#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgh s LYS 112 N 0.00 4.14 0.42 1.61 2.20 -1.26 -4.94 119.74 121.91 3fgh s LYS 112 Ca 0.00 2.56 -0.24 0.00 -0.36 0.00 0.00 55.97 57.93 3fgh s LYS 112 Cb 0.00 -3.17 -0.11 0.00 -1.51 0.00 0.00 37.83 33.04 3fgh s LYS 112 CO 0.00 -0.74 0.94 -2.30 -0.36 0.00 0.00 175.35 172.89 3fgh n PRO 113 N 4.25 1.21 -3.71 4.03 -0.02 -1.26 -4.98 135.00 134.53 3fgh n PRO 113 Ca 0.16 0.44 -0.36 0.00 -2.02 0.00 0.00 63.50 61.71 3fgh n PRO 113 Cb 0.36 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 31.81 3fgh n PRO 113 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3fgh s LYS 114 N -1.97 3.98 0.17 -0.52 1.02 -1.26 -5.05 119.74 116.12 3fgh s LYS 114 Ca 0.64 -0.08 -0.32 0.00 0.02 0.00 0.00 55.97 56.23 3fgh s LYS 114 Cb -0.56 -3.35 -0.11 0.00 -0.52 0.00 0.00 37.83 33.29 3fgh s LYS 114 CO 0.57 0.44 1.71 0.50 -0.92 0.00 0.00 175.35 177.64 3fgh s ARG 115 N -0.08 4.15 0.72 1.68 3.52 -1.26 -4.95 118.95 122.73 3fgh s ARG 115 Ca 0.13 2.54 -0.13 0.00 -0.13 0.00 0.00 55.73 58.13 3fgh s ARG 115 Cb -0.12 -3.23 0.03 0.00 -1.56 0.00 0.00 34.95 30.07 3fgh s ARG 115 CO 0.02 -0.74 1.11 -1.25 -0.81 0.00 0.00 175.30 173.63 3fgh s PRO 116 N 1.59 2.47 0.36 5.12 0.04 -1.26 -4.98 135.00 138.34 3fgh s PRO 116 Ca 0.75 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 62.84 3fgh s PRO 116 Cb -0.47 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.05 3fgh s PRO 116 CO 0.33 -1.50 1.40 0.50 0.04 0.00 0.00 177.00 177.77 3fgh s ARG 117 N -4.43 4.18 0.79 4.56 3.52 -1.26 -4.99 118.95 121.30 3fgh s ARG 117 Ca 0.65 2.40 -0.11 0.00 -0.13 0.00 0.00 55.73 58.54 3fgh s ARG 117 Cb -0.20 -2.98 0.07 0.00 -1.56 0.00 0.00 34.95 30.28 3fgh s ARG 117 CO 0.48 -0.41 1.11 -1.54 -0.81 0.00 0.00 175.30 174.13 3fgh s SER 118 N -0.33 4.28 0.18 -2.12 1.04 -1.26 -4.76 113.70 110.72 3fgh s SER 118 Ca 0.52 1.91 -0.14 0.00 0.48 0.00 0.00 55.95 58.72 3fgh s SER 118 Cb -0.43 -2.53 0.16 0.00 0.10 0.00 0.00 66.02 63.32 3fgh s SER 118 CO 0.58 -2.19 1.71 0.00 0.98 0.00 0.00 173.24 174.31 3fgh h ALA 119 N -1.14 0.48 0.07 5.32 0.00 -1.92 0.16 119.26 122.23 3fgh h ALA 119 Ca -0.44 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.60 3fgh h ALA 119 Cb 1.24 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 3fgh h ALA 119 CO 0.50 -0.35 -0.48 -0.92 0.00 0.00 0.00 179.25 178.00 3fgh h TYR 120 N 0.18 -1.38 -0.08 0.00 3.20 -1.92 -1.33 116.97 115.64 3fgh h TYR 120 Ca 0.23 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 3fgh h TYR 120 Cb 0.32 0.60 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 3fgh h TYR 120 CO -0.25 -0.56 -0.14 -0.91 -1.64 0.00 0.00 178.16 174.66 3fgh h ASN 121 N -0.68 0.12 -0.19 -2.11 -0.26 -1.76 -0.39 115.58 110.31 3fgh h ASN 121 Ca 0.02 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 3fgh h ASN 121 Cb 0.72 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.94 3fgh h ASN 121 CO -0.30 0.28 0.10 0.58 -1.06 0.00 0.00 177.43 177.03 3fgh h VAL 122 N 0.12 1.12 0.23 2.81 2.07 -0.46 -1.32 116.25 120.82 3fgh h VAL 122 Ca 0.02 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3fgh h VAL 122 Cb 0.33 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3fgh h VAL 122 CO 0.02 0.11 -0.14 0.22 0.02 0.00 0.00 177.57 177.81 3fgh h TYR 123 N 0.19 -0.36 -0.47 1.57 3.20 -0.04 0.10 116.97 121.17 3fgh h TYR 123 Ca 0.07 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.98 3fgh h TYR 123 Cb 0.09 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 3fgh h TYR 123 CO -0.03 -0.22 0.21 0.28 -1.64 0.00 0.00 178.16 176.77 3fgh h VAL 124 N -0.35 0.92 -0.36 1.81 2.07 -1.09 -2.37 116.25 116.88 3fgh h VAL 124 Ca -0.02 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 3fgh h VAL 124 Cb 0.29 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3fgh h VAL 124 CO 0.02 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.70 3fgh h ALA 125 N 1.27 0.48 -0.21 1.67 0.00 -1.05 -2.04 119.26 119.39 3fgh h ALA 125 Ca 0.21 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3fgh h ALA 125 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3fgh h ALA 125 CO -0.17 0.25 -0.37 1.05 0.00 0.00 0.00 179.25 180.00 3fgh h GLU 126 N 0.45 0.46 0.00 0.00 4.11 -0.65 -2.84 114.58 116.11 3fgh h GLU 126 Ca 0.10 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.32 3fgh h GLU 126 Cb 0.45 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3fgh h GLU 126 CO 0.02 0.77 -0.47 0.00 0.07 0.00 0.00 179.01 179.39 3fgh h ARG 127 N 0.39 0.00 -0.42 1.06 2.47 -1.42 -3.40 114.38 113.06 3fgh h ARG 127 Ca 0.04 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.82 3fgh h ARG 127 Cb 0.83 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.10 3fgh h ARG 127 CO 0.07 0.00 0.13 0.35 0.56 0.00 0.00 179.97 181.08 3fgh h PHE 128 N 0.00 0.23 -0.90 3.04 3.57 -1.10 -2.79 116.94 118.99 3fgh h PHE 128 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3fgh h PHE 128 Cb 0.88 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 3fgh h PHE 128 CO 0.00 0.07 0.59 0.37 -2.23 0.00 0.00 178.31 177.11 3fgh h GLN 129 N 0.28 1.13 -0.12 1.11 4.15 -1.78 -1.93 115.11 117.96 3fgh h GLN 129 Ca 0.20 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3fgh h GLN 129 Cb 0.20 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.64 3fgh h GLN 129 CO -0.22 0.75 0.00 0.39 -1.93 0.00 0.00 178.83 177.82 3fgh n GLU 130 N -4.42 2.31 0.03 1.69 1.02 -1.20 -4.69 120.64 115.39 3fgh n GLU 130 Ca 0.11 -1.93 -0.12 0.00 -0.02 0.00 0.00 57.16 55.20 3fgh n GLU 130 Cb 0.06 -1.47 -0.08 0.00 -0.02 0.00 0.00 31.44 29.93 3fgh n GLU 130 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fgh h ALA 131 N 4.62 -0.03 -2.81 0.62 0.00 -1.06 -3.49 119.26 117.12 3fgh h ALA 131 Ca 0.00 -0.08 0.31 0.00 0.00 0.00 0.00 54.91 55.13 3fgh h ALA 131 Cb 0.95 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 3fgh h ALA 131 CO 0.00 -0.44 -0.79 1.63 0.00 0.00 0.00 179.25 179.66 3fgh n LYS 132 N -5.03 -2.62 0.00 0.00 5.02 -1.26 -5.02 118.16 109.25 3fgh n LYS 132 Ca -0.08 1.98 0.00 0.00 -2.02 0.00 0.00 58.31 58.19 3fgh n LYS 132 Cb 0.11 -3.12 0.00 0.00 -0.02 0.00 0.00 35.03 32.00 3fgh n LYS 132 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fgh n GLY 133 N -4.00 0.57 0.20 0.72 0.00 -1.26 -4.27 105.19 97.15 3fgh n GLY 133 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3fgh n GLY 133 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fgh h ASP 134 N 0.00 0.00 -5.05 1.61 3.45 -1.97 -3.43 116.42 111.02 3fgh h ASP 134 Ca 0.00 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 3fgh h ASP 134 Cb 0.00 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 38.66 3fgh h ASP 134 CO 0.00 0.00 0.09 -0.94 -1.57 0.00 0.00 179.24 176.82 3fgh s SER 135 N -5.96 -0.35 0.21 6.45 1.04 -1.26 -5.02 113.70 108.81 3fgh s SER 135 Ca 0.08 -0.31 -0.09 0.00 0.48 0.00 0.00 55.95 56.11 3fgh s SER 135 Cb 0.06 0.58 0.27 0.00 0.10 0.00 0.00 66.02 67.03 3fgh s SER 135 CO 0.66 -1.02 1.80 -0.65 0.98 0.00 0.00 173.24 175.01 3fgh h PRO 136 N 2.15 0.62 -0.52 4.02 0.11 -2.00 -0.74 132.00 135.65 3fgh h PRO 136 Ca -0.30 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.87 3fgh h PRO 136 Cb 1.28 -0.14 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 3fgh h PRO 136 CO 0.38 0.41 0.03 1.96 -0.21 0.00 0.00 178.00 180.57 3fgh h GLN 137 N 0.64 0.14 -0.26 1.05 7.50 -1.98 -1.05 115.11 121.15 3fgh h GLN 137 Ca 0.31 -0.01 -0.15 0.00 0.50 0.00 0.00 58.65 59.31 3fgh h GLN 137 Cb 0.25 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.75 3fgh h GLN 137 CO -0.21 0.09 -0.41 0.93 -1.50 0.00 0.00 178.83 177.73 3fgh h GLU 138 N 0.15 0.73 -0.65 1.46 4.39 -1.80 -1.39 114.58 117.46 3fgh h GLU 138 Ca 0.26 -0.44 0.08 0.00 0.34 0.00 0.00 59.36 59.60 3fgh h GLU 138 Cb 0.39 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.02 3fgh h GLU 138 CO -0.41 1.07 0.32 0.87 -1.16 0.00 0.00 179.01 179.69 3fgh h LYS 139 N 0.47 0.54 -0.63 2.33 1.57 -0.93 -1.73 116.57 118.19 3fgh h LYS 139 Ca 0.02 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3fgh h LYS 139 Cb 1.01 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 3fgh h LYS 139 CO 0.09 0.36 0.06 -0.07 -0.57 0.00 0.00 179.45 179.32 3fgh h LEU 140 N 0.56 1.04 -0.83 2.94 3.38 -1.04 -1.95 115.31 119.40 3fgh h LEU 140 Ca 0.31 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3fgh h LEU 140 Cb 0.30 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3fgh h LEU 140 CO -0.25 1.06 0.52 0.50 0.09 0.00 0.00 178.44 180.37 3fgh h LYS 141 N 0.98 0.96 -0.12 1.13 3.64 -0.99 -1.78 116.57 120.39 3fgh h LYS 141 Ca 0.18 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.30 3fgh h LYS 141 Cb 0.50 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3fgh h LYS 141 CO 0.02 0.64 -0.76 1.79 -2.27 0.00 0.00 179.45 178.86 3fgh h THR 142 N 0.99 1.32 0.00 1.00 1.35 -1.10 -2.63 112.91 113.84 3fgh h THR 142 Ca 0.35 -2.05 -0.07 0.00 -0.55 0.00 0.00 66.41 64.08 3fgh h THR 142 Cb 0.09 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 3fgh h THR 142 CO -0.14 0.64 -0.33 -0.37 -0.25 0.00 0.00 175.52 175.06 3fgh h VAL 143 N 0.42 0.70 -0.52 6.82 -1.51 -1.21 0.74 116.25 121.68 3fgh h VAL 143 Ca -0.04 -1.54 -0.12 0.00 -1.23 0.00 0.00 66.70 63.77 3fgh h VAL 143 Cb 1.37 2.01 -0.02 0.00 -2.13 0.00 0.00 31.29 32.52 3fgh h VAL 143 CO 0.15 0.33 -0.14 0.11 -1.23 0.00 0.00 177.57 176.79 3fgh h LYS 144 N 0.00 1.01 -0.16 5.19 1.57 -1.34 -1.40 116.57 121.44 3fgh h LYS 144 Ca -0.00 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3fgh h LYS 144 Cb 0.98 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 3fgh h LYS 144 CO 0.04 1.07 0.09 0.93 -0.57 0.00 0.00 179.45 181.01 3fgh h GLU 145 N 0.89 0.22 -0.49 3.15 5.08 -1.07 -2.98 114.58 119.38 3fgh h GLU 145 Ca 0.13 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3fgh h GLU 145 Cb 0.70 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 3fgh h GLU 145 CO 0.05 0.22 0.29 -0.91 -1.00 0.00 0.00 179.01 177.66 3fgh h ASN 146 N 0.16 0.47 -0.89 1.42 2.35 -0.81 -1.27 115.58 117.01 3fgh h ASN 146 Ca 0.06 0.01 0.18 0.00 -0.55 0.00 0.00 56.30 56.00 3fgh h ASN 146 Cb 0.06 -0.09 -0.11 0.00 0.05 0.00 0.00 38.32 38.23 3fgh h ASN 146 CO -0.01 0.33 0.45 -0.25 -1.65 0.00 0.00 177.43 176.30 3fgh h TRP 147 N 0.58 0.78 0.00 1.19 2.91 -1.28 -1.48 115.95 118.65 3fgh h TRP 147 Ca 0.20 0.04 -0.03 0.00 1.13 0.00 0.00 58.89 60.23 3fgh h TRP 147 Cb 0.02 -0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 28.46 3fgh h TRP 147 CO -0.07 0.10 -0.12 0.87 -1.03 0.00 0.00 178.44 178.19 3fgh h LYS 148 N 0.56 0.00 -0.41 2.65 1.57 -1.07 -3.08 116.57 116.79 3fgh h LYS 148 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 3fgh h LYS 148 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3fgh h LYS 148 CO -0.43 0.12 0.00 0.09 -0.57 0.00 0.00 179.45 178.66 3fgh n ASN 149 N -4.19 3.47 -4.69 0.86 5.03 -0.60 -5.00 115.26 110.14 3fgh n ASN 149 Ca -0.02 -2.26 -0.38 0.00 0.87 0.00 0.00 54.58 52.78 3fgh n ASN 149 Cb 0.20 -0.37 0.05 0.00 -1.02 0.00 0.00 39.78 38.65 3fgh n ASN 149 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3fgh n LEU 150 N 0.51 5.01 -4.71 3.41 4.77 -0.94 -5.00 117.00 120.04 3fgh n LEU 150 Ca 0.17 0.87 -0.31 0.00 -0.03 0.00 0.00 56.01 56.71 3fgh n LEU 150 Cb 0.60 -1.50 0.13 0.00 -2.33 0.00 0.00 43.42 40.33 3fgh n LEU 150 CO 0.12 -1.18 0.70 -0.94 -1.33 0.00 0.00 177.39 174.77 3fgh s SER 151 N -1.18 3.54 0.28 -1.43 1.04 -1.26 -4.84 113.70 109.86 3fgh s SER 151 Ca 0.77 2.11 -0.02 0.00 0.48 0.00 0.00 55.95 59.29 3fgh s SER 151 Cb -0.41 -2.56 0.43 0.00 0.10 0.00 0.00 66.02 63.58 3fgh s SER 151 CO 0.46 -2.69 1.92 0.44 0.98 0.00 0.00 173.24 174.35 3fgh h ASP 152 N -1.44 1.00 0.63 7.02 3.45 -1.99 -1.47 116.42 123.61 3fgh h ASP 152 Ca -0.44 -0.01 -0.16 0.00 0.43 0.00 0.00 57.03 56.85 3fgh h ASP 152 Cb 1.26 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.79 3fgh h ASP 152 CO 0.45 0.67 -0.75 0.77 -1.57 0.00 0.00 179.24 178.81 3fgh h SER 153 N 1.15 0.12 -0.21 6.45 4.64 -1.99 -0.49 113.55 123.22 3fgh h SER 153 Ca 0.38 -0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.46 3fgh h SER 153 Cb 0.07 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3fgh h SER 153 CO -0.13 0.82 -0.48 -0.08 -0.87 0.00 0.00 176.83 176.10 3fgh h GLU 154 N 0.06 0.70 -0.19 4.77 4.81 -1.84 -1.78 114.58 121.11 3fgh h GLU 154 Ca -0.02 -0.47 -0.10 0.00 -0.13 0.00 0.00 59.36 58.65 3fgh h GLU 154 Cb 1.32 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 3fgh h GLU 154 CO 0.11 1.09 -0.30 -0.22 -0.73 0.00 0.00 179.01 178.95 3fgh h LYS 155 N 0.41 0.37 -0.74 1.92 3.64 -1.17 -2.15 116.57 118.85 3fgh h LYS 155 Ca 0.00 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3fgh h LYS 155 Cb 1.09 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 3fgh h LYS 155 CO 0.10 0.64 0.47 1.49 -2.27 0.00 0.00 179.45 179.88 3fgh h GLU 156 N 0.33 0.88 -0.30 1.90 4.81 -0.98 -1.63 114.58 119.58 3fgh h GLU 156 Ca 0.04 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3fgh h GLU 156 Cb 0.70 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3fgh h GLU 156 CO 0.05 0.58 0.08 1.25 -0.73 0.00 0.00 179.01 180.24 3fgh h LEU 157 N 0.91 0.45 -1.03 1.64 5.85 -0.87 -0.08 115.31 122.17 3fgh h LEU 157 Ca 0.30 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3fgh h LEU 157 Cb 0.03 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3fgh h LEU 157 CO -0.11 0.55 0.66 1.88 -0.34 0.00 0.00 178.44 181.08 3fgh h TYR 158 N 0.32 1.25 -0.30 1.25 0.05 -1.27 -1.53 116.97 116.74 3fgh h TYR 158 Ca 0.09 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.74 3fgh h TYR 158 Cb 0.28 -0.42 -0.00 0.00 1.01 0.00 0.00 36.73 37.59 3fgh h TYR 158 CO 0.01 0.78 -0.45 0.82 -1.05 0.00 0.00 178.16 178.27 3fgh h ILE 159 N 1.34 1.28 -0.71 -2.88 2.04 -1.13 -2.23 117.51 115.22 3fgh h ILE 159 Ca 0.36 -1.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 3fgh h ILE 159 Cb -0.15 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 3fgh h ILE 159 CO -0.08 0.53 0.28 -0.61 0.00 0.00 0.00 178.15 178.27 3fgh h GLN 160 N 0.61 1.07 -0.69 2.37 5.75 -0.76 0.11 115.11 123.56 3fgh h GLN 160 Ca 0.03 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.30 3fgh h GLN 160 Cb 1.05 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.40 3fgh h GLN 160 CO 0.10 0.88 0.32 0.45 -2.65 0.00 0.00 178.83 177.94 3fgh h HIS 161 N 1.02 0.99 -0.58 3.99 3.86 -1.24 -1.35 115.15 121.83 3fgh h HIS 161 Ca 0.24 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.32 3fgh h HIS 161 Cb 0.22 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 3fgh h HIS 161 CO 0.02 0.74 0.07 0.00 0.86 0.00 0.00 177.93 179.62 3fgh h ALA 162 N 1.15 0.78 -0.82 2.45 0.00 -0.96 -2.36 119.26 119.50 3fgh h ALA 162 Ca 0.23 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3fgh h ALA 162 Cb 0.13 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 3fgh h ALA 162 CO -0.03 0.55 0.50 -0.22 0.00 0.00 0.00 179.25 180.05 3fgh h LYS 163 N 0.88 0.88 -0.71 0.00 3.64 -0.51 0.16 116.57 120.92 3fgh h LYS 163 Ca 0.17 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3fgh h LYS 163 Cb 0.46 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3fgh h LYS 163 CO 0.02 0.58 0.39 0.93 -2.27 0.00 0.00 179.45 179.10 3fgh h GLU 164 N 0.91 0.99 -0.44 1.90 5.08 -0.96 0.34 114.58 122.40 3fgh h GLU 164 Ca 0.36 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.52 3fgh h GLU 164 Cb 0.18 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3fgh h GLU 164 CO -0.18 0.73 -0.09 -0.44 -1.00 0.00 0.00 179.01 178.03 3fgh h ASP 165 N 0.98 0.76 -0.48 1.42 3.32 -0.83 -2.05 116.42 119.53 3fgh h ASP 165 Ca 0.25 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 3fgh h ASP 165 Cb 0.03 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3fgh h ASP 165 CO -0.04 0.88 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.87 3fgh h GLU 166 N 0.70 0.98 -0.63 3.56 5.08 -0.43 -1.00 114.58 122.85 3fgh h GLU 166 Ca 0.12 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3fgh h GLU 166 Cb 0.57 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3fgh h GLU 166 CO 0.03 1.06 0.35 1.15 -1.00 0.00 0.00 179.01 180.61 3fgh h THR 167 N 0.86 1.20 -0.42 1.13 2.02 -0.73 0.81 112.91 117.79 3fgh h THR 167 Ca 0.12 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3fgh h THR 167 Cb 0.73 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3fgh h THR 167 CO 0.06 0.21 0.27 -0.09 0.37 0.00 0.00 175.52 176.34 3fgh h ARG 168 N 0.85 0.55 -0.77 6.66 2.43 -1.10 -1.12 114.38 121.88 3fgh h ARG 168 Ca 0.22 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 3fgh h ARG 168 Cb 0.02 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 3fgh h ARG 168 CO -0.04 0.37 0.48 -0.92 -1.51 0.00 0.00 179.97 178.35 3fgh h TYR 169 N 0.56 0.89 -0.39 2.20 3.20 -0.72 -0.01 116.97 122.71 3fgh h TYR 169 Ca 0.15 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3fgh h TYR 169 Cb -0.06 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 3fgh h TYR 169 CO -0.05 0.49 0.25 0.45 -1.64 0.00 0.00 178.16 177.66 3fgh h HIS 170 N 0.91 0.46 -0.50 -3.82 3.86 -0.38 0.40 115.15 116.09 3fgh h HIS 170 Ca 0.32 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.54 3fgh h HIS 170 Cb 0.06 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 3fgh h HIS 170 CO -0.04 0.28 0.31 -0.91 0.86 0.00 0.00 177.93 178.43 3fgh h ASN 171 N 0.50 0.59 -0.76 2.45 2.35 -0.70 -2.14 115.58 117.87 3fgh h ASN 171 Ca 0.15 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3fgh h ASN 171 Cb -0.03 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 3fgh h ASN 171 CO -0.05 0.46 0.34 -0.33 -1.65 0.00 0.00 177.43 176.20 3fgh h GLU 172 N 0.67 1.13 0.00 0.81 5.08 -0.63 -1.36 114.58 120.28 3fgh h GLU 172 Ca 0.18 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3fgh h GLU 172 Cb -0.03 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3fgh h GLU 172 CO -0.04 0.89 -0.17 0.52 -1.00 0.00 0.00 179.01 179.21 3fgh h MET 173 N 1.11 0.00 0.00 2.33 2.86 -0.65 0.12 114.93 120.70 3fgh h MET 173 Ca 0.26 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.68 3fgh h MET 173 Cb 0.16 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 3fgh h MET 173 CO -0.03 0.17 -1.24 0.87 1.06 0.00 0.00 176.91 177.75 3fgh h LYS 174 N 0.00 0.00 -0.09 1.72 1.57 -0.80 -3.35 116.57 115.62 3fgh h LYS 174 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fgh h LYS 174 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3fgh h LYS 174 CO 0.02 0.68 0.00 -1.13 -0.57 0.00 0.00 179.45 178.46 3fgh n SER 175 N -3.18 2.90 -4.75 0.86 3.41 -0.57 -4.99 113.62 107.31 3fgh n SER 175 Ca -0.07 -1.91 -0.41 0.00 -0.26 0.00 0.00 58.87 56.22 3fgh n SER 175 Cb 0.94 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.83 3fgh n SER 175 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3fgh s TRP 176 N -1.74 3.16 0.00 7.33 -0.00 0.40 -5.05 118.94 123.04 3fgh s TRP 176 Ca 0.27 1.24 0.00 0.00 -0.00 0.00 0.00 56.10 57.62 3fgh s TRP 176 Cb 0.19 -3.66 0.00 0.00 -0.00 0.00 0.00 33.47 30.00 3fgh s TRP 176 CO 0.27 -2.00 0.47 0.00 -0.00 0.00 0.00 176.95 175.69