#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 -0.66 -0.17 4.28 2.01 -1.26 -2.36 115.64 117.47 1hqy s THR 2 Ca 0.00 -0.14 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 1hqy s THR 2 Cb 0.00 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 1hqy s THR 2 CO 0.00 -0.17 0.04 -0.63 -0.69 0.00 0.00 174.62 173.17 1hqy s ILE 3 N 2.58 4.58 -0.04 1.82 -1.09 -0.02 -3.31 121.20 125.71 1hqy s ILE 3 Ca 0.12 -0.11 0.04 0.00 -2.23 0.00 0.00 60.65 58.47 1hqy s ILE 3 Cb -0.14 -3.05 -0.00 0.00 -1.58 0.00 0.00 42.46 37.69 1hqy s ILE 3 CO -0.22 0.47 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.11 1hqy s VAL 4 N 0.31 1.36 -0.01 2.92 1.01 -0.63 -1.61 120.40 123.75 1hqy s VAL 4 Ca 0.02 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.36 1hqy s VAL 4 Cb -0.13 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1hqy s VAL 4 CO 0.01 0.40 -0.15 -0.55 0.00 0.00 0.00 175.10 174.80 1hqy s SER 5 N 0.06 1.81 -0.05 3.32 0.15 -0.69 -0.22 113.70 118.08 1hqy s SER 5 Ca -0.04 -0.28 -0.05 0.00 0.70 0.00 0.00 55.95 56.29 1hqy s SER 5 Cb -0.11 -0.23 0.01 0.00 -1.71 0.00 0.00 66.02 63.98 1hqy s SER 5 CO 0.02 0.18 0.13 -0.69 1.20 0.00 0.00 173.24 174.08 1hqy s VAL 6 N -0.32 0.00 -0.09 4.45 1.01 -0.63 -1.88 120.40 122.95 1hqy s VAL 6 Ca 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1hqy s VAL 6 Cb -0.06 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.13 1hqy s VAL 6 CO -0.00 -0.01 -0.18 -0.60 0.00 0.00 0.00 175.10 174.31 1hqy s ARG 7 N 0.04 2.41 -0.29 2.72 3.52 -1.26 -1.31 118.95 124.78 1hqy s ARG 7 Ca -0.00 -0.66 -0.16 0.00 -0.13 0.00 0.00 55.73 54.78 1hqy s ARG 7 Cb -0.01 -1.88 0.16 0.00 -1.56 0.00 0.00 34.95 31.66 1hqy s ARG 7 CO 0.00 0.10 1.02 0.50 -0.81 0.00 0.00 175.30 176.12 1hqy s ARG 8 N 0.52 0.30 -0.77 5.12 3.52 -0.18 -4.95 118.95 122.52 1hqy s ARG 8 Ca -0.16 0.59 -0.00 0.00 -0.13 0.00 0.00 55.73 56.02 1hqy s ARG 8 Cb -0.17 0.18 -0.00 0.00 -1.56 0.00 0.00 34.95 33.40 1hqy s ARG 8 CO 0.06 -0.08 0.68 0.09 -0.81 0.00 0.00 175.30 175.25 1hqy n ASN 9 N 4.04 -7.13 -3.28 -2.12 3.02 -1.26 -3.01 115.26 105.53 1hqy n ASN 9 Ca -0.15 -0.28 -0.21 0.00 -0.03 0.00 0.00 54.58 53.90 1hqy n ASN 9 Cb 0.56 -4.50 -0.01 0.00 -0.61 0.00 0.00 39.78 35.22 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 -1.74 -0.48 2.97 7.41 0.00 -1.26 -4.94 105.19 107.15 1hqy n GLY 10 Ca -0.07 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.85 -0.06 -0.15 1.61 3.76 -1.16 -2.41 115.29 114.03 1hqy s HIS 11 Ca 0.36 0.16 -0.05 0.00 -0.15 0.00 0.00 55.06 55.38 1hqy s HIS 11 Cb -0.19 0.01 0.08 0.00 1.11 0.00 0.00 32.58 33.59 1hqy s HIS 11 CO 0.44 -0.07 0.29 0.54 -0.85 0.00 0.00 174.74 175.09 1hqy s VAL 12 N -0.13 -0.46 0.27 -0.90 0.11 -1.09 -1.01 120.40 117.19 1hqy s VAL 12 Ca -0.02 0.21 0.11 0.00 -2.93 0.00 0.00 61.98 59.35 1hqy s VAL 12 Cb -0.02 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 1hqy s VAL 12 CO 0.00 0.07 -0.10 0.68 -3.33 0.00 0.00 175.10 172.42 1hqy s VAL 13 N 2.46 2.98 -0.05 2.04 -7.23 -0.42 -2.68 120.40 117.49 1hqy s VAL 13 Ca 0.02 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.06 1hqy s VAL 13 Cb -0.12 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.26 1hqy s VAL 13 CO -0.10 -0.38 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.62 1hqy s ILE 14 N -2.39 0.71 -0.09 -0.62 1.09 -1.11 -1.61 121.20 117.18 1hqy s ILE 14 Ca 0.30 -0.21 -0.04 0.00 -1.10 0.00 0.00 60.65 59.61 1hqy s ILE 14 Cb -0.06 -0.71 0.05 0.00 -1.06 0.00 0.00 42.46 40.68 1hqy s ILE 14 CO 0.17 0.27 0.18 0.00 -0.10 0.00 0.00 174.94 175.46 1hqy s ALA 15 N 0.95 -0.28 0.44 9.38 0.00 0.70 -1.48 121.76 131.47 1hqy s ALA 15 Ca -0.10 0.68 0.06 0.00 0.00 0.00 0.00 51.96 52.60 1hqy s ALA 15 Cb -0.14 -0.78 -0.06 0.00 0.00 0.00 0.00 23.12 22.14 1hqy s ALA 15 CO 0.00 -0.48 0.04 0.20 0.00 0.00 0.00 175.76 175.52 1hqy s GLY 16 N 2.05 2.60 0.00 0.00 0.00 -1.16 -1.61 107.32 109.20 1hqy s GLY 16 Ca -0.00 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 42.91 1hqy s GLY 16 CO -0.06 -2.09 0.00 2.09 0.00 0.00 0.00 173.10 173.03 1hqy n ASP 17 N -1.09 0.00 -2.33 1.64 5.75 -1.21 -2.34 116.55 116.97 1hqy n ASP 17 Ca -0.08 -0.22 -0.00 0.00 -0.01 0.00 0.00 54.79 54.48 1hqy n ASP 17 Cb 0.67 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.80 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 1.92 3.62 6.12 0.00 -1.04 -4.29 105.19 116.52 1hqy n GLY 18 Ca 0.00 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.66 3.66 -0.12 1.61 0.74 -1.26 -0.36 119.66 121.27 1hqy s GLN 19 Ca 0.31 -0.40 0.02 0.00 0.05 0.00 0.00 55.36 55.35 1hqy s GLN 19 Cb 0.35 -3.04 -0.00 0.00 1.10 0.00 0.00 33.01 31.41 1hqy s GLN 19 CO -0.07 0.38 -0.20 0.00 -0.55 0.00 0.00 175.29 174.85 1hqy s ALA 20 N 0.03 2.34 0.25 1.58 0.00 -1.00 -4.43 121.76 120.54 1hqy s ALA 20 Ca 0.04 -0.95 0.11 0.00 0.00 0.00 0.00 51.96 51.16 1hqy s ALA 20 Cb -0.13 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 1hqy s ALA 20 CO 0.02 0.24 -0.17 0.99 0.00 0.00 0.00 175.76 176.83 1hqy s THR 21 N 0.39 2.64 -0.31 0.00 2.01 -1.26 -1.57 115.64 117.55 1hqy s THR 21 Ca -0.15 -2.20 0.02 0.00 0.31 0.00 0.00 61.69 59.67 1hqy s THR 21 Cb -0.17 -2.36 0.16 0.00 0.01 0.00 0.00 72.50 70.14 1hqy s THR 21 CO 0.07 -0.31 0.40 -0.22 -0.69 0.00 0.00 174.62 173.87 1hqy s LEU 22 N -3.30 -0.67 0.00 4.42 0.20 -0.85 -4.87 118.68 113.61 1hqy s LEU 22 Ca 0.28 -0.60 0.00 0.00 0.69 0.00 0.00 54.13 54.50 1hqy s LEU 22 Cb -0.06 1.02 0.00 0.00 -0.43 0.00 0.00 46.19 46.71 1hqy s LEU 22 CO 0.15 -0.34 0.00 0.61 -0.29 0.00 0.00 176.35 176.48 1hqy n GLY 23 N 5.16 1.88 0.32 7.98 0.00 -1.26 -3.12 105.19 116.15 1hqy n GLY 23 Ca 0.02 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 9.02 2.04 -4.02 1.61 3.02 -1.26 -5.04 115.26 120.62 1hqy n ASN 24 Ca 0.00 -3.46 -0.08 0.00 -0.03 0.00 0.00 54.58 51.01 1hqy n ASN 24 Cb 0.00 -0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 38.60 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 -3.02 0.17 -0.15 3.41 -4.23 -1.18 -5.15 115.64 105.50 1hqy s THR 25 Ca 0.35 -1.43 -0.20 0.00 -1.18 0.00 0.00 61.69 59.22 1hqy s THR 25 Cb 0.32 -1.10 -0.03 0.00 1.34 0.00 0.00 72.50 73.02 1hqy s THR 25 CO -0.02 -0.79 0.58 -0.69 -0.54 0.00 0.00 174.62 173.16 1hqy s VAL 26 N -3.11 5.09 -0.08 2.29 1.01 -1.26 -2.01 120.40 122.33 1hqy s VAL 26 Ca -0.01 1.12 -0.00 0.00 0.00 0.00 0.00 61.98 63.09 1hqy s VAL 26 Cb 0.02 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 1hqy s VAL 26 CO -0.07 0.22 -0.01 -0.03 0.00 0.00 0.00 175.10 175.21 1hqy h MET 27 N 7.10 0.00 -5.82 2.72 4.05 -1.62 -3.48 114.93 117.87 1hqy h MET 27 Ca -0.37 0.00 -0.50 0.00 -0.28 0.00 0.00 59.70 58.56 1hqy h MET 27 Cb 1.17 0.00 -0.18 0.00 -0.80 0.00 0.00 31.60 31.78 1hqy h MET 27 CO 0.76 0.00 -0.78 0.21 0.23 0.00 0.00 176.91 177.33 1hqy s LYS 28 N -1.45 1.19 -0.06 0.39 2.20 -1.24 -5.02 119.74 115.75 1hqy s LYS 28 Ca -0.01 -1.34 0.09 0.00 -0.36 0.00 0.00 55.97 54.35 1hqy s LYS 28 Cb 0.00 -1.22 0.13 0.00 -1.51 0.00 0.00 37.83 35.23 1hqy s LYS 28 CO 0.01 0.25 1.02 0.41 -0.36 0.00 0.00 175.35 176.68 1hqy n GLY 29 N 0.44 2.93 2.47 5.54 0.00 -1.24 -2.37 105.19 112.96 1hqy n GLY 29 Ca -0.14 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.81 -0.65 -4.70 1.61 2.04 0.52 -4.59 115.26 108.68 1hqy n ASN 30 Ca 0.07 -3.28 -0.40 0.00 -0.44 0.00 0.00 54.58 50.53 1hqy n ASN 30 Cb 0.51 0.58 -0.05 0.00 -2.53 0.00 0.00 39.78 38.29 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 -1.17 5.02 -0.77 3.53 1.01 -0.59 -4.98 120.40 122.45 1hqy s VAL 31 Ca 0.31 1.42 -0.26 0.00 0.00 0.00 0.00 61.98 63.45 1hqy s VAL 31 Cb 0.33 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1hqy s VAL 31 CO -0.06 0.20 1.59 -0.75 0.00 0.00 0.00 175.10 176.08 1hqy s LYS 32 N 1.15 2.99 0.00 2.72 2.20 -1.26 -4.27 119.74 123.27 1hqy s LYS 32 Ca 0.36 -0.14 0.25 0.00 -0.36 0.00 0.00 55.97 56.08 1hqy s LYS 32 Cb -0.17 -4.58 0.49 0.00 -1.51 0.00 0.00 37.83 32.06 1hqy s LYS 32 CO 0.16 -2.52 1.40 1.63 -0.36 0.00 0.00 175.35 175.65 1hqy n LYS 33 N 9.16 0.61 -4.51 4.03 5.02 -1.26 -4.88 118.16 126.33 1hqy n LYS 33 Ca 0.19 -0.41 -0.22 0.00 -2.02 0.00 0.00 58.31 55.86 1hqy n LYS 33 Cb 0.50 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.67 0.96 0.00 -0.18 1.01 -1.26 -1.50 120.40 116.77 1hqy s VAL 34 Ca 0.19 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1hqy s VAL 34 Cb 0.18 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1hqy s VAL 34 CO 0.60 0.29 0.00 -2.11 0.00 0.00 0.00 175.10 173.89 1hqy n ARG 35 N 3.26 0.00 -4.19 2.72 1.85 0.15 -4.91 116.66 115.55 1hqy n ARG 35 Ca -0.18 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.55 1hqy n ARG 35 Cb 0.54 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.85 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 1.16 1.05 -0.04 2.89 0.52 -1.26 -1.80 118.95 121.47 1hqy s ARG 36 Ca 0.00 -1.52 -0.31 0.00 -0.52 0.00 0.00 55.73 53.39 1hqy s ARG 36 Cb 0.00 0.13 0.11 0.00 0.52 0.00 0.00 34.95 35.71 1hqy s ARG 36 CO 0.00 -0.27 1.12 -0.48 0.02 0.00 0.00 175.30 175.69 1hqy s LEU 37 N -3.11 -0.17 -0.84 2.53 2.34 0.22 -4.89 118.68 114.76 1hqy s LEU 37 Ca 0.28 -0.11 -0.03 0.00 0.06 0.00 0.00 54.13 54.33 1hqy s LEU 37 Cb 0.07 1.67 -0.03 0.00 -0.56 0.00 0.00 46.19 47.34 1hqy s LEU 37 CO 0.05 -0.46 0.76 0.00 -1.06 0.00 0.00 176.35 175.64 1hqy n TYR 38 N -0.31 -2.60 -3.54 3.48 9.36 -1.26 -1.39 117.16 120.91 1hqy n TYR 38 Ca -0.05 0.95 -0.22 0.00 3.32 0.00 0.00 57.90 61.90 1hqy n TYR 38 Cb 0.61 -4.01 0.08 0.00 -0.63 0.00 0.00 39.34 35.39 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 -2.40 -5.53 -2.17 2.98 4.13 -1.26 -2.30 115.26 108.71 1hqy n ASN 39 Ca -0.03 -0.54 -0.05 0.00 1.68 0.00 0.00 54.58 55.64 1hqy n ASN 39 Cb 0.55 -4.93 -0.01 0.00 -1.54 0.00 0.00 39.78 33.86 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 -2.93 -1.95 -0.00 6.41 9.92 -1.20 -4.73 116.55 122.07 1hqy n ASP 40 Ca -0.04 0.32 -0.14 0.00 -0.53 0.00 0.00 54.79 54.39 1hqy n ASP 40 Cb 0.58 -1.83 -0.14 0.00 -0.64 0.00 0.00 41.12 39.09 1hqy n ASP 40 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1hqy h LYS 41 N 0.00 0.12 -5.05 -1.24 1.57 -1.34 -3.46 116.57 107.17 1hqy h LYS 41 Ca -0.11 -0.21 -0.64 0.00 -1.87 0.00 0.00 60.65 57.82 1hqy h LYS 41 Cb 0.91 0.08 -0.19 0.00 0.08 0.00 0.00 32.23 33.11 1hqy h LYS 41 CO 0.14 0.83 -0.58 0.08 -0.57 0.00 0.00 179.45 179.35 1hqy s VAL 42 N -2.58 4.70 0.06 0.50 1.01 -0.49 -4.61 120.40 118.99 1hqy s VAL 42 Ca -0.12 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1hqy s VAL 42 Cb 0.07 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1hqy s VAL 42 CO 0.80 0.36 0.10 0.27 0.00 0.00 0.00 175.10 176.64 1hqy s ILE 43 N 1.21 4.72 0.11 2.22 -0.00 -0.77 0.69 121.20 129.38 1hqy s ILE 43 Ca 0.05 -0.63 -0.14 0.00 -0.00 0.00 0.00 60.65 59.94 1hqy s ILE 43 Cb -0.14 -3.26 0.02 0.00 -0.00 0.00 0.00 42.46 39.08 1hqy s ILE 43 CO 0.04 0.18 0.34 0.00 -0.00 0.00 0.00 174.94 175.50 1hqy s ALA 44 N -1.37 -0.73 0.17 2.27 0.00 -0.74 -1.53 121.76 119.83 1hqy s ALA 44 Ca 0.29 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1hqy s ALA 44 Cb -0.12 0.61 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 1hqy s ALA 44 CO 0.21 -0.59 0.00 0.20 0.00 0.00 0.00 175.76 175.58 1hqy s GLY 45 N -2.77 1.22 0.29 0.00 0.00 0.79 0.33 107.32 107.17 1hqy s GLY 45 Ca 0.03 -1.59 -0.20 0.00 0.00 0.00 0.00 44.72 42.95 1hqy s GLY 45 CO -0.11 -1.53 0.76 -0.11 0.00 0.00 0.00 173.10 172.11 1hqy s PHE 46 N -3.66 -0.12 -0.20 1.90 -0.71 -0.56 0.14 117.98 114.76 1hqy s PHE 46 Ca 0.24 -0.36 -0.04 0.00 -1.04 0.00 0.00 56.93 55.73 1hqy s PHE 46 Cb 0.06 0.73 0.09 0.00 -1.21 0.00 0.00 43.02 42.69 1hqy s PHE 46 CO 0.04 -1.26 0.22 0.00 -1.34 0.00 0.00 175.22 172.88 1hqy s ALA 47 N -3.53 -0.26 0.00 1.99 0.00 -1.16 -4.87 121.76 113.92 1hqy s ALA 47 Ca 0.12 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1hqy s ALA 47 Cb -0.05 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.74 1hqy s ALA 47 CO 0.07 -1.21 0.00 0.41 0.00 0.00 0.00 175.76 175.03 1hqy n GLY 48 N 5.32 -0.75 0.00 0.00 0.00 -1.26 -2.02 105.19 106.48 1hqy n GLY 48 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1hqy n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqy n GLY 49 N 0.00 -1.64 0.00 -0.02 0.00 -1.26 -4.98 105.19 97.29 1hqy n GLY 49 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1hqy n GLY 49 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hqy n THR 50 N -0.33 0.00 -0.08 2.61 -1.04 -1.26 -4.46 114.28 109.72 1hqy n THR 50 Ca 0.00 -0.30 -0.09 0.00 -2.04 0.00 0.00 64.05 61.62 1hqy n THR 50 Cb 0.00 0.86 -0.12 0.00 -1.82 0.00 0.00 70.33 69.25 1hqy n THR 50 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hqy n ALA 51 N -0.88 1.60 0.14 2.41 0.00 -1.26 -3.75 120.51 118.78 1hqy n ALA 51 Ca 0.00 -1.02 0.07 0.00 0.00 0.00 0.00 53.44 52.48 1hqy n ALA 51 Cb 0.00 -0.07 0.55 0.00 0.00 0.00 0.00 19.45 19.93 1hqy n ALA 51 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1hqy h ASP 52 N 0.00 0.20 -0.16 0.00 3.45 -1.95 0.22 116.42 118.18 1hqy h ASP 52 Ca -0.43 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.00 1hqy h ASP 52 Cb 1.94 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 40.65 1hqy h ASP 52 CO 0.01 0.14 0.01 0.00 -1.57 0.00 0.00 179.24 177.83 1hqy h ALA 53 N 1.88 0.22 0.10 3.45 0.00 -1.78 0.18 119.26 123.31 1hqy h ALA 53 Ca 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1hqy h ALA 53 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1hqy h ALA 53 CO -0.01 -0.09 -0.08 0.74 0.00 0.00 0.00 179.25 179.81 1hqy h PHE 54 N 0.04 -0.19 -0.35 0.00 -1.00 -0.86 0.61 116.94 115.19 1hqy h PHE 54 Ca 0.05 -0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.73 1hqy h PHE 54 Cb 0.35 0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 1hqy h PHE 54 CO 0.03 -0.12 -0.19 1.15 -1.61 0.00 0.00 178.31 177.57 1hqy h THR 55 N -0.18 1.26 0.05 -1.55 2.02 -0.69 -1.62 112.91 112.21 1hqy h THR 55 Ca -0.00 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 1hqy h THR 55 Cb 0.16 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1hqy h THR 55 CO -0.00 0.41 -0.02 -0.07 0.37 0.00 0.00 175.52 176.20 1hqy h LEU 56 N 0.58 -0.06 -1.40 2.58 3.38 -0.41 -3.08 115.31 116.90 1hqy h LEU 56 Ca 0.09 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 1hqy h LEU 56 Cb 0.65 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1hqy h LEU 56 CO 0.05 0.66 -0.07 -0.26 0.09 0.00 0.00 178.44 178.91 1hqy h PHE 57 N -0.95 0.32 -0.41 1.13 0.04 0.14 -2.37 116.94 114.85 1hqy h PHE 57 Ca -0.01 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.66 1hqy h PHE 57 Cb 0.57 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1hqy h PHE 57 CO 0.14 0.39 -0.03 1.49 -0.60 0.00 0.00 178.31 179.70 1hqy h GLU 58 N 0.30 0.74 0.00 1.51 4.81 -1.42 0.51 114.58 121.04 1hqy h GLU 58 Ca 0.06 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 1hqy h GLU 58 Cb 0.32 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1hqy h GLU 58 CO 0.02 0.84 -0.19 1.25 -0.73 0.00 0.00 179.01 180.20 1hqy h LEU 59 N 0.57 0.00 -0.10 1.64 5.85 -1.42 0.17 115.31 122.02 1hqy h LEU 59 Ca 0.11 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.63 1hqy h LEU 59 Cb 0.53 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1hqy h LEU 59 CO 0.03 0.19 -0.97 0.15 -0.34 0.00 0.00 178.44 177.50 1hqy h PHE 60 N 0.00 0.07 -0.59 1.25 3.57 -0.82 -1.91 116.94 118.51 1hqy h PHE 60 Ca -0.00 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1hqy h PHE 60 Cb 0.45 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1hqy h PHE 60 CO 0.00 0.98 0.34 0.93 -2.23 0.00 0.00 178.31 178.33 1hqy h GLU 61 N 0.01 0.81 0.40 1.11 4.39 0.20 -2.92 114.58 118.59 1hqy h GLU 61 Ca -0.02 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1hqy h GLU 61 Cb 1.69 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 1hqy h GLU 61 CO 0.13 0.61 -0.19 0.00 -1.16 0.00 0.00 179.01 178.39 1hqy h ARG 62 N 0.80 -0.52 -0.90 2.33 3.08 -1.29 -3.31 114.38 114.57 1hqy h ARG 62 Ca 0.21 0.04 0.33 0.00 0.07 0.00 0.00 59.98 60.63 1hqy h ARG 62 Cb 0.02 0.12 -0.16 0.00 0.08 0.00 0.00 29.97 30.02 1hqy h ARG 62 CO -0.04 -0.35 0.32 1.63 -1.07 0.00 0.00 179.97 180.47 1hqy n LYS 63 N -4.33 -0.06 0.34 0.04 4.76 -0.72 -0.11 118.16 118.07 1hqy n LYS 63 Ca -0.07 1.28 -0.18 0.00 -2.87 0.00 0.00 58.31 56.47 1hqy n LYS 63 Cb 0.21 -2.20 -0.09 0.00 -1.84 0.00 0.00 35.03 31.12 1hqy n LYS 63 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1hqy h LEU 64 N 0.00 -1.14 -0.02 -0.35 3.38 -1.60 -0.62 115.31 114.96 1hqy h LEU 64 Ca 0.69 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.73 1hqy h LEU 64 Cb 1.70 0.35 0.00 0.00 0.09 0.00 0.00 40.66 42.81 1hqy h LEU 64 CO -0.75 -0.65 0.00 -1.84 0.09 0.00 0.00 178.44 175.30 1hqy n GLU 65 N -5.55 0.01 0.00 1.13 0.28 0.20 -0.53 120.64 116.18 1hqy n GLU 65 Ca -0.13 0.16 0.14 0.00 -0.16 0.00 0.00 57.16 57.17 1hqy n GLU 65 Cb 0.44 -1.52 0.49 0.00 1.43 0.00 0.00 31.44 32.28 1hqy n GLU 65 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1hqy n MET 66 N -1.53 1.42 -2.84 3.44 1.56 0.84 -4.12 117.12 115.89 1hqy n MET 66 Ca 0.05 -0.82 -0.11 0.00 -0.27 0.00 0.00 57.70 56.55 1hqy n MET 66 Cb 0.24 -1.48 0.06 0.00 2.15 0.00 0.00 33.22 34.19 1hqy n MET 66 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1hqy n HIS 67 N -0.07 -1.98 -2.05 1.12 8.25 -0.31 -4.99 115.22 115.19 1hqy n HIS 67 Ca 0.17 -2.55 -0.05 0.00 -0.26 0.00 0.00 57.72 55.02 1hqy n HIS 67 Cb 0.35 1.07 0.00 0.00 1.12 0.00 0.00 29.99 32.53 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 0.26 -0.29 0.00 -0.41 6.02 -0.87 -2.06 117.38 120.02 1hqy n GLN 68 Ca 0.10 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1hqy n GLN 68 Cb 0.70 -0.35 0.00 0.00 1.02 0.00 0.00 30.24 31.61 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 -0.35 0.00 3.57 1.08 0.00 0.32 -4.76 105.19 105.04 1hqy n GLY 69 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 1.60 0.26 1.61 5.04 -0.88 -4.75 115.29 118.17 1hqy s HIS 70 Ca 0.00 1.13 0.07 0.00 -1.54 0.00 0.00 55.06 54.71 1hqy s HIS 70 Cb 0.00 -3.81 0.75 0.00 0.04 0.00 0.00 32.58 29.56 1hqy s HIS 70 CO 0.00 -1.50 1.21 -0.11 -2.34 0.00 0.00 174.74 172.00 1hqy n LEU 71 N 15.85 0.04 -0.19 8.88 -0.00 -1.26 -0.00 117.00 140.31 1hqy n LEU 71 Ca 0.43 1.30 -0.09 0.00 -0.00 0.00 0.00 56.01 57.66 1hqy n LEU 71 Cb 0.46 -0.53 0.02 0.00 -0.00 0.00 0.00 43.42 43.36 1hqy n LEU 71 CO 0.60 -1.37 0.90 0.58 -0.00 0.00 0.00 177.39 178.10 1hqy h VAL 72 N 0.00 1.24 -0.04 1.96 2.07 -1.94 -1.92 116.25 117.62 1hqy h VAL 72 Ca 0.54 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1hqy h VAL 72 Cb 1.24 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1hqy h VAL 72 CO -0.68 0.32 -0.11 0.50 0.02 0.00 0.00 177.57 177.61 1hqy h LYS 73 N 0.76 0.15 -0.93 1.57 3.11 -0.79 0.52 116.57 120.96 1hqy h LYS 73 Ca 0.17 -0.11 0.15 0.00 -2.81 0.00 0.00 60.65 58.05 1hqy h LYS 73 Cb 0.33 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 31.50 1hqy h LYS 73 CO 0.00 0.72 0.59 0.00 -2.81 0.00 0.00 179.45 177.96 1hqy h ALA 74 N 0.42 1.77 0.43 5.00 0.00 -1.33 0.25 119.26 125.81 1hqy h ALA 74 Ca -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1hqy h ALA 74 Cb 0.73 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1hqy h ALA 74 CO 0.02 -0.04 -0.21 0.00 0.00 0.00 0.00 179.25 179.03 1hqy h ALA 75 N 1.59 -0.58 -0.47 0.00 0.00 -1.25 -0.80 119.26 117.74 1hqy h ALA 75 Ca 0.48 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.37 1hqy h ALA 75 Cb 0.73 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1hqy h ALA 75 CO -0.24 -0.56 0.41 -0.24 0.00 0.00 0.00 179.25 178.63 1hqy h VAL 76 N -1.12 0.52 -0.00 0.00 3.04 -0.49 0.13 116.25 118.33 1hqy h VAL 76 Ca -0.06 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.52 1hqy h VAL 76 Cb 0.49 0.69 0.01 0.00 -2.01 0.00 0.00 31.29 30.47 1hqy h VAL 76 CO 0.10 0.00 -0.43 -0.08 -1.01 0.00 0.00 177.57 176.15 1hqy h GLU 77 N 0.00 0.29 0.21 4.17 4.22 -0.45 -3.30 114.58 119.72 1hqy h GLU 77 Ca 0.22 -0.31 0.01 0.00 0.08 0.00 0.00 59.36 59.36 1hqy h GLU 77 Cb 1.05 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 1hqy h GLU 77 CO -0.00 1.01 -0.38 1.25 -2.18 0.00 0.00 179.01 178.71 1hqy h LEU 78 N -0.30 -1.09 -1.68 1.64 5.85 0.75 -1.48 115.31 119.00 1hqy h LEU 78 Ca -0.05 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1hqy h LEU 78 Cb 1.16 0.39 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 1hqy h LEU 78 CO 0.08 -0.48 0.47 0.00 -0.34 0.00 0.00 178.44 178.17 1hqy h ALA 79 N -0.17 1.59 0.12 1.25 0.00 -1.46 -1.97 119.26 118.62 1hqy h ALA 79 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1hqy h ALA 79 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1hqy h ALA 79 CO -0.17 -0.52 -0.06 -0.22 0.00 0.00 0.00 179.25 178.29 1hqy h LYS 80 N 0.00 -0.15 -0.58 0.00 3.11 -1.34 -2.80 116.57 114.81 1hqy h LYS 80 Ca 0.04 0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.90 1hqy h LYS 80 Cb 0.98 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 32.22 1hqy h LYS 80 CO -0.00 0.32 0.38 -0.44 -2.81 0.00 0.00 179.45 176.89 1hqy h ASP 81 N -0.74 0.65 -0.73 4.20 3.32 -1.39 -1.16 116.42 120.57 1hqy h ASP 81 Ca -0.02 -0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.18 1hqy h ASP 81 Cb 0.54 -0.16 -0.11 0.00 0.22 0.00 0.00 39.33 39.82 1hqy h ASP 81 CO 0.03 0.47 0.16 -0.25 -1.72 0.00 0.00 179.24 177.93 1hqy h TRP 82 N 0.77 0.25 -0.00 4.55 2.91 -1.49 1.21 115.95 124.14 1hqy h TRP 82 Ca 0.21 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.28 1hqy h TRP 82 Cb -0.08 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.57 1hqy h TRP 82 CO -0.04 -0.09 -0.48 -2.13 -1.03 0.00 0.00 178.44 174.67 1hqy n ARG 83 N -5.17 0.10 -0.05 2.65 0.63 -1.06 -3.42 116.66 110.35 1hqy n ARG 83 Ca 0.14 -0.06 -0.04 0.00 -0.92 0.00 0.00 57.85 56.97 1hqy n ARG 83 Cb 0.45 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.78 1hqy n ARG 83 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1hqy n THR 84 N -1.40 0.61 -3.02 5.15 -1.04 -0.31 -4.96 114.28 109.32 1hqy n THR 84 Ca 0.06 -0.42 -0.43 0.00 -2.04 0.00 0.00 64.05 61.23 1hqy n THR 84 Cb 0.34 -0.57 -0.06 0.00 -1.82 0.00 0.00 70.33 68.22 1hqy n THR 84 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1hqy s ASP 85 N -4.15 6.42 0.18 8.00 -1.08 0.40 -4.95 116.67 121.49 1hqy s ASP 85 Ca -0.05 -0.04 -0.16 0.00 -0.52 0.00 0.00 52.55 51.79 1hqy s ASP 85 Cb 0.04 -2.36 0.16 0.00 -1.46 0.00 0.00 42.92 39.30 1hqy s ASP 85 CO 0.44 -0.81 1.26 0.54 0.52 0.00 0.00 175.17 177.13 1hqy n ARG 86 N 6.47 -0.21 0.00 4.34 1.74 -1.26 0.18 116.66 127.91 1hqy n ARG 86 Ca 0.01 1.25 0.00 0.00 -0.77 0.00 0.00 57.85 58.34 1hqy n ARG 86 Cb 0.48 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1hqy n ARG 86 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1hqy n MET 87 N -5.18 0.00 -0.33 5.56 2.81 -1.26 -2.66 117.12 116.06 1hqy n MET 87 Ca 0.07 0.43 0.25 0.00 -1.81 0.00 0.00 57.70 56.65 1hqy n MET 87 Cb 0.31 -1.28 0.49 0.00 -0.71 0.00 0.00 33.22 32.03 1hqy n MET 87 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1hqy h LEU 88 N 0.00 0.49 -0.26 4.03 3.38 -1.41 -0.91 115.31 120.62 1hqy h LEU 88 Ca 0.00 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1hqy h LEU 88 Cb 0.00 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1hqy h LEU 88 CO 0.00 -0.17 0.11 -1.14 0.09 0.00 0.00 178.44 177.33 1hqy n ARG 89 N -5.08 0.03 0.05 1.13 0.63 0.47 -2.00 116.66 111.88 1hqy n ARG 89 Ca 0.32 0.45 -0.03 0.00 -0.92 0.00 0.00 57.85 57.67 1hqy n ARG 89 Cb 1.02 -1.70 -0.09 0.00 0.45 0.00 0.00 32.46 32.15 1hqy n ARG 89 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1hqy h LYS 90 N 0.00 0.00 -5.80 -0.14 1.79 -1.18 -3.46 116.57 107.79 1hqy h LYS 90 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 1hqy h LYS 90 Cb 0.22 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.80 1hqy h LYS 90 CO 0.00 0.56 -0.10 -0.48 -1.08 0.00 0.00 179.45 178.35 1hqy s LEU 91 N -6.22 4.29 0.16 2.94 0.05 -0.85 -5.08 118.68 113.97 1hqy s LEU 91 Ca -0.01 0.89 0.06 0.00 0.05 0.00 0.00 54.13 55.11 1hqy s LEU 91 Cb 0.09 -2.76 -0.04 0.00 -2.05 0.00 0.00 46.19 41.43 1hqy s LEU 91 CO 0.80 -0.01 0.08 -1.83 -0.55 0.00 0.00 176.35 174.85 1hqy s GLU 92 N 0.58 2.73 0.00 1.48 -1.05 -1.26 -4.95 118.70 116.23 1hqy s GLU 92 Ca 0.28 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 54.17 1hqy s GLU 92 Cb -0.16 -2.56 0.00 0.00 -0.44 0.00 0.00 34.13 30.98 1hqy s GLU 92 CO 0.12 0.48 0.00 0.00 0.95 0.00 0.00 175.26 176.81 1hqy n ALA 93 N -0.19 0.00 -3.48 -0.84 0.00 -1.26 -4.48 120.51 110.25 1hqy n ALA 93 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 1hqy n ALA 93 Cb 0.55 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.87 1hqy n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1hqy s LEU 94 N 0.00 0.92 -0.05 0.00 1.43 -0.86 -4.34 118.68 115.78 1hqy s LEU 94 Ca 0.00 -2.01 -0.30 0.00 -1.03 0.00 0.00 54.13 50.79 1hqy s LEU 94 Cb 0.00 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 1hqy s LEU 94 CO 0.00 -0.34 1.06 -0.76 0.23 0.00 0.00 176.35 176.54 1hqy s LEU 95 N 1.27 4.29 -0.31 1.79 1.02 -1.22 -3.00 118.68 122.53 1hqy s LEU 95 Ca 0.16 1.66 -0.02 0.00 0.02 0.00 0.00 54.13 55.95 1hqy s LEU 95 Cb -0.22 -3.56 0.05 0.00 0.02 0.00 0.00 46.19 42.48 1hqy s LEU 95 CO -0.07 -0.43 0.02 0.00 0.02 0.00 0.00 176.35 175.89 1hqy s ALA 96 N 1.72 2.86 0.07 4.21 0.00 0.12 -1.25 121.76 129.50 1hqy s ALA 96 Ca 0.52 -1.81 0.08 0.00 0.00 0.00 0.00 51.96 50.75 1hqy s ALA 96 Cb -0.21 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1hqy s ALA 96 CO 0.22 -1.31 -0.20 0.08 0.00 0.00 0.00 175.76 174.55 1hqy s VAL 97 N 1.26 2.68 0.29 0.00 1.01 -0.01 -0.15 120.40 125.48 1hqy s VAL 97 Ca -0.04 -1.35 -0.20 0.00 0.00 0.00 0.00 61.98 60.39 1hqy s VAL 97 Cb -0.20 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.05 1hqy s VAL 97 CO -0.01 0.25 0.73 0.00 0.00 0.00 0.00 175.10 176.08 1hqy s ALA 98 N -0.98 -1.16 0.00 5.51 0.00 -0.58 0.27 121.76 124.81 1hqy s ALA 98 Ca 0.15 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1hqy s ALA 98 Cb -0.10 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1hqy s ALA 98 CO 0.06 -1.03 0.00 -0.40 0.00 0.00 0.00 175.76 174.39 1hqy n ASP 99 N -0.60 0.00 -0.27 0.00 5.68 -0.99 -1.85 116.55 118.52 1hqy n ASP 99 Ca -0.05 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.32 1hqy n ASP 99 Cb 0.59 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.78 1hqy n ASP 99 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1hqy h GLU 100 N 0.00 0.20 0.48 0.11 4.81 -1.94 -2.98 114.58 115.26 1hqy h GLU 100 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1hqy h GLU 100 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1hqy h GLU 100 CO 0.00 0.14 -0.23 1.79 -0.73 0.00 0.00 179.01 179.98 1hqy h THR 101 N 0.21 0.40 -2.49 0.32 1.35 -1.97 -3.49 112.91 107.24 1hqy h THR 101 Ca 0.46 -0.45 0.11 0.00 -0.55 0.00 0.00 66.41 65.97 1hqy h THR 101 Cb 0.83 0.56 -0.11 0.00 -1.73 0.00 0.00 68.15 67.70 1hqy h THR 101 CO -0.59 0.06 0.42 0.00 -0.25 0.00 0.00 175.52 175.16 1hqy s ALA 102 N -4.90 -1.66 0.26 6.62 0.00 -1.13 -5.11 121.76 115.83 1hqy s ALA 102 Ca -0.14 0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.38 1hqy s ALA 102 Cb 0.02 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1hqy s ALA 102 CO 0.49 -0.86 0.09 -1.12 0.00 0.00 0.00 175.76 174.36 1hqy s SER 103 N -2.73 5.01 -0.15 0.00 0.01 -1.26 -2.36 113.70 112.22 1hqy s SER 103 Ca 0.08 -0.46 -0.34 0.00 1.31 0.00 0.00 55.95 56.53 1hqy s SER 103 Cb -0.02 -1.11 0.14 0.00 0.21 0.00 0.00 66.02 65.25 1hqy s SER 103 CO -0.04 -0.02 1.35 -1.48 0.41 0.00 0.00 173.24 173.46 1hqy s LEU 104 N -3.76 -0.04 -0.05 2.44 0.05 0.14 -4.72 118.68 112.75 1hqy s LEU 104 Ca 0.32 -0.03 0.06 0.00 0.05 0.00 0.00 54.13 54.53 1hqy s LEU 104 Cb -0.07 1.17 -0.01 0.00 -2.05 0.00 0.00 46.19 45.22 1hqy s LEU 104 CO 0.22 -0.12 -0.23 -0.63 -0.55 0.00 0.00 176.35 175.05 1hqy s ILE 105 N -2.18 1.89 0.22 1.48 -1.09 -0.44 -0.83 121.20 120.24 1hqy s ILE 105 Ca 0.13 -0.98 0.10 0.00 -2.23 0.00 0.00 60.65 57.66 1hqy s ILE 105 Cb 0.03 -1.59 -0.04 0.00 -1.58 0.00 0.00 42.46 39.27 1hqy s ILE 105 CO -0.04 0.53 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.45 1hqy s ILE 106 N -0.21 2.98 0.33 2.92 1.09 -0.38 -2.14 121.20 125.79 1hqy s ILE 106 Ca -0.01 -1.92 0.01 0.00 -1.10 0.00 0.00 60.65 57.63 1hqy s ILE 106 Cb -0.12 -2.52 -0.01 0.00 -1.06 0.00 0.00 42.46 38.75 1hqy s ILE 106 CO 0.02 -0.23 0.37 0.42 -0.10 0.00 0.00 174.94 175.43 1hqy s THR 107 N -2.00 0.00 0.34 2.92 -4.23 -1.18 -3.39 115.64 108.10 1hqy s THR 107 Ca 0.27 -1.78 0.04 0.00 -1.18 0.00 0.00 61.69 59.03 1hqy s THR 107 Cb -0.07 -2.57 0.18 0.00 1.34 0.00 0.00 72.50 71.38 1hqy s THR 107 CO 0.15 0.00 1.90 1.23 -0.54 0.00 0.00 174.62 177.36 1hqy h GLY 108 N 2.16 0.65 2.00 3.99 0.00 -1.93 -2.18 103.07 107.76 1hqy h GLY 108 Ca -0.27 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1hqy h GLY 108 CO 0.39 0.33 0.00 0.70 0.00 0.00 0.00 176.54 177.96 1hqy n ASN 109 N -4.32 0.05 0.00 0.19 4.13 -1.26 -3.90 115.26 110.16 1hqy n ASN 109 Ca 0.02 0.52 0.00 0.00 1.68 0.00 0.00 54.58 56.80 1hqy n ASN 109 Cb 0.20 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 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 -0.70 0.63 3.78 7.41 0.00 -0.82 -4.84 105.19 110.64 1hqy n GLY 110 Ca 0.02 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 1hqy n GLY 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hqy s ASP 111 N -2.25 6.44 -0.46 1.61 1.11 -1.26 -4.69 116.67 117.17 1hqy s ASP 111 Ca 0.00 2.07 0.08 0.00 0.18 0.00 0.00 52.55 54.88 1hqy s ASP 111 Cb 0.00 -2.58 0.39 0.00 1.07 0.00 0.00 42.92 41.80 1hqy s ASP 111 CO 0.00 -0.72 0.96 0.52 1.18 0.00 0.00 175.17 177.11 1hqy n VAL 112 N -0.52 1.94 -1.67 -1.27 0.31 -1.26 -3.08 118.33 112.79 1hqy n VAL 112 Ca 0.07 -4.80 -0.46 0.00 -0.01 0.00 0.00 64.34 59.14 1hqy n VAL 112 Cb 0.50 -0.82 -0.04 0.00 -0.91 0.00 0.00 33.84 32.57 1hqy n VAL 112 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1hqy n VAL 113 N -0.20 0.05 -3.55 2.52 0.31 -0.91 -4.76 118.33 111.80 1hqy n VAL 113 Ca 0.29 -0.01 -0.41 0.00 -0.01 0.00 0.00 64.34 64.20 1hqy n VAL 113 Cb 0.59 -1.59 -0.09 0.00 -0.91 0.00 0.00 33.84 31.85 1hqy n VAL 113 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1hqy s GLN 114 N 1.20 2.57 0.36 5.55 0.74 -1.26 -1.33 119.66 127.49 1hqy s GLN 114 Ca 0.80 -1.64 -0.25 0.00 0.05 0.00 0.00 55.36 54.32 1hqy s GLN 114 Cb -0.67 -3.90 -0.13 0.00 1.10 0.00 0.00 33.01 29.41 1hqy s GLN 114 CO 0.39 -1.11 0.88 -0.35 -0.55 0.00 0.00 175.29 174.55 1hqy n PRO 115 N 4.94 1.10 -0.31 1.67 -0.04 -1.26 -4.88 135.00 136.22 1hqy n PRO 115 Ca -0.09 0.39 -0.08 0.00 -0.04 0.00 0.00 63.50 63.68 1hqy n PRO 115 Cb 0.42 -1.79 -0.07 0.00 -0.04 0.00 0.00 33.50 32.01 1hqy n PRO 115 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1hqy n GLU 116 N 0.50 -0.32 -1.68 0.54 4.07 -1.26 -1.73 120.64 120.76 1hqy n GLU 116 Ca 0.10 1.22 -0.25 0.00 -0.06 0.00 0.00 57.16 58.18 1hqy n GLU 116 Cb 0.36 -1.79 0.06 0.00 -0.06 0.00 0.00 31.44 30.00 1hqy n GLU 116 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1hqy n ASN 117 N -4.78 5.39 -1.40 4.31 3.02 -1.26 -4.85 115.26 115.68 1hqy n ASN 117 Ca 0.01 -3.77 -0.17 0.00 -0.03 0.00 0.00 54.58 50.63 1hqy n ASN 117 Cb 0.19 -0.55 -0.07 0.00 -0.61 0.00 0.00 39.78 38.74 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 -0.82 -4.82 -4.71 6.41 9.92 -0.71 -4.65 116.55 117.18 1hqy n ASP 118 Ca 0.48 0.41 -0.37 0.00 -0.53 0.00 0.00 54.79 54.78 1hqy n ASP 118 Cb 0.89 -4.19 -0.07 0.00 -0.64 0.00 0.00 41.12 37.10 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 -4.05 4.21 0.03 0.64 2.96 -1.26 -4.24 118.68 116.98 1hqy s LEU 119 Ca 0.00 0.53 0.07 0.00 -0.22 0.00 0.00 54.13 54.51 1hqy s LEU 119 Cb 0.00 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 1hqy s LEU 119 CO 0.00 0.03 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.21 1hqy s ILE 120 N 0.77 1.74 -0.46 6.68 1.01 -0.79 -4.53 121.20 125.63 1hqy s ILE 120 Ca 0.18 -1.17 0.06 0.00 0.00 0.00 0.00 60.65 59.72 1hqy s ILE 120 Cb -0.14 -1.50 0.18 0.00 0.01 0.00 0.00 42.46 41.01 1hqy s ILE 120 CO 0.06 0.28 0.56 0.00 0.00 0.00 0.00 174.94 175.84 1hqy s ALA 121 N -0.74 -0.95 0.17 9.38 0.00 -1.25 -1.70 121.76 126.67 1hqy s ALA 121 Ca 0.08 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.10 1hqy s ALA 121 Cb -0.09 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 1hqy s ALA 121 CO 0.01 -2.15 0.25 0.96 0.00 0.00 0.00 175.76 174.83 1hqy s ILE 122 N 0.85 5.05 0.00 0.00 -4.36 -0.63 -4.24 121.20 117.87 1hqy s ILE 122 Ca 0.27 -0.86 0.00 0.00 -0.26 0.00 0.00 60.65 59.80 1hqy s ILE 122 Cb -0.02 -3.61 0.00 0.00 1.25 0.00 0.00 42.46 40.08 1hqy s ILE 122 CO -0.09 -0.13 0.00 0.61 0.24 0.00 0.00 174.94 175.57 1hqy n GLY 123 N -0.61 2.29 0.48 6.27 0.00 -1.26 -0.84 105.19 111.51 1hqy n GLY 123 Ca -0.08 -1.90 0.27 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 -0.02 1.61 4.64 -1.88 1.40 113.55 119.31 1hqy h SER 124 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hqy h SER 124 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1hqy h SER 124 CO 0.00 0.00 -0.40 0.61 -0.87 0.00 0.00 176.83 176.17 1hqy n GLY 125 N -1.63 0.16 0.40 -0.77 0.00 -1.00 -4.63 105.19 97.73 1hqy n GLY 125 Ca 0.17 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 4.68 -0.49 1.98 -0.02 0.00 0.18 -1.00 103.07 108.40 1hqy h GLY 126 Ca 0.00 0.61 -0.00 0.00 0.00 0.00 0.00 47.33 47.94 1hqy h GLY 126 CO 0.00 -0.13 -0.01 -2.55 0.00 0.00 0.00 176.54 173.85 1hqy h PRO 127 N -0.17 0.02 0.03 4.80 0.11 -1.75 0.20 132.00 135.25 1hqy h PRO 127 Ca 0.19 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.06 1hqy h PRO 127 Cb 0.54 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.66 1hqy h PRO 127 CO -0.77 0.04 -1.02 1.88 -0.21 0.00 0.00 178.00 177.91 1hqy h TYR 128 N 0.02 0.65 -0.33 0.65 0.05 -1.65 -1.80 116.97 114.57 1hqy h TYR 128 Ca 0.01 -0.38 -0.07 0.00 0.05 0.00 0.00 58.73 58.34 1hqy h TYR 128 Cb 0.04 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1hqy h TYR 128 CO 0.00 1.21 -0.10 0.00 -1.05 0.00 0.00 178.16 178.22 1hqy h ALA 129 N 0.66 1.22 -0.14 3.88 0.00 -0.40 -2.23 119.26 122.24 1hqy h ALA 129 Ca -0.10 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1hqy h ALA 129 Cb 1.67 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1hqy h ALA 129 CO 0.18 0.51 -0.11 0.37 0.00 0.00 0.00 179.25 180.19 1hqy h GLN 130 N 0.51 0.33 -0.13 0.00 4.15 -0.85 0.36 115.11 119.49 1hqy h GLN 130 Ca 0.10 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1hqy h GLN 130 Cb 0.48 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 1hqy h GLN 130 CO 0.03 0.70 0.02 0.00 -1.93 0.00 0.00 178.83 177.64 1hqy h ALA 131 N 0.63 1.80 0.09 3.38 0.00 -1.14 0.96 119.26 124.98 1hqy h ALA 131 Ca 0.03 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 1hqy h ALA 131 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1hqy h ALA 131 CO 0.03 0.16 -1.50 0.00 0.00 0.00 0.00 179.25 177.94 1hqy h ALA 132 N 1.85 0.33 -0.32 0.00 0.00 -1.33 -2.86 119.26 116.93 1hqy h ALA 132 Ca 0.04 -1.13 -0.16 0.00 0.00 0.00 0.00 54.91 53.66 1hqy h ALA 132 Cb 0.10 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1hqy h ALA 132 CO -0.00 1.20 -0.45 0.00 0.00 0.00 0.00 179.25 180.00 1hqy h ALA 133 N 0.59 0.61 0.20 0.00 0.00 -0.42 -2.85 119.26 117.39 1hqy h ALA 133 Ca -0.23 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1hqy h ALA 133 Cb 1.99 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1hqy h ALA 133 CO 0.15 0.68 -0.10 -0.09 0.00 0.00 0.00 179.25 179.89 1hqy h ARG 134 N 0.66 -0.26 -1.05 0.00 9.65 -0.94 0.48 114.38 122.92 1hqy h ARG 134 Ca 0.04 0.02 0.32 0.00 -1.10 0.00 0.00 59.98 59.26 1hqy h ARG 134 Cb 1.03 0.06 -0.13 0.00 -1.39 0.00 0.00 29.97 29.53 1hqy h ARG 134 CO 0.10 0.12 0.63 0.00 2.80 0.00 0.00 179.97 183.62 1hqy h ALA 135 N -0.06 2.09 0.00 2.80 0.00 -1.54 -1.03 119.26 121.52 1hqy h ALA 135 Ca -0.03 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1hqy h ALA 135 Cb 0.49 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1hqy h ALA 135 CO 0.04 -0.65 -0.05 -0.07 0.00 0.00 0.00 179.25 178.52 1hqy h LEU 136 N 0.34 0.00 -1.83 0.00 4.07 -1.41 -2.76 115.31 113.71 1hqy h LEU 136 Ca 0.71 -0.93 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1hqy h LEU 136 Cb 1.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.46 1hqy h LEU 136 CO -0.51 0.99 0.11 0.25 -1.08 0.00 0.00 178.44 178.20 1hqy h LEU 137 N -1.00 0.00 0.00 1.67 5.85 -0.10 -0.78 115.31 120.95 1hqy h LEU 137 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1hqy h LEU 137 Cb 0.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1hqy h LEU 137 CO -0.01 0.00 -1.06 -0.62 -0.34 0.00 0.00 178.44 176.41 1hqy n GLU 138 N -2.53 1.65 -0.04 1.25 1.02 -0.47 -4.71 120.64 116.82 1hqy n GLU 138 Ca -0.02 -0.05 0.02 0.00 -0.02 0.00 0.00 57.16 57.08 1hqy n GLU 138 Cb 0.15 -1.11 0.02 0.00 -0.02 0.00 0.00 31.44 30.48 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 -1.60 1.57 -3.95 1.62 3.02 -0.87 -5.08 115.26 109.97 1hqy n ASN 139 Ca -0.00 -2.00 -0.09 0.00 -0.03 0.00 0.00 54.58 52.46 1hqy n ASN 139 Cb 0.21 -0.09 -0.05 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.08 0.01 -1.71 3.41 -4.23 -0.35 -4.99 115.64 106.69 1hqy s THR 140 Ca 0.06 -1.30 0.20 0.00 -1.18 0.00 0.00 61.69 59.46 1hqy s THR 140 Cb 0.05 -2.08 0.59 0.00 1.34 0.00 0.00 72.50 72.40 1hqy s THR 140 CO 0.01 -0.05 1.49 -0.62 -0.54 0.00 0.00 174.62 174.91 1hqy n GLU 141 N -0.36 2.82 -1.24 3.99 -0.58 -1.26 -4.74 120.64 119.26 1hqy n GLU 141 Ca -0.03 -2.57 -0.35 0.00 -0.42 0.00 0.00 57.16 53.79 1hqy n GLU 141 Cb 0.62 -1.53 0.09 0.00 -0.57 0.00 0.00 31.44 30.04 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 1.40 2.16 -4.89 -4.62 4.77 -1.26 -4.97 117.00 109.58 1hqy n LEU 142 Ca 0.22 0.60 -0.29 0.00 -0.03 0.00 0.00 56.01 56.51 1hqy n LEU 142 Cb 0.60 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1hqy n LEU 142 CO 0.15 -2.59 0.54 -0.94 -1.33 0.00 0.00 177.39 173.23 1hqy s SER 143 N -1.66 6.26 0.34 -1.43 1.04 -1.26 -4.87 113.70 112.12 1hqy s SER 143 Ca 0.69 1.11 0.13 0.00 0.48 0.00 0.00 55.95 58.36 1hqy s SER 143 Cb -0.33 -2.33 1.08 0.00 0.10 0.00 0.00 66.02 64.54 1hqy s SER 143 CO 0.55 -0.68 1.62 0.00 0.98 0.00 0.00 173.24 175.71 1hqy h ALA 144 N 0.05 1.84 0.08 5.32 0.00 -1.91 0.67 119.26 125.30 1hqy h ALA 144 Ca -0.46 0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.44 1hqy h ALA 144 Cb 1.20 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1hqy h ALA 144 CO 0.62 -0.69 -1.17 -0.09 0.00 0.00 0.00 179.25 177.92 1hqy h ARG 145 N 0.16 0.16 0.00 0.00 2.43 -1.93 -3.04 114.38 112.17 1hqy h ARG 145 Ca 0.73 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 59.54 1hqy h ARG 145 Cb 1.74 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.38 1hqy h ARG 145 CO -0.70 1.12 -0.37 0.93 -1.51 0.00 0.00 179.97 179.43 1hqy h GLU 146 N 0.04 0.00 0.00 0.20 5.08 -1.28 -2.77 114.58 115.86 1hqy h GLU 146 Ca -0.10 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1hqy h GLU 146 Cb 1.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1hqy h GLU 146 CO 0.17 0.37 -0.11 0.82 -1.00 0.00 0.00 179.01 179.26 1hqy h ILE 147 N 0.00 1.60 0.00 3.13 2.04 -1.35 -1.87 117.51 121.06 1hqy h ILE 147 Ca -0.00 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 63.93 1hqy h ILE 147 Cb 0.76 2.85 -0.00 0.00 -0.74 0.00 0.00 36.82 39.69 1hqy h ILE 147 CO 0.05 0.51 -0.06 0.00 0.00 0.00 0.00 178.15 178.64 1hqy h ALA 148 N 0.23 1.43 0.09 1.87 0.00 -1.55 0.38 119.26 121.71 1hqy h ALA 148 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1hqy h ALA 148 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1hqy h ALA 148 CO 0.02 0.08 -0.04 0.93 0.00 0.00 0.00 179.25 180.24 1hqy h GLU 149 N 0.00 -0.12 -0.72 0.00 4.39 -1.51 -2.07 114.58 114.55 1hqy h GLU 149 Ca -0.00 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.83 1hqy h GLU 149 Cb 0.17 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 1hqy h GLU 149 CO 0.01 -0.08 0.48 0.87 -1.16 0.00 0.00 179.01 179.13 1hqy h LYS 150 N -0.50 0.49 -0.55 2.33 1.57 -1.25 0.24 116.57 118.88 1hqy h LYS 150 Ca -0.01 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1hqy h LYS 150 Cb 0.09 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1hqy h LYS 150 CO 0.02 0.32 -0.09 0.00 -0.57 0.00 0.00 179.45 179.14 1hqy h ALA 151 N 1.65 0.80 -0.08 3.86 0.00 -0.35 -1.73 119.26 123.41 1hqy h ALA 151 Ca 0.34 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1hqy h ALA 151 Cb 0.65 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1hqy h ALA 151 CO -0.11 0.67 -0.66 1.25 0.00 0.00 0.00 179.25 180.40 1hqy h LEU 152 N 0.92 0.36 -0.41 0.00 6.46 -0.13 -2.20 115.31 120.31 1hqy h LEU 152 Ca 0.15 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.63 1hqy h LEU 152 Cb 0.65 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 1hqy h LEU 152 CO 0.04 0.92 0.02 0.44 -0.62 0.00 0.00 178.44 179.24 1hqy h ASP 153 N 0.22 0.69 -0.55 1.25 3.45 -0.48 -2.22 116.42 118.78 1hqy h ASP 153 Ca -0.02 -0.29 -0.06 0.00 0.43 0.00 0.00 57.03 57.09 1hqy h ASP 153 Cb 1.20 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 39.76 1hqy h ASP 153 CO 0.11 0.82 0.15 0.40 -1.57 0.00 0.00 179.24 179.14 1hqy h ILE 154 N 0.55 1.24 0.57 0.35 2.04 -1.23 -2.09 117.51 118.93 1hqy h ILE 154 Ca 0.12 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 1hqy h ILE 154 Cb 0.45 0.62 0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1hqy h ILE 154 CO 0.02 0.32 -0.27 0.00 0.00 0.00 0.00 178.15 178.22 1hqy h ALA 155 N 1.28 -1.05 -0.15 1.87 0.00 -1.24 -2.63 119.26 117.34 1hqy h ALA 155 Ca 0.19 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1hqy h ALA 155 Cb 0.31 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1hqy h ALA 155 CO -0.00 -0.99 0.53 0.78 0.00 0.00 0.00 179.25 179.57 1hqy h GLY 156 N -0.87 0.00 1.34 0.00 0.00 -1.38 0.54 103.07 102.71 1hqy h GLY 156 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.01 1hqy h GLY 156 CO 0.13 0.00 -0.93 -0.55 0.00 0.00 0.00 176.54 175.19 1hqy h ASP 157 N 0.00 0.76 0.08 0.19 3.45 -1.05 -3.36 116.42 116.49 1hqy h ASP 157 Ca 0.07 -0.58 -0.37 0.00 0.43 0.00 0.00 57.03 56.58 1hqy h ASP 157 Cb 1.13 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 39.63 1hqy h ASP 157 CO -0.00 1.37 -2.11 -0.38 -1.57 0.00 0.00 179.24 176.55 1hqy n ILE 158 N -3.84 1.68 -2.57 0.35 -0.00 0.92 -4.94 119.36 110.95 1hqy n ILE 158 Ca -0.08 -0.58 -0.42 0.00 -0.00 0.00 0.00 62.75 61.66 1hqy n ILE 158 Cb 0.82 -1.67 -0.03 0.00 -0.00 0.00 0.00 39.64 38.77 1hqy n ILE 158 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1hqy h ILE 160 N 4.88 0.03 -0.55 0.00 1.08 -1.88 -3.02 117.51 118.06 1hqy h ILE 160 Ca -0.37 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.46 1hqy h ILE 160 Cb 1.18 1.62 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 1hqy h ILE 160 CO 0.83 0.01 0.00 -1.22 -0.69 0.00 0.00 178.15 177.08 1hqy n TYR 161 N -3.11 0.82 -4.59 1.37 4.01 -1.26 -4.94 117.16 109.46 1hqy n TYR 161 Ca 0.01 -0.53 -0.22 0.00 -0.16 0.00 0.00 57.90 57.01 1hqy n TYR 161 Cb 0.35 -0.05 -0.15 0.00 -0.31 0.00 0.00 39.34 39.18 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 -1.17 1.04 0.00 -0.72 2.01 -1.14 -1.37 115.64 114.29 1hqy s THR 162 Ca 0.39 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1hqy s THR 162 Cb 0.21 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.85 1hqy s THR 162 CO 0.24 0.30 0.00 -0.46 -0.69 0.00 0.00 174.62 174.01 1hqy n ASN 163 N 2.86 1.39 -1.03 3.53 0.23 -1.26 -4.50 115.26 116.48 1hqy n ASN 163 Ca -0.15 -0.65 0.08 0.00 -0.53 0.00 0.00 54.58 53.33 1hqy n ASN 163 Cb 0.55 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.53 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 -0.20 1.08 -3.17 -2.53 8.25 -1.26 -4.46 115.22 112.92 1hqy n HIS 164 Ca 0.00 -0.82 -0.39 0.00 -0.26 0.00 0.00 57.72 56.25 1hqy n HIS 164 Cb 0.00 -0.32 -0.05 0.00 1.12 0.00 0.00 29.99 30.74 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 -2.64 3.56 0.33 4.41 5.36 -1.26 -5.01 117.98 122.73 1hqy s PHE 165 Ca 0.43 1.10 0.10 0.00 -0.96 0.00 0.00 56.93 57.59 1hqy s PHE 165 Cb 0.33 -2.68 -0.06 0.00 -0.34 0.00 0.00 43.02 40.28 1hqy s PHE 165 CO 0.11 0.15 -0.11 -1.01 -1.46 0.00 0.00 175.22 172.90 1hqy s HIS 166 N 0.61 2.39 -0.30 10.12 3.76 -1.26 -2.49 115.29 128.12 1hqy s HIS 166 Ca 0.32 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.79 1hqy s HIS 166 Cb -0.17 -1.29 0.15 0.00 1.11 0.00 0.00 32.58 32.38 1hqy s HIS 166 CO 0.15 0.61 0.35 0.99 -0.85 0.00 0.00 174.74 175.99 1hqy s THR 167 N -2.57 -0.49 0.21 1.30 2.01 -0.99 -4.99 115.64 110.12 1hqy s THR 167 Ca 0.32 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.90 1hqy s THR 167 Cb 0.00 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 1hqy s THR 167 CO 0.16 -0.40 0.34 -0.63 -0.69 0.00 0.00 174.62 173.40 1hqy s ILE 168 N 2.32 5.28 -0.37 1.82 1.01 -1.26 -2.99 121.20 127.01 1hqy s ILE 168 Ca 0.10 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1hqy s ILE 168 Cb -0.13 -3.82 0.16 0.00 0.01 0.00 0.00 42.46 38.67 1hqy s ILE 168 CO -0.28 -0.26 0.38 -1.61 0.00 0.00 0.00 174.94 173.17 1hqy s GLU 169 N -3.76 0.62 0.99 2.79 0.41 -0.55 -4.96 118.70 114.25 1hqy s GLU 169 Ca 0.34 -0.78 -0.17 0.00 -0.41 0.00 0.00 54.97 53.95 1hqy s GLU 169 Cb -0.10 -0.68 0.22 0.00 -1.78 0.00 0.00 34.13 31.79 1hqy s GLU 169 CO 0.29 -1.18 1.34 -2.00 -0.49 0.00 0.00 175.26 173.22 1hqy s GLU 170 N 1.52 0.39 -0.28 1.61 2.12 -1.26 -2.77 118.70 120.03 1hqy s GLU 170 Ca 0.16 -0.49 -0.21 0.00 0.36 0.00 0.00 54.97 54.79 1hqy s GLU 170 Cb -0.15 -1.82 0.11 0.00 0.26 0.00 0.00 34.13 32.53 1hqy s GLU 170 CO -0.06 -2.57 0.92 -1.17 -0.54 0.00 0.00 175.26 171.84 1hqy s LEU 171 N -5.96 -0.59 0.02 2.70 2.96 -1.09 -4.89 118.68 111.83 1hqy s LEU 171 Ca 0.76 1.03 0.06 0.00 -0.22 0.00 0.00 54.13 55.76 1hqy s LEU 171 Cb -0.03 2.00 -0.03 0.00 0.50 0.00 0.00 46.19 48.63 1hqy s LEU 171 CO 0.54 -0.17 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.82 1hqy s SER 172 N 0.78 4.08 0.28 3.68 0.01 -1.26 -2.67 113.70 118.61 1hqy s SER 172 Ca -0.03 -0.31 -0.19 0.00 1.31 0.00 0.00 55.95 56.73 1hqy s SER 172 Cb -0.05 -0.78 0.06 0.00 0.21 0.00 0.00 66.02 65.46 1hqy s SER 172 CO -0.10 0.27 0.91 -0.72 0.41 0.00 0.00 173.24 174.01 1hqy s TYR 173 N -0.93 0.08 -1.65 2.43 -0.85 -1.01 -4.98 117.35 110.44 1hqy s TYR 173 Ca 0.15 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 1hqy s TYR 173 Cb -0.11 0.77 0.00 0.00 0.38 0.00 0.00 41.96 43.00 1hqy s TYR 173 CO 0.06 -1.25 0.41 1.63 -1.52 0.00 0.00 175.55 174.88