#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avo s VAL 104 N 0.00 5.24 0.52 0.00 1.01 -1.26 -5.07 120.40 120.84 1avo s VAL 104 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 1avo s VAL 104 Cb 0.00 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1avo s VAL 104 CO 0.00 0.09 0.75 0.20 0.00 0.00 0.00 175.10 176.14 1avo s ASN 105 N 1.72 5.53 0.83 3.32 0.01 -1.26 -5.08 114.94 120.01 1avo s ASN 105 Ca 0.10 0.21 -0.11 0.00 -0.71 0.00 0.00 52.86 52.35 1avo s ASN 105 Cb -0.16 -1.26 0.09 0.00 0.41 0.00 0.00 41.25 40.32 1avo s ASN 105 CO 0.11 -0.96 1.09 0.00 -1.51 0.00 0.00 177.10 175.83 1avo s ASN 107 N -3.47 6.39 0.22 0.00 3.84 -1.26 -4.87 114.94 115.79 1avo s ASN 107 Ca 0.62 0.87 -0.09 0.00 0.21 0.00 0.00 52.86 54.47 1avo s ASN 107 Cb -0.17 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.16 1avo s ASN 107 CO 0.56 -1.38 1.85 -0.33 -2.79 0.00 0.00 177.10 175.02 1avo h GLU 108 N 10.46 1.11 -0.46 0.43 5.08 -2.00 -1.85 114.58 127.35 1avo h GLU 108 Ca -0.27 -0.11 0.12 0.00 -1.00 0.00 0.00 59.36 58.10 1avo h GLU 108 Cb 1.10 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1avo h GLU 108 CO 1.08 0.80 0.33 0.87 -1.00 0.00 0.00 179.01 181.09 1avo h LYS 109 N 1.12 0.06 0.15 2.33 1.57 -2.01 -1.35 116.57 118.44 1avo h LYS 109 Ca 0.29 -0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.75 1avo h LYS 109 Cb -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1avo h LYS 109 CO -0.05 0.04 -1.57 0.82 -0.57 0.00 0.00 179.45 178.11 1avo h ILE 110 N 0.06 0.99 -0.89 1.86 2.04 -1.90 -3.21 117.51 116.46 1avo h ILE 110 Ca 0.22 -2.45 0.12 0.00 1.00 0.00 0.00 64.86 63.74 1avo h ILE 110 Cb 0.79 2.74 -0.07 0.00 -0.74 0.00 0.00 36.82 39.55 1avo h ILE 110 CO -0.01 0.78 0.57 0.58 0.00 0.00 0.00 178.15 180.07 1avo h VAL 111 N -0.10 0.91 -0.18 1.67 2.07 -0.43 0.15 116.25 120.35 1avo h VAL 111 Ca -0.32 -0.28 -0.17 0.00 0.82 0.00 0.00 66.70 66.76 1avo h VAL 111 Cb 1.92 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1avo h VAL 111 CO 0.12 0.15 -0.57 -0.37 0.02 0.00 0.00 177.57 176.91 1avo h VAL 112 N 0.81 1.32 -0.70 2.57 -1.51 -1.48 0.12 116.25 117.38 1avo h VAL 112 Ca 0.43 -1.83 -0.07 0.00 -1.23 0.00 0.00 66.70 64.00 1avo h VAL 112 Cb 0.53 1.80 -0.03 0.00 -2.13 0.00 0.00 31.29 31.46 1avo h VAL 112 CO -0.19 0.57 0.15 -0.07 -1.23 0.00 0.00 177.57 176.80 1avo h LEU 113 N 0.42 1.07 -0.92 4.19 3.38 -1.24 -2.01 115.31 120.21 1avo h LEU 113 Ca 0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1avo h LEU 113 Cb 1.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1avo h LEU 113 CO 0.11 1.03 0.18 -0.07 0.09 0.00 0.00 178.44 179.78 1avo h LEU 114 N 1.06 0.90 -1.55 1.67 3.38 -0.34 -1.42 115.31 119.02 1avo h LEU 114 Ca 0.22 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1avo h LEU 114 Cb 0.39 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1avo h LEU 114 CO 0.01 0.86 0.36 1.56 0.09 0.00 0.00 178.44 181.32 1avo h GLN 115 N 0.93 0.56 0.00 1.13 1.08 -0.24 -0.26 115.11 118.31 1avo h GLN 115 Ca 0.20 -0.03 -0.17 0.00 -1.45 0.00 0.00 58.65 57.20 1avo h GLN 115 Cb 0.30 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 1avo h GLN 115 CO -0.00 0.37 -1.04 0.00 -0.95 0.00 0.00 178.83 177.21 1avo h ARG 116 N 0.58 0.00 0.01 1.46 3.08 -0.95 -3.37 114.38 115.19 1avo h ARG 116 Ca 0.23 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 1avo h ARG 116 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1avo h ARG 116 CO -0.06 0.57 -0.15 1.25 -1.07 0.00 0.00 179.97 180.51 1avo h LEU 117 N 0.00 0.11 -0.97 3.04 5.85 -0.69 -3.34 115.31 119.32 1avo h LEU 117 Ca -0.09 -0.86 0.28 0.00 0.84 0.00 0.00 57.88 58.05 1avo h LEU 117 Cb 1.62 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 42.48 1avo h LEU 117 CO 0.08 0.95 0.50 0.11 -0.34 0.00 0.00 178.44 179.74 1avo h LYS 118 N -0.72 0.37 -0.19 1.25 1.57 -1.22 0.32 116.57 117.95 1avo h LYS 118 Ca -0.02 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1avo h LYS 118 Cb 0.99 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1avo h LYS 118 CO 0.03 0.24 -0.36 -1.35 -0.57 0.00 0.00 179.45 177.45 1avo h PRO 119 N 0.38 0.39 -0.09 3.15 0.11 -1.76 -1.92 132.00 132.27 1avo h PRO 119 Ca 0.66 -0.18 -0.09 0.00 0.11 0.00 0.00 66.00 66.51 1avo h PRO 119 Cb 1.40 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.48 1avo h PRO 119 CO -0.57 0.70 -0.34 0.93 -0.21 0.00 0.00 178.00 178.51 1avo h GLU 120 N 0.34 0.17 -0.04 1.05 4.39 -0.49 -1.01 114.58 118.99 1avo h GLU 120 Ca 0.04 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1avo h GLU 120 Cb 0.78 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1avo h GLU 120 CO 0.06 0.49 -0.06 0.82 -1.16 0.00 0.00 179.01 179.16 1avo h ILE 121 N 0.15 1.43 -0.89 3.13 2.04 -1.01 -2.27 117.51 120.08 1avo h ILE 121 Ca 0.02 -1.36 0.10 0.00 1.00 0.00 0.00 64.86 64.62 1avo h ILE 121 Cb 0.67 2.25 -0.07 0.00 -0.74 0.00 0.00 36.82 38.94 1avo h ILE 121 CO 0.05 0.37 0.58 0.50 0.00 0.00 0.00 178.15 179.64 1avo h LYS 122 N -0.41 0.85 0.00 2.37 3.64 -1.12 -2.52 116.57 119.39 1avo h LYS 122 Ca 0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1avo h LYS 122 Cb 0.63 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1avo h LYS 122 CO 0.01 0.56 -0.00 -0.44 -2.27 0.00 0.00 179.45 177.32 1avo h ASP 123 N 0.88 -0.00 -0.26 4.20 3.32 -0.96 -2.50 116.42 121.10 1avo h ASP 123 Ca 0.42 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1avo h ASP 123 Cb 0.42 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1avo h ASP 123 CO -0.18 0.19 0.14 -0.37 -1.72 0.00 0.00 179.24 177.30 1avo h VAL 124 N -0.19 1.12 -0.61 -1.35 -1.51 -1.19 -1.67 116.25 110.85 1avo h VAL 124 Ca -0.00 -0.33 0.06 0.00 -1.23 0.00 0.00 66.70 65.20 1avo h VAL 124 Cb 0.19 0.87 -0.04 0.00 -2.13 0.00 0.00 31.29 30.19 1avo h VAL 124 CO 0.00 0.12 0.40 0.40 -1.23 0.00 0.00 177.57 177.26 1avo h ILE 125 N 0.30 1.00 -0.01 7.19 1.08 -1.46 0.34 117.51 125.96 1avo h ILE 125 Ca 0.09 -0.21 -0.17 0.00 -0.39 0.00 0.00 64.86 64.19 1avo h ILE 125 Cb 0.07 0.35 0.01 0.00 -3.07 0.00 0.00 36.82 34.19 1avo h ILE 125 CO -0.01 0.11 -0.66 -0.33 -0.69 0.00 0.00 178.15 176.57 1avo h GLU 126 N 0.60 0.47 -0.39 2.37 5.08 -1.12 -2.68 114.58 118.90 1avo h GLU 126 Ca 0.26 -0.49 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 1avo h GLU 126 Cb 0.27 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1avo h GLU 126 CO -0.08 1.13 0.05 1.96 -1.00 0.00 0.00 179.01 181.08 1avo h GLN 127 N -0.00 0.66 -0.03 2.33 1.08 -0.89 -0.92 115.11 117.33 1avo h GLN 127 Ca -0.08 -0.18 0.01 0.00 -1.45 0.00 0.00 58.65 56.95 1avo h GLN 127 Cb 1.35 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.71 1avo h GLN 127 CO 0.13 0.72 0.05 1.25 -0.95 0.00 0.00 178.83 180.03 1avo h LEU 128 N 0.50 0.00 0.09 1.46 5.85 -0.40 -0.47 115.31 122.34 1avo h LEU 128 Ca 0.12 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.55 1avo h LEU 128 Cb 0.39 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1avo h LEU 128 CO 0.01 0.00 -1.43 0.78 -0.34 0.00 0.00 178.44 177.46 1avo h ASN 129 N 0.00 0.31 0.43 1.25 2.35 -0.85 -2.92 115.58 116.15 1avo h ASN 129 Ca 0.02 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.33 1avo h ASN 129 Cb 0.12 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1avo h ASN 129 CO -0.00 1.34 -0.21 -0.07 -1.65 0.00 0.00 177.43 176.84 1avo h LEU 130 N 0.05 -0.49 -0.73 1.61 4.07 -0.12 -2.07 115.31 117.64 1avo h LEU 130 Ca -0.20 -0.09 0.15 0.00 0.08 0.00 0.00 57.88 57.82 1avo h LEU 130 Cb 1.98 0.13 -0.10 0.00 1.08 0.00 0.00 40.66 43.74 1avo h LEU 130 CO 0.16 -0.17 0.20 0.58 -1.08 0.00 0.00 178.44 178.14 1avo h VAL 131 N -0.83 0.56 -0.16 1.22 2.07 -1.34 0.39 116.25 118.15 1avo h VAL 131 Ca -0.06 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1avo h VAL 131 Cb 0.55 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1avo h VAL 131 CO 0.10 0.06 0.08 0.74 0.02 0.00 0.00 177.57 178.57 1avo h THR 132 N 0.31 1.11 -0.25 2.57 2.02 -1.44 0.12 112.91 117.35 1avo h THR 132 Ca 0.41 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 67.29 1avo h THR 132 Cb 0.67 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1avo h THR 132 CO -0.47 0.10 0.14 0.74 0.37 0.00 0.00 175.52 176.40 1avo h THR 133 N 0.15 1.02 -0.42 3.16 2.02 -0.39 0.11 112.91 118.55 1avo h THR 133 Ca 0.06 -0.10 0.08 0.00 0.77 0.00 0.00 66.41 67.22 1avo h THR 133 Cb 0.09 0.70 -0.08 0.00 -1.74 0.00 0.00 68.15 67.12 1avo h THR 133 CO -0.01 0.05 -0.06 -0.25 0.37 0.00 0.00 175.52 175.62 1avo h TRP 134 N 0.30 -0.14 -0.02 3.16 7.01 0.39 -0.36 115.95 126.29 1avo h TRP 134 Ca 0.10 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.14 1avo h TRP 134 Cb 0.00 0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1avo h TRP 134 CO -0.08 -0.14 0.00 1.25 -2.79 0.00 0.00 178.44 176.68 1avo h LEU 135 N 0.04 -0.00 -0.72 0.65 5.85 -0.11 -2.45 115.31 118.57 1avo h LEU 135 Ca 0.20 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1avo h LEU 135 Cb 0.31 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1avo h LEU 135 CO -0.40 0.00 0.46 1.56 -0.34 0.00 0.00 178.44 179.72 1avo h GLN 136 N 0.01 0.88 0.00 1.25 4.20 -0.28 0.69 115.11 121.86 1avo h GLN 136 Ca 0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1avo h GLN 136 Cb 0.01 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1avo h GLN 136 CO -0.01 0.58 0.00 1.28 -0.67 0.00 0.00 178.83 180.01 1avo n LEU 137 N -4.64 0.19 0.03 1.46 4.77 -0.21 -1.00 117.00 117.61 1avo n LEU 137 Ca 0.07 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.77 1avo n LEU 137 Cb 0.07 -0.61 0.26 0.00 -2.33 0.00 0.00 43.42 40.81 1avo n LEU 137 CO 0.34 -0.64 0.48 0.00 -1.33 0.00 0.00 177.39 176.24 1avo n GLN 138 N -1.76 0.14 -2.12 3.23 3.00 0.23 -4.87 117.38 115.24 1avo n GLN 138 Ca -0.00 0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.61 1avo n GLN 138 Cb 0.02 -1.59 -0.03 0.00 0.00 0.00 0.00 30.24 28.64 1avo n GLN 138 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1avo s ILE 139 N -3.08 3.53 0.70 5.09 1.01 -0.17 -4.88 121.20 123.40 1avo s ILE 139 Ca 0.09 0.89 -0.11 0.00 0.00 0.00 0.00 60.65 61.51 1avo s ILE 139 Cb 0.16 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 39.07 1avo s ILE 139 CO 0.69 -0.02 1.08 -2.16 0.00 0.00 0.00 174.94 174.53 1avo s PRO 140 N 2.77 2.91 0.17 2.79 0.04 -1.26 -4.99 135.00 137.44 1avo s PRO 140 Ca 0.68 0.55 -0.33 0.00 0.04 0.00 0.00 61.00 61.93 1avo s PRO 140 Cb -0.34 -2.02 -0.15 0.00 0.04 0.00 0.00 34.50 32.03 1avo s PRO 140 CO 0.28 -1.01 1.27 -2.13 0.04 0.00 0.00 177.00 175.44 1avo n ARG 141 N -3.01 1.40 -2.01 4.56 0.63 -1.26 -4.80 116.66 112.17 1avo n ARG 141 Ca 0.07 0.50 -0.42 0.00 -0.92 0.00 0.00 57.85 57.07 1avo n ARG 141 Cb 0.56 -2.07 -0.03 0.00 0.45 0.00 0.00 32.46 31.38 1avo n ARG 141 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1avo s ILE 142 N 0.01 3.59 0.19 5.15 1.01 -1.26 -4.96 121.20 124.94 1avo s ILE 142 Ca 0.74 0.71 0.07 0.00 0.00 0.00 0.00 60.65 62.17 1avo s ILE 142 Cb -0.82 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1avo s ILE 142 CO 0.50 -0.08 -0.14 -1.61 0.00 0.00 0.00 174.94 173.61 1avo s GLU 143 N 4.12 1.28 0.18 2.79 2.02 -1.26 -5.08 118.70 122.75 1avo s GLU 143 Ca 0.74 -1.55 -0.10 0.00 0.02 0.00 0.00 54.97 54.08 1avo s GLU 143 Cb -0.32 -1.07 0.08 0.00 0.10 0.00 0.00 34.13 32.92 1avo s GLU 143 CO 0.29 0.18 1.69 0.22 0.02 0.00 0.00 175.26 177.67 1avo h ASP 144 N 2.67 0.96 -3.49 -0.19 3.58 -2.04 -3.46 116.42 114.45 1avo h ASP 144 Ca -0.38 -0.23 -0.44 0.00 0.42 0.00 0.00 57.03 56.39 1avo h ASP 144 Cb 1.22 -0.25 -0.14 0.00 1.72 0.00 0.00 39.33 41.87 1avo h ASP 144 CO 0.61 0.95 -0.62 -0.83 -2.88 0.00 0.00 179.24 176.46 1avo s GLY 145 N -3.36 1.93 -0.26 -0.78 0.00 -1.26 -4.91 107.32 98.68 1avo s GLY 145 Ca -0.12 -1.98 -0.01 0.00 0.00 0.00 0.00 44.72 42.61 1avo s GLY 145 CO 0.83 -1.77 0.24 -2.01 0.00 0.00 0.00 173.10 170.39 1avo n ASN 146 N -0.61 -3.72 -0.09 1.64 5.15 -1.26 -5.01 115.26 111.36 1avo n ASN 146 Ca -0.03 -0.08 0.08 0.00 -0.60 0.00 0.00 54.58 53.95 1avo n ASN 146 Cb 0.66 -2.25 0.11 0.00 -0.53 0.00 0.00 39.78 37.77 1avo n ASN 146 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1avo n ASN 147 N -1.47 2.08 0.09 1.20 3.02 -1.26 -4.72 115.26 114.20 1avo n ASN 147 Ca -0.01 -2.81 -0.13 0.00 -0.03 0.00 0.00 54.58 51.60 1avo n ASN 147 Cb 0.51 -0.34 -0.08 0.00 -0.61 0.00 0.00 39.78 39.26 1avo n ASN 147 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1avo h PHE 148 N 0.00 -0.15 -0.93 3.10 3.57 -1.95 0.63 116.94 121.21 1avo h PHE 148 Ca 0.00 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1avo h PHE 148 Cb 0.95 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 1avo h PHE 148 CO 0.01 -0.00 0.60 0.78 -2.23 0.00 0.00 178.31 177.47 1avo h GLY 149 N -0.27 1.37 1.13 2.40 0.00 -1.84 0.29 103.07 106.15 1avo h GLY 149 Ca -0.02 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1avo h GLY 149 CO 0.03 0.29 0.27 -2.08 0.00 0.00 0.00 176.54 175.05 1avo h VAL 150 N 1.04 1.25 -0.68 4.60 2.07 -1.48 -1.15 116.25 121.90 1avo h VAL 150 Ca 0.41 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1avo h VAL 150 Cb 0.23 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1avo h VAL 150 CO -0.16 0.33 0.31 0.00 0.02 0.00 0.00 177.57 178.07 1avo h ALA 151 N 1.22 1.27 -0.39 1.67 0.00 0.37 -1.28 119.26 122.12 1avo h ALA 151 Ca 0.24 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1avo h ALA 151 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1avo h ALA 151 CO -0.02 0.56 -0.00 0.28 0.00 0.00 0.00 179.25 180.07 1avo h VAL 152 N 0.97 1.26 -0.72 0.00 2.07 -0.28 -2.29 116.25 117.26 1avo h VAL 152 Ca 0.24 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 1avo h VAL 152 Cb 0.12 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1avo h VAL 152 CO -0.03 0.34 0.30 1.56 0.02 0.00 0.00 177.57 179.76 1avo h GLN 153 N 0.52 1.06 -0.13 1.57 4.20 -0.74 -2.36 115.11 119.23 1avo h GLN 153 Ca 0.11 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1avo h GLN 153 Cb 0.48 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1avo h GLN 153 CO 0.02 0.85 -0.13 0.93 -0.67 0.00 0.00 178.83 179.83 1avo h GLU 154 N 1.04 0.21 -0.03 1.46 5.08 -0.98 -0.55 114.58 120.81 1avo h GLU 154 Ca 0.24 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.33 1avo h GLU 154 Cb 0.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1avo h GLU 154 CO -0.02 0.35 -0.90 -0.22 -1.00 0.00 0.00 179.01 177.21 1avo h LYS 155 N 0.20 0.49 -0.31 2.33 1.63 -0.91 -2.23 116.57 117.76 1avo h LYS 155 Ca 0.04 -0.49 -0.09 0.00 -0.85 0.00 0.00 60.65 59.26 1avo h LYS 155 Cb 0.36 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 1avo h LYS 155 CO 0.02 1.13 -0.16 0.28 -3.45 0.00 0.00 179.45 177.27 1avo h VAL 156 N 0.30 1.29 -0.71 2.00 2.07 -1.23 -2.97 116.25 117.00 1avo h VAL 156 Ca -0.08 -1.27 0.10 0.00 0.82 0.00 0.00 66.70 66.28 1avo h VAL 156 Cb 1.53 1.44 -0.08 0.00 -1.52 0.00 0.00 31.29 32.67 1avo h VAL 156 CO 0.16 0.41 0.34 0.15 0.02 0.00 0.00 177.57 178.65 1avo h PHE 157 N 0.42 0.60 -1.00 1.57 3.57 -1.11 0.19 116.94 121.18 1avo h PHE 157 Ca 0.07 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.71 1avo h PHE 157 Cb 0.69 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 39.19 1avo h PHE 157 CO 0.06 0.19 0.63 0.93 -2.23 0.00 0.00 178.31 177.89 1avo h GLU 158 N 0.56 0.98 -0.21 1.11 5.08 -1.24 -0.75 114.58 120.11 1avo h GLU 158 Ca 0.36 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1avo h GLU 158 Cb 0.41 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1avo h GLU 158 CO -0.29 0.65 -0.05 1.25 -1.00 0.00 0.00 179.01 179.57 1avo h LEU 159 N 1.01 0.40 -1.18 1.33 5.85 -0.56 -2.77 115.31 119.39 1avo h LEU 159 Ca 0.49 -0.36 0.12 0.00 0.84 0.00 0.00 57.88 58.96 1avo h LEU 159 Cb 0.44 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 1avo h LEU 159 CO -0.25 0.67 0.59 0.24 -0.34 0.00 0.00 178.44 179.35 1avo h MET 160 N 0.13 0.82 0.00 1.25 2.86 -0.39 0.68 114.93 120.28 1avo h MET 160 Ca 0.05 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1avo h MET 160 Cb 0.49 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1avo h MET 160 CO 0.02 0.54 -0.33 1.15 1.06 0.00 0.00 176.91 179.35 1avo h THR 161 N 0.85 1.19 0.12 2.22 2.02 -0.96 0.69 112.91 119.03 1avo h THR 161 Ca 0.45 -1.15 -0.15 0.00 0.77 0.00 0.00 66.41 66.33 1avo h THR 161 Cb 0.55 1.63 0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1avo h THR 161 CO -0.21 0.32 -0.67 0.28 0.37 0.00 0.00 175.52 175.61 1avo h SER 162 N 0.00 0.39 -0.73 4.18 0.02 -0.66 -2.40 113.55 114.35 1avo h SER 162 Ca -0.00 -0.96 0.14 0.00 -0.84 0.00 0.00 61.79 60.13 1avo h SER 162 Cb 0.60 -0.13 -0.10 0.00 0.14 0.00 0.00 62.40 62.92 1avo h SER 162 CO 0.04 1.32 0.26 -0.07 -1.14 0.00 0.00 176.83 177.24 1avo h LEU 163 N -0.48 0.20 0.23 5.07 3.38 -0.86 0.93 115.31 123.79 1avo h LEU 163 Ca -0.12 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1avo h LEU 163 Cb 1.53 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1avo h LEU 163 CO 0.13 0.06 -0.11 -0.74 0.09 0.00 0.00 178.44 177.87 1avo h HIS 164 N 0.39 -0.29 -0.57 1.13 2.76 -0.76 0.00 115.15 117.81 1avo h HIS 164 Ca 0.40 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.68 1avo h HIS 164 Cb 0.63 0.10 -0.11 0.00 1.55 0.00 0.00 27.41 29.57 1avo h HIS 164 CO -0.19 -0.15 -0.17 1.15 -1.30 0.00 0.00 177.93 177.27 1avo h THR 165 N -0.35 0.38 0.07 6.26 2.02 -0.82 0.12 112.91 120.60 1avo h THR 165 Ca -0.03 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1avo h THR 165 Cb 0.27 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1avo h THR 165 CO 0.05 0.00 -0.09 0.50 0.37 0.00 0.00 175.52 176.35 1avo h LYS 166 N -0.03 -0.18 0.00 6.66 3.64 -0.26 -3.17 116.57 123.22 1avo h LYS 166 Ca 0.27 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1avo h LYS 166 Cb 0.45 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1avo h LYS 166 CO -0.60 -0.12 -0.38 -0.07 -2.27 0.00 0.00 179.45 176.01 1avo h LEU 167 N -0.19 0.00 -1.41 5.20 3.38 -0.19 -3.16 115.31 118.94 1avo h LEU 167 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1avo h LEU 167 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1avo h LEU 167 CO -0.04 0.38 -0.05 -0.08 0.09 0.00 0.00 178.44 178.74 1avo h GLU 168 N 0.00 0.33 -0.65 1.13 4.81 -0.76 -2.95 114.58 116.50 1avo h GLU 168 Ca -0.00 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1avo h GLU 168 Cb 0.96 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 1avo h GLU 168 CO 0.05 0.40 0.26 0.78 -0.73 0.00 0.00 179.01 179.76 1avo h GLY 169 N 0.70 1.04 -0.29 1.92 0.00 -1.63 -3.09 103.07 101.73 1avo h GLY 169 Ca 0.07 -0.57 0.19 0.00 0.00 0.00 0.00 47.33 47.02 1avo h GLY 169 CO 0.01 0.54 0.16 0.74 0.00 0.00 0.00 176.54 177.99 1avo h PHE 170 N 0.91 0.23 -0.43 5.60 -1.00 -1.67 -1.69 116.94 118.90 1avo h PHE 170 Ca 0.22 0.05 0.08 0.00 2.81 0.00 0.00 57.97 61.13 1avo h PHE 170 Cb 0.21 0.02 -0.09 0.00 3.61 0.00 0.00 35.95 39.70 1avo h PHE 170 CO 0.01 -0.17 -0.33 1.25 -1.61 0.00 0.00 178.31 177.46 1avo h HIS 171 N 0.21 -0.93 0.00 -0.55 2.76 -1.66 -2.42 115.15 112.56 1avo h HIS 171 Ca 0.47 0.06 -0.07 0.00 -2.20 0.00 0.00 60.37 58.63 1avo h HIS 171 Cb 0.87 0.47 -0.01 0.00 1.55 0.00 0.00 27.41 30.29 1avo h HIS 171 CO -0.30 -0.39 -0.32 1.79 -1.30 0.00 0.00 177.93 177.41 1avo h THR 172 N -0.24 0.85 0.00 6.26 1.35 -1.49 -3.04 112.91 116.60 1avo h THR 172 Ca 0.18 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1avo h THR 172 Cb 0.54 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1avo h THR 172 CO -0.56 0.32 0.00 1.56 -0.25 0.00 0.00 175.52 176.59 1avo h GLN 173 N 0.00 0.00 0.21 4.72 4.20 -0.98 -2.80 115.11 120.46 1avo h GLN 173 Ca -0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.41 1avo h GLN 173 Cb 0.76 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.58 1avo h GLN 173 CO 0.04 0.00 -1.28 0.82 -0.67 0.00 0.00 178.83 177.74 1avo h ILE 174 N 0.00 1.34 -0.30 2.54 2.04 -1.60 -2.96 117.51 118.57 1avo h ILE 174 Ca 0.00 -2.63 -0.17 0.00 1.00 0.00 0.00 64.86 63.06 1avo h ILE 174 Cb 0.07 3.06 -0.00 0.00 -0.74 0.00 0.00 36.82 39.21 1avo h ILE 174 CO 0.00 0.78 -0.49 0.28 0.00 0.00 0.00 178.15 178.72 1avo h SER 175 N 0.02 0.92 -0.96 1.72 0.02 -1.69 -2.77 113.55 110.80 1avo h SER 175 Ca -0.22 -0.47 0.10 0.00 -0.84 0.00 0.00 61.79 60.36 1avo h SER 175 Cb 2.01 -0.26 -0.08 0.00 0.14 0.00 0.00 62.40 64.21 1avo h SER 175 CO 0.24 1.25 0.60 0.50 -1.14 0.00 0.00 176.83 178.28 1avo h LYS 176 N 0.66 0.97 0.15 3.45 3.64 -1.61 -0.89 116.57 122.93 1avo h LYS 176 Ca 0.03 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1avo h LYS 176 Cb 1.08 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 1avo h LYS 176 CO 0.11 0.64 -0.30 -0.92 -2.27 0.00 0.00 179.45 176.72 1avo h TYR 177 N 1.00 -0.80 0.00 1.91 3.20 -1.31 0.32 116.97 121.29 1avo h TYR 177 Ca 0.46 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.32 1avo h TYR 177 Cb 0.37 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 1avo h TYR 177 CO -0.02 -0.41 -0.12 0.74 -1.64 0.00 0.00 178.16 176.72 1avo h PHE 178 N -0.53 0.00 0.12 -3.82 0.04 -1.39 0.29 116.94 111.65 1avo h PHE 178 Ca 0.02 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.57 1avo h PHE 178 Cb 0.55 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.72 1avo h PHE 178 CO -0.25 0.12 -0.97 1.03 -0.60 0.00 0.00 178.31 177.64 1avo h SER 179 N 0.00 0.64 -0.60 2.17 0.87 -0.41 -0.54 113.55 115.68 1avo h SER 179 Ca -0.00 -0.88 -0.10 0.00 -1.23 0.00 0.00 61.79 59.58 1avo h SER 179 Cb 0.23 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1avo h SER 179 CO 0.02 1.46 -0.02 -0.33 -0.53 0.00 0.00 176.83 177.42 1avo h GLU 180 N -0.08 1.07 0.01 2.24 5.08 -0.05 -1.99 114.58 120.85 1avo h GLU 180 Ca -0.16 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1avo h GLU 180 Cb 1.72 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1avo h GLU 180 CO 0.18 1.05 -0.00 -0.09 -1.00 0.00 0.00 179.01 179.15 1avo h ARG 181 N 0.96 -0.01 -0.86 2.33 2.43 -0.50 -1.87 114.38 116.87 1avo h ARG 181 Ca 0.17 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.52 1avo h ARG 181 Cb 0.59 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.03 1avo h ARG 181 CO 0.04 0.42 0.38 0.78 -1.51 0.00 0.00 179.97 180.07 1avo h GLY 182 N -0.44 1.41 1.13 2.80 0.00 -1.04 0.13 103.07 107.05 1avo h GLY 182 Ca -0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1avo h GLY 182 CO 0.00 -0.18 -0.08 -0.55 0.00 0.00 0.00 176.54 175.72 1avo h ASP 183 N 0.45 1.02 -0.21 0.19 3.32 -1.31 -2.16 116.42 117.73 1avo h ASP 183 Ca 0.51 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1avo h ASP 183 Cb 0.88 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1avo h ASP 183 CO -0.47 1.12 0.09 0.00 -1.72 0.00 0.00 179.24 178.26 1avo h ALA 184 N 0.97 0.27 -0.17 3.45 0.00 0.07 -2.25 119.26 121.59 1avo h ALA 184 Ca 0.15 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1avo h ALA 184 Cb 0.65 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1avo h ALA 184 CO 0.04 -0.16 -0.08 0.28 0.00 0.00 0.00 179.25 179.34 1avo h VAL 185 N 0.19 0.75 -0.37 0.00 2.07 -1.17 0.12 116.25 117.83 1avo h VAL 185 Ca 0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.67 1avo h VAL 185 Cb 0.14 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1avo h VAL 185 CO -0.01 0.00 -0.20 0.74 0.02 0.00 0.00 177.57 178.12 1avo h THR 186 N -0.05 0.42 -0.60 2.57 2.02 -1.28 0.42 112.91 116.40 1avo h THR 186 Ca 0.09 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 1avo h THR 186 Cb 0.19 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1avo h THR 186 CO -0.21 0.00 0.05 0.11 0.37 0.00 0.00 175.52 175.84 1avo h LYS 187 N -0.14 1.02 -0.36 6.66 1.57 -1.06 0.11 116.57 124.37 1avo h LYS 187 Ca 0.19 -0.30 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1avo h LYS 187 Cb 0.43 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 1avo h LYS 187 CO -0.46 0.99 0.00 0.00 -0.57 0.00 0.00 179.45 179.41 1avo h ALA 188 N 1.00 0.32 0.13 3.86 0.00 0.02 0.34 119.26 124.93 1avo h ALA 188 Ca 0.18 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1avo h ALA 188 Cb 0.49 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1avo h ALA 188 CO 0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 179.25 178.81 1avo h ALA 189 N 1.31 -0.18 0.00 0.00 0.00 0.24 -2.26 119.26 118.37 1avo h ALA 189 Ca 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1avo h ALA 189 Cb 0.24 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1avo h ALA 189 CO -0.29 -0.55 -0.11 0.87 0.00 0.00 0.00 179.25 179.16 1avo h LYS 190 N -0.28 0.00 -2.10 0.00 1.57 -0.43 -3.28 116.57 112.05 1avo h LYS 190 Ca -0.02 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.19 1avo h LYS 190 Cb 0.22 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.13 1avo h LYS 190 CO 0.03 0.11 -0.86 1.04 -0.57 0.00 0.00 179.45 179.21 1avo n GLN 191 N -3.50 1.71 0.13 3.15 1.13 0.12 -4.92 117.38 115.20 1avo n GLN 191 Ca -0.01 -3.99 0.10 0.00 -1.94 0.00 0.00 57.00 51.16 1avo n GLN 191 Cb 0.26 -1.78 0.49 0.00 0.11 0.00 0.00 30.24 29.33 1avo n GLN 191 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1avo n PRO 192 N 0.96 0.13 0.18 -1.09 -0.04 -0.87 -1.27 135.00 132.99 1avo n PRO 192 Ca 0.26 0.56 0.09 0.00 -0.04 0.00 0.00 63.50 64.37 1avo n PRO 192 Cb 0.48 -1.87 0.11 0.00 -0.04 0.00 0.00 33.50 32.17 1avo n PRO 192 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1avo h HIS 193 N 0.00 0.00 -3.50 0.54 2.07 -1.91 -3.43 115.15 108.92 1avo h HIS 193 Ca 0.00 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.88 1avo h HIS 193 Cb 0.10 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 29.93 1avo h HIS 193 CO 0.00 0.13 0.27 0.08 -3.07 0.00 0.00 177.93 175.34 1avo s VAL 194 N -3.17 4.70 -0.57 6.12 1.01 -0.40 -4.92 120.40 123.17 1avo s VAL 194 Ca 0.05 0.17 0.25 0.00 0.00 0.00 0.00 61.98 62.46 1avo s VAL 194 Cb 0.06 -4.31 0.31 0.00 0.00 0.00 0.00 36.38 32.44 1avo s VAL 194 CO 0.71 -0.75 1.73 1.23 0.00 0.00 0.00 175.10 178.01 1avo h GLY 195 N 10.06 0.00 2.00 4.51 0.00 -1.84 -3.21 103.07 114.59 1avo h GLY 195 Ca -0.26 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 1avo h GLY 195 CO 0.96 0.00 -0.22 -0.55 0.00 0.00 0.00 176.54 176.73 1avo h ASP 196 N 0.00 0.00 0.63 0.19 5.19 -1.95 -1.78 116.42 118.70 1avo h ASP 196 Ca 0.00 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 1avo h ASP 196 Cb 0.79 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.28 1avo h ASP 196 CO 0.00 0.22 -0.61 1.88 -3.12 0.00 0.00 179.24 177.61 1avo h TYR 197 N 0.00 0.00 -0.11 4.55 0.05 -1.92 0.40 116.97 119.95 1avo h TYR 197 Ca -0.00 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.55 1avo h TYR 197 Cb 0.55 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.30 1avo h TYR 197 CO 0.00 0.61 -0.84 0.00 -1.05 0.00 0.00 178.16 176.87 1avo h ARG 198 N 0.00 0.73 -0.58 4.88 3.08 -1.52 -2.10 114.38 118.87 1avo h ARG 198 Ca -0.01 -0.64 -0.10 0.00 0.07 0.00 0.00 59.98 59.30 1avo h ARG 198 Cb 1.08 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 1avo h ARG 198 CO 0.08 1.24 -0.04 1.96 -1.07 0.00 0.00 179.97 182.14 1avo h GLN 199 N 0.48 1.04 -0.23 0.04 1.08 -1.05 -2.48 115.11 113.99 1avo h GLN 199 Ca -0.07 -0.35 0.03 0.00 -1.45 0.00 0.00 58.65 56.81 1avo h GLN 199 Cb 1.47 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 28.79 1avo h GLN 199 CO 0.17 1.04 0.06 1.25 -0.95 0.00 0.00 178.83 180.40 1avo h LEU 200 N 0.94 0.04 -0.89 1.46 5.85 -0.14 -0.64 115.31 121.93 1avo h LEU 200 Ca 0.16 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.04 1avo h LEU 200 Cb 0.60 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.57 1avo h LEU 200 CO 0.04 0.06 0.51 0.58 -0.34 0.00 0.00 178.44 179.28 1avo h VAL 201 N 0.15 0.82 0.00 1.05 2.07 -0.94 -1.02 116.25 118.38 1avo h VAL 201 Ca 0.10 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 1avo h VAL 201 Cb 0.09 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1avo h VAL 201 CO -0.12 0.14 -0.42 0.45 0.02 0.00 0.00 177.57 177.64 1avo h HIS 202 N 0.77 0.00 -0.08 1.57 3.86 -0.99 -3.00 115.15 117.28 1avo h HIS 202 Ca 0.46 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.54 1avo h HIS 202 Cb 0.56 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1avo h HIS 202 CO -0.05 0.42 -0.54 0.93 0.86 0.00 0.00 177.93 179.54 1avo h GLU 203 N 0.00 0.23 -0.49 2.45 4.39 0.17 -2.67 114.58 118.65 1avo h GLU 203 Ca -0.00 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 1avo h GLU 203 Cb 1.05 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 1avo h GLU 203 CO 0.05 0.72 0.16 -0.07 -1.16 0.00 0.00 179.01 178.71 1avo h LEU 204 N 0.18 0.72 -0.31 1.33 3.38 -1.28 -0.21 115.31 119.12 1avo h LEU 204 Ca 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1avo h LEU 204 Cb 1.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1avo h LEU 204 CO 0.08 0.73 0.11 0.44 0.09 0.00 0.00 178.44 179.90 1avo h ASP 205 N 0.67 0.45 -0.77 -0.43 3.32 -1.52 0.31 116.42 118.44 1avo h ASP 205 Ca 0.16 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1avo h ASP 205 Cb 0.27 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 1avo h ASP 205 CO -0.01 0.51 0.45 -0.33 -1.72 0.00 0.00 179.24 178.15 1avo h GLU 206 N 0.36 1.06 -0.30 3.56 5.08 -1.24 0.34 114.58 123.43 1avo h GLU 206 Ca 0.10 -0.11 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1avo h GLU 206 Cb 0.21 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1avo h GLU 206 CO -0.01 0.76 -0.51 0.00 -1.00 0.00 0.00 179.01 178.26 1avo h ALA 207 N 1.24 0.52 -0.36 3.43 0.00 -0.70 -0.76 119.26 122.63 1avo h ALA 207 Ca 0.28 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1avo h ALA 207 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1avo h ALA 207 CO -0.05 0.68 0.08 1.49 0.00 0.00 0.00 179.25 181.45 1avo h GLU 208 N 0.67 0.52 -0.34 0.00 4.57 0.31 0.12 114.58 120.44 1avo h GLU 208 Ca 0.03 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 1avo h GLU 208 Cb 1.11 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 1avo h GLU 208 CO 0.11 0.49 -0.02 -0.92 -1.18 0.00 0.00 179.01 177.50 1avo h TYR 209 N 0.51 0.68 -0.12 0.92 3.20 -0.43 -0.65 116.97 121.09 1avo h TYR 209 Ca 0.12 -0.12 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1avo h TYR 209 Cb 0.21 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1avo h TYR 209 CO 0.01 0.74 -0.30 0.00 -1.64 0.00 0.00 178.16 176.97 1avo h ARG 210 N 0.42 0.22 -0.19 1.82 3.08 -0.11 -3.07 114.38 116.55 1avo h ARG 210 Ca 0.09 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1avo h ARG 210 Cb 0.48 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1avo h ARG 210 CO 0.02 0.50 -0.04 -0.44 -1.07 0.00 0.00 179.97 178.94 1avo h ASP 211 N 0.19 0.36 -0.63 7.04 3.32 -0.12 -2.14 116.42 124.46 1avo h ASP 211 Ca 0.03 -0.36 0.12 0.00 0.02 0.00 0.00 57.03 56.84 1avo h ASP 211 Cb 0.63 -0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.99 1avo h ASP 211 CO 0.05 0.64 0.11 0.40 -1.72 0.00 0.00 179.24 178.72 1avo h ILE 212 N 0.08 0.58 -0.42 0.35 2.04 -1.13 0.68 117.51 119.70 1avo h ILE 212 Ca 0.05 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1avo h ILE 212 Cb 0.48 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1avo h ILE 212 CO 0.02 0.04 0.25 -0.09 0.00 0.00 0.00 178.15 178.37 1avo h ARG 213 N 0.23 0.57 -0.52 2.37 2.43 -1.42 0.10 114.38 118.14 1avo h ARG 213 Ca 0.33 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.40 1avo h ARG 213 Cb 0.52 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1avo h ARG 213 CO -0.45 0.42 0.11 -0.07 -1.51 0.00 0.00 179.97 178.47 1avo h LEU 214 N 0.55 0.74 -0.62 3.80 3.38 -0.39 0.44 115.31 123.21 1avo h LEU 214 Ca 0.15 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1avo h LEU 214 Cb 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1avo h LEU 214 CO -0.03 0.74 -0.33 0.24 0.09 0.00 0.00 178.44 179.15 1avo h MET 215 N 0.77 0.72 -0.30 1.13 2.86 0.95 0.30 114.93 121.36 1avo h MET 215 Ca 0.17 -0.34 -0.13 0.00 -2.06 0.00 0.00 59.70 57.34 1avo h MET 215 Cb 0.31 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1avo h MET 215 CO 0.00 0.95 -0.34 0.28 1.06 0.00 0.00 176.91 178.86 1avo h VAL 216 N 0.61 1.29 -0.30 -2.22 2.07 -0.33 -1.92 116.25 115.45 1avo h VAL 216 Ca 0.06 -1.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.03 1avo h VAL 216 Cb 0.86 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1avo h VAL 216 CO 0.07 0.48 -0.09 -0.03 0.02 0.00 0.00 177.57 178.02 1avo h MET 217 N 0.57 0.58 0.00 1.57 -1.53 -0.62 -1.99 114.93 113.51 1avo h MET 217 Ca 0.06 -0.23 0.00 0.00 -3.44 0.00 0.00 59.70 56.09 1avo h MET 217 Cb 0.86 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.88 1avo h MET 217 CO 0.07 0.79 0.00 0.93 0.14 0.00 0.00 176.91 178.84 1avo h GLU 218 N 0.34 0.00 0.17 0.39 5.08 -0.18 -2.67 114.58 117.71 1avo h GLU 218 Ca 0.07 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.09 1avo h GLU 218 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1avo h GLU 218 CO 0.03 0.00 -1.72 0.82 -1.00 0.00 0.00 179.01 177.14 1avo h ILE 219 N 0.00 0.91 -0.29 3.13 2.04 -1.09 -2.88 117.51 119.34 1avo h ILE 219 Ca 0.00 -2.47 0.02 0.00 1.00 0.00 0.00 64.86 63.41 1avo h ILE 219 Cb 0.50 2.72 -0.02 0.00 -0.74 0.00 0.00 36.82 39.28 1avo h ILE 219 CO 0.00 0.84 0.13 -0.09 0.00 0.00 0.00 178.15 179.03 1avo h ARG 220 N 0.02 0.28 -0.26 2.37 2.43 -1.30 -2.13 114.38 115.79 1avo h ARG 220 Ca -0.35 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 58.86 1avo h ARG 220 Cb 2.03 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.50 1avo h ARG 220 CO 0.14 0.18 0.18 -0.91 -1.51 0.00 0.00 179.97 178.06 1avo h ASN 221 N 0.28 0.08 -0.17 -3.80 2.35 -1.58 -1.30 115.58 111.44 1avo h ASN 221 Ca 0.12 -0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 1avo h ASN 221 Cb 0.05 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1avo h ASN 221 CO -0.09 0.05 -0.48 0.00 -1.65 0.00 0.00 177.43 175.27 1avo h ALA 222 N 1.86 0.28 -0.43 -0.83 0.00 -1.16 -0.97 119.26 118.02 1avo h ALA 222 Ca 0.12 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1avo h ALA 222 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1avo h ALA 222 CO -0.01 0.44 0.24 1.88 0.00 0.00 0.00 179.25 181.79 1avo h TYR 223 N 0.28 0.58 0.44 0.00 0.05 -1.03 -1.50 116.97 115.79 1avo h TYR 223 Ca -0.01 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 1avo h TYR 223 Cb 1.10 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.65 1avo h TYR 223 CO 0.10 0.44 -0.21 0.00 -1.05 0.00 0.00 178.16 177.44 1avo h ALA 224 N 1.09 -0.59 -0.83 3.88 0.00 -1.19 -1.03 119.26 120.58 1avo h ALA 224 Ca 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1avo h ALA 224 Cb 0.05 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1avo h ALA 224 CO -0.02 -0.82 0.43 0.28 0.00 0.00 0.00 179.25 179.11 1avo h VAL 225 N -0.62 1.25 -0.27 0.00 2.07 -1.16 -0.76 116.25 116.77 1avo h VAL 225 Ca -0.06 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1avo h VAL 225 Cb 0.47 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1avo h VAL 225 CO 0.10 0.29 0.01 -0.07 0.02 0.00 0.00 177.57 177.91 1avo h LEU 226 N 1.17 0.46 -0.26 2.57 3.38 -1.14 -1.67 115.31 119.81 1avo h LEU 226 Ca 0.29 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1avo h LEU 226 Cb 0.07 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1avo h LEU 226 CO -0.04 0.65 0.14 0.22 0.09 0.00 0.00 178.44 179.50 1avo h TYR 227 N 0.25 0.36 0.06 1.13 3.20 -0.89 -1.52 116.97 119.57 1avo h TYR 227 Ca 0.08 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1avo h TYR 227 Cb 0.41 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 1avo h TYR 227 CO 0.03 0.31 -0.18 0.22 -1.64 0.00 0.00 178.16 176.90 1avo h ASP 228 N 0.31 -0.51 -0.15 -2.11 3.58 -1.08 0.06 116.42 116.51 1avo h ASP 228 Ca 0.09 0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.50 1avo h ASP 228 Cb 0.07 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1avo h ASP 228 CO -0.01 -0.25 -0.26 -0.29 -2.88 0.00 0.00 179.24 175.54 1avo h ILE 229 N -0.33 1.27 -0.45 2.25 2.10 -1.24 -2.09 117.51 119.02 1avo h ILE 229 Ca 0.04 -1.35 -0.10 0.00 1.08 0.00 0.00 64.86 64.53 1avo h ILE 229 Cb 0.37 1.32 -0.01 0.00 -1.09 0.00 0.00 36.82 37.41 1avo h ILE 229 CO -0.13 0.44 -0.09 0.40 -1.08 0.00 0.00 178.15 177.68 1avo h ILE 230 N 0.54 1.27 0.95 2.19 1.08 -1.06 -2.96 117.51 119.51 1avo h ILE 230 Ca 0.07 -1.21 -0.05 0.00 -0.39 0.00 0.00 64.86 63.29 1avo h ILE 230 Cb 0.73 1.12 0.01 0.00 -3.07 0.00 0.00 36.82 35.61 1avo h ILE 230 CO 0.06 0.41 -0.48 -0.07 -0.69 0.00 0.00 178.15 177.38 1avo h LEU 231 N 0.70 -1.14 -1.23 1.44 -0.00 -0.77 -1.79 115.31 112.52 1avo h LEU 231 Ca 0.12 0.04 0.23 0.00 -0.00 0.00 0.00 57.88 58.27 1avo h LEU 231 Cb 0.63 0.30 -0.10 0.00 -0.00 0.00 0.00 40.66 41.50 1avo h LEU 231 CO 0.04 -0.79 0.63 0.11 -0.00 0.00 0.00 178.44 178.43 1avo h LYS 232 N -1.30 0.51 -0.47 1.13 1.57 -1.45 -2.06 116.57 114.50 1avo h LYS 232 Ca -0.13 -0.03 -0.27 0.00 -1.87 0.00 0.00 60.65 58.35 1avo h LYS 232 Cb 1.00 -0.12 -0.16 0.00 0.08 0.00 0.00 32.23 33.04 1avo h LYS 232 CO 0.20 0.34 -0.04 0.09 -0.57 0.00 0.00 179.45 179.47 1avo n ASN 233 N -4.69 3.04 -0.20 0.86 3.02 -1.12 -4.74 115.26 111.44 1avo n ASN 233 Ca 0.24 -3.78 -0.07 0.00 -0.03 0.00 0.00 54.58 50.93 1avo n ASN 233 Cb 0.75 -0.65 0.02 0.00 -0.61 0.00 0.00 39.78 39.29 1avo n ASN 233 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1avo h PHE 234 N 1.16 0.81 -0.41 3.10 3.57 -0.57 -1.73 116.94 122.86 1avo h PHE 234 Ca 0.29 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1avo h PHE 234 Cb 1.69 -0.25 -0.08 0.00 2.79 0.00 0.00 35.95 40.10 1avo h PHE 234 CO 1.10 0.62 -0.54 1.49 -2.23 0.00 0.00 178.31 178.75 1avo h GLU 235 N 0.76 -0.37 0.00 1.11 4.81 -1.85 0.32 114.58 119.36 1avo h GLU 235 Ca 0.19 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 1avo h GLU 235 Cb 0.11 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1avo h GLU 235 CO -0.02 -0.24 -0.55 0.87 -0.73 0.00 0.00 179.01 178.33 1avo h LYS 236 N -0.38 0.00 -0.53 1.92 1.79 -1.75 0.41 116.57 118.04 1avo h LYS 236 Ca 0.07 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.43 1avo h LYS 236 Cb 0.57 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 1avo h LYS 236 CO -0.59 0.55 -0.11 -0.07 -1.08 0.00 0.00 179.45 178.15 1avo h LEU 237 N 0.00 1.01 0.17 2.94 3.38 -0.32 -2.23 115.31 120.26 1avo h LEU 237 Ca -0.01 -0.35 -0.32 0.00 0.09 0.00 0.00 57.88 57.29 1avo h LEU 237 Cb 1.00 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.49 1avo h LEU 237 CO 0.07 1.13 -1.53 0.50 0.09 0.00 0.00 178.44 178.70 1avo h LYS 238 N 0.88 0.36 -2.35 1.13 3.64 -0.20 -3.40 116.57 116.62 1avo h LYS 238 Ca 0.14 -0.61 -0.59 0.00 -1.27 0.00 0.00 60.65 58.32 1avo h LYS 238 Cb 0.68 0.23 -0.40 0.00 -0.41 0.00 0.00 32.23 32.32 1avo h LYS 238 CO 0.05 1.26 -0.83 1.63 -2.27 0.00 0.00 179.45 179.29 1avo n LYS 239 N -3.56 1.34 0.25 1.90 5.02 0.14 -4.96 118.16 118.30 1avo n LYS 239 Ca -0.17 -3.87 0.15 0.00 -2.02 0.00 0.00 58.31 52.39 1avo n LYS 239 Cb 1.06 -1.82 0.81 0.00 -0.02 0.00 0.00 35.03 35.06 1avo n LYS 239 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1avo h PRO 240 N 4.68 0.00 0.00 1.97 0.13 -1.58 -2.93 132.00 134.27 1avo h PRO 240 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1avo h PRO 240 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1avo h PRO 240 CO 0.60 0.00 -0.62 0.54 -0.23 0.00 0.00 178.00 178.29 1avo n ARG 241 N -2.61 2.59 0.00 0.86 1.74 -1.26 -3.50 116.66 114.48 1avo n ARG 241 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1avo n ARG 241 Cb 0.15 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1avo n ARG 241 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52