#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkd s LYS 115 N 0.00 2.01 0.34 1.96 -2.85 -1.26 -4.53 119.74 115.40 1gkd s LYS 115 Ca 0.00 -1.28 -0.26 0.00 -1.00 0.00 0.00 55.97 53.43 1gkd s LYS 115 Cb 0.00 0.60 -0.10 0.00 -2.06 0.00 0.00 37.83 36.27 1gkd s LYS 115 CO 0.00 -0.92 0.97 -1.58 0.10 0.00 0.00 175.35 173.92 1gkd s TRP 116 N -3.05 3.60 -2.67 1.78 0.52 -1.26 -4.87 118.94 112.99 1gkd s TRP 116 Ca 0.15 1.75 0.26 0.00 0.02 0.00 0.00 56.10 58.28 1gkd s TRP 116 Cb -0.05 -2.98 0.54 0.00 -1.15 0.00 0.00 33.47 29.83 1gkd s TRP 116 CO 0.10 0.01 1.45 0.72 0.02 0.00 0.00 176.95 179.26 1gkd n HIS 117 N 0.46 0.00 -4.30 -1.98 8.25 -1.26 -4.90 115.22 111.49 1gkd n HIS 117 Ca 0.02 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.30 1gkd n HIS 117 Cb 0.50 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.50 1gkd n HIS 117 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1gkd s HIS 118 N -2.06 1.60 -0.54 4.41 0.00 -1.26 -5.06 115.29 112.38 1gkd s HIS 118 Ca 0.31 -0.57 0.17 0.00 -3.00 0.00 0.00 55.06 51.97 1gkd s HIS 118 Cb 0.20 -0.78 -0.21 0.00 -4.00 0.00 0.00 32.58 27.79 1gkd s HIS 118 CO 0.35 0.27 0.61 0.72 -1.00 0.00 0.00 174.74 175.68 1gkd n HIS 119 N 0.01 0.00 -3.06 0.38 -0.00 -1.26 -4.71 115.22 106.58 1gkd n HIS 119 Ca -0.11 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.17 1gkd n HIS 119 Cb 0.59 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 1gkd n HIS 119 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1gkd n ASN 120 N -1.64 5.48 -4.76 0.41 6.94 -1.26 -1.47 115.26 118.96 1gkd n ASN 120 Ca 0.01 -3.07 -0.40 0.00 -0.02 0.00 0.00 54.58 51.11 1gkd n ASN 120 Cb 0.33 -1.45 -0.05 0.00 -2.36 0.00 0.00 39.78 36.25 1gkd n ASN 120 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1gkd s ILE 121 N -0.26 3.68 0.12 1.53 1.01 -0.82 -4.90 121.20 121.56 1gkd s ILE 121 Ca 0.36 1.64 0.09 0.00 0.00 0.00 0.00 60.65 62.75 1gkd s ILE 121 Cb -0.04 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1gkd s ILE 121 CO -0.02 0.35 -0.19 0.42 0.00 0.00 0.00 174.94 175.51 1gkd s THR 122 N -1.23 2.80 0.04 2.92 -4.23 -1.26 -0.40 115.64 114.27 1gkd s THR 122 Ca 0.45 -1.55 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 1gkd s THR 122 Cb -0.29 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 1gkd s THR 122 CO 0.37 0.08 -0.06 -0.72 -0.54 0.00 0.00 174.62 173.75 1gkd s TYR 123 N -1.19 0.51 -0.10 3.99 1.13 -0.40 -1.14 117.35 120.16 1gkd s TYR 123 Ca 0.18 -0.57 -0.00 0.00 -1.41 0.00 0.00 57.07 55.26 1gkd s TYR 123 Cb -0.10 -0.33 0.02 0.00 -1.10 0.00 0.00 41.96 40.46 1gkd s TYR 123 CO 0.10 -0.15 -0.06 -0.46 -2.51 0.00 0.00 175.55 172.47 1gkd s TRP 124 N -1.71 1.32 -0.84 -3.49 -0.00 -0.10 -1.14 118.94 112.97 1gkd s TRP 124 Ca -0.10 -0.61 -0.20 0.00 -0.00 0.00 0.00 56.10 55.19 1gkd s TRP 124 Cb -0.08 -1.13 0.11 0.00 -0.00 0.00 0.00 33.47 32.37 1gkd s TRP 124 CO -0.01 -0.46 1.05 0.42 -0.00 0.00 0.00 176.95 177.95 1gkd s ILE 125 N 1.67 4.64 0.15 5.86 1.01 -1.26 -0.14 121.20 133.13 1gkd s ILE 125 Ca 0.03 -1.23 -0.16 0.00 0.00 0.00 0.00 60.65 59.29 1gkd s ILE 125 Cb -0.13 -4.73 0.02 0.00 0.01 0.00 0.00 42.46 37.62 1gkd s ILE 125 CO -0.07 -1.47 1.76 -0.61 0.00 0.00 0.00 174.94 174.55 1gkd h GLN 126 N 9.04 0.59 0.00 2.79 4.15 -1.66 -3.47 115.11 126.55 1gkd h GLN 126 Ca 0.01 -0.07 -0.18 0.00 0.77 0.00 0.00 58.65 59.19 1gkd h GLN 126 Cb 1.04 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.57 1gkd h GLN 126 CO 1.12 0.47 -0.07 0.27 -1.93 0.00 0.00 178.83 178.69 1gkd n ASN 127 N -4.72 -1.04 -4.41 -0.69 0.23 -1.25 -5.08 115.26 98.30 1gkd n ASN 127 Ca 0.01 -2.32 -0.21 0.00 -0.53 0.00 0.00 54.58 51.53 1gkd n ASN 127 Cb 0.08 1.90 -0.10 0.00 -2.08 0.00 0.00 39.78 39.57 1gkd n ASN 127 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1gkd s TYR 128 N -3.61 1.88 0.16 -2.53 1.51 -1.26 -4.63 117.35 108.87 1gkd s TYR 128 Ca 0.20 -1.01 -0.02 0.00 -1.01 0.00 0.00 57.07 55.23 1gkd s TYR 128 Cb -0.01 -1.21 -0.05 0.00 -0.11 0.00 0.00 41.96 40.59 1gkd s TYR 128 CO 0.14 -0.07 0.35 0.45 -1.11 0.00 0.00 175.55 175.31 1gkd s SER 129 N -3.46 6.41 0.00 2.29 0.15 -1.26 -4.86 113.70 112.97 1gkd s SER 129 Ca 0.36 0.42 0.30 0.00 0.70 0.00 0.00 55.95 57.73 1gkd s SER 129 Cb 0.08 -2.02 1.52 0.00 -1.71 0.00 0.00 66.02 63.89 1gkd s SER 129 CO 0.15 0.03 2.03 -0.62 1.20 0.00 0.00 173.24 176.02 1gkd n GLU 130 N -0.28 0.77 0.16 5.44 1.02 -1.26 -3.90 120.64 122.59 1gkd n GLU 130 Ca -0.04 -0.14 0.05 0.00 -0.02 0.00 0.00 57.16 57.01 1gkd n GLU 130 Cb 0.53 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.51 1gkd n GLU 130 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1gkd h ASP 131 N 0.34 0.00 -5.07 1.62 3.32 -1.94 -3.47 116.42 111.22 1gkd h ASP 131 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1gkd h ASP 131 Cb 0.23 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.64 1gkd h ASP 131 CO 0.00 0.36 -0.68 -0.76 -1.72 0.00 0.00 179.24 176.43 1gkd s LEU 132 N -6.33 2.46 0.55 1.55 1.43 -1.25 -4.98 118.68 112.11 1gkd s LEU 132 Ca 0.04 -1.01 -0.19 0.00 -1.03 0.00 0.00 54.13 51.94 1gkd s LEU 132 Cb 0.07 0.13 -0.05 0.00 0.03 0.00 0.00 46.19 46.36 1gkd s LEU 132 CO 0.73 -0.57 1.13 -2.84 0.23 0.00 0.00 176.35 175.03 1gkd s PRO 133 N -3.90 3.29 0.21 1.29 0.02 -1.26 -4.79 135.00 129.86 1gkd s PRO 133 Ca 0.09 1.61 -0.09 0.00 0.02 0.00 0.00 61.00 62.63 1gkd s PRO 133 Cb 0.07 -2.00 0.31 0.00 0.02 0.00 0.00 34.50 32.90 1gkd s PRO 133 CO -0.08 -0.90 1.71 0.00 -0.33 0.00 0.00 177.00 177.41 1gkd h ARG 134 N 1.10 0.28 -0.80 5.54 3.08 -2.00 -1.79 114.38 119.79 1gkd h ARG 134 Ca -0.50 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.55 1gkd h ARG 134 Cb 1.26 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.21 1gkd h ARG 134 CO 0.57 0.19 0.53 0.00 -1.07 0.00 0.00 179.97 180.18 1gkd h ALA 135 N 1.48 1.44 -0.37 0.04 0.00 -2.00 -0.03 119.26 119.83 1gkd h ALA 135 Ca 0.32 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1gkd h ALA 135 Cb 0.47 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1gkd h ALA 135 CO -0.39 0.51 -0.37 0.28 0.00 0.00 0.00 179.25 179.28 1gkd h VAL 136 N 1.07 1.28 -0.15 0.00 2.07 -1.73 -2.57 116.25 116.22 1gkd h VAL 136 Ca 0.30 -1.54 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 1gkd h VAL 136 Cb -0.10 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1gkd h VAL 136 CO -0.07 0.51 -0.09 0.40 0.02 0.00 0.00 177.57 178.35 1gkd h ILE 137 N 0.71 1.32 -0.37 4.57 2.04 -0.80 -1.44 117.51 123.54 1gkd h ILE 137 Ca 0.06 -1.16 0.06 0.00 1.00 0.00 0.00 64.86 64.82 1gkd h ILE 137 Cb 0.95 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.75 1gkd h ILE 137 CO 0.09 0.34 0.07 0.44 0.00 0.00 0.00 178.15 179.09 1gkd h ASP 138 N -0.02 -0.00 -0.62 1.72 3.32 -1.05 -1.98 116.42 117.78 1gkd h ASP 138 Ca 0.03 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1gkd h ASP 138 Cb 0.57 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 1gkd h ASP 138 CO 0.02 0.04 0.39 -0.78 -1.72 0.00 0.00 179.24 177.19 1gkd h ASP 139 N 0.19 0.73 -0.37 6.45 3.58 -1.41 -1.56 116.42 124.04 1gkd h ASP 139 Ca 0.18 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1gkd h ASP 139 Cb 0.21 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1gkd h ASP 139 CO -0.24 0.56 0.24 0.00 -2.88 0.00 0.00 179.24 176.92 1gkd h ALA 140 N 1.21 0.47 -0.53 -0.78 0.00 -0.87 -0.36 119.26 118.40 1gkd h ALA 140 Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1gkd h ALA 140 Cb -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1gkd h ALA 140 CO -0.05 -0.08 0.17 0.74 0.00 0.00 0.00 179.25 180.04 1gkd h PHE 141 N 0.50 0.84 -0.41 0.00 0.04 -1.18 -1.84 116.94 114.89 1gkd h PHE 141 Ca 0.14 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1gkd h PHE 141 Cb -0.06 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 37.83 1gkd h PHE 141 CO -0.05 0.71 0.22 0.00 -0.60 0.00 0.00 178.31 178.59 1gkd h ALA 142 N 1.03 0.53 -0.22 2.45 0.00 -0.98 -1.42 119.26 120.65 1gkd h ALA 142 Ca 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1gkd h ALA 142 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1gkd h ALA 142 CO -0.01 0.06 -0.03 0.00 0.00 0.00 0.00 179.25 179.27 1gkd h ARG 143 N 0.53 0.33 -0.46 0.00 3.08 -0.96 -0.91 114.38 115.99 1gkd h ARG 143 Ca 0.14 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 1gkd h ARG 143 Cb 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1gkd h ARG 143 CO -0.02 0.38 -0.18 0.00 -1.07 0.00 0.00 179.97 179.08 1gkd h ALA 144 N 1.66 0.65 -0.26 0.04 0.00 -0.82 -2.77 119.26 117.75 1gkd h ALA 144 Ca 0.07 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1gkd h ALA 144 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1gkd h ALA 144 CO 0.01 0.61 -0.35 0.74 0.00 0.00 0.00 179.25 180.25 1gkd h PHE 145 N 0.79 0.66 -0.06 0.00 0.04 -0.81 -3.06 116.94 114.49 1gkd h PHE 145 Ca 0.11 -0.18 0.02 0.00 2.80 0.00 0.00 57.97 60.72 1gkd h PHE 145 Cb 0.75 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.75 1gkd h PHE 145 CO 0.05 0.84 0.05 0.00 -0.60 0.00 0.00 178.31 178.65 1gkd h ALA 146 N 1.14 2.05 -0.34 2.45 0.00 -0.91 -2.28 119.26 121.38 1gkd h ALA 146 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1gkd h ALA 146 Cb 0.84 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1gkd h ALA 146 CO 0.07 -0.07 0.21 -0.07 0.00 0.00 0.00 179.25 179.39 1gkd h LEU 147 N 0.01 0.40 -0.19 0.00 3.38 -1.39 -2.38 115.31 115.12 1gkd h LEU 147 Ca 0.03 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1gkd h LEU 147 Cb 0.12 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1gkd h LEU 147 CO -0.00 0.31 -0.65 -0.50 0.09 0.00 0.00 178.44 177.69 1gkd h TRP 148 N 0.44 1.02 0.00 1.13 4.06 -1.56 -3.13 115.95 117.91 1gkd h TRP 148 Ca 0.12 -0.42 -0.03 0.00 2.06 0.00 0.00 58.89 60.62 1gkd h TRP 148 Cb -0.02 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 27.97 1gkd h TRP 148 CO -0.05 1.24 -0.13 0.66 -3.56 0.00 0.00 178.44 176.61 1gkd h SER 149 N 0.51 0.00 0.02 -3.49 4.64 -1.45 -2.57 113.55 111.21 1gkd h SER 149 Ca -0.03 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 1gkd h SER 149 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1gkd h SER 149 CO 0.14 0.13 -0.11 0.00 -0.87 0.00 0.00 176.83 176.12 1gkd h ALA 150 N 1.87 1.56 -0.32 5.18 0.00 -1.36 -3.02 119.26 123.16 1gkd h ALA 150 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1gkd h ALA 150 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1gkd h ALA 150 CO 0.02 0.32 0.00 1.33 0.00 0.00 0.00 179.25 180.92 1gkd n VAL 151 N -4.30 1.93 -4.05 0.00 0.24 -0.98 -5.01 118.33 106.15 1gkd n VAL 151 Ca -0.01 -1.58 -0.11 0.00 -2.04 0.00 0.00 64.34 60.60 1gkd n VAL 151 Cb 0.25 -0.03 -0.05 0.00 -1.47 0.00 0.00 33.84 32.54 1gkd n VAL 151 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1gkd s THR 152 N -2.27 0.00 -2.09 3.34 -4.23 -1.14 -4.76 115.64 104.48 1gkd s THR 152 Ca 0.38 -1.55 0.14 0.00 -1.18 0.00 0.00 61.69 59.48 1gkd s THR 152 Cb 0.28 -2.40 0.35 0.00 1.34 0.00 0.00 72.50 72.07 1gkd s THR 152 CO 0.12 0.00 1.39 -0.81 -0.54 0.00 0.00 174.62 174.78 1gkd n PRO 153 N -0.42 1.51 -2.34 3.99 -0.04 -1.26 -4.79 135.00 131.64 1gkd n PRO 153 Ca -0.00 -0.78 -0.33 0.00 -0.04 0.00 0.00 63.50 62.34 1gkd n PRO 153 Cb 0.62 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.79 1gkd n PRO 153 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1gkd s LEU 154 N -1.29 3.69 0.12 1.53 1.43 -1.26 -4.91 118.68 117.98 1gkd s LEU 154 Ca 0.23 1.83 0.03 0.00 -1.03 0.00 0.00 54.13 55.20 1gkd s LEU 154 Cb 0.12 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 1gkd s LEU 154 CO 0.18 -0.89 -0.09 0.42 0.23 0.00 0.00 176.35 176.20 1gkd s THR 155 N -2.25 0.96 -0.08 5.49 -4.23 -0.54 -4.62 115.64 110.37 1gkd s THR 155 Ca 0.65 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1gkd s THR 155 Cb -0.15 -1.64 0.02 0.00 1.34 0.00 0.00 72.50 72.07 1gkd s THR 155 CO 0.28 -0.72 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.21 1gkd s PHE 156 N -3.12 1.12 -0.13 3.99 0.08 -1.26 -1.95 117.98 116.72 1gkd s PHE 156 Ca 0.12 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 56.75 1gkd s PHE 156 Cb 0.02 -0.96 0.00 0.00 -0.57 0.00 0.00 43.02 41.51 1gkd s PHE 156 CO -0.01 -0.34 -0.22 0.99 -0.10 0.00 0.00 175.22 175.54 1gkd s THR 157 N 1.30 2.15 -0.06 0.64 2.01 0.46 -5.00 115.64 117.15 1gkd s THR 157 Ca -0.04 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.70 1gkd s THR 157 Cb -0.14 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 1gkd s THR 157 CO -0.03 0.55 1.02 -0.60 -0.69 0.00 0.00 174.62 174.88 1gkd s ARG 158 N 0.62 4.46 0.47 4.92 3.52 -1.26 -1.28 118.95 130.41 1gkd s ARG 158 Ca -0.11 1.44 0.02 0.00 -0.13 0.00 0.00 55.73 56.95 1gkd s ARG 158 Cb -0.16 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.70 1gkd s ARG 158 CO 0.02 -0.23 0.06 0.14 -0.81 0.00 0.00 175.30 174.48 1gkd s VAL 159 N 1.64 0.89 -0.16 7.11 -7.23 -0.30 -4.92 120.40 117.43 1gkd s VAL 159 Ca 0.51 -2.00 0.16 0.00 -1.81 0.00 0.00 61.98 58.84 1gkd s VAL 159 Cb -0.20 -2.22 0.43 0.00 0.56 0.00 0.00 36.38 34.95 1gkd s VAL 159 CO 0.22 0.00 1.19 -1.22 -0.31 0.00 0.00 175.10 174.99 1gkd n TYR 160 N -1.12 0.44 -4.05 2.82 4.02 -1.26 -4.44 117.16 113.57 1gkd n TYR 160 Ca -0.14 -1.34 -0.08 0.00 -0.01 0.00 0.00 57.90 56.34 1gkd n TYR 160 Cb 0.66 -0.23 -0.10 0.00 -0.02 0.00 0.00 39.34 39.65 1gkd n TYR 160 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1gkd s SER 161 N -2.96 0.41 0.00 7.72 1.04 -1.26 -5.01 113.70 113.64 1gkd s SER 161 Ca 0.38 -0.88 0.03 0.00 0.48 0.00 0.00 55.95 55.95 1gkd s SER 161 Cb 0.38 0.20 0.16 0.00 0.10 0.00 0.00 66.02 66.86 1gkd s SER 161 CO -0.08 -0.57 0.61 -1.14 0.98 0.00 0.00 173.24 173.04 1gkd n ARG 162 N 0.32 0.09 0.00 4.02 3.00 -1.26 -1.35 116.66 121.48 1gkd n ARG 162 Ca -0.16 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.84 1gkd n ARG 162 Cb 0.60 -1.46 0.64 0.00 0.00 0.00 0.00 32.46 32.24 1gkd n ARG 162 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1gkd n ASP 163 N -0.96 0.65 -4.76 6.15 8.00 -1.26 -4.90 116.55 119.47 1gkd n ASP 163 Ca 0.02 -0.88 -0.35 0.00 0.71 0.00 0.00 54.79 54.30 1gkd n ASP 163 Cb 0.01 -0.03 0.04 0.00 -0.02 0.00 0.00 41.12 41.12 1gkd n ASP 163 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gkd s ALA 164 N -2.28 2.51 -0.02 2.24 0.00 -0.46 -4.96 121.76 118.78 1gkd s ALA 164 Ca 0.34 0.81 -0.24 0.00 0.00 0.00 0.00 51.96 52.88 1gkd s ALA 164 Cb 0.21 -3.39 -0.20 0.00 0.00 0.00 0.00 23.12 19.73 1gkd s ALA 164 CO 0.43 -1.18 1.17 -0.44 0.00 0.00 0.00 175.76 175.73 1gkd h ASP 165 N 0.57 0.21 -3.60 0.00 3.32 -1.66 -3.42 116.42 111.84 1gkd h ASP 165 Ca -0.49 -0.63 -0.70 0.00 0.02 0.00 0.00 57.03 55.23 1gkd h ASP 165 Cb 1.27 -0.06 -0.30 0.00 0.22 0.00 0.00 39.33 40.47 1gkd h ASP 165 CO 0.55 0.80 -0.57 -0.63 -1.72 0.00 0.00 179.24 177.66 1gkd s ILE 166 N -3.71 3.77 -0.16 0.35 1.01 -0.29 -4.51 121.20 117.65 1gkd s ILE 166 Ca -0.15 -1.33 -0.15 0.00 0.00 0.00 0.00 60.65 59.02 1gkd s ILE 166 Cb 0.02 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1gkd s ILE 166 CO 0.73 -0.32 0.33 -0.69 0.00 0.00 0.00 174.94 174.99 1gkd s VAL 167 N 1.36 5.28 -0.15 2.92 1.01 -1.26 -0.93 120.40 128.63 1gkd s VAL 167 Ca 0.00 0.62 -0.05 0.00 0.00 0.00 0.00 61.98 62.55 1gkd s VAL 167 Cb -0.21 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1gkd s VAL 167 CO 0.01 0.36 0.02 -0.63 0.00 0.00 0.00 175.10 174.87 1gkd s ILE 168 N 0.61 4.43 -0.04 2.22 1.01 0.80 -1.71 121.20 128.53 1gkd s ILE 168 Ca 0.18 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.58 1gkd s ILE 168 Cb -0.13 -2.95 0.01 0.00 0.01 0.00 0.00 42.46 39.40 1gkd s ILE 168 CO 0.05 0.51 0.17 -1.58 0.00 0.00 0.00 174.94 174.10 1gkd s GLN 169 N 0.01 0.35 -0.11 2.79 0.74 -0.86 -1.49 119.66 121.08 1gkd s GLN 169 Ca 0.04 -0.03 -0.03 0.00 0.05 0.00 0.00 55.36 55.39 1gkd s GLN 169 Cb -0.13 0.15 -0.03 0.00 1.10 0.00 0.00 33.01 34.11 1gkd s GLN 169 CO 0.02 -0.07 -0.01 -0.06 -0.55 0.00 0.00 175.29 174.62 1gkd s PHE 170 N -0.57 3.13 0.23 1.67 0.40 -1.26 -1.11 117.98 120.46 1gkd s PHE 170 Ca -0.07 0.06 -0.15 0.00 -0.60 0.00 0.00 56.93 56.17 1gkd s PHE 170 Cb -0.04 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.64 1gkd s PHE 170 CO 0.01 0.31 0.51 0.20 0.70 0.00 0.00 175.22 176.95 1gkd s GLY 171 N -0.45 0.23 0.00 4.36 0.00 -0.59 -4.93 107.32 105.93 1gkd s GLY 171 Ca 0.08 -0.58 0.05 0.00 0.00 0.00 0.00 44.72 44.27 1gkd s GLY 171 CO 0.02 -0.45 -0.14 -1.34 0.00 0.00 0.00 173.10 171.19 1gkd s VAL 172 N -3.95 1.14 0.00 1.40 -7.23 -1.26 -1.10 120.40 109.40 1gkd s VAL 172 Ca 0.16 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.63 1gkd s VAL 172 Cb -0.01 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 35.96 1gkd s VAL 172 CO 0.04 0.25 0.00 0.00 -0.31 0.00 0.00 175.10 175.08 1gkd n ALA 173 N 2.55 0.00 -2.30 1.32 0.00 -1.26 -4.32 120.51 116.50 1gkd n ALA 173 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1gkd n ALA 173 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 1gkd n ALA 173 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1gkd s GLU 174 N 0.00 4.31 -0.01 0.00 2.02 -1.26 -1.62 118.70 122.14 1gkd s GLU 174 Ca 0.00 1.87 0.15 0.00 0.02 0.00 0.00 54.97 57.01 1gkd s GLU 174 Cb 0.00 -3.54 0.25 0.00 0.10 0.00 0.00 34.13 30.93 1gkd s GLU 174 CO 0.00 -0.51 1.10 -2.39 0.02 0.00 0.00 175.26 173.47 1gkd n HIS 175 N 5.19 0.00 0.00 1.61 1.44 -1.26 -5.02 115.22 117.18 1gkd n HIS 175 Ca 0.12 -0.32 0.00 0.00 -2.01 0.00 0.00 57.72 55.51 1gkd n HIS 175 Cb 0.44 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.44 1gkd n HIS 175 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1gkd n GLY 176 N 0.22 2.15 0.38 -1.39 0.00 -1.26 -5.06 105.19 100.23 1gkd n GLY 176 Ca 0.04 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 1gkd n GLY 176 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gkd n ASP 177 N 0.00 -1.36 -2.45 1.61 5.68 -1.26 -4.89 116.55 113.87 1gkd n ASP 177 Ca 0.00 -0.47 -0.35 0.00 -0.50 0.00 0.00 54.79 53.47 1gkd n ASP 177 Cb 0.00 -0.11 0.06 0.00 -1.14 0.00 0.00 41.12 39.93 1gkd n ASP 177 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gkd n GLY 178 N 1.19 5.63 2.50 6.12 0.00 -1.26 -4.69 105.19 114.68 1gkd n GLY 178 Ca 0.02 -2.26 -0.23 0.00 0.00 0.00 0.00 46.02 43.55 1gkd n GLY 178 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gkd s TYR 179 N -3.70 0.47 0.55 1.61 1.51 -1.26 -5.14 117.35 111.38 1gkd s TYR 179 Ca 0.59 -1.78 -0.18 0.00 -1.01 0.00 0.00 57.07 54.69 1gkd s TYR 179 Cb 0.47 -0.67 -0.06 0.00 -0.11 0.00 0.00 41.96 41.59 1gkd s TYR 179 CO -0.12 -0.91 1.07 -1.25 -1.11 0.00 0.00 175.55 173.23 1gkd s PRO 180 N 0.50 3.46 0.67 -1.71 0.04 -1.26 -4.82 135.00 131.88 1gkd s PRO 180 Ca 0.28 1.37 -0.10 0.00 0.04 0.00 0.00 61.00 62.60 1gkd s PRO 180 Cb -0.03 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1gkd s PRO 180 CO -0.12 -0.71 1.04 -0.06 0.04 0.00 0.00 177.00 177.18 1gkd s PHE 181 N -2.11 3.34 -0.47 0.56 0.08 -0.64 -4.93 117.98 113.81 1gkd s PHE 181 Ca 0.67 0.96 0.03 0.00 0.12 0.00 0.00 56.93 58.72 1gkd s PHE 181 Cb -0.18 -2.94 0.48 0.00 -0.57 0.00 0.00 43.02 39.80 1gkd s PHE 181 CO 0.29 -1.03 1.66 -0.40 -0.10 0.00 0.00 175.22 175.63 1gkd n ASP 182 N -2.86 5.66 -0.69 1.36 5.68 -1.26 -4.13 116.55 120.30 1gkd n ASP 182 Ca 0.06 -3.77 0.02 0.00 -0.50 0.00 0.00 54.79 50.61 1gkd n ASP 182 Cb 0.57 -0.70 -0.01 0.00 -1.14 0.00 0.00 41.12 39.84 1gkd n ASP 182 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gkd n GLY 183 N -0.90 -1.47 3.53 6.12 0.00 -1.26 -4.82 105.19 106.39 1gkd n GLY 183 Ca 0.52 -1.17 -0.47 0.00 0.00 0.00 0.00 46.02 44.89 1gkd n GLY 183 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1gkd n LYS 184 N -1.58 0.85 -1.38 1.61 4.81 -1.26 -4.72 118.16 116.48 1gkd n LYS 184 Ca 0.00 0.30 0.19 0.00 -0.87 0.00 0.00 58.31 57.93 1gkd n LYS 184 Cb 0.07 -1.59 -0.05 0.00 0.02 0.00 0.00 35.03 33.49 1gkd n LYS 184 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1gkd n ASP 185 N 1.63 -8.34 0.00 3.14 8.00 -1.26 -4.96 116.55 114.76 1gkd n ASP 185 Ca 0.14 1.49 0.00 0.00 0.71 0.00 0.00 54.79 57.12 1gkd n ASP 185 Cb 0.27 -4.20 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 1gkd n ASP 185 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gkd n GLY 186 N -4.06 0.44 3.67 0.44 0.00 -1.26 -4.79 105.19 99.63 1gkd n GLY 186 Ca 0.01 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 1gkd n GLY 186 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gkd s LEU 187 N 0.00 4.37 -0.02 0.99 2.96 -1.26 -4.90 118.68 120.83 1gkd s LEU 187 Ca 0.00 2.48 0.00 0.00 -0.22 0.00 0.00 54.13 56.39 1gkd s LEU 187 Cb 0.00 -3.54 -0.26 0.00 0.50 0.00 0.00 46.19 42.88 1gkd s LEU 187 CO 0.00 -0.96 0.77 -0.07 -1.32 0.00 0.00 176.35 174.77 1gkd h LEU 188 N 9.75 0.30 -7.75 -0.68 3.38 -1.96 -3.44 115.31 114.90 1gkd h LEU 188 Ca -0.44 -0.46 0.25 0.00 0.09 0.00 0.00 57.88 57.32 1gkd h LEU 188 Cb 1.21 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 1gkd h LEU 188 CO 0.94 1.40 0.71 0.00 0.09 0.00 0.00 178.44 181.58 1gkd s ALA 189 N -2.61 -1.99 0.05 1.53 0.00 -1.26 -1.94 121.76 115.54 1gkd s ALA 189 Ca -0.09 0.06 -0.26 0.00 0.00 0.00 0.00 51.96 51.67 1gkd s ALA 189 Cb 0.07 0.69 0.07 0.00 0.00 0.00 0.00 23.12 23.95 1gkd s ALA 189 CO 0.83 -1.08 0.61 -3.38 0.00 0.00 0.00 175.76 172.74 1gkd s HIS 190 N -2.34 -0.56 0.25 0.00 -3.43 -0.84 -5.01 115.29 103.36 1gkd s HIS 190 Ca 0.21 0.66 0.01 0.00 -0.80 0.00 0.00 55.06 55.14 1gkd s HIS 190 Cb -0.00 0.45 -0.03 0.00 -1.43 0.00 0.00 32.58 31.57 1gkd s HIS 190 CO 0.01 -0.71 0.21 0.00 -2.00 0.00 0.00 174.74 172.25 1gkd s ALA 191 N -2.48 1.29 0.14 -1.38 0.00 -1.26 -1.04 121.76 117.03 1gkd s ALA 191 Ca -0.05 -1.77 0.10 0.00 0.00 0.00 0.00 51.96 50.25 1gkd s ALA 191 Cb -0.01 1.39 -0.04 0.00 0.00 0.00 0.00 23.12 24.47 1gkd s ALA 191 CO -0.02 -0.64 -0.24 -0.06 0.00 0.00 0.00 175.76 174.80 1gkd s PHE 192 N -3.88 2.16 0.80 0.00 0.40 -0.74 -4.96 117.98 111.77 1gkd s PHE 192 Ca 0.38 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 56.20 1gkd s PHE 192 Cb 0.05 -1.15 0.08 0.00 0.51 0.00 0.00 43.02 42.51 1gkd s PHE 192 CO 0.17 0.34 1.15 -2.14 0.70 0.00 0.00 175.22 175.45 1gkd s PRO 193 N -2.20 1.83 0.43 0.24 0.02 -1.26 -1.73 135.00 132.31 1gkd s PRO 193 Ca 0.14 1.52 -0.23 0.00 0.02 0.00 0.00 61.00 62.45 1gkd s PRO 193 Cb -0.09 -1.82 -0.12 0.00 0.02 0.00 0.00 34.50 32.49 1gkd s PRO 193 CO 0.06 -2.02 0.70 -2.30 -0.33 0.00 0.00 177.00 173.11 1gkd n PRO 194 N -3.41 0.79 -2.92 5.54 -0.02 -1.26 -1.53 135.00 132.19 1gkd n PRO 194 Ca 0.12 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1gkd n PRO 194 Cb 0.52 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1gkd n PRO 194 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gkd n GLY 195 N 1.60 -1.16 3.93 -1.23 0.00 -1.26 -4.77 105.19 102.30 1gkd n GLY 195 Ca 0.11 -1.44 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 1gkd n GLY 195 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gkd s PRO 196 N -1.90 2.83 6.87 1.61 0.04 -1.26 -4.53 135.00 138.65 1gkd s PRO 196 Ca 0.00 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1gkd s PRO 196 Cb 0.00 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1gkd s PRO 196 CO 0.00 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.78 1gkd n GLY 197 N -2.48 2.55 0.22 0.56 0.00 -1.26 -2.40 105.19 102.37 1gkd n GLY 197 Ca 0.05 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.88 1gkd n GLY 197 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gkd h ILE 198 N 0.00 0.00 -2.80 -0.61 2.10 -1.96 -3.44 117.51 110.79 1gkd h ILE 198 Ca 0.00 -0.26 -0.53 0.00 1.08 0.00 0.00 64.86 65.15 1gkd h ILE 198 Cb 0.00 1.09 0.07 0.00 -1.09 0.00 0.00 36.82 36.89 1gkd h ILE 198 CO 0.00 0.00 0.95 0.00 -1.08 0.00 0.00 178.15 178.02 1gkd n GLN 199 N -2.67 2.69 0.00 2.19 1.13 -1.01 -1.84 117.38 117.87 1gkd n GLN 199 Ca 0.00 0.97 0.00 0.00 -1.94 0.00 0.00 57.00 56.03 1gkd n GLN 199 Cb 0.20 -2.79 0.00 0.00 0.11 0.00 0.00 30.24 27.77 1gkd n GLN 199 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1gkd n GLY 200 N 3.36 1.92 3.78 1.08 0.00 -0.58 -4.23 105.19 110.53 1gkd n GLY 200 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1gkd n GLY 200 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gkd s ASP 201 N -1.98 4.46 -0.03 1.61 1.01 -0.76 -4.54 116.67 116.43 1gkd s ASP 201 Ca 0.00 1.47 0.00 0.00 0.71 0.00 0.00 52.55 54.73 1gkd s ASP 201 Cb 0.00 -2.22 0.03 0.00 1.01 0.00 0.00 42.92 41.74 1gkd s ASP 201 CO 0.00 -2.01 0.00 0.00 0.21 0.00 0.00 175.17 173.37 1gkd s ALA 202 N -3.06 0.37 0.04 5.23 0.00 -0.70 -1.79 121.76 121.85 1gkd s ALA 202 Ca 0.61 0.13 0.09 0.00 0.00 0.00 0.00 51.96 52.79 1gkd s ALA 202 Cb -0.15 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1gkd s ALA 202 CO 0.55 -0.12 -0.26 -1.01 0.00 0.00 0.00 175.76 174.92 1gkd s HIS 203 N 1.15 2.33 -0.07 0.00 3.76 -0.21 -2.04 115.29 120.22 1gkd s HIS 203 Ca -0.08 -0.41 0.05 0.00 -0.15 0.00 0.00 55.06 54.47 1gkd s HIS 203 Cb -0.13 -1.40 -0.00 0.00 1.11 0.00 0.00 32.58 32.15 1gkd s HIS 203 CO -0.02 0.12 -0.22 -0.06 -0.85 0.00 0.00 174.74 173.71 1gkd s PHE 204 N -0.80 2.25 -0.39 1.40 0.40 -0.27 -1.98 117.98 118.59 1gkd s PHE 204 Ca 0.12 -0.75 -0.29 0.00 -0.60 0.00 0.00 56.93 55.41 1gkd s PHE 204 Cb -0.10 -1.50 0.01 0.00 0.51 0.00 0.00 43.02 41.94 1gkd s PHE 204 CO 0.02 -0.27 1.40 0.34 0.70 0.00 0.00 175.22 177.41 1gkd s ASP 205 N 0.08 6.39 0.00 1.36 -1.08 -0.82 -1.54 116.67 121.05 1gkd s ASP 205 Ca -0.09 0.89 0.16 0.00 -0.52 0.00 0.00 52.55 53.00 1gkd s ASP 205 Cb -0.15 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.73 1gkd s ASP 205 CO 0.05 -1.38 1.62 -0.67 0.52 0.00 0.00 175.17 175.31 1gkd n ASP 206 N 8.63 0.11 -0.01 -0.34 2.03 -0.26 -2.56 116.55 124.15 1gkd n ASP 206 Ca 0.16 -1.51 0.14 0.00 0.52 0.00 0.00 54.79 54.10 1gkd n ASP 206 Cb 0.48 -0.01 0.58 0.00 -0.72 0.00 0.00 41.12 41.45 1gkd n ASP 206 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1gkd n ASP 207 N -0.68 0.11 -4.89 1.67 8.00 -1.26 -4.80 116.55 114.69 1gkd n ASP 207 Ca 0.12 0.24 -0.29 0.00 0.71 0.00 0.00 54.79 55.57 1gkd n ASP 207 Cb 0.07 -0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 40.83 1gkd n ASP 207 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1gkd s GLU 208 N -2.91 3.68 -0.42 -1.24 0.41 -1.06 -4.26 118.70 112.90 1gkd s GLU 208 Ca 0.16 0.39 -0.21 0.00 -0.41 0.00 0.00 54.97 54.91 1gkd s GLU 208 Cb 0.19 -2.36 0.02 0.00 -1.78 0.00 0.00 34.13 30.20 1gkd s GLU 208 CO 0.54 -0.13 0.63 -1.17 -0.49 0.00 0.00 175.26 174.65 1gkd s LEU 209 N -4.25 4.47 -0.02 1.80 2.96 -1.26 -5.04 118.68 117.34 1gkd s LEU 209 Ca 0.50 -0.27 -0.18 0.00 -0.22 0.00 0.00 54.13 53.96 1gkd s LEU 209 Cb -0.10 -2.73 -0.05 0.00 0.50 0.00 0.00 46.19 43.81 1gkd s LEU 209 CO 0.38 -0.74 0.50 0.26 -1.32 0.00 0.00 176.35 175.42 1gkd s TRP 210 N 2.78 3.68 0.00 5.38 0.52 -1.26 -1.11 118.94 128.92 1gkd s TRP 210 Ca 0.23 1.07 0.00 0.00 0.02 0.00 0.00 56.10 57.41 1gkd s TRP 210 Cb -0.14 -2.47 0.00 0.00 -1.15 0.00 0.00 33.47 29.71 1gkd s TRP 210 CO 0.18 0.44 0.00 0.45 0.02 0.00 0.00 176.95 178.04 1gkd n SER 211 N 2.50 0.00 -3.77 2.95 2.88 -0.26 -4.72 113.62 113.20 1gkd n SER 211 Ca -0.10 -0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.31 1gkd n SER 211 Cb 0.51 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 1gkd n SER 211 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1gkd s LEU 212 N 0.00 0.84 0.00 2.46 1.43 -1.26 -1.52 118.68 120.63 1gkd s LEU 212 Ca 0.00 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1gkd s LEU 212 Cb 0.00 1.18 0.00 0.00 0.03 0.00 0.00 46.19 47.40 1gkd s LEU 212 CO 0.00 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.88 1gkd n GLY 213 N 1.95 -0.58 3.77 -3.19 0.00 -1.26 -4.84 105.19 101.04 1gkd n GLY 213 Ca -0.18 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.33 1gkd n GLY 213 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gkd s LYS 214 N 0.00 4.29 0.00 1.61 1.02 -1.26 -4.84 119.74 120.56 1gkd s LYS 214 Ca 0.00 1.85 0.00 0.00 0.02 0.00 0.00 55.97 57.84 1gkd s LYS 214 Cb 0.00 -2.88 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 1gkd s LYS 214 CO 0.00 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 1gkd n GLY 215 N 0.79 0.89 3.77 -3.33 0.00 -1.26 -5.09 105.19 100.96 1gkd n GLY 215 Ca 0.02 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.57 1gkd n GLY 215 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gkd s GLN 391 N -0.98 2.11 0.00 1.61 1.03 -1.26 -4.87 119.66 117.30 1gkd s GLN 391 Ca 0.00 0.97 0.00 0.00 0.04 0.00 0.00 55.36 56.37 1gkd s GLN 391 Cb 0.00 -1.89 0.00 0.00 0.03 0.00 0.00 33.01 31.15 1gkd s GLN 391 CO 0.00 -1.69 0.00 0.41 -2.54 0.00 0.00 175.29 171.47 1gkd n GLY 392 N -1.45 -0.61 3.86 2.60 0.00 -1.26 -4.81 105.19 103.51 1gkd n GLY 392 Ca 0.08 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 1gkd n GLY 392 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gkd s TYR 393 N -2.06 3.47 -0.24 1.61 2.02 -0.27 -4.85 117.35 117.04 1gkd s TYR 393 Ca 0.00 0.33 -0.29 0.00 -0.37 0.00 0.00 57.07 56.74 1gkd s TYR 393 Cb 0.00 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.73 1gkd s TYR 393 CO 0.00 0.63 1.45 0.45 -1.57 0.00 0.00 175.55 176.51 1gkd s SER 394 N -1.70 6.58 0.24 2.29 0.15 -1.26 -1.10 113.70 118.90 1gkd s SER 394 Ca 0.24 1.50 -0.04 0.00 0.70 0.00 0.00 55.95 58.34 1gkd s SER 394 Cb -0.12 -2.54 0.25 0.00 -1.71 0.00 0.00 66.02 61.90 1gkd s SER 394 CO 0.14 -1.11 1.74 0.25 1.20 0.00 0.00 173.24 175.47 1gkd h LEU 395 N 11.04 0.89 -0.02 3.45 5.85 -1.65 -2.39 115.31 132.48 1gkd h LEU 395 Ca -0.30 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.22 1gkd h LEU 395 Cb 1.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1gkd h LEU 395 CO 1.01 0.91 -0.03 0.15 -0.34 0.00 0.00 178.44 180.14 1gkd h PHE 396 N 0.88 -0.07 -0.45 1.25 3.57 -1.87 -0.41 116.94 119.83 1gkd h PHE 396 Ca 0.18 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 1gkd h PHE 396 Cb 0.42 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1gkd h PHE 396 CO 0.03 -0.05 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.83 1gkd h LEU 397 N -0.04 0.92 -0.63 0.59 3.38 -1.94 -2.25 115.31 115.34 1gkd h LEU 397 Ca 0.02 -0.38 -0.10 0.00 0.09 0.00 0.00 57.88 57.51 1gkd h LEU 397 Cb 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1gkd h LEU 397 CO -0.04 1.10 -0.03 0.58 0.09 0.00 0.00 178.44 180.13 1gkd h VAL 398 N 0.75 1.27 -0.74 1.22 2.07 -1.36 -2.73 116.25 116.73 1gkd h VAL 398 Ca 0.11 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1gkd h VAL 398 Cb 0.72 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1gkd h VAL 398 CO 0.05 0.43 0.29 0.00 0.02 0.00 0.00 177.57 178.36 1gkd h ALA 399 N 1.00 0.96 -0.95 1.67 0.00 -1.00 -0.84 119.26 120.10 1gkd h ALA 399 Ca 0.16 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1gkd h ALA 399 Cb 0.59 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1gkd h ALA 399 CO 0.04 0.59 0.62 0.00 0.00 0.00 0.00 179.25 180.50 1gkd h ALA 400 N 1.14 1.25 -0.16 0.00 0.00 -1.22 0.55 119.26 120.83 1gkd h ALA 400 Ca 0.25 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1gkd h ALA 400 Cb 0.22 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1gkd h ALA 400 CO -0.02 0.53 -0.08 1.25 0.00 0.00 0.00 179.25 180.92 1gkd h HIS 401 N 1.23 0.39 -0.62 0.00 6.17 -1.16 -2.51 115.15 118.65 1gkd h HIS 401 Ca 0.37 -0.10 -0.01 0.00 0.71 0.00 0.00 60.37 61.35 1gkd h HIS 401 Cb -0.03 -0.09 -0.03 0.00 2.52 0.00 0.00 27.41 29.78 1gkd h HIS 401 CO -0.01 0.66 0.36 1.96 0.71 0.00 0.00 177.93 181.62 1gkd h GLN 402 N 0.01 0.85 0.00 5.26 1.08 -0.81 -1.98 115.11 119.52 1gkd h GLN 402 Ca 0.04 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 1gkd h GLN 402 Cb 0.56 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1gkd h GLN 402 CO 0.02 0.62 -0.19 0.74 -0.95 0.00 0.00 178.83 179.07 1gkd h PHE 403 N 0.84 0.00 -0.27 2.96 0.04 -0.90 -1.94 116.94 117.67 1gkd h PHE 403 Ca 0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1gkd h PHE 403 Cb -0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 1gkd h PHE 403 CO -0.02 0.19 0.18 0.78 -0.60 0.00 0.00 178.31 178.84 1gkd h GLY 404 N 0.92 0.39 0.97 -1.45 0.00 -0.89 -2.07 103.07 100.94 1gkd h GLY 404 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1gkd h GLY 404 CO 0.02 0.14 0.19 0.45 0.00 0.00 0.00 176.54 177.35 1gkd h HIS 405 N 0.37 0.79 0.00 5.60 3.86 -1.22 -1.86 115.15 122.69 1gkd h HIS 405 Ca 0.10 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1gkd h HIS 405 Cb -0.04 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.20 1gkd h HIS 405 CO -0.06 0.66 0.00 0.00 0.86 0.00 0.00 177.93 179.40 1gkd h ALA 406 N 1.04 1.00 -0.00 2.45 0.00 -1.00 0.16 119.26 122.91 1gkd h ALA 406 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1gkd h ALA 406 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1gkd h ALA 406 CO -0.01 0.00 -0.77 1.28 0.00 0.00 0.00 179.25 179.75 1gkd n LEU 407 N -2.29 1.16 0.00 0.00 4.77 -0.81 -3.99 117.00 115.84 1gkd n LEU 407 Ca -0.01 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1gkd n LEU 407 Cb 0.07 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1gkd n LEU 407 CO 0.12 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1gkd n GLY 408 N 1.47 0.95 3.78 -0.72 0.00 0.04 -4.59 105.19 106.13 1gkd n GLY 408 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1gkd n GLY 408 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gkd s LEU 409 N 0.00 3.87 0.58 0.99 1.43 -0.75 -4.87 118.68 119.93 1gkd s LEU 409 Ca 0.00 2.10 0.08 0.00 -1.03 0.00 0.00 54.13 55.28 1gkd s LEU 409 Cb 0.00 -4.47 0.08 0.00 0.03 0.00 0.00 46.19 41.82 1gkd s LEU 409 CO 0.00 -0.94 0.66 1.51 0.23 0.00 0.00 176.35 177.81 1gkd s ASP 410 N -1.75 4.86 0.41 2.29 1.47 -1.26 -4.21 116.67 118.49 1gkd s ASP 410 Ca 0.68 -1.06 -0.24 0.00 1.18 0.00 0.00 52.55 53.11 1gkd s ASP 410 Cb -0.22 0.47 -0.08 0.00 -0.34 0.00 0.00 42.92 42.75 1gkd s ASP 410 CO 0.26 -1.32 1.13 -1.00 0.68 0.00 0.00 175.17 174.92 1gkd s HIS 411 N -2.75 3.09 0.42 2.11 3.76 -1.26 -4.91 115.29 115.76 1gkd s HIS 411 Ca 0.51 1.58 0.05 0.00 -0.15 0.00 0.00 55.06 57.05 1gkd s HIS 411 Cb -0.04 -3.30 0.01 0.00 1.11 0.00 0.00 32.58 30.36 1gkd s HIS 411 CO 0.32 -1.12 0.60 0.45 -0.85 0.00 0.00 174.74 174.13 1gkd s SER 412 N -1.33 5.72 0.00 1.40 0.15 -0.38 -4.98 113.70 114.27 1gkd s SER 412 Ca 0.59 -0.14 0.14 0.00 0.70 0.00 0.00 55.95 57.24 1gkd s SER 412 Cb -0.27 -1.05 0.01 0.00 -1.71 0.00 0.00 66.02 63.01 1gkd s SER 412 CO 0.34 -0.72 0.79 -1.54 1.20 0.00 0.00 173.24 173.31 1gkd n SER 413 N -1.92 1.56 -4.51 5.45 3.41 -1.26 -4.46 113.62 111.90 1gkd n SER 413 Ca 0.04 -1.28 -0.42 0.00 -0.26 0.00 0.00 58.87 56.95 1gkd n SER 413 Cb 0.59 0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 64.89 1gkd n SER 413 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1gkd s VAL 414 N -1.58 4.16 0.66 -3.33 1.01 -1.26 -4.88 120.40 115.17 1gkd s VAL 414 Ca 0.12 0.13 0.22 0.00 0.00 0.00 0.00 61.98 62.45 1gkd s VAL 414 Cb 0.11 -4.71 0.23 0.00 0.00 0.00 0.00 36.38 32.02 1gkd s VAL 414 CO 0.31 -1.45 1.67 -0.65 0.00 0.00 0.00 175.10 174.98 1gkd h PRO 415 N 9.61 0.00 -0.05 2.72 0.11 -2.00 0.59 132.00 142.98 1gkd h PRO 415 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1gkd h PRO 415 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1gkd h PRO 415 CO 1.18 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 178.12 1gkd n GLU 416 N -2.87 2.26 -2.98 1.05 0.28 -1.26 -4.88 120.64 112.24 1gkd n GLU 416 Ca 0.00 -1.92 -0.35 0.00 -0.16 0.00 0.00 57.16 54.73 1gkd n GLU 416 Cb 0.59 -1.45 -0.06 0.00 1.43 0.00 0.00 31.44 31.94 1gkd n GLU 416 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1gkd s ALA 417 N -1.92 3.28 0.23 -1.84 0.00 0.21 -4.77 121.76 116.96 1gkd s ALA 417 Ca 0.28 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.46 1gkd s ALA 417 Cb 0.20 -2.96 0.38 0.00 0.00 0.00 0.00 23.12 20.73 1gkd s ALA 417 CO 0.29 0.26 1.76 1.25 0.00 0.00 0.00 175.76 179.32 1gkd h LEU 418 N 2.92 0.39 -0.02 0.00 5.85 -1.86 -0.90 115.31 121.69 1gkd h LEU 418 Ca -0.48 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1gkd h LEU 418 Cb 1.19 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1gkd h LEU 418 CO 0.65 0.20 0.00 0.23 -0.34 0.00 0.00 178.44 179.18 1gkd n MET 419 N -4.92 0.58 -2.21 1.25 2.81 -1.26 -4.77 117.12 108.60 1gkd n MET 419 Ca 0.12 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.60 1gkd n MET 419 Cb 0.32 -1.01 -0.03 0.00 -0.71 0.00 0.00 33.22 31.80 1gkd n MET 419 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1gkd s TYR 420 N -1.98 3.26 -1.41 2.03 5.04 -0.35 -1.25 117.35 122.69 1gkd s TYR 420 Ca 0.00 1.16 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 1gkd s TYR 420 Cb 0.00 -3.62 0.00 0.00 0.35 0.00 0.00 41.96 38.69 1gkd s TYR 420 CO 0.00 -1.98 0.67 -0.35 -1.34 0.00 0.00 175.55 172.55 1gkd n PRO 421 N 2.97 0.00 -5.08 4.97 -0.04 -1.26 -4.69 135.00 131.87 1gkd n PRO 421 Ca 0.07 0.20 -0.29 0.00 -0.04 0.00 0.00 63.50 63.45 1gkd n PRO 421 Cb 0.43 -1.52 -0.16 0.00 -0.04 0.00 0.00 33.50 32.21 1gkd n PRO 421 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1gkd s MET 422 N -2.34 1.82 0.33 0.54 -1.94 -1.26 -5.11 119.30 111.33 1gkd s MET 422 Ca 0.00 -0.85 -0.28 0.00 -1.71 0.00 0.00 55.69 52.84 1gkd s MET 422 Cb 0.00 -1.79 -0.10 0.00 2.01 0.00 0.00 34.83 34.95 1gkd s MET 422 CO 0.00 0.49 1.27 -0.47 -0.01 0.00 0.00 175.02 176.29 1gkd s TYR 423 N -0.58 3.11 -0.29 -0.03 5.04 -1.26 -5.03 117.35 118.30 1gkd s TYR 423 Ca 0.09 1.47 -0.13 0.00 -2.44 0.00 0.00 57.07 56.06 1gkd s TYR 423 Cb -0.09 -3.60 0.11 0.00 0.35 0.00 0.00 41.96 38.73 1gkd s TYR 423 CO -0.00 -1.65 0.67 1.03 -1.34 0.00 0.00 175.55 174.26 1gkd s ARG 424 N -1.81 0.63 0.31 4.97 3.00 -1.26 -5.16 118.95 119.63 1gkd s ARG 424 Ca 0.49 1.35 -0.27 0.00 0.00 0.00 0.00 55.73 57.30 1gkd s ARG 424 Cb -0.38 0.56 -0.09 0.00 0.00 0.00 0.00 34.95 35.04 1gkd s ARG 424 CO 0.50 -0.18 1.00 0.12 0.00 0.00 0.00 175.30 176.74 1gkd s PHE 425 N 2.36 3.63 -0.03 -0.53 2.19 -1.26 -5.06 117.98 119.28 1gkd s PHE 425 Ca -0.08 1.76 -0.16 0.00 0.33 0.00 0.00 56.93 58.78 1gkd s PHE 425 Cb -0.09 -3.06 0.03 0.00 -1.31 0.00 0.00 43.02 38.58 1gkd s PHE 425 CO -0.19 -0.11 0.35 -0.08 1.83 0.00 0.00 175.22 177.02 1gkd s THR 426 N -1.44 0.05 0.42 0.12 -1.32 -1.26 -5.17 115.64 107.04 1gkd s THR 426 Ca 0.49 -0.39 0.08 0.00 -1.21 0.00 0.00 61.69 60.65 1gkd s THR 426 Cb -0.24 -0.64 0.01 0.00 -1.51 0.00 0.00 72.50 70.12 1gkd s THR 426 CO 0.30 -0.22 0.57 -1.61 -2.21 0.00 0.00 174.62 171.45 1gkd s GLU 427 N -1.20 2.83 0.76 7.08 2.02 -1.26 -4.98 118.70 123.95 1gkd s GLU 427 Ca -0.12 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.63 1gkd s GLU 427 Cb -0.05 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1gkd s GLU 427 CO 0.05 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.47 1gkd n GLY 428 N -1.85 -1.92 3.68 -1.39 0.00 -1.26 -4.81 105.19 97.65 1gkd n GLY 428 Ca 0.08 -1.34 -0.53 0.00 0.00 0.00 0.00 46.02 44.23 1gkd n GLY 428 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gkd n PRO 429 N -1.32 1.60 -0.06 1.61 -0.04 -1.26 -4.92 135.00 130.61 1gkd n PRO 429 Ca 0.00 0.59 -0.13 0.00 -0.04 0.00 0.00 63.50 63.91 1gkd n PRO 429 Cb 0.10 -2.33 -0.02 0.00 -0.04 0.00 0.00 33.50 31.22 1gkd n PRO 429 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1gkd h PRO 430 N 7.51 0.79 -6.26 0.54 0.11 -1.94 -3.45 132.00 129.31 1gkd h PRO 430 Ca -0.47 -0.51 -0.56 0.00 0.11 0.00 0.00 66.00 64.57 1gkd h PRO 430 Cb 1.30 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.44 1gkd h PRO 430 CO 0.93 1.14 0.71 -0.51 -0.21 0.00 0.00 178.00 180.06 1gkd s LEU 431 N -8.59 4.24 0.35 2.35 1.43 -1.26 -4.25 118.68 112.96 1gkd s LEU 431 Ca -0.10 1.70 -0.08 0.00 -1.03 0.00 0.00 54.13 54.63 1gkd s LEU 431 Cb 0.10 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 1gkd s LEU 431 CO 0.88 -0.59 0.66 -2.28 0.23 0.00 0.00 176.35 175.25 1gkd s HIS 432 N 2.45 3.48 0.63 0.29 5.65 -1.26 -4.91 115.29 121.61 1gkd s HIS 432 Ca 0.53 0.84 0.28 0.00 0.25 0.00 0.00 55.06 56.96 1gkd s HIS 432 Cb -0.22 -2.27 1.51 0.00 -1.18 0.00 0.00 32.58 30.42 1gkd s HIS 432 CO 0.19 0.03 1.88 0.87 -0.65 0.00 0.00 174.74 177.06 1gkd h LYS 433 N 1.43 0.00 -0.18 2.88 1.57 -1.97 0.39 116.57 120.69 1gkd h LYS 433 Ca -0.47 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.10 1gkd h LYS 433 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1gkd h LYS 433 CO 0.65 0.00 -0.69 0.22 -0.57 0.00 0.00 179.45 179.06 1gkd h ASP 434 N 0.00 0.86 -0.24 0.86 1.82 -2.00 -2.36 116.42 115.37 1gkd h ASP 434 Ca 0.10 -0.53 -0.04 0.00 -0.39 0.00 0.00 57.03 56.18 1gkd h ASP 434 Cb 0.95 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 1gkd h ASP 434 CO -0.00 1.31 -0.01 0.44 -1.61 0.00 0.00 179.24 179.37 1gkd h ASP 435 N 0.53 0.42 -0.81 2.28 3.32 -0.62 -1.89 116.42 119.65 1gkd h ASP 435 Ca -0.03 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.71 1gkd h ASP 435 Cb 1.30 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 1gkd h ASP 435 CO 0.14 0.64 0.53 0.58 -1.72 0.00 0.00 179.24 179.41 1gkd h VAL 436 N 0.19 1.21 -0.46 -1.35 2.07 -1.39 -1.72 116.25 114.80 1gkd h VAL 436 Ca 0.07 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 1gkd h VAL 436 Cb 0.43 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1gkd h VAL 436 CO 0.01 0.20 -0.18 0.78 0.02 0.00 0.00 177.57 178.41 1gkd h ASN 437 N 1.10 0.96 -0.69 0.57 2.35 -1.38 -1.97 115.58 116.52 1gkd h ASN 437 Ca 0.30 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1gkd h ASN 437 Cb -0.12 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 37.96 1gkd h ASN 437 CO -0.06 1.13 0.40 1.23 -1.65 0.00 0.00 177.43 178.47 1gkd h GLY 438 N 0.78 1.01 1.08 2.83 0.00 -0.95 -1.02 103.07 106.80 1gkd h GLY 438 Ca 0.11 -0.44 -0.20 0.00 0.00 0.00 0.00 47.33 46.80 1gkd h GLY 438 CO 0.06 0.42 -0.67 1.19 0.00 0.00 0.00 176.54 177.54 1gkd h ILE 439 N 0.94 1.30 0.00 2.60 6.09 -1.30 -3.07 117.51 124.08 1gkd h ILE 439 Ca 0.25 -1.90 -0.03 0.00 -1.37 0.00 0.00 64.86 61.81 1gkd h ILE 439 Cb 0.00 2.01 -0.00 0.00 0.47 0.00 0.00 36.82 39.30 1gkd h ILE 439 CO -0.04 0.60 -0.13 0.03 -3.07 0.00 0.00 178.15 175.54 1gkd h ARG 440 N 0.42 0.00 -0.19 2.19 3.08 -1.21 -1.13 114.38 117.55 1gkd h ARG 440 Ca -0.04 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 1gkd h ARG 440 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1gkd h ARG 440 CO 0.14 0.13 -0.31 1.25 -1.07 0.00 0.00 179.97 180.10 1gkd h HIS 441 N 0.00 0.43 0.14 3.04 2.76 -1.09 -3.25 115.15 117.18 1gkd h HIS 441 Ca -0.00 -0.10 -0.25 0.00 -2.20 0.00 0.00 60.37 57.82 1gkd h HIS 441 Cb 0.28 -0.10 0.01 0.00 1.55 0.00 0.00 27.41 29.14 1gkd h HIS 441 CO 0.00 0.65 -1.21 -0.07 -1.30 0.00 0.00 177.93 176.00 1gkd h LEU 442 N 0.33 0.45 -1.30 0.26 3.38 -1.36 -3.52 115.31 113.55 1gkd h LEU 442 Ca 0.04 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.12 1gkd h LEU 442 Cb 0.72 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1gkd h LEU 442 CO 0.05 1.55 0.00 -1.22 0.09 0.00 0.00 178.44 178.91