#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqy s THR 2 N 0.00 0.74 -0.13 1.09 2.01 -1.26 -1.09 115.64 117.00 1hqy s THR 2 Ca 0.00 -0.48 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 1hqy s THR 2 Cb 0.00 -0.64 0.05 0.00 0.01 0.00 0.00 72.50 71.92 1hqy s THR 2 CO 0.00 0.16 0.03 -0.63 -0.69 0.00 0.00 174.62 173.48 1hqy s ILE 3 N -0.33 0.38 0.04 1.82 1.01 -0.85 -2.74 121.20 120.54 1hqy s ILE 3 Ca 0.03 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.53 1hqy s ILE 3 Cb -0.04 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1hqy s ILE 3 CO -0.00 -0.00 -0.10 -0.69 0.00 0.00 0.00 174.94 174.15 1hqy s VAL 4 N 1.94 3.39 -0.14 2.92 1.01 0.57 -2.41 120.40 127.67 1hqy s VAL 4 Ca 0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1hqy s VAL 4 Cb -0.15 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.79 1hqy s VAL 4 CO -0.07 0.30 0.09 -0.55 0.00 0.00 0.00 175.10 174.87 1hqy s SER 5 N -1.65 2.03 0.07 3.32 0.15 -0.09 0.05 113.70 117.58 1hqy s SER 5 Ca 0.18 -0.43 0.04 0.00 0.70 0.00 0.00 55.95 56.44 1hqy s SER 5 Cb -0.11 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.96 1hqy s SER 5 CO 0.09 -0.33 -0.02 -0.69 1.20 0.00 0.00 173.24 173.50 1hqy s VAL 6 N 2.15 3.92 -0.05 4.45 1.01 -1.20 -1.81 120.40 128.88 1hqy s VAL 6 Ca 0.03 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1hqy s VAL 6 Cb -0.15 -2.83 0.02 0.00 0.00 0.00 0.00 36.38 33.42 1hqy s VAL 6 CO -0.08 0.19 -0.06 -0.60 0.00 0.00 0.00 175.10 174.55 1hqy s ARG 7 N -2.09 1.05 -0.28 2.72 3.52 -1.26 -1.51 118.95 121.10 1hqy s ARG 7 Ca 0.23 -0.18 -0.18 0.00 -0.13 0.00 0.00 55.73 55.47 1hqy s ARG 7 Cb -0.12 -1.00 0.10 0.00 -1.56 0.00 0.00 34.95 32.37 1hqy s ARG 7 CO 0.15 -0.07 0.82 0.50 -0.81 0.00 0.00 175.30 175.90 1hqy s ARG 8 N 0.92 0.60 -0.59 5.12 3.52 0.13 -4.92 118.95 123.73 1hqy s ARG 8 Ca -0.11 0.95 -0.23 0.00 -0.13 0.00 0.00 55.73 56.21 1hqy s ARG 8 Cb -0.15 0.17 0.03 0.00 -1.56 0.00 0.00 34.95 33.45 1hqy s ARG 8 CO 0.00 -0.11 0.64 0.09 -0.81 0.00 0.00 175.30 175.12 1hqy n ASN 9 N 3.66 -5.53 -2.65 -2.12 3.02 -1.26 -1.71 115.26 108.68 1hqy n ASN 9 Ca -0.18 -0.39 -0.13 0.00 -0.03 0.00 0.00 54.58 53.85 1hqy n ASN 9 Cb 0.58 -2.05 -0.00 0.00 -0.61 0.00 0.00 39.78 37.69 1hqy n ASN 9 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hqy n GLY 10 N -0.76 -0.50 2.72 7.41 0.00 -1.26 -4.66 105.19 108.14 1hqy n GLY 10 Ca -0.15 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 1hqy n GLY 10 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hqy s HIS 11 N -2.60 -0.12 -0.10 1.61 3.76 -0.69 -1.55 115.29 115.60 1hqy s HIS 11 Ca 0.09 0.10 0.02 0.00 -0.15 0.00 0.00 55.06 55.12 1hqy s HIS 11 Cb -0.04 -0.45 0.01 0.00 1.11 0.00 0.00 32.58 33.20 1hqy s HIS 11 CO 0.11 -0.53 -0.17 0.54 -0.85 0.00 0.00 174.74 173.83 1hqy s VAL 12 N 2.26 1.56 0.41 -0.90 0.11 -0.95 0.17 120.40 123.06 1hqy s VAL 12 Ca 0.05 -0.70 0.05 0.00 -2.93 0.00 0.00 61.98 58.45 1hqy s VAL 12 Cb -0.15 -1.40 -0.06 0.00 -1.53 0.00 0.00 36.38 33.24 1hqy s VAL 12 CO -0.10 0.45 0.03 0.68 -3.33 0.00 0.00 175.10 172.83 1hqy s VAL 13 N 0.78 1.47 -0.16 2.04 -7.23 -0.57 -1.56 120.40 115.17 1hqy s VAL 13 Ca -0.11 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.02 1hqy s VAL 13 Cb -0.16 -2.70 0.08 0.00 0.56 0.00 0.00 36.38 34.16 1hqy s VAL 13 CO 0.02 0.00 0.28 -0.63 -0.31 0.00 0.00 175.10 174.46 1hqy s ILE 14 N -2.94 -0.44 -0.14 -0.62 1.01 -0.96 -3.24 121.20 113.87 1hqy s ILE 14 Ca 0.28 0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.09 1hqy s ILE 14 Cb 0.07 -0.55 -0.00 0.00 0.01 0.00 0.00 42.46 41.99 1hqy s ILE 14 CO 0.14 0.02 -0.17 0.00 0.00 0.00 0.00 174.94 174.93 1hqy s ALA 15 N 2.43 2.45 0.33 9.38 0.00 0.11 -2.46 121.76 133.99 1hqy s ALA 15 Ca 0.03 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.06 1hqy s ALA 15 Cb -0.13 -1.14 -0.06 0.00 0.00 0.00 0.00 23.12 21.78 1hqy s ALA 15 CO -0.10 0.06 -0.08 0.20 0.00 0.00 0.00 175.76 175.83 1hqy s GLY 16 N 0.68 2.09 0.00 0.00 0.00 -0.96 -0.32 107.32 108.81 1hqy s GLY 16 Ca -0.08 -2.04 0.00 0.00 0.00 0.00 0.00 44.72 42.60 1hqy s GLY 16 CO 0.02 -1.97 0.00 2.09 0.00 0.00 0.00 173.10 173.24 1hqy n ASP 17 N -0.73 0.00 -0.05 1.64 5.75 -1.11 -2.72 116.55 119.33 1hqy n ASP 17 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1hqy n ASP 17 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 1hqy n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hqy n GLY 18 N 5.00 -2.49 3.75 6.12 0.00 -1.04 -4.30 105.19 112.23 1hqy n GLY 18 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1hqy n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hqy s GLN 19 N 0.00 4.74 -0.09 1.61 0.74 -1.25 -0.85 119.66 124.55 1hqy s GLN 19 Ca 0.00 1.66 0.03 0.00 0.05 0.00 0.00 55.36 57.10 1hqy s GLN 19 Cb 0.00 -3.23 0.01 0.00 1.10 0.00 0.00 33.01 30.88 1hqy s GLN 19 CO 0.00 0.35 -0.19 0.00 -0.55 0.00 0.00 175.29 174.90 1hqy s ALA 20 N -1.13 1.78 -0.04 1.58 0.00 -0.01 -4.72 121.76 119.22 1hqy s ALA 20 Ca 0.43 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.72 1hqy s ALA 20 Cb -0.29 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 1hqy s ALA 20 CO 0.37 0.19 -0.25 0.99 0.00 0.00 0.00 175.76 177.06 1hqy s THR 21 N 0.53 1.97 -0.25 0.00 2.01 -1.26 -0.63 115.64 118.01 1hqy s THR 21 Ca -0.16 -1.05 -0.00 0.00 0.31 0.00 0.00 61.69 60.79 1hqy s THR 21 Cb -0.17 -1.65 0.07 0.00 0.01 0.00 0.00 72.50 70.76 1hqy s THR 21 CO 0.06 0.55 0.01 -0.22 -0.69 0.00 0.00 174.62 174.33 1hqy s LEU 22 N -0.38 2.31 0.00 4.42 0.20 -0.13 -4.89 118.68 120.22 1hqy s LEU 22 Ca 0.04 -1.26 0.00 0.00 0.69 0.00 0.00 54.13 53.59 1hqy s LEU 22 Cb -0.11 -1.00 0.00 0.00 -0.43 0.00 0.00 46.19 44.65 1hqy s LEU 22 CO 0.01 -0.30 0.00 0.61 -0.29 0.00 0.00 176.35 176.38 1hqy n GLY 23 N 4.77 2.68 0.41 7.98 0.00 -1.26 -1.98 105.19 117.79 1hqy n GLY 23 Ca -0.08 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.88 1hqy n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hqy n ASN 24 N 9.51 2.96 -4.29 1.61 3.02 -1.26 -5.01 115.26 121.80 1hqy n ASN 24 Ca 0.00 -2.99 -0.25 0.00 -0.03 0.00 0.00 54.58 51.30 1hqy n ASN 24 Cb 0.00 -0.45 -0.13 0.00 -0.61 0.00 0.00 39.78 38.58 1hqy n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1hqy s THR 25 N -2.74 1.78 -0.38 3.41 -4.23 -0.84 -5.11 115.64 107.53 1hqy s THR 25 Ca 0.35 -1.42 -0.26 0.00 -1.18 0.00 0.00 61.69 59.17 1hqy s THR 25 Cb 0.29 -1.58 0.02 0.00 1.34 0.00 0.00 72.50 72.57 1hqy s THR 25 CO 0.06 0.08 0.94 -0.69 -0.54 0.00 0.00 174.62 174.47 1hqy s VAL 26 N -0.99 4.56 -0.11 2.29 1.01 -1.26 -0.95 120.40 124.95 1hqy s VAL 26 Ca 0.08 1.19 -0.20 0.00 0.00 0.00 0.00 61.98 63.05 1hqy s VAL 26 Cb -0.10 -4.36 -0.17 0.00 0.00 0.00 0.00 36.38 31.76 1hqy s VAL 26 CO 0.03 -0.58 0.59 -0.03 0.00 0.00 0.00 175.10 175.12 1hqy h MET 27 N 8.53 -0.04 -4.75 2.72 4.05 -1.22 -3.48 114.93 120.75 1hqy h MET 27 Ca -0.23 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 58.92 1hqy h MET 27 Cb 1.08 0.01 -0.18 0.00 -0.80 0.00 0.00 31.60 31.71 1hqy h MET 27 CO 0.99 0.57 -0.72 0.21 0.23 0.00 0.00 176.91 178.20 1hqy s LYS 28 N -2.31 0.75 -0.00 0.39 2.20 -1.21 -4.98 119.74 114.57 1hqy s LYS 28 Ca -0.13 -1.09 0.02 0.00 -0.36 0.00 0.00 55.97 54.41 1hqy s LYS 28 Cb -0.01 -0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 35.92 1hqy s LYS 28 CO 0.46 0.04 0.04 0.41 -0.36 0.00 0.00 175.35 175.94 1hqy n GLY 29 N 0.65 -0.08 2.43 5.54 0.00 -1.25 -0.83 105.19 111.65 1hqy n GLY 29 Ca -0.17 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1hqy n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hqy n ASN 30 N -1.62 6.81 -4.70 1.61 2.04 -1.17 -3.84 115.26 114.39 1hqy n ASN 30 Ca -0.01 -3.79 -0.42 0.00 -0.44 0.00 0.00 54.58 49.93 1hqy n ASN 30 Cb 0.11 -0.82 -0.03 0.00 -2.53 0.00 0.00 39.78 36.51 1hqy n ASN 30 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1hqy s VAL 31 N -4.92 4.09 -0.81 3.53 1.01 -0.03 -4.95 120.40 118.32 1hqy s VAL 31 Ca 0.57 1.48 -0.23 0.00 0.00 0.00 0.00 61.98 63.80 1hqy s VAL 31 Cb 0.46 -3.95 0.06 0.00 0.00 0.00 0.00 36.38 32.96 1hqy s VAL 31 CO -0.12 0.08 1.19 -0.75 0.00 0.00 0.00 175.10 175.50 1hqy s LYS 32 N 1.46 3.32 0.00 2.72 2.20 -1.26 -4.20 119.74 123.99 1hqy s LYS 32 Ca 0.58 -0.88 0.22 0.00 -0.36 0.00 0.00 55.97 55.53 1hqy s LYS 32 Cb -0.28 -4.58 0.55 0.00 -1.51 0.00 0.00 37.83 32.01 1hqy s LYS 32 CO 0.27 -1.99 1.45 1.63 -0.36 0.00 0.00 175.35 176.35 1hqy n LYS 33 N 8.25 2.17 -4.16 4.03 5.02 -1.26 -4.89 118.16 127.33 1hqy n LYS 33 Ca 0.11 -1.77 -0.16 0.00 -2.02 0.00 0.00 58.31 54.47 1hqy n LYS 33 Cb 0.48 -1.46 -0.12 0.00 -0.02 0.00 0.00 35.03 33.91 1hqy n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hqy s VAL 34 N -1.64 0.76 0.15 -0.18 1.01 -1.26 -1.81 120.40 117.43 1hqy s VAL 34 Ca 0.35 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1hqy s VAL 34 Cb 0.20 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.87 1hqy s VAL 34 CO 0.29 -0.19 0.47 -2.11 0.00 0.00 0.00 175.10 173.56 1hqy n ARG 35 N 1.74 0.47 -4.61 2.72 1.85 -0.05 -4.99 116.66 113.78 1hqy n ARG 35 Ca -0.20 -0.96 -0.24 0.00 -1.00 0.00 0.00 57.85 55.45 1hqy n ARG 35 Cb 0.55 1.24 -0.14 0.00 -1.05 0.00 0.00 32.46 33.06 1hqy n ARG 35 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1hqy s ARG 36 N -2.04 1.27 0.15 2.89 0.52 -1.26 -1.21 118.95 119.27 1hqy s ARG 36 Ca 0.10 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1hqy s ARG 36 Cb -0.02 -1.32 -0.04 0.00 0.52 0.00 0.00 34.95 34.09 1hqy s ARG 36 CO 0.05 0.34 0.02 -0.51 0.02 0.00 0.00 175.30 175.22 1hqy s LEU 37 N -0.98 1.99 -0.57 2.53 1.43 -0.36 -4.85 118.68 117.88 1hqy s LEU 37 Ca 0.06 -1.18 -0.06 0.00 -1.03 0.00 0.00 54.13 51.91 1hqy s LEU 37 Cb -0.08 0.11 0.01 0.00 0.03 0.00 0.00 46.19 46.26 1hqy s LEU 37 CO 0.01 -0.64 0.62 0.00 0.23 0.00 0.00 176.35 176.57 1hqy n TYR 38 N -0.16 -3.01 -3.89 0.29 9.36 -1.26 -2.39 117.16 116.09 1hqy n TYR 38 Ca -0.06 1.18 -0.27 0.00 3.32 0.00 0.00 57.90 62.06 1hqy n TYR 38 Cb 0.63 -3.95 -0.04 0.00 -0.63 0.00 0.00 39.34 35.35 1hqy n TYR 38 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1hqy n ASN 39 N -1.13 -0.54 0.00 2.98 4.13 -1.26 -0.43 115.26 119.02 1hqy n ASN 39 Ca 0.05 -0.95 0.00 0.00 1.68 0.00 0.00 54.58 55.36 1hqy n ASN 39 Cb 0.47 -1.17 0.00 0.00 -1.54 0.00 0.00 39.78 37.54 1hqy n ASN 39 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1hqy n ASP 40 N -1.80 -4.07 -0.00 6.41 8.00 -1.24 -4.81 116.55 119.04 1hqy n ASP 40 Ca -0.19 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.14 1hqy n ASP 40 Cb 0.48 -2.85 -0.12 0.00 -0.02 0.00 0.00 41.12 38.60 1hqy n ASP 40 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1hqy h LYS 41 N 0.00 0.27 -5.89 -1.24 1.57 -0.82 -3.45 116.57 107.00 1hqy h LYS 41 Ca 0.00 -0.34 -0.60 0.00 -1.87 0.00 0.00 60.65 57.84 1hqy h LYS 41 Cb 0.68 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.03 1hqy h LYS 41 CO 0.00 1.07 -0.21 0.08 -0.57 0.00 0.00 179.45 179.82 1hqy s VAL 42 N -2.88 5.10 -0.13 0.50 1.01 -1.01 -4.61 120.40 118.39 1hqy s VAL 42 Ca -0.15 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.67 1hqy s VAL 42 Cb 0.01 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1hqy s VAL 42 CO 0.79 0.52 -0.22 0.27 0.00 0.00 0.00 175.10 176.45 1hqy s ILE 43 N -0.61 2.01 0.10 2.22 -4.36 -0.88 -1.22 121.20 118.46 1hqy s ILE 43 Ca 0.23 -0.96 0.08 0.00 -0.26 0.00 0.00 60.65 59.74 1hqy s ILE 43 Cb -0.16 -1.77 -0.04 0.00 1.25 0.00 0.00 42.46 41.75 1hqy s ILE 43 CO 0.12 0.54 -0.21 0.00 0.24 0.00 0.00 174.94 175.63 1hqy s ALA 44 N 0.69 1.84 0.10 2.27 0.00 -0.35 -1.81 121.76 124.50 1hqy s ALA 44 Ca -0.10 -1.26 0.07 0.00 0.00 0.00 0.00 51.96 50.66 1hqy s ALA 44 Cb -0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1hqy s ALA 44 CO 0.01 0.37 -0.17 0.20 0.00 0.00 0.00 175.76 176.17 1hqy s GLY 45 N -1.92 1.09 -0.09 0.00 0.00 -0.14 -0.87 107.32 105.39 1hqy s GLY 45 Ca 0.07 -1.19 -0.05 0.00 0.00 0.00 0.00 44.72 43.54 1hqy s GLY 45 CO 0.04 -1.22 0.21 -0.11 0.00 0.00 0.00 173.10 172.03 1hqy s PHE 46 N -1.46 -0.26 -0.40 1.90 -0.71 -0.75 -0.84 117.98 115.45 1hqy s PHE 46 Ca 0.05 0.65 -0.13 0.00 -1.04 0.00 0.00 56.93 56.46 1hqy s PHE 46 Cb -0.09 0.03 0.03 0.00 -1.21 0.00 0.00 43.02 41.78 1hqy s PHE 46 CO 0.04 -0.18 0.26 0.00 -1.34 0.00 0.00 175.22 173.99 1hqy s ALA 47 N 0.91 3.37 0.00 1.99 0.00 0.16 -4.89 121.76 123.31 1hqy s ALA 47 Ca -0.07 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1hqy s ALA 47 Cb -0.08 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1hqy s ALA 47 CO -0.05 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 174.65 1hqy n GLY 48 N 5.06 0.25 3.71 0.00 0.00 -1.26 -0.24 105.19 112.72 1hqy n GLY 48 Ca -0.11 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 1hqy n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hqy s GLY 49 N 0.00 2.47 0.16 -0.02 0.00 -1.26 -4.96 107.32 103.71 1hqy s GLY 49 Ca 0.00 0.83 -0.20 0.00 0.00 0.00 0.00 44.72 45.35 1hqy s GLY 49 CO 0.00 1.99 1.64 -0.84 0.00 0.00 0.00 173.10 175.89 1hqy h THR 50 N 4.48 0.45 -0.12 0.90 2.02 -1.98 -1.22 112.91 117.44 1hqy h THR 50 Ca -0.42 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 1hqy h THR 50 Cb 1.21 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1hqy h THR 50 CO 0.80 0.00 -0.21 0.00 0.37 0.00 0.00 175.52 176.48 1hqy h ALA 51 N 1.07 1.43 0.32 6.16 0.00 -1.98 0.11 119.26 126.37 1hqy h ALA 51 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1hqy h ALA 51 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1hqy h ALA 51 CO -0.43 0.40 -0.15 -0.44 0.00 0.00 0.00 179.25 178.63 1hqy h ASP 52 N 0.19 -0.36 -0.62 0.00 3.45 -1.72 0.11 116.42 117.46 1hqy h ASP 52 Ca 0.03 -0.08 0.04 0.00 0.43 0.00 0.00 57.03 57.46 1hqy h ASP 52 Cb 0.48 0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 39.30 1hqy h ASP 52 CO 0.03 -0.15 0.37 0.00 -1.57 0.00 0.00 179.24 177.93 1hqy h ALA 53 N 0.08 0.82 -0.10 3.45 0.00 -0.99 0.12 119.26 122.64 1hqy h ALA 53 Ca -0.04 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1hqy h ALA 53 Cb 0.41 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1hqy h ALA 53 CO 0.07 0.09 -0.39 0.35 0.00 0.00 0.00 179.25 179.36 1hqy h PHE 54 N 0.71 -1.11 -0.49 0.00 -0.00 -0.49 0.70 116.94 116.26 1hqy h PHE 54 Ca 0.26 0.04 0.09 0.00 -0.00 0.00 0.00 57.97 58.36 1hqy h PHE 54 Cb 0.08 0.50 -0.07 0.00 -0.00 0.00 0.00 35.95 36.46 1hqy h PHE 54 CO -0.06 -0.46 0.07 1.15 -0.00 0.00 0.00 178.31 179.01 1hqy h THR 55 N -0.49 0.70 0.78 4.41 2.02 0.09 -1.16 112.91 119.26 1hqy h THR 55 Ca 0.07 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 1hqy h THR 55 Cb 0.61 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1hqy h THR 55 CO -0.37 0.04 -0.37 -0.07 0.37 0.00 0.00 175.52 175.12 1hqy h LEU 56 N 0.20 -0.88 -2.04 2.58 3.38 0.83 -2.79 115.31 116.59 1hqy h LEU 56 Ca 0.25 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.35 1hqy h LEU 56 Cb 0.34 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1hqy h LEU 56 CO -0.34 -0.54 0.37 -0.26 0.09 0.00 0.00 178.44 177.75 1hqy h PHE 57 N -1.21 0.00 0.14 1.13 0.04 0.40 0.13 116.94 117.58 1hqy h PHE 57 Ca -0.11 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.68 1hqy h PHE 57 Cb 0.81 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.94 1hqy h PHE 57 CO -0.00 0.00 -0.22 1.49 -0.60 0.00 0.00 178.31 178.97 1hqy h GLU 58 N 0.00 -0.42 -0.36 1.51 4.57 -0.94 -2.03 114.58 116.92 1hqy h GLU 58 Ca 0.20 0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 58.25 1hqy h GLU 58 Cb 0.93 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 1hqy h GLU 58 CO -0.00 -0.28 -0.42 1.25 -1.18 0.00 0.00 179.01 178.38 1hqy h LEU 59 N -0.43 0.97 -1.07 1.64 5.85 -0.86 -3.05 115.31 118.36 1hqy h LEU 59 Ca 0.02 -0.46 0.24 0.00 0.84 0.00 0.00 57.88 58.52 1hqy h LEU 59 Cb 0.44 -0.27 -0.12 0.00 0.37 0.00 0.00 40.66 41.08 1hqy h LEU 59 CO -0.11 1.25 0.61 0.15 -0.34 0.00 0.00 178.44 180.01 1hqy h PHE 60 N 0.73 0.96 0.67 1.25 3.57 -0.81 0.18 116.94 123.49 1hqy h PHE 60 Ca 0.05 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1hqy h PHE 60 Cb 1.01 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 39.48 1hqy h PHE 60 CO 0.06 0.09 -0.32 0.93 -2.23 0.00 0.00 178.31 176.84 1hqy h GLU 61 N 0.57 -0.86 -0.48 1.11 5.08 -1.27 -2.08 114.58 116.65 1hqy h GLU 61 Ca 0.63 0.06 0.14 0.00 -1.00 0.00 0.00 59.36 59.19 1hqy h GLU 61 Cb 1.23 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 1hqy h GLU 61 CO -0.43 -0.54 0.52 0.00 -1.00 0.00 0.00 179.01 177.56 1hqy h ARG 62 N -1.12 0.00 0.00 2.33 3.08 -1.16 0.84 114.38 118.35 1hqy h ARG 62 Ca -0.09 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 1hqy h ARG 62 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1hqy h ARG 62 CO 0.15 0.00 -0.73 0.87 -1.07 0.00 0.00 179.97 179.19 1hqy h LYS 63 N 0.00 0.00 0.18 0.04 1.79 -0.27 -2.55 116.57 115.76 1hqy h LYS 63 Ca 0.23 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.40 1hqy h LYS 63 Cb 1.27 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.93 1hqy h LYS 63 CO -0.00 0.73 -1.35 -0.07 -1.08 0.00 0.00 179.45 177.68 1hqy h LEU 64 N 0.00 0.59 -1.09 2.94 3.38 0.13 -2.40 115.31 118.86 1hqy h LEU 64 Ca -0.01 -0.64 -0.08 0.00 0.09 0.00 0.00 57.88 57.25 1hqy h LEU 64 Cb 1.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1hqy h LEU 64 CO 0.10 1.50 -0.16 -0.33 0.09 0.00 0.00 178.44 179.64 1hqy h GLU 65 N 0.10 0.46 0.25 1.13 5.08 -1.12 4.35 114.58 124.83 1hqy h GLU 65 Ca -0.19 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1hqy h GLU 65 Cb 2.05 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.26 1hqy h GLU 65 CO 0.23 0.61 -0.12 0.52 -1.00 0.00 0.00 179.01 179.25 1hqy h MET 66 N 0.42 -0.32 -2.46 2.33 2.86 -1.46 -3.36 114.93 112.95 1hqy h MET 66 Ca 0.08 0.02 -0.78 0.00 -2.06 0.00 0.00 59.70 56.96 1hqy h MET 66 Cb 0.53 0.07 -0.30 0.00 0.06 0.00 0.00 31.60 31.96 1hqy h MET 66 CO 0.03 0.02 0.70 0.72 1.06 0.00 0.00 176.91 179.45 1hqy n HIS 67 N -5.07 2.78 -3.66 -0.22 8.25 -0.91 -4.89 115.22 111.50 1hqy n HIS 67 Ca -0.09 -2.80 -0.19 0.00 -0.26 0.00 0.00 57.72 54.38 1hqy n HIS 67 Cb 0.26 -1.11 0.01 0.00 1.12 0.00 0.00 29.99 30.27 1hqy n HIS 67 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1hqy n GLN 68 N 0.40 -0.68 -1.55 -0.41 6.02 -1.15 0.12 117.38 120.14 1hqy n GLN 68 Ca 0.38 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1hqy n GLN 68 Cb 0.30 -0.74 0.00 0.00 1.02 0.00 0.00 30.24 30.82 1hqy n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hqy n GLY 69 N -1.35 -0.21 3.59 1.08 0.00 1.43 -4.77 105.19 104.96 1hqy n GLY 69 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1hqy n GLY 69 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1hqy s HIS 70 N -1.31 2.12 0.09 1.61 5.04 0.33 -4.90 115.29 118.27 1hqy s HIS 70 Ca 0.00 0.62 -0.22 0.00 -1.54 0.00 0.00 55.06 53.93 1hqy s HIS 70 Cb 0.00 -4.26 -0.07 0.00 0.04 0.00 0.00 32.58 28.29 1hqy s HIS 70 CO 0.00 -2.28 1.36 1.25 -2.34 0.00 0.00 174.74 172.73 1hqy h LEU 71 N 13.35 -1.25 0.26 8.88 7.12 -1.86 -0.96 115.31 140.86 1hqy h LEU 71 Ca -0.29 0.17 -0.01 0.00 0.13 0.00 0.00 57.88 57.87 1hqy h LEU 71 Cb 1.13 0.51 0.00 0.00 -0.53 0.00 0.00 40.66 41.77 1hqy h LEU 71 CO 1.11 -0.26 -0.13 0.58 -0.13 0.00 0.00 178.44 179.61 1hqy h VAL 72 N -0.25 0.74 -0.12 1.05 2.07 -1.96 -0.71 116.25 117.08 1hqy h VAL 72 Ca 0.05 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 1hqy h VAL 72 Cb 0.38 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1hqy h VAL 72 CO -0.41 0.00 -0.27 0.11 0.02 0.00 0.00 177.57 177.02 1hqy h LYS 73 N -0.36 0.22 0.00 1.57 1.79 -1.95 0.50 116.57 118.34 1hqy h LYS 73 Ca -0.04 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1hqy h LYS 73 Cb 0.28 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1hqy h LYS 73 CO 0.06 0.48 0.00 0.00 -1.08 0.00 0.00 179.45 178.91 1hqy h ALA 74 N 1.53 1.00 0.08 3.86 0.00 -1.08 -2.47 119.26 122.17 1hqy h ALA 74 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.60 1hqy h ALA 74 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1hqy h ALA 74 CO 0.04 0.00 -1.92 0.00 0.00 0.00 0.00 179.25 177.38 1hqy n ALA 75 N -1.92 0.93 0.51 0.00 0.00 -0.28 -3.13 120.51 116.62 1hqy n ALA 75 Ca 0.04 -0.64 0.11 0.00 0.00 0.00 0.00 53.44 52.94 1hqy n ALA 75 Cb 0.40 -0.56 0.43 0.00 0.00 0.00 0.00 19.45 19.72 1hqy n ALA 75 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1hqy n VAL 76 N -3.70 0.79 0.07 0.00 3.14 0.16 -0.74 118.33 118.06 1hqy n VAL 76 Ca -0.34 0.16 -0.17 0.00 -2.96 0.00 0.00 64.34 61.02 1hqy n VAL 76 Cb 0.96 -0.99 -0.14 0.00 -1.06 0.00 0.00 33.84 32.61 1hqy n VAL 76 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1hqy h GLU 77 N 0.00 0.27 -0.14 1.45 4.39 -1.56 -2.91 114.58 116.09 1hqy h GLU 77 Ca 0.00 -0.47 -0.19 0.00 0.34 0.00 0.00 59.36 59.04 1hqy h GLU 77 Cb 0.38 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1hqy h GLU 77 CO 0.00 1.16 -0.69 1.25 -1.16 0.00 0.00 179.01 179.57 1hqy h LEU 78 N 0.07 0.67 -1.83 1.33 5.85 -1.23 -2.25 115.31 117.93 1hqy h LEU 78 Ca -0.23 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.06 1hqy h LEU 78 Cb 2.02 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.85 1hqy h LEU 78 CO 0.18 1.17 -0.08 0.00 -0.34 0.00 0.00 178.44 179.37 1hqy h ALA 79 N 0.83 1.10 0.12 1.25 0.00 -1.01 0.15 119.26 121.69 1hqy h ALA 79 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1hqy h ALA 79 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1hqy h ALA 79 CO 0.13 0.10 -0.06 -0.22 0.00 0.00 0.00 179.25 179.20 1hqy h LYS 80 N 0.00 -0.16 0.00 0.00 3.11 -1.24 -3.26 116.57 115.02 1hqy h LYS 80 Ca -0.00 0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.76 1hqy h LYS 80 Cb 0.40 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.65 1hqy h LYS 80 CO 0.01 0.30 -0.41 -0.44 -2.81 0.00 0.00 179.45 176.10 1hqy h ASP 81 N -0.89 0.00 0.35 4.20 5.19 -1.20 -3.03 116.42 121.04 1hqy h ASP 81 Ca -0.02 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 1hqy h ASP 81 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1hqy h ASP 81 CO 0.03 0.41 -0.17 -0.25 -3.12 0.00 0.00 179.24 176.14 1hqy h TRP 82 N 0.00 -0.43 0.00 4.55 2.91 -1.07 -0.69 115.95 121.22 1hqy h TRP 82 Ca -0.00 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 1hqy h TRP 82 Cb 0.82 0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.61 1hqy h TRP 82 CO 0.00 -0.27 -0.07 -0.09 -1.03 0.00 0.00 178.44 176.98 1hqy h ARG 83 N -0.47 0.00 0.00 2.65 1.12 -1.68 -2.63 114.38 113.38 1hqy h ARG 83 Ca -0.05 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1hqy h ARG 83 Cb 0.36 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.32 1hqy h ARG 83 CO 0.08 0.07 -0.20 1.15 -3.11 0.00 0.00 179.97 177.96 1hqy h THR 84 N 0.00 0.01 -3.05 0.20 2.02 -1.52 -3.46 112.91 107.12 1hqy h THR 84 Ca -0.00 -1.01 -0.55 0.00 0.77 0.00 0.00 66.41 65.62 1hqy h THR 84 Cb 0.40 0.02 0.08 0.00 -1.74 0.00 0.00 68.15 66.92 1hqy h THR 84 CO 0.01 0.00 0.77 -0.67 0.37 0.00 0.00 175.52 176.00 1hqy n ASP 85 N -4.71 3.41 0.20 4.18 -0.08 -0.27 -4.86 116.55 114.42 1hqy n ASP 85 Ca -0.03 1.15 -0.14 0.00 -1.51 0.00 0.00 54.79 54.25 1hqy n ASP 85 Cb 0.11 -1.53 -0.08 0.00 2.34 0.00 0.00 41.12 41.96 1hqy n ASP 85 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1hqy h ARG 86 N 4.52 -0.47 -0.01 -0.67 3.08 -1.89 0.79 114.38 119.75 1hqy h ARG 86 Ca -0.46 0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.63 1hqy h ARG 86 Cb 1.25 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 1hqy h ARG 86 CO 0.78 -0.20 -0.06 0.52 -1.07 0.00 0.00 179.97 179.94 1hqy h MET 87 N -0.70 -0.10 0.29 0.04 0.00 -1.96 -2.61 114.93 109.91 1hqy h MET 87 Ca -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 59.70 59.64 1hqy h MET 87 Cb 0.49 0.02 0.00 0.00 0.00 0.00 0.00 31.60 32.11 1hqy h MET 87 CO 0.08 -0.06 -0.14 -0.07 0.00 0.00 0.00 176.91 176.72 1hqy h LEU 88 N -0.10 -0.33 -1.78 1.22 3.38 -1.84 -2.77 115.31 113.08 1hqy h LEU 88 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1hqy h LEU 88 Cb 0.13 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1hqy h LEU 88 CO -0.07 -0.21 0.37 -0.09 0.09 0.00 0.00 178.44 178.54 1hqy h ARG 89 N -0.43 0.00 0.41 1.13 2.43 0.10 -2.94 114.38 115.07 1hqy h ARG 89 Ca -0.04 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1hqy h ARG 89 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1hqy h ARG 89 CO 0.07 0.00 -0.20 0.87 -1.51 0.00 0.00 179.97 179.20 1hqy h LYS 90 N 0.00 -0.53 -6.45 0.20 1.79 -1.16 -3.44 116.57 106.98 1hqy h LYS 90 Ca 0.00 0.04 -0.53 0.00 -2.18 0.00 0.00 60.65 57.97 1hqy h LYS 90 Cb 0.74 0.12 0.02 0.00 -1.58 0.00 0.00 32.23 31.53 1hqy h LYS 90 CO 0.00 -0.35 0.95 -0.48 -1.08 0.00 0.00 179.45 178.49 1hqy s LEU 91 N -6.67 4.36 -0.12 2.94 0.05 -1.11 -5.03 118.68 113.10 1hqy s LEU 91 Ca -0.08 2.41 0.01 0.00 0.05 0.00 0.00 54.13 56.52 1hqy s LEU 91 Cb 0.01 -3.57 -0.01 0.00 -2.05 0.00 0.00 46.19 40.57 1hqy s LEU 91 CO 0.24 -0.84 -0.15 -1.83 -0.55 0.00 0.00 176.35 173.22 1hqy s GLU 92 N 2.43 3.26 0.18 1.48 -1.05 -1.26 -5.03 118.70 118.70 1hqy s GLU 92 Ca 0.71 -0.72 -0.18 0.00 -0.15 0.00 0.00 54.97 54.62 1hqy s GLU 92 Cb -0.38 -2.55 0.04 0.00 -0.44 0.00 0.00 34.13 30.80 1hqy s GLU 92 CO 0.31 0.24 0.52 0.00 0.95 0.00 0.00 175.26 177.28 1hqy s ALA 93 N 0.27 -1.08 -0.16 -0.84 0.00 -1.26 -4.21 121.76 114.48 1hqy s ALA 93 Ca -0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 1hqy s ALA 93 Cb -0.16 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 1hqy s ALA 93 CO 0.06 -0.77 -0.09 -0.51 0.00 0.00 0.00 175.76 174.45 1hqy s LEU 94 N -2.84 2.89 -0.01 0.00 1.43 0.66 -4.44 118.68 116.37 1hqy s LEU 94 Ca 0.06 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1hqy s LEU 94 Cb -0.01 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1hqy s LEU 94 CO -0.06 0.12 0.06 -0.76 0.23 0.00 0.00 176.35 175.94 1hqy s LEU 95 N 0.62 3.81 -0.26 1.79 1.02 -0.60 -0.66 118.68 124.41 1hqy s LEU 95 Ca -0.05 0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.22 1hqy s LEU 95 Cb -0.15 -2.19 0.07 0.00 0.02 0.00 0.00 46.19 43.94 1hqy s LEU 95 CO 0.03 0.28 0.00 0.00 0.02 0.00 0.00 176.35 176.68 1hqy s ALA 96 N -1.15 1.85 -0.07 4.21 0.00 -0.02 -1.25 121.76 125.33 1hqy s ALA 96 Ca 0.22 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.73 1hqy s ALA 96 Cb -0.12 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 1hqy s ALA 96 CO 0.12 -1.35 -0.12 0.08 0.00 0.00 0.00 175.76 174.50 1hqy s VAL 97 N 1.45 3.27 0.13 0.00 1.01 -0.60 -0.97 120.40 124.69 1hqy s VAL 97 Ca 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 1hqy s VAL 97 Cb -0.18 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1hqy s VAL 97 CO -0.11 0.58 0.15 0.00 0.00 0.00 0.00 175.10 175.73 1hqy s ALA 98 N -0.62 0.33 0.00 5.51 0.00 -0.75 -0.53 121.76 125.70 1hqy s ALA 98 Ca 0.09 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1hqy s ALA 98 Cb -0.11 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1hqy s ALA 98 CO 0.01 -0.54 0.00 -0.40 0.00 0.00 0.00 175.76 174.84 1hqy n ASP 99 N -0.11 0.00 -0.33 0.00 5.75 -1.19 -2.08 116.55 118.59 1hqy n ASP 99 Ca -0.09 -0.15 0.18 0.00 -0.01 0.00 0.00 54.79 54.72 1hqy n ASP 99 Cb 0.63 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 41.11 1hqy n ASP 99 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1hqy h GLU 100 N 0.00 0.44 0.00 0.11 4.57 -1.98 -3.34 114.58 114.38 1hqy h GLU 100 Ca 0.00 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.02 1hqy h GLU 100 Cb 0.00 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1hqy h GLU 100 CO 0.00 0.29 -1.60 0.25 -1.18 0.00 0.00 179.01 176.77 1hqy n THR 101 N -4.98 0.51 -3.51 0.32 -2.24 -1.26 -5.03 114.28 98.09 1hqy n THR 101 Ca 0.27 -0.36 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 1hqy n THR 101 Cb 0.78 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 1hqy n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hqy s ALA 102 N -2.32 -1.61 -0.12 6.98 0.00 -1.25 -5.15 121.76 118.29 1hqy s ALA 102 Ca -0.04 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.84 1hqy s ALA 102 Cb 0.03 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 1hqy s ALA 102 CO 0.39 -0.51 -0.15 -1.12 0.00 0.00 0.00 175.76 174.37 1hqy s SER 103 N -1.79 3.82 0.29 0.00 0.01 -1.26 -3.16 113.70 111.61 1hqy s SER 103 Ca -0.06 -0.37 -0.00 0.00 1.31 0.00 0.00 55.95 56.82 1hqy s SER 103 Cb -0.01 -1.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.66 1hqy s SER 103 CO 0.01 0.17 0.32 -1.48 0.41 0.00 0.00 173.24 172.67 1hqy s LEU 104 N 0.31 1.21 0.14 2.44 0.05 0.31 -4.60 118.68 118.54 1hqy s LEU 104 Ca -0.12 -1.48 0.06 0.00 0.05 0.00 0.00 54.13 52.64 1hqy s LEU 104 Cb -0.16 0.92 -0.04 0.00 -2.05 0.00 0.00 46.19 44.86 1hqy s LEU 104 CO 0.06 -1.08 0.00 -0.63 -0.55 0.00 0.00 176.35 174.15 1hqy s ILE 105 N -3.58 3.86 -0.17 1.48 -1.09 0.85 -1.56 121.20 120.99 1hqy s ILE 105 Ca 0.35 -1.23 -0.05 0.00 -2.23 0.00 0.00 60.65 57.49 1hqy s ILE 105 Cb 0.02 -2.90 0.06 0.00 -1.58 0.00 0.00 42.46 38.07 1hqy s ILE 105 CO 0.19 -0.01 0.08 -0.63 -1.23 0.00 0.00 174.94 173.34 1hqy s ILE 106 N -1.54 0.00 0.35 2.92 1.01 -0.38 -3.08 121.20 120.49 1hqy s ILE 106 Ca 0.27 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.78 1hqy s ILE 106 Cb -0.10 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1hqy s ILE 106 CO 0.18 -0.27 0.21 0.42 0.00 0.00 0.00 174.94 175.49 1hqy s THR 107 N 2.10 3.04 -1.68 2.92 -4.23 -0.94 -1.56 115.64 115.29 1hqy s THR 107 Ca 0.02 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1hqy s THR 107 Cb -0.16 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1hqy s THR 107 CO -0.09 -0.14 0.59 0.61 -0.54 0.00 0.00 174.62 175.05 1hqy n GLY 108 N -1.26 -0.14 2.25 3.99 0.00 -1.26 -3.35 105.19 105.43 1hqy n GLY 108 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1hqy n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hqy n ASN 109 N -0.29 4.97 -3.15 1.61 4.13 -1.26 -4.25 115.26 117.02 1hqy n ASN 109 Ca 0.00 -3.74 -0.16 0.00 1.68 0.00 0.00 54.58 52.36 1hqy n ASN 109 Cb 0.06 -0.43 -0.03 0.00 -1.54 0.00 0.00 39.78 37.84 1hqy n ASN 109 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1hqy n GLY 110 N -0.61 -0.43 3.31 7.41 0.00 -1.21 -4.87 105.19 108.79 1hqy n GLY 110 Ca 0.43 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 46.12 1hqy n GLY 110 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hqy s ASP 111 N -2.35 4.27 -0.71 1.61 2.15 -1.26 -4.96 116.67 115.42 1hqy s ASP 111 Ca 0.31 -0.39 -0.01 0.00 0.43 0.00 0.00 52.55 52.89 1hqy s ASP 111 Cb -0.18 -1.73 0.18 0.00 -0.30 0.00 0.00 42.92 40.89 1hqy s ASP 111 CO 0.38 -0.01 0.53 -0.69 -0.17 0.00 0.00 175.17 175.21 1hqy s VAL 112 N 1.44 3.70 0.41 1.11 1.01 -1.26 -2.21 120.40 124.59 1hqy s VAL 112 Ca 0.05 -3.44 -0.18 0.00 0.00 0.00 0.00 61.98 58.41 1hqy s VAL 112 Cb -0.14 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 1hqy s VAL 112 CO -0.03 -0.95 0.88 -0.69 0.00 0.00 0.00 175.10 174.31 1hqy s VAL 113 N -0.65 4.51 -0.48 2.92 1.01 -1.18 -4.83 120.40 121.70 1hqy s VAL 113 Ca 0.21 1.26 0.05 0.00 0.00 0.00 0.00 61.98 63.50 1hqy s VAL 113 Cb -0.15 -3.62 0.18 0.00 0.00 0.00 0.00 36.38 32.79 1hqy s VAL 113 CO -0.07 -0.33 0.41 1.67 0.00 0.00 0.00 175.10 176.78 1hqy n GLN 114 N -0.69 0.67 -0.94 2.72 7.27 -1.26 -0.10 117.38 125.05 1hqy n GLN 114 Ca 0.06 -3.50 -0.33 0.00 0.07 0.00 0.00 57.00 53.29 1hqy n GLN 114 Cb 0.54 -1.76 0.03 0.00 2.41 0.00 0.00 30.24 31.46 1hqy n GLN 114 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1hqy n PRO 115 N 2.42 0.00 0.00 3.69 -0.04 -1.26 -4.80 135.00 135.01 1hqy n PRO 115 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1hqy n PRO 115 Cb 0.46 -0.92 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 1hqy n PRO 115 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1hqy n GLU 116 N 2.19 0.00 0.00 0.54 4.71 -1.26 -2.47 120.64 124.36 1hqy n GLU 116 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1hqy n GLU 116 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.93 1hqy n GLU 116 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1hqy n ASN 117 N 0.00 1.06 -0.31 1.62 3.02 -1.26 -4.58 115.26 114.81 1hqy n ASN 117 Ca 0.00 -0.92 -0.04 0.00 -0.03 0.00 0.00 54.58 53.59 1hqy n ASN 117 Cb 0.00 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 38.92 1hqy n ASN 117 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1hqy n ASP 118 N 0.60 -3.57 -4.52 6.41 9.92 -1.03 -4.68 116.55 119.68 1hqy n ASP 118 Ca 0.00 0.10 -0.43 0.00 -0.53 0.00 0.00 54.79 53.93 1hqy n ASP 118 Cb 0.19 -1.43 -0.04 0.00 -0.64 0.00 0.00 41.12 39.20 1hqy n ASP 118 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1hqy s LEU 119 N -0.92 4.14 -0.16 0.64 2.96 -1.26 -4.57 118.68 119.51 1hqy s LEU 119 Ca 0.00 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1hqy s LEU 119 Cb 0.00 -2.82 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 1hqy s LEU 119 CO 0.00 -1.21 0.13 -0.63 -1.32 0.00 0.00 176.35 173.32 1hqy s ILE 120 N 3.89 5.39 -0.46 6.68 1.01 -0.75 -4.65 121.20 132.31 1hqy s ILE 120 Ca 0.30 0.17 0.06 0.00 0.00 0.00 0.00 60.65 61.18 1hqy s ILE 120 Cb -0.13 -3.40 0.19 0.00 0.01 0.00 0.00 42.46 39.13 1hqy s ILE 120 CO 0.19 0.53 0.57 0.00 0.00 0.00 0.00 174.94 176.23 1hqy n ALA 121 N 2.73 0.46 -1.98 9.38 0.00 -1.26 -0.91 120.51 128.93 1hqy n ALA 121 Ca -0.18 -2.11 -0.21 0.00 0.00 0.00 0.00 53.44 50.94 1hqy n ALA 121 Cb 0.54 -1.12 0.04 0.00 0.00 0.00 0.00 19.45 18.91 1hqy n ALA 121 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1hqy s ILE 122 N 0.35 2.62 0.00 0.00 -4.36 -1.01 -4.14 121.20 114.67 1hqy s ILE 122 Ca 0.32 -0.70 0.00 0.00 -0.26 0.00 0.00 60.65 60.00 1hqy s ILE 122 Cb 0.05 -2.92 0.00 0.00 1.25 0.00 0.00 42.46 40.84 1hqy s ILE 122 CO -0.13 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.66 1hqy n GLY 123 N -2.34 1.13 0.38 6.27 0.00 -1.26 -2.00 105.19 107.36 1hqy n GLY 123 Ca 0.09 -1.82 0.15 0.00 0.00 0.00 0.00 46.02 44.44 1hqy n GLY 123 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1hqy h SER 124 N 0.00 0.45 0.01 1.61 4.64 -1.51 0.29 113.55 119.04 1hqy h SER 124 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1hqy h SER 124 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1hqy h SER 124 CO 0.00 0.23 -0.04 0.61 -0.87 0.00 0.00 176.83 176.75 1hqy n GLY 125 N -1.50 0.11 0.37 -0.77 0.00 -1.12 -4.57 105.19 97.71 1hqy n GLY 125 Ca 0.15 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 1hqy n GLY 125 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1hqy h GLY 126 N 4.84 0.05 0.36 -0.02 0.00 -0.49 -1.78 103.07 106.02 1hqy h GLY 126 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 47.33 47.88 1hqy h GLY 126 CO 0.00 -0.21 -0.18 -2.55 0.00 0.00 0.00 176.54 173.61 1hqy h PRO 127 N -0.04 -0.19 -0.31 4.80 0.11 -1.78 0.60 132.00 135.18 1hqy h PRO 127 Ca 0.32 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.52 1hqy h PRO 127 Cb 0.59 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 31.67 1hqy h PRO 127 CO -0.92 -0.13 -0.16 1.88 -0.21 0.00 0.00 178.00 178.45 1hqy h TYR 128 N -0.20 -0.41 -0.74 0.65 0.05 -1.69 0.50 116.97 115.13 1hqy h TYR 128 Ca 0.11 0.04 0.07 0.00 0.05 0.00 0.00 58.73 59.00 1hqy h TYR 128 Cb 0.37 0.23 -0.06 0.00 1.01 0.00 0.00 36.73 38.27 1hqy h TYR 128 CO -0.31 -0.24 0.42 0.00 -1.05 0.00 0.00 178.16 176.98 1hqy h ALA 129 N 1.10 1.01 -0.54 3.88 0.00 -0.83 -1.58 119.26 122.30 1hqy h ALA 129 Ca 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1hqy h ALA 129 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1hqy h ALA 129 CO -0.39 0.09 0.27 0.37 0.00 0.00 0.00 179.25 179.59 1hqy h GLN 130 N 0.75 0.77 -0.79 0.00 4.15 0.15 0.10 115.11 120.23 1hqy h GLN 130 Ca 0.34 -0.11 0.03 0.00 0.77 0.00 0.00 58.65 59.68 1hqy h GLN 130 Cb 0.24 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.75 1hqy h GLN 130 CO -0.21 0.62 0.51 0.00 -1.93 0.00 0.00 178.83 177.82 1hqy h ALA 131 N 1.11 1.03 0.10 3.38 0.00 0.77 0.28 119.26 125.93 1hqy h ALA 131 Ca 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1hqy h ALA 131 Cb 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1hqy h ALA 131 CO -0.03 0.33 -0.05 0.00 0.00 0.00 0.00 179.25 179.51 1hqy h ALA 132 N 1.33 -0.13 -0.96 0.00 0.00 -1.10 -2.89 119.26 115.51 1hqy h ALA 132 Ca 0.31 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1hqy h ALA 132 Cb -0.01 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 1hqy h ALA 132 CO -0.11 -0.29 0.61 0.00 0.00 0.00 0.00 179.25 179.46 1hqy h ALA 133 N 0.10 1.66 0.86 0.00 0.00 -0.66 -1.53 119.26 119.69 1hqy h ALA 133 Ca -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1hqy h ALA 133 Cb 0.54 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1hqy h ALA 133 CO 0.02 0.08 -0.43 -0.09 0.00 0.00 0.00 179.25 178.83 1hqy h ARG 134 N 0.85 -1.13 -0.85 0.00 9.65 -0.97 0.97 114.38 122.91 1hqy h ARG 134 Ca 0.49 0.08 0.21 0.00 -1.10 0.00 0.00 59.98 59.65 1hqy h ARG 134 Cb 0.62 0.26 -0.12 0.00 -1.39 0.00 0.00 29.97 29.34 1hqy h ARG 134 CO -0.25 -0.75 0.30 0.00 2.80 0.00 0.00 179.97 182.07 1hqy h ALA 135 N -1.43 1.27 -0.11 2.80 0.00 -1.20 -1.59 119.26 119.01 1hqy h ALA 135 Ca -0.12 0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 1hqy h ALA 135 Cb 0.90 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1hqy h ALA 135 CO 0.18 -0.37 -0.75 -0.07 0.00 0.00 0.00 179.25 178.24 1hqy h LEU 136 N 0.32 0.85 0.00 0.00 4.07 -1.20 -2.41 115.31 116.94 1hqy h LEU 136 Ca 0.52 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1hqy h LEU 136 Cb 0.98 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1hqy h LEU 136 CO -0.55 1.38 0.00 -0.11 -1.08 0.00 0.00 178.44 178.07 1hqy n LEU 137 N -4.01 0.00 0.00 1.67 7.94 0.33 -2.20 117.00 120.73 1hqy n LEU 137 Ca -0.08 0.22 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 1hqy n LEU 137 Cb 0.73 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1hqy n LEU 137 CO 0.52 -0.12 0.15 -0.62 -1.11 0.00 0.00 177.39 176.20 1hqy n GLU 138 N -1.22 0.87 -0.65 1.96 1.02 -0.87 -4.77 120.64 116.97 1hqy n GLU 138 Ca 0.07 -0.29 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1hqy n GLU 138 Cb 0.10 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 1hqy n GLU 138 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1hqy n ASN 139 N -0.21 0.13 -3.65 1.62 3.02 -0.92 -5.07 115.26 110.18 1hqy n ASN 139 Ca 0.00 -1.93 -0.15 0.00 -0.03 0.00 0.00 54.58 52.47 1hqy n ASN 139 Cb 0.04 -0.19 -0.07 0.00 -0.61 0.00 0.00 39.78 38.94 1hqy n ASN 139 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1hqy s THR 140 N 0.00 0.04 -1.63 3.41 -4.23 -0.94 -4.99 115.64 107.31 1hqy s THR 140 Ca 0.05 -0.30 0.13 0.00 -1.18 0.00 0.00 61.69 60.39 1hqy s THR 140 Cb 0.06 -0.81 0.44 0.00 1.34 0.00 0.00 72.50 73.52 1hqy s THR 140 CO -0.02 -0.16 1.33 -0.62 -0.54 0.00 0.00 174.62 174.60 1hqy n GLU 141 N 0.99 2.42 -1.36 3.99 -0.58 -1.26 -4.73 120.64 120.11 1hqy n GLU 141 Ca -0.20 -1.75 -0.36 0.00 -0.42 0.00 0.00 57.16 54.43 1hqy n GLU 141 Cb 0.57 -1.52 0.08 0.00 -0.57 0.00 0.00 31.44 30.00 1hqy n GLU 141 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1hqy n LEU 142 N 0.74 2.52 -4.94 -4.62 4.77 -1.26 -5.00 117.00 109.21 1hqy n LEU 142 Ca 0.16 0.66 -0.26 0.00 -0.03 0.00 0.00 56.01 56.54 1hqy n LEU 142 Cb 0.51 -1.33 0.11 0.00 -2.33 0.00 0.00 43.42 40.37 1hqy n LEU 142 CO 0.13 -2.42 0.67 -0.94 -1.33 0.00 0.00 177.39 173.50 1hqy s SER 143 N -1.52 4.29 0.13 -1.43 1.04 -1.26 -4.84 113.70 110.10 1hqy s SER 143 Ca 0.71 0.24 -0.27 0.00 0.48 0.00 0.00 55.95 57.10 1hqy s SER 143 Cb -0.36 -0.67 -0.05 0.00 0.10 0.00 0.00 66.02 65.04 1hqy s SER 143 CO 0.53 -1.94 1.61 0.00 0.98 0.00 0.00 173.24 174.42 1hqy h ALA 144 N -0.85 -0.46 -0.83 5.32 0.00 -1.83 -0.06 119.26 120.56 1hqy h ALA 144 Ca -0.43 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.52 1hqy h ALA 144 Cb 1.29 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 19.60 1hqy h ALA 144 CO 0.51 -0.83 0.52 -0.09 0.00 0.00 0.00 179.25 179.35 1hqy h ARG 145 N -0.46 0.94 -0.75 0.00 2.43 -1.89 -0.72 114.38 113.92 1hqy h ARG 145 Ca 0.07 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1hqy h ARG 145 Cb 0.56 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1hqy h ARG 145 CO -0.28 0.62 0.26 0.93 -1.51 0.00 0.00 179.97 179.99 1hqy h GLU 146 N 0.97 1.15 0.34 0.20 5.08 -1.79 -1.37 114.58 119.16 1hqy h GLU 146 Ca 0.35 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1hqy h GLU 146 Cb 0.10 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1hqy h GLU 146 CO -0.15 0.96 -0.16 0.82 -1.00 0.00 0.00 179.01 179.48 1hqy h ILE 147 N 1.11 0.67 0.07 3.13 1.08 -0.34 -1.74 117.51 121.49 1hqy h ILE 147 Ca 0.25 -0.43 0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1hqy h ILE 147 Cb 0.27 0.89 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 1hqy h ILE 147 CO -0.01 0.08 -0.35 0.00 -0.69 0.00 0.00 178.15 177.18 1hqy h ALA 148 N -0.14 -0.57 0.03 1.87 0.00 -1.11 0.61 119.26 119.96 1hqy h ALA 148 Ca -0.05 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1hqy h ALA 148 Cb 0.48 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1hqy h ALA 148 CO 0.08 -0.89 -0.23 0.93 0.00 0.00 0.00 179.25 179.15 1hqy h GLU 149 N -0.55 -0.36 -0.74 0.00 4.39 -1.30 0.43 114.58 116.46 1hqy h GLU 149 Ca 0.04 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1hqy h GLU 149 Cb 0.60 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 1hqy h GLU 149 CO -0.24 -0.24 0.24 0.87 -1.16 0.00 0.00 179.01 178.48 1hqy h LYS 150 N -0.37 1.14 0.39 2.33 1.57 -1.13 -1.06 116.57 119.45 1hqy h LYS 150 Ca 0.05 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1hqy h LYS 150 Cb 0.44 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1hqy h LYS 150 CO -0.18 0.97 -0.19 0.00 -0.57 0.00 0.00 179.45 179.47 1hqy h ALA 151 N 1.12 -0.53 -0.68 3.86 0.00 0.55 -2.16 119.26 121.42 1hqy h ALA 151 Ca 0.24 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1hqy h ALA 151 Cb 0.30 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1hqy h ALA 151 CO -0.01 -0.76 0.45 1.25 0.00 0.00 0.00 179.25 180.19 1hqy h LEU 152 N -0.61 0.48 -0.50 0.00 6.46 -0.02 -1.47 115.31 119.63 1hqy h LEU 152 Ca -0.05 0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.57 1hqy h LEU 152 Cb 0.45 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1hqy h LEU 152 CO 0.09 0.28 -0.41 0.44 -0.62 0.00 0.00 178.44 178.22 1hqy h ASP 153 N 0.53 0.82 -0.57 1.25 3.45 -0.98 -1.54 116.42 119.38 1hqy h ASP 153 Ca 0.32 -0.38 -0.06 0.00 0.43 0.00 0.00 57.03 57.33 1hqy h ASP 153 Cb 0.52 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.04 1hqy h ASP 153 CO -0.10 1.13 0.12 0.40 -1.57 0.00 0.00 179.24 179.21 1hqy h ILE 154 N 0.62 1.25 -0.97 0.35 5.03 -0.65 -2.30 117.51 120.85 1hqy h ILE 154 Ca 0.05 -0.92 0.01 0.00 -0.12 0.00 0.00 64.86 63.87 1hqy h ILE 154 Cb 0.97 0.76 -0.05 0.00 -3.03 0.00 0.00 36.82 35.48 1hqy h ILE 154 CO 0.09 0.34 0.63 0.00 -0.68 0.00 0.00 178.15 178.53 1hqy h ALA 155 N 1.01 1.23 0.00 1.87 0.00 -1.15 -1.35 119.26 120.87 1hqy h ALA 155 Ca 0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1hqy h ALA 155 Cb 0.38 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hqy h ALA 155 CO 0.01 0.63 -0.11 0.78 0.00 0.00 0.00 179.25 180.56 1hqy h GLY 156 N 1.32 0.00 1.50 0.00 0.00 -0.95 0.57 103.07 105.51 1hqy h GLY 156 Ca 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 1hqy h GLY 156 CO -0.07 0.00 -0.58 -0.55 0.00 0.00 0.00 176.54 175.33 1hqy h ASP 157 N 0.00 0.00 0.00 0.19 3.45 -0.72 -3.39 116.42 115.95 1hqy h ASP 157 Ca -0.00 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.21 1hqy h ASP 157 Cb 0.56 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.29 1hqy h ASP 157 CO 0.01 0.10 -1.79 -0.38 -1.57 0.00 0.00 179.24 175.61 1hqy n ILE 158 N -2.92 1.46 -2.16 0.35 5.41 -0.77 -4.95 119.36 115.78 1hqy n ILE 158 Ca 0.01 -0.14 -0.42 0.00 1.00 0.00 0.00 62.75 63.20 1hqy n ILE 158 Cb 0.58 -2.05 -0.03 0.00 -0.71 0.00 0.00 39.64 37.43 1hqy n ILE 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1hqy n ILE 160 N 4.90 0.87 -0.10 0.00 2.08 -1.26 -2.63 119.36 123.22 1hqy n ILE 160 Ca 0.14 0.25 0.08 0.00 0.56 0.00 0.00 62.75 63.78 1hqy n ILE 160 Cb 0.43 -1.15 0.18 0.00 -0.75 0.00 0.00 39.64 38.35 1hqy n ILE 160 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1hqy n TYR 161 N -2.12 0.52 -5.05 1.39 4.01 -1.26 -4.95 117.16 109.71 1hqy n TYR 161 Ca 0.02 -0.42 -0.28 0.00 -0.16 0.00 0.00 57.90 57.07 1hqy n TYR 161 Cb 0.21 -0.02 -0.16 0.00 -0.31 0.00 0.00 39.34 39.07 1hqy n TYR 161 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1hqy s THR 162 N -1.04 1.71 0.21 -0.72 2.01 -1.08 0.22 115.64 116.95 1hqy s THR 162 Ca 0.29 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1hqy s THR 162 Cb 0.16 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 71.25 1hqy s THR 162 CO 0.21 0.47 0.08 -0.46 -0.69 0.00 0.00 174.62 174.23 1hqy n ASN 163 N 2.50 2.10 -1.80 3.53 0.23 -1.26 -4.61 115.26 115.95 1hqy n ASN 163 Ca -0.15 -1.80 0.08 0.00 -0.53 0.00 0.00 54.58 52.17 1hqy n ASN 163 Cb 0.53 0.06 0.39 0.00 -2.08 0.00 0.00 39.78 38.68 1hqy n ASN 163 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1hqy n HIS 164 N -0.76 1.89 -2.87 -2.53 8.25 -1.26 -4.62 115.22 113.33 1hqy n HIS 164 Ca -0.04 -0.69 -0.41 0.00 -0.26 0.00 0.00 57.72 56.31 1hqy n HIS 164 Cb 0.25 -0.42 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 1hqy n HIS 164 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1hqy s PHE 165 N -2.45 3.48 0.29 4.41 5.36 -1.26 -5.00 117.98 122.80 1hqy s PHE 165 Ca 0.54 1.34 0.10 0.00 -0.96 0.00 0.00 56.93 57.95 1hqy s PHE 165 Cb 0.39 -3.02 -0.05 0.00 -0.34 0.00 0.00 43.02 40.00 1hqy s PHE 165 CO 0.19 -0.17 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.70 1hqy s HIS 166 N 1.84 2.50 -0.23 10.12 3.76 -1.26 -2.49 115.29 129.53 1hqy s HIS 166 Ca 0.41 -0.33 -0.05 0.00 -0.15 0.00 0.00 55.06 54.94 1hqy s HIS 166 Cb -0.17 -1.21 0.12 0.00 1.11 0.00 0.00 32.58 32.43 1hqy s HIS 166 CO 0.15 0.62 0.44 0.99 -0.85 0.00 0.00 174.74 176.09 1hqy s THR 167 N -2.45 -0.69 0.12 1.30 2.01 -1.10 -4.99 115.64 109.83 1hqy s THR 167 Ca 0.32 0.06 0.10 0.00 0.31 0.00 0.00 61.69 62.47 1hqy s THR 167 Cb -0.04 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1hqy s THR 167 CO 0.18 -0.01 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.24 1hqy s ILE 168 N 2.64 2.53 -0.07 1.82 1.09 -1.26 -2.27 121.20 125.67 1hqy s ILE 168 Ca 0.05 -1.63 -0.02 0.00 -1.10 0.00 0.00 60.65 57.95 1hqy s ILE 168 Cb -0.13 -2.14 0.03 0.00 -1.06 0.00 0.00 42.46 39.16 1hqy s ILE 168 CO -0.15 0.10 0.02 -1.61 -0.10 0.00 0.00 174.94 173.20 1hqy s GLU 169 N -2.08 0.38 0.27 2.79 0.41 -1.03 -5.00 118.70 114.44 1hqy s GLU 169 Ca 0.16 0.17 0.07 0.00 -0.41 0.00 0.00 54.97 54.96 1hqy s GLU 169 Cb -0.10 -0.89 -0.03 0.00 -1.78 0.00 0.00 34.13 31.33 1hqy s GLU 169 CO 0.08 -0.33 0.26 -2.00 -0.49 0.00 0.00 175.26 172.77 1hqy s GLU 170 N 2.04 3.00 -0.03 1.61 2.12 -1.26 -2.26 118.70 123.91 1hqy s GLU 170 Ca 0.05 -1.04 -0.01 0.00 0.36 0.00 0.00 54.97 54.33 1hqy s GLU 170 Cb -0.12 -2.62 0.03 0.00 0.26 0.00 0.00 34.13 31.67 1hqy s GLU 170 CO -0.05 0.34 0.05 -1.17 -0.54 0.00 0.00 175.26 173.89 1hqy s LEU 171 N -3.91 0.70 -0.18 2.70 2.96 -0.60 -4.99 118.68 115.35 1hqy s LEU 171 Ca 0.35 0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.31 1hqy s LEU 171 Cb -0.08 -0.08 -0.00 0.00 0.50 0.00 0.00 46.19 46.53 1hqy s LEU 171 CO 0.26 -0.18 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.57 1hqy s SER 172 N 1.50 3.88 0.00 3.68 0.01 -1.26 -2.25 113.70 119.27 1hqy s SER 172 Ca -0.04 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1hqy s SER 172 Cb -0.13 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.48 1hqy s SER 172 CO -0.03 0.04 0.00 0.00 0.41 0.00 0.00 173.24 173.66 1hqy n TYR 173 N 4.39 0.00 -0.21 2.43 0.18 -0.59 -5.02 117.16 118.33 1hqy n TYR 173 Ca -0.19 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.59 1hqy n TYR 173 Cb 0.51 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.47 1hqy n TYR 173 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41