 55.16 1sxe s LEU 200 Cb -0.10 -2.66 1.14 0.00 -0.00 0.00 0.00 46.19 44.57 1sxe s LEU 200 CO 0.34 0.24 1.53 -2.65 -0.00 0.00 0.00 176.35 175.81