#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8r s THR 2 N 0.00 3.44 -0.24 1.12 -4.23 -1.26 -4.91 115.64 109.57 1k8r s THR 2 Ca 0.00 1.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.88 1k8r s THR 2 Cb 0.00 -3.82 0.05 0.00 1.34 0.00 0.00 72.50 70.08 1k8r s THR 2 CO 0.00 0.24 -0.11 -0.70 -0.54 0.00 0.00 174.62 173.52 1k8r s GLU 3 N -1.78 2.18 -0.20 3.99 2.12 -1.26 -0.81 118.70 122.93 1k8r s GLU 3 Ca 0.49 -1.14 -0.09 0.00 0.36 0.00 0.00 54.97 54.58 1k8r s GLU 3 Cb -0.30 -2.72 -0.05 0.00 0.26 0.00 0.00 34.13 31.32 1k8r s GLU 3 CO 0.39 -0.51 0.12 0.71 -0.54 0.00 0.00 175.26 175.42 1k8r s TYR 4 N 1.22 3.34 -0.19 5.30 4.12 -0.98 -4.95 117.35 125.20 1k8r s TYR 4 Ca -0.06 0.22 -0.17 0.00 0.02 0.00 0.00 57.07 57.09 1k8r s TYR 4 Cb -0.18 -2.16 -0.04 0.00 -1.52 0.00 0.00 41.96 38.06 1k8r s TYR 4 CO -0.07 0.19 0.43 0.15 0.02 0.00 0.00 175.55 176.28 1k8r s LYS 5 N 0.54 4.19 -0.03 -0.62 1.02 -1.26 -0.33 119.74 123.25 1k8r s LYS 5 Ca 0.06 0.27 0.07 0.00 0.02 0.00 0.00 55.97 56.40 1k8r s LYS 5 Cb -0.12 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.64 1k8r s LYS 5 CO 0.00 -0.05 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.62 1k8r s LEU 6 N 1.33 2.05 -0.11 3.17 1.02 0.50 -1.99 118.68 124.65 1k8r s LEU 6 Ca 0.21 -0.48 0.02 0.00 0.02 0.00 0.00 54.13 53.90 1k8r s LEU 6 Cb -0.15 -1.32 0.01 0.00 0.02 0.00 0.00 46.19 44.75 1k8r s LEU 6 CO 0.09 0.28 -0.18 -0.69 0.02 0.00 0.00 176.35 175.87 1k8r s VAL 7 N -0.42 1.68 -0.30 -1.59 1.01 -0.81 -0.11 120.40 119.87 1k8r s VAL 7 Ca 0.04 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 1k8r s VAL 7 Cb -0.11 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1k8r s VAL 7 CO 0.01 0.48 0.31 -0.69 0.00 0.00 0.00 175.10 175.20 1k8r s VAL 8 N 0.85 5.22 -0.00 2.92 1.01 -0.45 -2.07 120.40 127.87 1k8r s VAL 8 Ca -0.09 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.18 1k8r s VAL 8 Cb -0.15 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1k8r s VAL 8 CO -0.00 0.08 -0.23 -0.69 0.00 0.00 0.00 175.10 174.26 1k8r s VAL 9 N 1.94 1.79 0.00 2.92 1.01 -0.61 -3.08 120.40 124.37 1k8r s VAL 9 Ca 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1k8r s VAL 9 Cb -0.16 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1k8r s VAL 9 CO 0.11 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1k8r n GLY 10 N 2.34 0.91 3.60 4.51 0.00 -1.26 0.06 105.19 115.35 1k8r n GLY 10 Ca -0.16 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 1k8r n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k8r s ALA 11 N -2.00 0.54 0.54 4.61 0.00 -1.25 -4.44 121.76 119.77 1k8r s ALA 11 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.73 1k8r s ALA 11 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 1k8r s ALA 11 CO 0.00 -3.16 1.27 0.20 0.00 0.00 0.00 175.76 174.07 1k8r s GLY 12 N -2.90 2.82 -1.93 0.00 0.00 -1.24 -3.26 107.32 100.81 1k8r s GLY 12 Ca 0.66 1.15 0.00 0.00 0.00 0.00 0.00 44.72 46.53 1k8r s GLY 12 CO 0.61 1.61 0.00 0.61 0.00 0.00 0.00 173.10 175.93 1k8r n GLY 13 N 0.62 1.58 0.13 0.20 0.00 -1.26 -4.86 105.19 101.60 1k8r n GLY 13 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1k8r n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1k8r h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.92 -3.48 116.25 110.95 1k8r h VAL 14 Ca -0.38 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.35 1k8r h VAL 14 Cb 1.21 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 1k8r h VAL 14 CO 0.55 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.50 1k8r n GLY 15 N 1.23 1.94 0.16 5.19 0.00 -1.26 -4.46 105.19 108.00 1k8r n GLY 15 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1k8r n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k8r h LYS 16 N 0.00 -0.29 -0.69 1.61 1.57 -1.92 -1.37 116.57 115.49 1k8r h LYS 16 Ca 0.00 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1k8r h LYS 16 Cb 0.00 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1k8r h LYS 16 CO 0.00 0.09 0.36 0.77 -0.57 0.00 0.00 179.45 180.09 1k8r h SER 17 N -0.84 0.86 -0.27 0.86 0.02 -1.97 -0.81 113.55 111.40 1k8r h SER 17 Ca -0.03 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1k8r h SER 17 Cb 0.51 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1k8r h SER 17 CO 0.05 0.71 -0.01 0.00 -1.14 0.00 0.00 176.83 176.44 1k8r h ALA 18 N 1.43 0.37 -0.28 3.77 0.00 -1.92 -1.81 119.26 120.81 1k8r h ALA 18 Ca 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1k8r h ALA 18 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1k8r h ALA 18 CO -0.04 0.11 0.14 -0.07 0.00 0.00 0.00 179.25 179.40 1k8r h LEU 19 N 0.26 0.36 0.54 0.00 3.38 -0.92 -2.50 115.31 116.44 1k8r h LEU 19 Ca 0.08 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1k8r h LEU 19 Cb 0.44 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1k8r h LEU 19 CO 0.02 0.37 -0.41 0.74 0.09 0.00 0.00 178.44 179.25 1k8r h THR 20 N 0.32 0.00 -0.52 0.22 2.02 -1.09 -2.44 112.91 111.41 1k8r h THR 20 Ca 0.10 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.43 1k8r h THR 20 Cb 0.10 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 1k8r h THR 20 CO -0.01 0.00 0.53 0.40 0.37 0.00 0.00 175.52 176.81 1k8r h ILE 21 N -0.91 0.36 -0.07 3.11 2.04 -1.33 0.18 117.51 120.90 1k8r h ILE 21 Ca -0.07 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.61 1k8r h ILE 21 Cb 0.76 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1k8r h ILE 21 CO 0.02 0.00 -0.74 1.56 0.00 0.00 0.00 178.15 178.99 1k8r h GLN 22 N 0.00 0.38 -0.16 2.37 1.08 -0.97 0.27 115.11 118.08 1k8r h GLN 22 Ca 0.25 -0.31 -0.17 0.00 -1.45 0.00 0.00 58.65 56.97 1k8r h GLN 22 Cb 1.31 0.07 0.01 0.00 -0.05 0.00 0.00 27.48 28.82 1k8r h GLN 22 CO -0.00 0.96 -0.55 1.25 -0.95 0.00 0.00 178.83 179.53 1k8r h LEU 23 N 0.25 0.76 0.00 1.46 5.85 -0.74 -2.79 115.31 120.11 1k8r h LEU 23 Ca -0.03 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1k8r h LEU 23 Cb 1.32 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1k8r h LEU 23 CO 0.13 1.24 0.00 -0.38 -0.34 0.00 0.00 178.44 179.08 1k8r n ILE 24 N -4.14 0.00 1.13 4.05 2.08 -0.89 -4.40 119.36 117.19 1k8r n ILE 24 Ca -0.07 0.14 0.10 0.00 0.56 0.00 0.00 62.75 63.47 1k8r n ILE 24 Cb 0.63 -0.47 0.55 0.00 -0.75 0.00 0.00 39.64 39.60 1k8r n ILE 24 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1k8r n GLN 25 N -0.98 0.50 -3.72 0.38 6.02 0.03 -4.94 117.38 114.67 1k8r n GLN 25 Ca 0.00 0.04 -0.23 0.00 -0.01 0.00 0.00 57.00 56.80 1k8r n GLN 25 Cb 0.00 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.76 1k8r n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1k8r n ASN 26 N -1.10 -5.14 -3.65 1.08 4.05 -0.89 -4.96 115.26 104.65 1k8r n ASN 26 Ca 0.13 -0.89 -0.03 0.00 0.45 0.00 0.00 54.58 54.25 1k8r n ASN 26 Cb 0.10 -2.08 -0.06 0.00 1.23 0.00 0.00 39.78 38.96 1k8r n ASN 26 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 177.26 172.83 1k8r s HIS 27 N -3.02 -0.05 -0.38 1.20 -3.43 -1.26 -5.02 115.29 103.34 1k8r s HIS 27 Ca 0.02 0.12 -0.29 0.00 -0.80 0.00 0.00 55.06 54.11 1k8r s HIS 27 Cb -0.01 0.49 0.01 0.00 -1.43 0.00 0.00 32.58 31.64 1k8r s HIS 27 CO 0.88 -0.03 1.28 0.12 -2.00 0.00 0.00 174.74 175.00 1k8r s PHE 28 N -0.27 2.66 -0.33 0.38 5.36 -1.26 -4.23 117.98 120.29 1k8r s PHE 28 Ca 0.08 0.80 -0.29 0.00 -0.96 0.00 0.00 56.93 56.56 1k8r s PHE 28 Cb -0.04 -4.13 -0.01 0.00 -0.34 0.00 0.00 43.02 38.50 1k8r s PHE 28 CO -0.13 -1.62 1.56 0.08 -1.46 0.00 0.00 175.22 173.64 1k8r s VAL 29 N 4.67 3.76 -1.67 3.12 1.01 -1.26 -4.85 120.40 125.18 1k8r s VAL 29 Ca 0.55 0.81 0.29 0.00 0.00 0.00 0.00 61.98 63.63 1k8r s VAL 29 Cb -0.13 -3.92 0.52 0.00 0.00 0.00 0.00 36.38 32.85 1k8r s VAL 29 CO 0.27 -0.51 1.94 -0.67 0.00 0.00 0.00 175.10 176.13 1k8r n ASP 30 N 8.99 0.36 -4.64 3.32 2.03 -1.26 -4.90 116.55 120.46 1k8r n ASP 30 Ca 0.19 -0.57 -0.25 0.00 0.52 0.00 0.00 54.79 54.68 1k8r n ASP 30 Cb 0.47 -0.11 -0.08 0.00 -0.72 0.00 0.00 41.12 40.68 1k8r n ASP 30 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1k8r s GLU 31 N -2.42 2.28 -0.35 -0.67 8.01 -1.26 -5.10 118.70 119.19 1k8r s GLU 31 Ca 0.31 -1.31 -0.10 0.00 0.01 0.00 0.00 54.97 53.88 1k8r s GLU 31 Cb 0.20 -2.21 0.02 0.00 -4.31 0.00 0.00 34.13 27.83 1k8r s GLU 31 CO 0.46 0.40 0.17 -0.47 0.01 0.00 0.00 175.26 175.83 1k8r s TYR 32 N -2.06 3.22 -0.31 1.61 5.04 -1.26 -5.03 117.35 118.56 1k8r s TYR 32 Ca 0.29 -0.87 0.01 0.00 -2.44 0.00 0.00 57.07 54.06 1k8r s TYR 32 Cb -0.08 -2.39 0.09 0.00 0.35 0.00 0.00 41.96 39.94 1k8r s TYR 32 CO 0.19 -0.59 0.05 0.34 -1.34 0.00 0.00 175.55 174.20 1k8r s ASP 33 N 1.56 4.29 -0.35 4.32 2.15 -1.26 -5.09 116.67 122.28 1k8r s ASP 33 Ca 0.03 -1.76 -0.41 0.00 0.43 0.00 0.00 52.55 50.84 1k8r s ASP 33 Cb -0.18 -1.23 -0.16 0.00 -0.30 0.00 0.00 42.92 41.05 1k8r s ASP 33 CO 0.06 -0.37 1.86 -2.65 -0.17 0.00 0.00 175.17 173.90 1k8r n PRO 34 N 4.58 0.83 -2.69 4.34 -0.02 -1.26 -4.91 135.00 135.86 1k8r n PRO 34 Ca -0.01 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 1k8r n PRO 34 Cb 0.42 -2.00 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 1k8r n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1k8r s THR 35 N 4.48 4.17 -0.20 3.45 2.01 -1.26 -4.95 115.64 123.35 1k8r s THR 35 Ca 1.04 1.98 -0.17 0.00 0.31 0.00 0.00 61.69 64.85 1k8r s THR 35 Cb -1.15 -4.26 -0.07 0.00 0.01 0.00 0.00 72.50 67.02 1k8r s THR 35 CO 0.65 0.39 -0.33 -0.38 -0.69 0.00 0.00 174.62 174.26 1k8r n ILE 36 N 2.10 1.50 -3.25 1.82 5.41 -1.26 -4.24 119.36 121.44 1k8r n ILE 36 Ca 0.00 0.03 0.03 0.00 1.00 0.00 0.00 62.75 63.81 1k8r n ILE 36 Cb 0.48 -2.25 -0.04 0.00 -0.71 0.00 0.00 39.64 37.12 1k8r n ILE 36 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1k8r s GLU 37 N -2.77 0.13 0.00 0.38 2.12 -1.26 -3.73 118.70 113.57 1k8r s GLU 37 Ca -0.30 0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.36 1k8r s GLU 37 Cb 0.06 0.19 -0.01 0.00 0.26 0.00 0.00 34.13 34.64 1k8r s GLU 37 CO 0.43 -0.06 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.54 1k8r s ASP 38 N 2.32 0.46 -0.10 -1.70 1.01 -1.08 -5.01 116.67 112.57 1k8r s ASP 38 Ca -0.01 -0.13 0.03 0.00 0.71 0.00 0.00 52.55 53.15 1k8r s ASP 38 Cb -0.04 -0.03 0.01 0.00 1.01 0.00 0.00 42.92 43.86 1k8r s ASP 38 CO -0.16 0.00 -0.21 -0.94 0.21 0.00 0.00 175.17 174.08 1k8r s SER 39 N -0.30 2.87 0.42 0.27 1.04 -1.26 0.37 113.70 117.11 1k8r s SER 39 Ca -0.01 -0.52 0.07 0.00 0.48 0.00 0.00 55.95 55.97 1k8r s SER 39 Cb -0.03 -1.31 -0.06 0.00 0.10 0.00 0.00 66.02 64.72 1k8r s SER 39 CO -0.00 0.11 0.10 -0.31 0.98 0.00 0.00 173.24 174.12 1k8r s TYR 40 N 0.54 2.51 -0.29 5.02 1.51 0.71 -4.95 117.35 122.40 1k8r s TYR 40 Ca -0.15 -0.65 -0.20 0.00 -1.01 0.00 0.00 57.07 55.07 1k8r s TYR 40 Cb -0.17 -1.86 0.14 0.00 -0.11 0.00 0.00 41.96 39.96 1k8r s TYR 40 CO 0.05 0.29 1.04 -0.98 -1.11 0.00 0.00 175.55 174.84 1k8r s ARG 41 N -3.83 0.38 0.06 -0.62 1.70 -1.26 -0.05 118.95 115.34 1k8r s ARG 41 Ca 0.37 0.57 0.00 0.00 -0.47 0.00 0.00 55.73 56.20 1k8r s ARG 41 Cb 0.06 0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 1k8r s ARG 41 CO 0.20 -0.07 -0.04 0.21 -1.08 0.00 0.00 175.30 174.52 1k8r s LYS 42 N 0.88 0.61 -0.45 3.89 2.20 -1.14 -4.99 119.74 120.74 1k8r s LYS 42 Ca -0.04 -1.11 -0.28 0.00 -0.36 0.00 0.00 55.97 54.18 1k8r s LYS 42 Cb -0.04 0.04 0.03 0.00 -1.51 0.00 0.00 37.83 36.34 1k8r s LYS 42 CO -0.12 -0.06 1.05 -1.14 -0.36 0.00 0.00 175.35 174.72 1k8r s GLN 43 N -3.29 3.70 0.05 4.03 2.00 -1.26 -3.12 119.66 121.77 1k8r s GLN 43 Ca 0.03 0.48 0.03 0.00 -2.00 0.00 0.00 55.36 53.90 1k8r s GLN 43 Cb 0.03 -3.89 -0.03 0.00 0.80 0.00 0.00 33.01 29.92 1k8r s GLN 43 CO -0.06 -1.27 -0.10 0.14 -0.50 0.00 0.00 175.29 173.50 1k8r s VAL 44 N 4.12 0.73 -0.35 1.34 -7.23 -0.25 -5.01 120.40 113.75 1k8r s VAL 44 Ca 0.44 -1.14 -0.01 0.00 -1.81 0.00 0.00 61.98 59.46 1k8r s VAL 44 Cb -0.09 -0.76 0.08 0.00 0.56 0.00 0.00 36.38 36.17 1k8r s VAL 44 CO 0.28 -0.32 0.08 0.54 -0.31 0.00 0.00 175.10 175.37 1k8r s VAL 45 N -1.32 2.93 -0.23 1.32 0.11 -1.26 -0.04 120.40 121.91 1k8r s VAL 45 Ca -0.07 -1.82 -0.03 0.00 -2.93 0.00 0.00 61.98 57.13 1k8r s VAL 45 Cb -0.10 -2.89 0.01 0.00 -1.53 0.00 0.00 36.38 31.87 1k8r s VAL 45 CO 0.01 -0.41 -0.05 -0.63 -3.33 0.00 0.00 175.10 170.69 1k8r s ILE 46 N 1.14 3.17 -1.13 7.04 1.01 0.80 -4.62 121.20 128.61 1k8r s ILE 46 Ca 0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1k8r s ILE 46 Cb -0.21 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.77 1k8r s ILE 46 CO -0.04 0.34 0.97 0.47 0.00 0.00 0.00 174.94 176.68 1k8r n ASP 47 N 4.75 -3.91 0.00 3.58 10.43 -1.26 -1.72 116.55 128.42 1k8r n ASP 47 Ca -0.18 -0.52 0.00 0.00 2.57 0.00 0.00 54.79 56.67 1k8r n ASP 47 Cb 0.49 -4.57 0.00 0.00 1.84 0.00 0.00 41.12 38.89 1k8r n ASP 47 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1k8r n GLY 48 N -1.47 1.89 3.71 0.44 0.00 -1.26 -4.94 105.19 103.56 1k8r n GLY 48 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1k8r n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k8r s GLU 49 N 0.00 4.35 -0.34 1.61 2.12 -0.70 -4.99 118.70 120.75 1k8r s GLU 49 Ca 0.00 1.92 -0.17 0.00 0.36 0.00 0.00 54.97 57.08 1k8r s GLU 49 Cb 0.00 -3.37 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 1k8r s GLU 49 CO 0.00 -0.40 0.46 -0.08 -0.54 0.00 0.00 175.26 174.70 1k8r s THR 50 N 1.42 5.07 0.19 -1.70 -1.32 -1.26 -0.14 115.64 117.89 1k8r s THR 50 Ca 0.62 0.28 0.03 0.00 -1.21 0.00 0.00 61.69 61.41 1k8r s THR 50 Cb -0.32 -3.90 -0.05 0.00 -1.51 0.00 0.00 72.50 66.72 1k8r s THR 50 CO 0.29 -0.15 -0.03 0.00 -2.21 0.00 0.00 174.62 172.52 1k8r s LEU 52 N -3.22 3.62 -0.19 0.00 0.20 0.01 -1.09 118.68 118.01 1k8r s LEU 52 Ca 0.23 -1.64 -0.16 0.00 0.69 0.00 0.00 54.13 53.25 1k8r s LEU 52 Cb 0.05 -1.44 -0.04 0.00 -0.43 0.00 0.00 46.19 44.33 1k8r s LEU 52 CO 0.05 -0.29 0.39 -1.48 -0.29 0.00 0.00 176.35 174.73 1k8r s LEU 53 N 1.14 4.18 -0.42 -0.68 0.05 -1.18 -2.32 118.68 119.44 1k8r s LEU 53 Ca 0.01 0.54 -0.18 0.00 0.05 0.00 0.00 54.13 54.55 1k8r s LEU 53 Cb -0.19 -2.52 0.02 0.00 -2.05 0.00 0.00 46.19 41.45 1k8r s LEU 53 CO -0.08 -0.05 0.48 -0.62 -0.55 0.00 0.00 176.35 175.53 1k8r s ASP 54 N 0.93 6.22 -0.26 1.48 -1.08 0.55 -2.87 116.67 121.64 1k8r s ASP 54 Ca 0.19 -0.58 -0.10 0.00 -0.52 0.00 0.00 52.55 51.55 1k8r s ASP 54 Cb -0.15 -2.24 -0.04 0.00 -1.46 0.00 0.00 42.92 39.03 1k8r s ASP 54 CO 0.08 -0.62 0.14 -0.63 0.52 0.00 0.00 175.17 174.66 1k8r s ILE 55 N 2.29 4.98 -0.31 4.11 1.01 0.93 -0.37 121.20 133.84 1k8r s ILE 55 Ca 0.14 0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.73 1k8r s ILE 55 Cb -0.16 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1k8r s ILE 55 CO 0.15 0.30 0.21 -0.22 0.00 0.00 0.00 174.94 175.38 1k8r s LEU 56 N 1.55 4.24 -0.44 2.97 2.96 0.85 -0.21 118.68 130.60 1k8r s LEU 56 Ca 0.07 -0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 53.56 1k8r s LEU 56 Cb -0.15 -2.12 0.03 0.00 0.50 0.00 0.00 46.19 44.44 1k8r s LEU 56 CO 0.07 -0.14 0.57 -0.62 -1.32 0.00 0.00 176.35 174.91 1k8r s ASP 57 N 1.73 6.27 0.65 3.68 2.15 0.16 -1.34 116.67 129.98 1k8r s ASP 57 Ca 0.06 -0.50 -0.10 0.00 0.43 0.00 0.00 52.55 52.45 1k8r s ASP 57 Cb -0.17 -2.28 -0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1k8r s ASP 57 CO 0.10 -0.72 1.03 0.28 -0.17 0.00 0.00 175.17 175.70 1k8r s THR 58 N 2.56 3.87 -0.04 1.71 -1.32 -1.18 -2.64 115.64 118.60 1k8r s THR 58 Ca 0.18 0.48 -0.21 0.00 -1.21 0.00 0.00 61.69 60.92 1k8r s THR 58 Cb -0.15 -3.58 -0.05 0.00 -1.51 0.00 0.00 72.50 67.21 1k8r s THR 58 CO 0.17 -0.73 0.62 0.00 -2.21 0.00 0.00 174.62 172.47 1k8r s ALA 59 N -3.22 3.42 -0.18 11.08 0.00 -1.24 -4.83 121.76 126.78 1k8r s ALA 59 Ca 0.56 0.05 0.18 0.00 0.00 0.00 0.00 51.96 52.75 1k8r s ALA 59 Cb -0.11 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 1k8r s ALA 59 CO 0.51 0.03 1.09 0.78 0.00 0.00 0.00 175.76 178.17 1k8r h GLY 60 N 6.22 0.00 -4.29 0.00 0.00 -1.78 -3.46 103.07 99.76 1k8r h GLY 60 Ca -0.43 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.38 1k8r h GLY 60 CO 0.73 0.00 0.71 1.20 0.00 0.00 0.00 176.54 179.18 1k8r s GLN 61 N -3.06 4.33 0.11 4.80 1.11 -1.26 -3.59 119.66 122.09 1k8r s GLN 61 Ca 0.00 2.16 0.20 0.00 0.01 0.00 0.00 55.36 57.73 1k8r s GLN 61 Cb 0.08 -3.17 0.81 0.00 -1.01 0.00 0.00 33.01 29.73 1k8r s GLN 61 CO 0.78 -0.35 1.61 -0.85 0.01 0.00 0.00 175.29 176.49 1k8r n GLU 62 N 2.73 0.09 0.15 2.91 -0.00 -1.26 -2.26 120.64 123.00 1k8r n GLU 62 Ca 0.07 0.30 0.13 0.00 -0.00 0.00 0.00 57.16 57.66 1k8r n GLU 62 Cb 0.42 -1.66 0.51 0.00 -0.00 0.00 0.00 31.44 30.70 1k8r n GLU 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1k8r h GLU 63 N 0.00 0.00 -0.61 3.44 5.08 -1.98 -2.05 114.58 118.46 1k8r h GLU 63 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.93 1k8r h GLU 63 Cb 0.33 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.29 1k8r h GLU 63 CO 0.00 0.00 -0.39 0.66 -1.00 0.00 0.00 179.01 178.28 1k8r n TYR 64 N -2.34 2.15 0.00 4.33 4.02 -0.96 -4.90 117.16 119.46 1k8r n TYR 64 Ca 0.02 -2.13 0.00 0.00 -0.01 0.00 0.00 57.90 55.78 1k8r n TYR 64 Cb 0.25 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.05 1k8r n TYR 64 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1k8r n SER 65 N -0.87 0.00 0.00 7.72 3.41 -0.77 -4.05 113.62 119.05 1k8r n SER 65 Ca 0.42 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 1k8r n SER 65 Cb 0.90 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 1k8r n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k8r n ALA 66 N -1.44 0.00 -0.22 7.33 0.00 -1.26 -0.44 120.51 124.48 1k8r n ALA 66 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.73 1k8r n ALA 66 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.93 1k8r n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k8r h MET 67 N 0.00 0.00 -0.81 0.00 3.00 -2.00 -3.13 114.93 111.99 1k8r h MET 67 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 59.70 59.83 1k8r h MET 67 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 31.60 31.46 1k8r h MET 67 CO 0.00 0.00 -0.36 0.07 0.00 0.00 0.00 176.91 176.62 1k8r h ARG 68 N 0.00 -0.07 0.02 -0.10 0.11 -1.01 -3.13 114.38 110.21 1k8r h ARG 68 Ca 0.49 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.58 1k8r h ARG 68 Cb 2.84 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 33.94 1k8r h ARG 68 CO -0.01 -0.05 -0.04 -0.44 0.10 0.00 0.00 179.97 179.54 1k8r h ASP 69 N -0.07 -0.12 -0.85 0.08 3.45 -1.84 -1.69 116.42 115.38 1k8r h ASP 69 Ca 0.30 0.01 0.17 0.00 0.43 0.00 0.00 57.03 57.94 1k8r h ASP 69 Cb 0.58 0.04 -0.16 0.00 -0.56 0.00 0.00 39.33 39.23 1k8r h ASP 69 CO -0.85 -0.05 -0.20 1.67 -1.57 0.00 0.00 179.24 178.24 1k8r n GLN 70 N -2.60 -0.08 0.14 3.56 7.27 -1.19 -0.66 117.38 123.83 1k8r n GLN 70 Ca -0.01 1.32 0.04 0.00 0.07 0.00 0.00 57.00 58.42 1k8r n GLN 70 Cb 0.03 -1.98 0.03 0.00 2.41 0.00 0.00 30.24 30.74 1k8r n GLN 70 CO 0.00 0.00 0.00 0.10 0.07 0.00 0.00 177.06 177.23 1k8r h TYR 71 N 0.00 0.00 0.00 3.69 -0.00 -1.54 -3.22 116.97 115.90 1k8r h TYR 71 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.14 1k8r h TYR 71 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.37 1k8r h TYR 71 CO -0.64 0.41 0.00 -1.33 -0.00 0.00 0.00 178.16 176.60 1k8r n MET 72 N -3.14 0.17 -0.02 0.10 2.81 0.17 -3.58 117.12 113.63 1k8r n MET 72 Ca 0.01 0.20 -0.10 0.00 -1.81 0.00 0.00 57.70 56.00 1k8r n MET 72 Cb 0.71 -1.73 -0.08 0.00 -0.71 0.00 0.00 33.22 31.41 1k8r n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k8r h ARG 73 N 0.00 -0.08 -3.23 0.03 3.08 -1.36 -3.39 114.38 109.43 1k8r h ARG 73 Ca 0.00 0.01 -0.79 0.00 0.07 0.00 0.00 59.98 59.26 1k8r h ARG 73 Cb 0.59 0.02 -0.25 0.00 0.08 0.00 0.00 29.97 30.42 1k8r h ARG 73 CO 0.00 0.47 1.06 0.25 -1.07 0.00 0.00 179.97 180.68 1k8r n THR 74 N -4.78 4.96 -3.67 2.04 -2.24 -1.23 -4.90 114.28 104.46 1k8r n THR 74 Ca -0.07 -5.45 -0.10 0.00 -2.27 0.00 0.00 64.05 56.15 1k8r n THR 74 Cb 0.29 -2.23 -0.09 0.00 -2.10 0.00 0.00 70.33 66.20 1k8r n THR 74 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1k8r s GLY 75 N -0.54 -0.46 -0.11 3.38 0.00 -1.26 -4.97 107.32 103.37 1k8r s GLY 75 Ca 0.34 1.85 -0.22 0.00 0.00 0.00 0.00 44.72 46.68 1k8r s GLY 75 CO 0.05 1.84 0.70 0.83 0.00 0.00 0.00 173.10 176.53 1k8r h GLU 76 N 6.56 0.17 -6.21 2.90 5.08 -1.81 -3.48 114.58 117.79 1k8r h GLU 76 Ca -0.32 -0.28 -0.60 0.00 -1.00 0.00 0.00 59.36 57.16 1k8r h GLU 76 Cb 1.20 0.11 -0.15 0.00 0.50 0.00 0.00 28.75 30.40 1k8r h GLU 76 CO 0.21 1.14 -0.77 0.20 -1.00 0.00 0.00 179.01 178.78 1k8r s GLY 77 N -4.54 1.76 -0.04 -3.84 0.00 -0.84 -4.11 107.32 95.70 1k8r s GLY 77 Ca -0.18 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.77 1k8r s GLY 77 CO 0.75 -1.84 -0.02 -1.36 0.00 0.00 0.00 173.10 170.63 1k8r s PHE 78 N -2.33 0.52 -0.21 1.90 0.08 -0.74 -1.92 117.98 115.28 1k8r s PHE 78 Ca 0.26 -0.09 -0.04 0.00 0.12 0.00 0.00 56.93 57.18 1k8r s PHE 78 Cb -0.05 -0.56 -0.01 0.00 -0.57 0.00 0.00 43.02 41.83 1k8r s PHE 78 CO 0.12 -0.18 -0.05 -0.48 -0.10 0.00 0.00 175.22 174.53 1k8r s LEU 79 N 1.13 2.89 -0.22 -0.37 2.34 -0.88 -1.57 118.68 122.00 1k8r s LEU 79 Ca -0.08 -0.38 -0.20 0.00 0.06 0.00 0.00 54.13 53.53 1k8r s LEU 79 Cb -0.14 -1.73 -0.02 0.00 -0.56 0.00 0.00 46.19 43.74 1k8r s LEU 79 CO -0.01 0.00 0.63 0.00 -1.06 0.00 0.00 176.35 175.90 1k8r s VAL 81 N 2.16 3.09 0.08 0.00 1.01 0.11 -0.86 120.40 125.99 1k8r s VAL 81 Ca 0.27 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1k8r s VAL 81 Cb -0.16 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1k8r s VAL 81 CO 0.09 0.54 -0.11 0.72 0.00 0.00 0.00 175.10 176.35 1k8r s PHE 82 N 0.06 1.03 -0.21 5.22 -0.12 -0.92 -3.88 117.98 119.17 1k8r s PHE 82 Ca -0.05 -0.58 -0.10 0.00 -0.05 0.00 0.00 56.93 56.15 1k8r s PHE 82 Cb -0.14 -0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 41.62 1k8r s PHE 82 CO 0.04 0.00 0.14 0.00 -0.05 0.00 0.00 175.22 175.35 1k8r s ALA 83 N -1.98 3.67 -1.54 1.99 0.00 -1.26 -1.34 121.76 121.29 1k8r s ALA 83 Ca 0.01 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1k8r s ALA 83 Cb -0.06 -2.20 0.12 0.00 0.00 0.00 0.00 23.12 20.98 1k8r s ALA 83 CO 0.01 0.09 0.83 0.44 0.00 0.00 0.00 175.76 177.13 1k8r n ILE 84 N 3.66 0.84 -1.07 0.00 -6.64 -0.80 -0.99 119.36 114.36 1k8r n ILE 84 Ca -0.16 0.21 0.09 0.00 -1.77 0.00 0.00 62.75 61.12 1k8r n ILE 84 Cb 0.52 -1.17 0.19 0.00 -1.44 0.00 0.00 39.64 37.73 1k8r n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 1k8r n ASN 85 N -1.23 2.87 -3.52 7.28 6.94 -1.26 -2.28 115.26 124.06 1k8r n ASN 85 Ca 0.01 -3.10 -0.28 0.00 -0.02 0.00 0.00 54.58 51.19 1k8r n ASN 85 Cb 0.02 -0.48 -0.11 0.00 -2.36 0.00 0.00 39.78 36.85 1k8r n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1k8r s ASN 86 N -2.55 2.48 0.35 0.53 3.84 -0.16 -4.75 114.94 114.67 1k8r s ASN 86 Ca 0.36 -3.01 0.13 0.00 0.21 0.00 0.00 52.86 50.56 1k8r s ASN 86 Cb 0.31 -0.70 1.00 0.00 -0.55 0.00 0.00 41.25 41.31 1k8r s ASN 86 CO 0.05 -0.19 1.72 0.74 -2.79 0.00 0.00 177.10 176.63 1k8r h THR 87 N 4.73 0.48 -0.21 -5.21 2.02 -1.88 0.01 112.91 112.84 1k8r h THR 87 Ca 0.18 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 67.09 1k8r h THR 87 Cb 0.90 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1k8r h THR 87 CO 0.42 0.09 -0.32 0.50 0.37 0.00 0.00 175.52 176.58 1k8r h LYS 88 N 0.47 0.43 0.00 6.66 3.64 -1.94 -2.42 116.57 123.41 1k8r h LYS 88 Ca 0.66 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.82 1k8r h LYS 88 Cb 1.43 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 1k8r h LYS 88 CO -0.45 0.71 -0.17 0.66 -2.27 0.00 0.00 179.45 177.92 1k8r h SER 89 N 0.37 0.00 0.47 4.20 4.64 -1.33 -0.77 113.55 121.14 1k8r h SER 89 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1k8r h SER 89 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1k8r h SER 89 CO 0.06 0.17 -0.23 0.15 -0.87 0.00 0.00 176.83 176.12 1k8r h PHE 90 N 0.00 -0.59 -0.36 4.77 -0.00 -1.34 -3.04 116.94 116.37 1k8r h PHE 90 Ca -0.00 -0.01 0.10 0.00 -0.00 0.00 0.00 57.97 58.06 1k8r h PHE 90 Cb 0.34 0.19 -0.01 0.00 -0.00 0.00 0.00 35.95 36.47 1k8r h PHE 90 CO 0.00 -0.37 0.48 0.93 -0.00 0.00 0.00 178.31 179.36 1k8r h GLU 91 N -1.16 0.00 0.00 1.11 5.08 -1.34 0.23 114.58 118.50 1k8r h GLU 91 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1k8r h GLU 91 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1k8r h GLU 91 CO 0.11 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 177.68 1k8r h ASP 92 N 0.00 0.00 -0.10 1.42 3.32 -1.03 -3.27 116.42 116.76 1k8r h ASP 92 Ca 0.17 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1k8r h ASP 92 Cb 1.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1k8r h ASP 92 CO -0.00 0.00 0.04 0.40 -1.72 0.00 0.00 179.24 177.96 1k8r h ILE 93 N 0.00 1.07 0.13 0.35 1.08 -0.47 -2.89 117.51 116.77 1k8r h ILE 93 Ca 0.00 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1k8r h ILE 93 Cb 0.77 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 1k8r h ILE 93 CO 0.00 0.08 -0.06 -0.74 -0.69 0.00 0.00 178.15 176.73 1k8r h HIS 94 N 0.19 -0.16 0.00 1.37 2.76 -1.73 -0.93 115.15 116.65 1k8r h HIS 94 Ca 0.05 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.15 1k8r h HIS 94 Cb 0.06 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1k8r h HIS 94 CO 0.00 -0.08 -0.31 -0.56 -1.30 0.00 0.00 177.93 175.68 1k8r h GLN 95 N -0.20 0.00 -0.05 5.26 3.07 -1.74 -2.25 115.11 119.19 1k8r h GLN 95 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.71 1k8r h GLN 95 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.72 1k8r h GLN 95 CO 0.03 0.31 -0.01 1.88 0.09 0.00 0.00 178.83 181.13 1k8r h TYR 96 N 0.00 0.12 -0.52 0.06 0.05 -1.30 -2.24 116.97 113.13 1k8r h TYR 96 Ca -0.00 -0.03 0.10 0.00 0.05 0.00 0.00 58.73 58.85 1k8r h TYR 96 Cb 0.65 -0.03 -0.08 0.00 1.01 0.00 0.00 36.73 38.28 1k8r h TYR 96 CO 0.00 0.45 0.04 -0.09 -1.05 0.00 0.00 178.16 177.51 1k8r h ARG 97 N -0.24 0.15 -0.32 4.88 1.12 -0.84 -1.47 114.38 117.66 1k8r h ARG 97 Ca 0.01 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 1k8r h ARG 97 Cb 0.41 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.32 1k8r h ARG 97 CO 0.01 0.10 0.11 0.93 -3.11 0.00 0.00 179.97 178.01 1k8r h GLU 98 N 0.16 0.49 0.00 0.20 4.39 -1.40 -2.04 114.58 116.38 1k8r h GLU 98 Ca 0.27 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1k8r h GLU 98 Cb 0.40 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1k8r h GLU 98 CO -0.41 0.51 -0.05 1.96 -1.16 0.00 0.00 179.01 179.87 1k8r h GLN 99 N 0.36 0.00 0.16 2.33 4.20 -0.82 0.22 115.11 121.56 1k8r h GLN 99 Ca 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1k8r h GLN 99 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1k8r h GLN 99 CO -0.01 0.05 -0.08 0.82 -0.67 0.00 0.00 178.83 178.94 1k8r h ILE 100 N 0.00 0.55 0.00 2.54 2.04 -0.77 -2.95 117.51 118.92 1k8r h ILE 100 Ca -0.00 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1k8r h ILE 100 Cb 0.14 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1k8r h ILE 100 CO 0.01 0.16 0.00 2.29 0.00 0.00 0.00 178.15 180.61 1k8r n LYS 101 N -4.90 0.64 -0.08 2.37 2.85 -0.81 -2.28 118.16 115.95 1k8r n LYS 101 Ca -0.06 0.02 -0.22 0.00 -1.05 0.00 0.00 58.31 57.00 1k8r n LYS 101 Cb 0.21 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 32.97 1k8r n LYS 101 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1k8r n ARG 102 N -1.06 0.61 0.17 -1.58 0.00 0.73 -2.61 116.66 112.92 1k8r n ARG 102 Ca 0.16 0.49 0.03 0.00 -0.00 0.00 0.00 57.85 58.53 1k8r n ARG 102 Cb 0.10 -1.73 0.27 0.00 0.00 0.00 0.00 32.46 31.10 1k8r n ARG 102 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1k8r h VAL 103 N -0.75 1.14 0.00 5.15 -1.51 -1.44 -2.76 116.25 116.07 1k8r h VAL 103 Ca -0.38 -1.76 0.00 0.00 -1.23 0.00 0.00 66.70 63.32 1k8r h VAL 103 Cb 1.49 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 32.66 1k8r h VAL 103 CO -0.15 0.47 -0.42 0.50 -1.23 0.00 0.00 177.57 176.74 1k8r h LYS 104 N 0.00 0.00 -5.75 5.19 1.63 -1.62 -3.49 116.57 112.53 1k8r h LYS 104 Ca -0.00 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.52 1k8r h LYS 104 Cb 0.97 0.00 0.12 0.00 -0.60 0.00 0.00 32.23 32.72 1k8r h LYS 104 CO 0.06 0.00 -0.74 -3.47 -3.45 0.00 0.00 179.45 171.85 1k8r n ASP 105 N -2.80 -6.36 -3.63 4.20 4.64 -1.04 -5.02 116.55 106.54 1k8r n ASP 105 Ca 0.03 -0.71 -0.13 0.00 -1.38 0.00 0.00 54.79 52.60 1k8r n ASP 105 Cb 0.52 -4.47 -0.07 0.00 -1.04 0.00 0.00 41.12 36.06 1k8r n ASP 105 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 1k8r s SER 106 N -3.32 -0.72 -0.01 1.67 0.01 -1.12 -5.02 113.70 105.18 1k8r s SER 106 Ca 0.36 1.38 0.09 0.00 1.31 0.00 0.00 55.95 59.09 1k8r s SER 106 Cb -0.08 1.40 0.27 0.00 0.21 0.00 0.00 66.02 67.82 1k8r s SER 106 CO 0.79 -0.24 1.18 0.47 0.41 0.00 0.00 173.24 175.86 1k8r n ASP 107 N 2.68 1.77 -3.22 2.44 9.92 -1.26 -4.61 116.55 124.27 1k8r n ASP 107 Ca -0.14 -2.05 -0.01 0.00 -0.53 0.00 0.00 54.79 52.06 1k8r n ASP 107 Cb 0.55 -0.25 -0.03 0.00 -0.64 0.00 0.00 41.12 40.75 1k8r n ASP 107 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1k8r s ASP 108 N -0.90 -0.85 0.01 -2.24 3.68 -1.26 -5.14 116.67 109.96 1k8r s ASP 108 Ca 0.20 0.51 0.05 0.00 2.13 0.00 0.00 52.55 55.44 1k8r s ASP 108 Cb 0.11 1.79 -0.01 0.00 -1.45 0.00 0.00 42.92 43.35 1k8r s ASP 108 CO 0.12 -0.28 -0.15 -0.69 0.13 0.00 0.00 175.17 174.30 1k8r s VAL 109 N 2.75 1.18 0.19 1.11 1.01 -1.26 -5.10 120.40 120.27 1k8r s VAL 109 Ca 0.16 -0.77 -0.33 0.00 0.00 0.00 0.00 61.98 61.05 1k8r s VAL 109 Cb -0.14 -1.01 -0.13 0.00 0.00 0.00 0.00 36.38 35.10 1k8r s VAL 109 CO -0.21 0.23 1.69 -2.65 0.00 0.00 0.00 175.10 174.16 1k8r n PRO 110 N 2.44 2.60 -3.64 2.72 -0.02 -1.26 -4.95 135.00 132.88 1k8r n PRO 110 Ca -0.15 0.94 -0.02 0.00 -2.02 0.00 0.00 63.50 62.24 1k8r n PRO 110 Cb 0.55 -2.76 -0.04 0.00 -0.02 0.00 0.00 33.50 31.22 1k8r n PRO 110 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1k8r s MET 111 N 1.19 0.59 0.04 -0.52 1.75 -1.26 -1.79 119.30 119.30 1k8r s MET 111 Ca 0.77 1.39 0.04 0.00 -1.25 0.00 0.00 55.69 56.63 1k8r s MET 111 Cb -0.55 0.74 -0.04 0.00 2.84 0.00 0.00 34.83 37.82 1k8r s MET 111 CO 0.34 -0.19 -0.03 0.08 -0.65 0.00 0.00 175.02 174.58 1k8r s VAL 112 N 2.67 3.89 -0.21 10.11 1.01 -0.61 -4.38 120.40 132.90 1k8r s VAL 112 Ca -0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 1k8r s VAL 112 Cb -0.11 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1k8r s VAL 112 CO -0.19 0.26 -0.02 -0.22 0.00 0.00 0.00 175.10 174.93 1k8r s LEU 113 N -1.86 3.09 -0.12 3.92 2.96 -0.74 -0.83 118.68 125.09 1k8r s LEU 113 Ca 0.21 -0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 1k8r s LEU 113 Cb -0.11 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 1k8r s LEU 113 CO 0.13 0.03 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.47 1k8r s VAL 114 N 1.21 4.03 -0.54 1.68 1.01 -0.04 -1.04 120.40 126.71 1k8r s VAL 114 Ca 0.03 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 1k8r s VAL 114 Cb -0.14 -2.73 0.14 0.00 0.00 0.00 0.00 36.38 33.65 1k8r s VAL 114 CO 0.00 0.54 0.39 -0.83 0.00 0.00 0.00 175.10 175.20 1k8r s GLY 115 N -0.18 2.23 0.64 4.51 0.00 0.11 -2.16 107.32 112.47 1k8r s GLY 115 Ca 0.04 -2.83 -0.03 0.00 0.00 0.00 0.00 44.72 41.90 1k8r s GLY 115 CO 0.02 1.11 0.92 0.21 0.00 0.00 0.00 173.10 175.36 1k8r s ASN 116 N 1.87 4.94 -1.59 1.64 2.47 -0.45 -0.79 114.94 123.03 1k8r s ASN 116 Ca 0.11 0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.57 1k8r s ASN 116 Cb -0.22 -0.90 0.00 0.00 -1.45 0.00 0.00 41.25 38.68 1k8r s ASN 116 CO -0.03 -1.45 0.00 0.29 -3.72 0.00 0.00 177.10 172.19 1k8r n LYS 117 N -2.68 -1.26 0.00 0.43 5.02 -0.99 -1.91 118.16 116.76 1k8r n LYS 117 Ca 0.09 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 1k8r n LYS 117 Cb 0.60 -5.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.34 1k8r n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k8r n ASP 119 N -0.35 0.60 -4.84 0.00 5.75 -1.26 -4.92 116.55 111.53 1k8r n ASP 119 Ca 0.00 -0.31 -0.32 0.00 -0.01 0.00 0.00 54.79 54.15 1k8r n ASP 119 Cb 0.03 0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 40.50 1k8r n ASP 119 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1k8r s LEU 120 N -3.25 3.87 0.07 -2.12 1.43 -0.82 -4.99 118.68 112.87 1k8r s LEU 120 Ca 0.09 1.44 -0.00 0.00 -1.03 0.00 0.00 54.13 54.63 1k8r s LEU 120 Cb 0.16 -4.30 -0.26 0.00 0.03 0.00 0.00 46.19 41.82 1k8r s LEU 120 CO 0.74 -0.38 1.12 0.00 0.23 0.00 0.00 176.35 178.06 1k8r h ALA 121 N 1.63 0.22 -2.92 4.21 0.00 -1.91 -3.44 119.26 117.04 1k8r h ALA 121 Ca -0.48 -0.95 -0.53 0.00 0.00 0.00 0.00 54.91 52.95 1k8r h ALA 121 Cb 1.18 0.01 0.09 0.00 0.00 0.00 0.00 17.79 19.08 1k8r h ALA 121 CO 0.63 1.10 0.69 0.00 0.00 0.00 0.00 179.25 181.68 1k8r s ALA 122 N -2.66 3.41 -0.33 0.00 0.00 -1.26 -4.98 121.76 115.94 1k8r s ALA 122 Ca -0.03 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.35 1k8r s ALA 122 Cb 0.08 -3.55 0.19 0.00 0.00 0.00 0.00 23.12 19.84 1k8r s ALA 122 CO 0.86 -0.94 0.74 0.50 0.00 0.00 0.00 175.76 176.91 1k8r s ARG 123 N -2.14 0.51 0.00 0.00 3.52 -1.26 -4.65 118.95 114.93 1k8r s ARG 123 Ca 0.55 0.17 0.27 0.00 -0.13 0.00 0.00 55.73 56.58 1k8r s ARG 123 Cb -0.42 0.15 0.76 0.00 -1.56 0.00 0.00 34.95 33.87 1k8r s ARG 123 CO 0.56 -0.85 1.57 0.25 -0.81 0.00 0.00 175.30 176.02 1k8r n THR 124 N 4.87 0.00 -3.87 4.11 -2.24 -0.96 -4.79 114.28 111.39 1k8r n THR 124 Ca 0.08 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 61.38 1k8r n THR 124 Cb 0.57 0.59 -0.17 0.00 -2.10 0.00 0.00 70.33 69.22 1k8r n THR 124 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1k8r s VAL 125 N -2.27 0.92 0.60 2.28 0.11 -1.12 -4.83 120.40 116.09 1k8r s VAL 125 Ca 0.29 -0.33 -0.16 0.00 -2.93 0.00 0.00 61.98 58.86 1k8r s VAL 125 Cb 0.20 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1k8r s VAL 125 CO 0.44 0.26 1.07 -0.70 -3.33 0.00 0.00 175.10 172.83 1k8r s GLU 126 N 1.74 3.21 0.43 1.54 2.56 -1.26 -4.93 118.70 121.99 1k8r s GLU 126 Ca 0.04 1.27 0.18 0.00 0.00 0.00 0.00 54.97 56.46 1k8r s GLU 126 Cb -0.13 -2.01 0.97 0.00 2.00 0.00 0.00 34.13 34.95 1k8r s GLU 126 CO -0.08 -0.91 1.91 0.77 -0.56 0.00 0.00 175.26 176.40 1k8r h SER 127 N 0.41 0.00 -0.43 -1.70 0.02 -2.00 -2.64 113.55 107.22 1k8r h SER 127 Ca -0.47 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.37 1k8r h SER 127 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1k8r h SER 127 CO 0.57 0.27 -0.14 0.03 -1.14 0.00 0.00 176.83 176.41 1k8r h ARG 128 N 0.00 0.86 -0.92 3.45 2.47 -1.98 0.94 114.38 119.20 1k8r h ARG 128 Ca -0.00 -0.35 0.16 0.00 -1.26 0.00 0.00 59.98 58.53 1k8r h ARG 128 Cb 0.54 -0.04 -0.10 0.00 -1.65 0.00 0.00 29.97 28.72 1k8r h ARG 128 CO 0.03 0.98 0.52 1.96 0.56 0.00 0.00 179.97 184.02 1k8r h GLN 129 N 0.68 0.70 -0.04 0.04 4.20 -1.86 0.49 115.11 119.32 1k8r h GLN 129 Ca 0.10 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1k8r h GLN 129 Cb 0.69 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.32 1k8r h GLN 129 CO 0.05 0.46 -0.37 0.00 -0.67 0.00 0.00 178.83 178.30 1k8r h ALA 130 N 1.58 0.10 -0.23 3.87 0.00 -1.44 -2.72 119.26 120.42 1k8r h ALA 130 Ca 0.50 -0.48 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1k8r h ALA 130 Cb 0.71 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1k8r h ALA 130 CO -0.36 0.20 -0.22 1.96 0.00 0.00 0.00 179.25 180.83 1k8r h GLN 131 N -0.21 -0.22 -0.80 0.00 4.20 0.10 0.29 115.11 118.47 1k8r h GLN 131 Ca -0.03 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.75 1k8r h GLN 131 Cb 1.05 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.82 1k8r h GLN 131 CO 0.07 -0.15 0.49 -0.44 -0.67 0.00 0.00 178.83 178.13 1k8r h ASP 132 N -0.23 0.76 -0.10 1.46 3.32 -0.10 0.35 116.42 121.88 1k8r h ASP 132 Ca 0.13 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1k8r h ASP 132 Cb 0.43 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1k8r h ASP 132 CO -0.37 0.49 -0.10 0.25 -1.72 0.00 0.00 179.24 177.79 1k8r h LEU 133 N 0.89 0.26 -1.25 1.55 5.85 -0.99 -2.24 115.31 119.38 1k8r h LEU 133 Ca 0.35 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1k8r h LEU 133 Cb 0.16 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1k8r h LEU 133 CO -0.17 0.69 0.48 0.00 -0.34 0.00 0.00 178.44 179.10 1k8r h ALA 134 N 0.58 1.45 0.41 1.25 0.00 -0.26 -2.29 119.26 120.40 1k8r h ALA 134 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1k8r h ALA 134 Cb 0.62 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1k8r h ALA 134 CO 0.02 0.50 -0.19 -0.09 0.00 0.00 0.00 179.25 179.49 1k8r h ARG 135 N 1.00 -0.52 0.00 0.00 2.43 -0.83 -0.01 114.38 116.44 1k8r h ARG 135 Ca 0.27 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1k8r h ARG 135 Cb -0.10 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1k8r h ARG 135 CO -0.06 -0.34 0.00 0.66 -1.51 0.00 0.00 179.97 178.72 1k8r h SER 136 N -0.56 0.00 0.85 -3.80 4.64 -1.12 0.20 113.55 113.76 1k8r h SER 136 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1k8r h SER 136 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1k8r h SER 136 CO 0.09 0.00 -1.06 -1.22 -0.87 0.00 0.00 176.83 173.77 1k8r n TYR 137 N -2.67 0.79 -2.29 4.77 4.01 -0.87 -4.96 117.16 115.93 1k8r n TYR 137 Ca -0.01 0.23 -0.01 0.00 -0.16 0.00 0.00 57.90 57.95 1k8r n TYR 137 Cb 0.11 -0.85 0.00 0.00 -0.31 0.00 0.00 39.34 38.29 1k8r n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1k8r n GLY 138 N 1.22 0.63 3.34 2.72 0.00 0.71 -5.06 105.19 108.74 1k8r n GLY 138 Ca 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 45.11 1k8r n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1k8r s ILE 139 N -2.55 1.05 0.61 -0.61 -4.36 -0.32 -5.03 121.20 109.99 1k8r s ILE 139 Ca 0.01 -2.04 -0.09 0.00 -0.26 0.00 0.00 60.65 58.28 1k8r s ILE 139 Cb -0.01 -2.36 -0.02 0.00 1.25 0.00 0.00 42.46 41.32 1k8r s ILE 139 CO 0.02 -0.31 0.98 -2.16 0.24 0.00 0.00 174.94 173.70 1k8r s PRO 140 N -3.86 3.34 -0.03 0.37 0.04 -1.26 -4.28 135.00 129.32 1k8r s PRO 140 Ca 0.29 0.47 0.02 0.00 0.04 0.00 0.00 61.00 61.82 1k8r s PRO 140 Cb 0.06 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1k8r s PRO 140 CO 0.09 -0.61 -0.08 -0.47 0.04 0.00 0.00 177.00 175.97 1k8r s TYR 141 N -3.10 0.86 -0.01 0.56 5.04 -1.26 -1.79 117.35 117.65 1k8r s TYR 141 Ca 0.54 -0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.97 1k8r s TYR 141 Cb -0.11 -0.64 -0.00 0.00 0.35 0.00 0.00 41.96 41.56 1k8r s TYR 141 CO 0.50 -0.12 -0.06 0.42 -1.34 0.00 0.00 175.55 174.96 1k8r s ILE 142 N 0.34 0.50 -0.23 3.14 1.01 -0.20 -4.98 121.20 120.78 1k8r s ILE 142 Ca -0.05 -0.25 -0.10 0.00 0.00 0.00 0.00 60.65 60.25 1k8r s ILE 142 Cb -0.09 -0.44 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 1k8r s ILE 142 CO 0.00 0.15 0.14 -1.61 0.00 0.00 0.00 174.94 173.63 1k8r s GLU 143 N -0.01 4.07 0.31 2.79 2.02 -1.26 0.06 118.70 126.68 1k8r s GLU 143 Ca 0.01 -0.27 0.06 0.00 0.02 0.00 0.00 54.97 54.79 1k8r s GLU 143 Cb -0.04 -3.47 -0.06 0.00 0.10 0.00 0.00 34.13 30.66 1k8r s GLU 143 CO -0.00 0.13 -0.03 0.95 0.02 0.00 0.00 175.26 176.33 1k8r s THR 144 N 0.85 1.66 -0.27 3.63 -4.23 0.03 -4.35 115.64 112.95 1k8r s THR 144 Ca 0.07 -2.09 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 1k8r s THR 144 Cb -0.13 -2.62 0.10 0.00 1.34 0.00 0.00 72.50 71.19 1k8r s THR 144 CO 0.03 -0.18 0.17 -0.55 -0.54 0.00 0.00 174.62 173.54 1k8r s SER 145 N -3.51 2.77 0.47 3.99 0.15 -0.80 -2.17 113.70 114.61 1k8r s SER 145 Ca 0.32 -0.99 0.12 0.00 0.70 0.00 0.00 55.95 56.11 1k8r s SER 145 Cb 0.06 -0.08 1.10 0.00 -1.71 0.00 0.00 66.02 65.38 1k8r s SER 145 CO 0.14 -0.41 2.11 0.00 1.20 0.00 0.00 173.24 176.28 1k8r h ALA 146 N 8.37 1.87 0.08 5.45 0.00 -1.92 1.33 119.26 134.44 1k8r h ALA 146 Ca -0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1k8r h ALA 146 Cb 1.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1k8r h ALA 146 CO 0.38 0.12 -0.04 -0.22 0.00 0.00 0.00 179.25 179.49 1k8r h LYS 147 N 0.23 -0.11 0.00 0.00 3.64 -1.94 -3.20 116.57 115.20 1k8r h LYS 147 Ca 0.06 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1k8r h LYS 147 Cb -0.02 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1k8r h LYS 147 CO -0.01 -0.07 0.00 0.25 -2.27 0.00 0.00 179.45 177.35 1k8r n THR 148 N -2.38 0.00 -1.17 1.00 -2.24 -1.13 -4.84 114.28 103.52 1k8r n THR 148 Ca -0.01 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.71 1k8r n THR 148 Cb 0.04 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.63 1k8r n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1k8r n ARG 149 N -0.97 -1.34 -1.95 -0.78 0.63 0.45 -4.97 116.66 107.74 1k8r n ARG 149 Ca 0.16 0.63 -0.41 0.00 -0.92 0.00 0.00 57.85 57.31 1k8r n ARG 149 Cb 0.07 -4.76 -0.01 0.00 0.45 0.00 0.00 32.46 28.21 1k8r n ARG 149 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1k8r s GLN 150 N -2.18 4.23 0.00 -0.14 0.74 -0.85 -3.40 119.66 118.06 1k8r s GLN 150 Ca 0.00 2.40 0.00 0.00 0.05 0.00 0.00 55.36 57.81 1k8r s GLN 150 Cb 0.00 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 31.08 1k8r s GLN 150 CO 0.00 -0.38 0.00 0.41 -0.55 0.00 0.00 175.29 174.77 1k8r n GLY 151 N 0.82 0.00 0.18 2.59 0.00 -1.26 -1.90 105.19 105.62 1k8r n GLY 151 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1k8r n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k8r h VAL 152 N 0.00 0.93 -0.26 1.61 2.07 -1.88 -0.35 116.25 118.37 1k8r h VAL 152 Ca 0.00 -0.14 -0.13 0.00 0.82 0.00 0.00 66.70 67.25 1k8r h VAL 152 Cb 0.24 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1k8r h VAL 152 CO 0.00 0.07 -0.36 -0.33 0.02 0.00 0.00 177.57 176.97 1k8r h GLU 153 N 0.40 0.70 -0.72 1.57 5.08 -1.86 -3.06 114.58 116.69 1k8r h GLU 153 Ca 0.20 -0.41 0.16 0.00 -1.00 0.00 0.00 59.36 58.30 1k8r h GLU 153 Cb 0.14 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.31 1k8r h GLU 153 CO -0.16 1.03 0.12 -0.44 -1.00 0.00 0.00 179.01 178.56 1k8r h ASP 154 N 0.43 -0.09 0.78 1.42 3.45 -1.84 0.15 116.42 120.72 1k8r h ASP 154 Ca 0.03 0.15 -0.04 0.00 0.43 0.00 0.00 57.03 57.60 1k8r h ASP 154 Cb 0.95 0.23 0.01 0.00 -0.56 0.00 0.00 39.33 39.96 1k8r h ASP 154 CO 0.08 -0.07 -0.39 0.00 -1.57 0.00 0.00 179.24 177.29 1k8r h ALA 155 N 1.61 -1.28 -0.59 3.45 0.00 -0.98 -0.94 119.26 120.53 1k8r h ALA 155 Ca 0.40 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1k8r h ALA 155 Cb 0.68 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1k8r h ALA 155 CO -0.53 -1.21 0.37 0.74 0.00 0.00 0.00 179.25 178.62 1k8r h PHE 156 N -1.06 0.76 -0.53 0.00 -1.00 -1.42 -2.54 116.94 111.14 1k8r h PHE 156 Ca -0.11 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.64 1k8r h PHE 156 Cb 0.82 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 1k8r h PHE 156 CO 0.03 0.51 0.20 1.88 -1.61 0.00 0.00 178.31 179.32 1k8r h TYR 157 N 0.80 0.83 -0.05 -0.55 0.05 -1.01 -1.97 116.97 115.07 1k8r h TYR 157 Ca 0.21 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.94 1k8r h TYR 157 Cb -0.04 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.45 1k8r h TYR 157 CO -0.02 0.69 0.04 1.15 -1.05 0.00 0.00 178.16 178.97 1k8r h THR 158 N 0.73 0.96 -0.11 -2.88 2.02 -1.01 -0.30 112.91 112.32 1k8r h THR 158 Ca 0.18 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.23 1k8r h THR 158 Cb 0.23 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1k8r h THR 158 CO -0.01 0.00 -0.49 0.25 0.37 0.00 0.00 175.52 175.64 1k8r h LEU 159 N 0.00 0.30 0.25 2.58 7.12 -0.93 -0.99 115.31 123.64 1k8r h LEU 159 Ca 0.03 -0.14 -0.34 0.00 0.13 0.00 0.00 57.88 57.55 1k8r h LEU 159 Cb 0.10 -0.08 0.03 0.00 -0.53 0.00 0.00 40.66 40.18 1k8r h LEU 159 CO -0.00 0.74 -1.52 -0.37 -0.13 0.00 0.00 178.44 177.16 1k8r h VAL 160 N 0.22 1.23 0.00 1.05 -1.51 -0.96 -2.39 116.25 113.89 1k8r h VAL 160 Ca 0.01 -2.68 0.00 0.00 -1.23 0.00 0.00 66.70 62.80 1k8r h VAL 160 Cb 0.94 3.01 0.00 0.00 -2.13 0.00 0.00 31.29 33.11 1k8r h VAL 160 CO 0.08 0.82 0.00 0.03 -1.23 0.00 0.00 177.57 177.27 1k8r h ARG 161 N 0.14 0.00 0.07 5.19 3.08 -1.00 -1.53 114.38 120.33 1k8r h ARG 161 Ca -0.27 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.57 1k8r h ARG 161 Cb 2.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.21 1k8r h ARG 161 CO 0.26 0.00 -1.09 1.49 -1.07 0.00 0.00 179.97 179.57 1k8r h GLU 162 N 0.00 0.15 -0.73 0.04 4.57 -1.04 -3.28 114.58 114.29 1k8r h GLU 162 Ca 0.00 -0.26 0.03 0.00 -1.18 0.00 0.00 59.36 57.95 1k8r h GLU 162 Cb 0.04 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 1k8r h GLU 162 CO 0.00 1.13 0.46 0.82 -1.18 0.00 0.00 179.01 180.23 1k8r h ILE 163 N -0.58 1.10 -0.41 2.32 2.04 -0.78 -2.75 117.51 118.45 1k8r h ILE 163 Ca -0.25 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.32 1k8r h ILE 163 Cb 1.52 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1k8r h ILE 163 CO -0.00 0.16 0.24 0.03 0.00 0.00 0.00 178.15 178.58 1k8r h ARG 164 N 0.89 0.48 0.00 2.37 3.08 -1.53 -1.01 114.38 118.66 1k8r h ARG 164 Ca 0.29 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1k8r h ARG 164 Cb 0.03 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1k8r h ARG 164 CO -0.11 0.32 0.00 1.04 -1.07 0.00 0.00 179.97 180.14 1k8r n GLN 165 N -4.85 0.46 0.00 0.04 6.02 -1.05 -5.14 117.38 112.86 1k8r n GLN 165 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1k8r n GLN 165 Cb 0.06 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 29.92 1k8r n GLN 165 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63