#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 -0.43 -0.22 4.28 2.01 -1.26 -2.32 115.64 117.70 1hqy s THR 2 Ca 0.00 0.20 -0.05 0.00 0.31 0.00 0.00 61.69 62.15 1hqy s THR 2 Cb 0.00 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 1hqy s THR 2 CO 0.00 0.06 0.01 -0.63 -0.69 0.00 0.00 174.62 173.36 1hqy s ILE 3 N 2.42 3.87 -0.10 1.82 -1.09 -0.20 -3.12 121.20 124.80 1hqy s ILE 3 Ca 0.03 -0.33 0.04 0.00 -2.23 0.00 0.00 60.65 58.15 1hqy s ILE 3 Cb -0.13 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 1hqy s ILE 3 CO -0.10 0.40 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.09 1hqy s VAL 4 N 1.32 2.00 -0.03 2.92 1.01 0.11 -1.82 120.40 125.91 1hqy s VAL 4 Ca 0.04 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.09 1hqy s VAL 4 Cb -0.15 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1hqy s VAL 4 CO 0.01 0.55 -0.18 -0.55 0.00 0.00 0.00 175.10 174.92 1hqy s SER 5 N 0.35 2.20 0.01 3.32 0.15 -0.56 0.60 113.70 119.78 1hqy s SER 5 Ca -0.18 -0.35 -0.05 0.00 0.70 0.00 0.00 55.95 56.07 1hqy s SER 5 Cb -0.18 -0.39 -0.01 0.00 -1.71 0.00 0.00 66.02 63.73 1hqy s SER 5 CO 0.09 0.20 0.09 -0.69 1.20 0.00 0.00 173.24 174.12 1hqy s VAL 6 N -0.25 0.10 -0.12 4.45 1.01 -0.85 -2.34 120.40 122.40 1hqy s VAL 6 Ca 0.03 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1hqy s VAL 6 Cb -0.09 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.89 1hqy s VAL 6 CO 0.00 -0.44 0.03 -0.60 0.00 0.00 0.00 175.10 174.09 1hqy s ARG 7 N -1.56 0.50 -0.15 2.72 3.52 -1.26 -0.68 118.95 122.04 1hqy s ARG 7 Ca -0.14 -0.07 -0.10 0.00 -0.13 0.00 0.00 55.73 55.29 1hqy s ARG 7 Cb -0.07 -1.43 0.05 0.00 -1.56 0.00 0.00 34.95 31.94 1hqy s ARG 7 CO 0.00 -0.46 0.38 0.50 -0.81 0.00 0.00 175.30 174.90 1hqy s ARG 8 N 1.97 0.38 -0.96 5.12 3.52 0.02 -4.96 118.95 124.04 1hqy s ARG 8 Ca 0.03 0.66 -0.10 0.00 -0.13 0.00 0.00 55.73 56.19 1hqy s ARG 8 Cb -0.14 0.04 -0.01 0.00 -1.56 0.00 0.00 34.95 33.28 1hqy s ARG 8 CO -0.06 -0.12 0.75 0.09 -0.81 0.00 0.00 175.30 175.14 1hqy n ASN 9 N 3.79 -6.05 -4.04 -2.12 3.02 -1.26 -2.55 115.26 106.04 1hqy n ASN 9 Ca -0.20 -0.72 -0.32 0.00 -0.03 0.00 0.00 54.58 53.31 1hqy n ASN 9 Cb 0.56 -3.77 -0.00 0.00 -0.61 0.00 0.00 39.78 35.95 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 -1.65 -0.42 3.01 7.41 0.00 -1.26 -4.81 105.19 107.47 1hqy n GLY 10 Ca -0.11 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.42 -0.41 0.00 1.61 3.76 -1.06 -2.29 115.29 113.48 1hqy s HIS 11 Ca 0.55 0.95 0.07 0.00 -0.15 0.00 0.00 55.06 56.48 1hqy s HIS 11 Cb -0.29 -0.03 -0.02 0.00 1.11 0.00 0.00 32.58 33.35 1hqy s HIS 11 CO 0.88 -0.34 -0.21 0.54 -0.85 0.00 0.00 174.74 174.76 1hqy s VAL 12 N 2.26 1.66 0.15 -0.90 0.11 -0.88 -0.80 120.40 122.00 1hqy s VAL 12 Ca -0.00 -0.98 -0.01 0.00 -2.93 0.00 0.00 61.98 58.06 1hqy s VAL 12 Cb -0.12 -1.39 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 1hqy s VAL 12 CO -0.08 0.39 0.07 0.68 -3.33 0.00 0.00 175.10 172.83 1hqy s VAL 13 N -0.58 0.13 -0.09 2.04 -7.23 0.14 -2.15 120.40 112.66 1hqy s VAL 13 Ca 0.08 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 1hqy s VAL 13 Cb -0.08 -2.18 0.05 0.00 0.56 0.00 0.00 36.38 34.73 1hqy s VAL 13 CO -0.00 -0.34 0.18 -0.63 -0.31 0.00 0.00 175.10 174.00 1hqy s ILE 14 N -4.04 -0.23 0.06 -0.62 1.01 -1.03 -2.01 121.20 114.34 1hqy s ILE 14 Ca 0.28 0.29 0.06 0.00 0.00 0.00 0.00 60.65 61.28 1hqy s ILE 14 Cb 0.07 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 1hqy s ILE 14 CO 0.05 0.12 -0.16 0.00 0.00 0.00 0.00 174.94 174.95 1hqy s ALA 15 N 1.99 1.33 0.15 9.38 0.00 0.20 -2.09 121.76 132.73 1hqy s ALA 15 Ca -0.01 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 1hqy s ALA 15 Cb -0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.82 1hqy s ALA 15 CO -0.07 0.24 0.30 0.20 0.00 0.00 0.00 175.76 176.43 1hqy s GLY 16 N -1.49 0.34 0.51 0.00 0.00 -1.21 0.07 107.32 105.54 1hqy s GLY 16 Ca 0.02 -0.76 0.04 0.00 0.00 0.00 0.00 44.72 44.01 1hqy s GLY 16 CO 0.02 -0.76 0.70 2.09 0.00 0.00 0.00 173.10 175.15 1hqy n ASP 17 N -0.20 1.33 -1.13 1.64 5.75 -1.18 -2.27 116.55 120.48 1hqy n ASP 17 Ca -0.09 -2.03 0.01 0.00 -0.01 0.00 0.00 54.79 52.67 1hqy n ASP 17 Cb 0.63 -0.42 0.13 0.00 -1.03 0.00 0.00 41.12 40.43 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 -0.74 4.14 3.71 6.12 0.00 -0.99 -4.51 105.19 112.92 1hqy n GLY 18 Ca 0.13 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.54 4.24 -0.11 1.61 0.74 -1.26 -1.03 119.66 121.31 1hqy s GLN 19 Ca 0.38 0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.93 1hqy s GLN 19 Cb 0.38 -3.45 -0.02 0.00 1.10 0.00 0.00 33.01 31.02 1hqy s GLN 19 CO -0.08 0.17 -0.15 0.00 -0.55 0.00 0.00 175.29 174.68 1hqy s ALA 20 N 0.67 2.56 0.08 1.58 0.00 -0.76 -4.53 121.76 121.37 1hqy s ALA 20 Ca 0.17 -0.92 0.10 0.00 0.00 0.00 0.00 51.96 51.31 1hqy s ALA 20 Cb -0.13 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 1hqy s ALA 20 CO 0.05 0.33 -0.26 0.99 0.00 0.00 0.00 175.76 176.87 1hqy s THR 21 N 0.09 2.16 -0.20 0.00 2.01 -1.26 -1.48 115.64 116.96 1hqy s THR 21 Ca -0.07 -1.55 -0.03 0.00 0.31 0.00 0.00 61.69 60.36 1hqy s THR 21 Cb -0.15 -1.88 0.06 0.00 0.01 0.00 0.00 72.50 70.55 1hqy s THR 21 CO 0.05 0.23 0.05 -0.22 -0.69 0.00 0.00 174.62 174.04 1hqy s LEU 22 N -1.61 1.12 0.00 4.42 0.20 -0.74 -4.89 118.68 117.17 1hqy s LEU 22 Ca 0.12 -0.87 0.00 0.00 0.69 0.00 0.00 54.13 54.07 1hqy s LEU 22 Cb -0.10 -0.56 0.00 0.00 -0.43 0.00 0.00 46.19 45.10 1hqy s LEU 22 CO 0.04 -0.33 0.00 0.61 -0.29 0.00 0.00 176.35 176.38 1hqy n GLY 23 N 5.07 2.32 0.40 7.98 0.00 -1.26 -1.95 105.19 117.76 1hqy n GLY 23 Ca -0.08 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 10.26 2.91 -4.20 1.61 3.02 -1.26 -5.03 115.26 122.57 1hqy n ASN 24 Ca 0.00 -2.88 -0.14 0.00 -0.03 0.00 0.00 54.58 51.53 1hqy n ASN 24 Cb 0.00 -0.42 -0.10 0.00 -0.61 0.00 0.00 39.78 38.65 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 -2.55 0.99 -0.17 3.41 -4.23 -0.82 -5.12 115.64 107.14 1hqy s THR 25 Ca 0.32 -1.80 -0.23 0.00 -1.18 0.00 0.00 61.69 58.80 1hqy s THR 25 Cb 0.26 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.54 1hqy s THR 25 CO 0.06 -0.65 0.72 -0.69 -0.54 0.00 0.00 174.62 173.52 1hqy s VAL 26 N -2.83 4.96 -0.12 2.29 1.01 -1.26 -1.80 120.40 122.66 1hqy s VAL 26 Ca 0.10 1.40 -0.26 0.00 0.00 0.00 0.00 61.98 63.22 1hqy s VAL 26 Cb -0.00 -4.04 -0.27 0.00 0.00 0.00 0.00 36.38 32.07 1hqy s VAL 26 CO -0.00 0.08 0.75 -0.03 0.00 0.00 0.00 175.10 175.91 1hqy h MET 27 N 7.35 0.10 -3.67 2.72 4.05 -1.60 -3.48 114.93 120.40 1hqy h MET 27 Ca -0.31 -0.16 -0.15 0.00 -0.28 0.00 0.00 59.70 58.80 1hqy h MET 27 Cb 1.14 0.06 -0.20 0.00 -0.80 0.00 0.00 31.60 31.80 1hqy h MET 27 CO 0.80 1.08 -0.55 0.21 0.23 0.00 0.00 176.91 178.68 1hqy s LYS 28 N -2.30 0.45 0.00 0.39 2.20 -1.23 -5.02 119.74 114.23 1hqy s LYS 28 Ca -0.18 -0.49 0.06 0.00 -0.36 0.00 0.00 55.97 55.00 1hqy s LYS 28 Cb -0.01 0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.51 1hqy s LYS 28 CO 0.73 -0.10 0.57 0.41 -0.36 0.00 0.00 175.35 176.60 1hqy n GLY 29 N 1.42 -0.45 2.56 5.54 0.00 -1.25 -1.82 105.19 111.19 1hqy n GLY 29 Ca -0.23 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.07 3.29 -4.70 1.61 2.04 -0.76 -4.24 115.26 112.43 1hqy n ASN 30 Ca 0.03 -3.30 -0.42 0.00 -0.44 0.00 0.00 54.58 50.45 1hqy n ASN 30 Cb 0.14 -0.50 -0.03 0.00 -2.53 0.00 0.00 39.78 36.86 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 -4.44 4.65 -0.41 3.53 1.01 -0.20 -4.96 120.40 119.58 1hqy s VAL 31 Ca 0.40 1.92 -0.29 0.00 0.00 0.00 0.00 61.98 64.00 1hqy s VAL 31 Cb 0.42 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1hqy s VAL 31 CO -0.09 0.06 1.28 -0.75 0.00 0.00 0.00 175.10 175.60 1hqy s LYS 32 N 1.63 3.72 0.00 2.72 2.20 -1.26 -4.20 119.74 124.55 1hqy s LYS 32 Ca 0.52 0.88 0.12 0.00 -0.36 0.00 0.00 55.97 57.13 1hqy s LYS 32 Cb -0.21 -3.94 0.16 0.00 -1.51 0.00 0.00 37.83 32.32 1hqy s LYS 32 CO 0.23 -1.38 0.99 1.63 -0.36 0.00 0.00 175.35 176.45 1hqy n LYS 33 N 7.79 1.27 -3.83 4.03 5.02 -1.26 -4.91 118.16 126.27 1hqy n LYS 33 Ca 0.14 -1.46 -0.27 0.00 -2.02 0.00 0.00 58.31 54.71 1hqy n LYS 33 Cb 0.48 -1.25 -0.17 0.00 -0.02 0.00 0.00 35.03 34.08 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 -1.00 0.81 0.00 -0.18 1.01 -1.26 0.11 120.40 119.88 1hqy s VAL 34 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1hqy s VAL 34 Cb 0.11 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1hqy s VAL 34 CO 0.16 0.13 0.00 0.54 0.00 0.00 0.00 175.10 175.92 1hqy n ARG 35 N 4.98 3.64 -3.68 2.72 1.74 0.16 -4.91 116.66 121.31 1hqy n ARG 35 Ca -0.10 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.83 1hqy n ARG 35 Cb 0.48 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.84 1hqy n ARG 35 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1hqy s ARG 36 N 3.57 0.72 0.24 5.56 0.52 -1.26 -3.58 118.95 124.71 1hqy s ARG 36 Ca 0.00 0.32 0.05 0.00 -0.52 0.00 0.00 55.73 55.58 1hqy s ARG 36 Cb 0.00 0.34 -0.02 0.00 0.52 0.00 0.00 34.95 35.79 1hqy s ARG 36 CO 0.00 -0.16 0.18 1.28 0.02 0.00 0.00 175.30 176.61 1hqy n LEU 37 N 1.90 0.00 -3.60 2.53 4.77 0.49 -4.86 117.00 118.23 1hqy n LEU 37 Ca -0.17 -2.19 -0.25 0.00 -0.03 0.00 0.00 56.01 53.37 1hqy n LEU 37 Cb 0.56 1.08 0.01 0.00 -2.33 0.00 0.00 43.42 42.74 1hqy n LEU 37 CO 0.17 -0.36 -0.24 0.00 -1.33 0.00 0.00 177.39 175.63 1hqy n TYR 38 N -0.48 -1.91 -3.94 -1.77 9.36 -1.26 -1.70 117.16 115.47 1hqy n TYR 38 Ca 0.04 0.79 -0.41 0.00 3.32 0.00 0.00 57.90 61.64 1hqy n TYR 38 Cb 0.42 -2.29 0.02 0.00 -0.63 0.00 0.00 39.34 36.86 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 -1.92 -4.57 -4.18 2.98 4.13 -1.26 -1.50 115.26 108.94 1hqy n ASN 39 Ca -0.26 -1.19 -0.33 0.00 1.68 0.00 0.00 54.58 54.49 1hqy n ASN 39 Cb 0.62 -2.15 -0.08 0.00 -1.54 0.00 0.00 39.78 36.63 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 -2.31 -0.31 -0.04 6.41 9.92 -0.69 -4.77 116.55 124.76 1hqy n ASP 40 Ca -0.12 -1.14 -0.06 0.00 -0.53 0.00 0.00 54.79 52.95 1hqy n ASP 40 Cb 0.58 -1.43 -0.04 0.00 -0.64 0.00 0.00 41.12 39.59 1hqy n ASP 40 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1hqy n LYS 41 N -3.97 0.61 -3.70 -1.24 5.02 -0.56 -4.97 118.16 109.34 1hqy n LYS 41 Ca -0.11 0.04 -0.38 0.00 -2.02 0.00 0.00 58.31 55.85 1hqy n LYS 41 Cb 0.52 -1.17 -0.12 0.00 -0.02 0.00 0.00 35.03 34.24 1hqy n LYS 41 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hqy s VAL 42 N -2.17 4.39 0.42 -0.18 1.01 -0.86 -4.61 120.40 118.41 1hqy s VAL 42 Ca -0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1hqy s VAL 42 Cb 0.03 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1hqy s VAL 42 CO 0.21 0.13 0.68 0.27 0.00 0.00 0.00 175.10 176.39 1hqy s ILE 43 N 1.59 4.87 -0.01 2.22 -4.36 -0.52 0.18 121.20 125.17 1hqy s ILE 43 Ca 0.04 -0.15 -0.29 0.00 -0.26 0.00 0.00 60.65 60.00 1hqy s ILE 43 Cb -0.17 -3.82 0.09 0.00 1.25 0.00 0.00 42.46 39.81 1hqy s ILE 43 CO 0.05 -0.67 0.75 0.00 0.24 0.00 0.00 174.94 175.31 1hqy s ALA 44 N -2.55 -1.77 0.24 2.27 0.00 -1.23 -1.12 121.76 117.59 1hqy s ALA 44 Ca 0.44 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.54 1hqy s ALA 44 Cb -0.10 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 1hqy s ALA 44 CO 0.40 -0.51 0.08 0.20 0.00 0.00 0.00 175.76 175.94 1hqy s GLY 45 N -1.76 1.61 0.05 0.00 0.00 -0.20 0.36 107.32 107.38 1hqy s GLY 45 Ca -0.04 -1.80 -0.27 0.00 0.00 0.00 0.00 44.72 42.61 1hqy s GLY 45 CO -0.00 -1.56 0.93 -0.11 0.00 0.00 0.00 173.10 172.35 1hqy s PHE 46 N -3.78 -0.26 -0.22 1.90 -0.71 0.12 -1.31 117.98 113.72 1hqy s PHE 46 Ca 0.35 0.06 -0.00 0.00 -1.04 0.00 0.00 56.93 56.30 1hqy s PHE 46 Cb 0.07 0.57 0.06 0.00 -1.21 0.00 0.00 43.02 42.52 1hqy s PHE 46 CO 0.12 -0.64 -0.03 0.00 -1.34 0.00 0.00 175.22 173.33 1hqy s ALA 47 N -3.16 1.69 0.00 1.99 0.00 -1.19 -4.81 121.76 116.27 1hqy s ALA 47 Ca 0.08 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1hqy s ALA 47 Cb -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.75 1hqy s ALA 47 CO -0.05 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 174.93 1hqy n GLY 48 N 4.78 -0.48 3.76 0.00 0.00 -1.26 -2.71 105.19 109.28 1hqy n GLY 48 Ca -0.11 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 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 2.86 0.50 -0.02 0.00 -1.26 -4.89 107.32 104.51 1hqy s GLY 49 Ca 0.00 1.13 0.33 0.00 0.00 0.00 0.00 44.72 46.18 1hqy s GLY 49 CO 0.00 1.64 1.99 -0.84 0.00 0.00 0.00 173.10 175.89 1hqy h THR 50 N 1.98 0.00 0.02 0.90 2.02 -1.99 -1.96 112.91 113.88 1hqy h THR 50 Ca -0.50 -0.32 -0.35 0.00 0.77 0.00 0.00 66.41 66.01 1hqy h THR 50 Cb 1.26 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 68.85 1hqy h THR 50 CO 0.60 0.00 -1.93 0.00 0.37 0.00 0.00 175.52 174.56 1hqy n ALA 51 N -2.00 1.01 -0.31 6.16 0.00 -1.26 -3.02 120.51 121.08 1hqy n ALA 51 Ca 0.00 -0.77 0.16 0.00 0.00 0.00 0.00 53.44 52.83 1hqy n ALA 51 Cb 0.23 -0.31 0.35 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.71 0.33 0.41 0.00 3.45 -1.90 0.21 116.42 118.20 1hqy h ASP 52 Ca -0.50 0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.11 1hqy h ASP 52 Cb 1.59 0.16 0.00 0.00 -0.56 0.00 0.00 39.33 40.52 1hqy h ASP 52 CO -0.22 -0.06 -0.20 0.00 -1.57 0.00 0.00 179.24 177.19 1hqy h ALA 53 N 1.76 -1.14 0.00 3.45 0.00 -1.50 0.48 119.26 122.32 1hqy h ALA 53 Ca 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1hqy h ALA 53 Cb 1.23 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1hqy h ALA 53 CO -0.57 -1.10 0.00 0.34 0.00 0.00 0.00 179.25 177.92 1hqy n PHE 54 N -3.52 0.00 0.00 0.00 -0.00 0.53 0.29 117.46 114.76 1hqy n PHE 54 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.38 1hqy n PHE 54 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.70 1hqy n PHE 54 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1hqy n THR 55 N -0.54 0.00 0.16 -2.13 -1.04 0.00 -4.40 114.28 106.33 1hqy n THR 55 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 1hqy n THR 55 Cb 0.00 -0.94 0.22 0.00 -1.82 0.00 0.00 70.33 67.79 1hqy n THR 55 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1hqy h LEU 56 N 0.00 0.00 0.20 -4.42 3.38 0.33 -2.75 115.31 112.04 1hqy h LEU 56 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1hqy h LEU 56 Cb 0.99 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.76 1hqy h LEU 56 CO 0.00 0.52 -1.55 -0.26 0.09 0.00 0.00 178.44 177.25 1hqy h PHE 57 N 0.00 0.75 -0.11 1.13 0.04 -0.37 -2.61 116.94 115.77 1hqy h PHE 57 Ca -0.01 -0.55 0.02 0.00 2.80 0.00 0.00 57.97 60.23 1hqy h PHE 57 Cb 1.06 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.16 1hqy h PHE 57 CO 0.00 1.53 0.00 0.93 -0.60 0.00 0.00 178.31 180.18 1hqy h GLU 58 N 0.11 0.04 -0.11 1.51 5.08 -1.74 -1.40 114.58 118.08 1hqy h GLU 58 Ca -0.27 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1hqy h GLU 58 Cb 2.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.33 1hqy h GLU 58 CO 0.22 0.03 0.03 1.25 -1.00 0.00 0.00 179.01 179.54 1hqy h LEU 59 N 0.04 0.04 -0.95 1.33 5.85 -1.60 -2.12 115.31 117.91 1hqy h LEU 59 Ca 0.05 0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.97 1hqy h LEU 59 Cb 0.05 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 40.99 1hqy h LEU 59 CO -0.08 0.04 0.53 0.15 -0.34 0.00 0.00 178.44 178.74 1hqy h PHE 60 N 0.09 0.92 -0.48 1.25 3.57 -1.14 0.17 116.94 121.32 1hqy h PHE 60 Ca 0.05 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1hqy h PHE 60 Cb 0.03 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.46 1hqy h PHE 60 CO -0.10 0.16 0.22 0.93 -2.23 0.00 0.00 178.31 177.29 1hqy h GLU 61 N 0.66 0.42 -0.68 1.11 5.08 -0.58 -2.00 114.58 118.59 1hqy h GLU 61 Ca 0.55 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.86 1hqy h GLU 61 Cb 0.89 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1hqy h GLU 61 CO -0.41 0.28 0.30 0.00 -1.00 0.00 0.00 179.01 178.18 1hqy h ARG 62 N 0.44 1.00 -0.09 2.33 3.08 -0.48 -1.51 114.38 119.14 1hqy h ARG 62 Ca 0.22 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1hqy h ARG 62 Cb 0.16 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1hqy h ARG 62 CO -0.18 0.81 0.06 0.87 -1.07 0.00 0.00 179.97 180.47 1hqy h LYS 63 N 0.96 0.00 -0.05 0.04 1.79 -0.70 0.25 116.57 118.85 1hqy h LYS 63 Ca 0.23 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.53 1hqy h LYS 63 Cb 0.17 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1hqy h LYS 63 CO -0.02 0.00 -0.70 -0.07 -1.08 0.00 0.00 179.45 177.57 1hqy h LEU 64 N 0.00 0.31 -0.83 2.94 3.38 -0.59 -2.25 115.31 118.27 1hqy h LEU 64 Ca 0.04 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1hqy h LEU 64 Cb 0.17 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1hqy h LEU 64 CO -0.00 0.91 -0.31 -0.33 0.09 0.00 0.00 178.44 178.80 1hqy h GLU 65 N 0.18 0.00 -0.30 1.13 5.08 0.13 -2.58 114.58 118.23 1hqy h GLU 65 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1hqy h GLU 65 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1hqy h GLU 65 CO 0.11 0.31 0.00 -1.33 -1.00 0.00 0.00 179.01 177.10 1hqy n MET 66 N -3.39 2.12 -2.68 2.33 2.81 0.50 -4.36 117.12 114.45 1hqy n MET 66 Ca 0.00 -1.70 -0.08 0.00 -1.81 0.00 0.00 57.70 54.12 1hqy n MET 66 Cb 0.51 -1.44 0.08 0.00 -0.71 0.00 0.00 33.22 31.65 1hqy n MET 66 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1hqy n HIS 67 N 0.91 -0.68 -1.88 2.03 8.25 -0.87 -5.04 115.22 117.94 1hqy n HIS 67 Ca 0.17 -2.35 0.00 0.00 -0.26 0.00 0.00 57.72 55.29 1hqy n HIS 67 Cb 0.46 0.63 0.00 0.00 1.12 0.00 0.00 29.99 32.20 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 -0.34 0.00 0.00 -0.41 6.02 -1.08 -0.39 117.38 121.19 1hqy n GLN 68 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1hqy n GLN 68 Cb 0.84 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.10 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 -0.31 0.00 3.56 1.08 0.00 -1.06 -4.85 105.19 103.61 1hqy n GLY 69 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.61 1.11 0.00 1.61 5.04 0.48 -4.84 115.29 118.08 1hqy s HIS 70 Ca 0.00 1.80 0.00 0.00 -1.54 0.00 0.00 55.06 55.32 1hqy s HIS 70 Cb 0.00 -3.50 0.00 0.00 0.04 0.00 0.00 32.58 29.12 1hqy s HIS 70 CO 0.00 -2.00 0.54 -0.11 -2.34 0.00 0.00 174.74 170.83 1hqy n LEU 71 N 17.43 0.00 -0.23 8.88 -0.00 -1.26 -2.90 117.00 138.92 1hqy n LEU 71 Ca 0.42 0.54 -0.03 0.00 -0.00 0.00 0.00 56.01 56.94 1hqy n LEU 71 Cb 0.48 -0.04 -0.01 0.00 -0.00 0.00 0.00 43.42 43.85 1hqy n LEU 71 CO 0.62 -0.04 0.31 0.52 -0.00 0.00 0.00 177.39 178.80 1hqy n VAL 72 N -1.11 -0.34 0.10 1.96 0.31 -1.26 -1.63 118.33 116.35 1hqy n VAL 72 Ca 0.00 1.38 -0.14 0.00 -0.01 0.00 0.00 64.34 65.57 1hqy n VAL 72 Cb 0.00 -1.77 -0.07 0.00 -0.91 0.00 0.00 33.84 31.09 1hqy n VAL 72 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1hqy h LYS 73 N 0.00 -0.57 -0.69 5.55 3.11 -1.91 0.79 116.57 122.84 1hqy h LYS 73 Ca 0.16 0.04 0.11 0.00 -2.81 0.00 0.00 60.65 58.14 1hqy h LYS 73 Cb 0.30 0.13 -0.08 0.00 -1.00 0.00 0.00 32.23 31.58 1hqy h LYS 73 CO -0.56 -0.38 0.31 0.00 -2.81 0.00 0.00 179.45 176.00 1hqy h ALA 74 N -0.04 0.94 -0.18 5.00 0.00 -1.20 0.62 119.26 124.41 1hqy h ALA 74 Ca 0.03 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1hqy h ALA 74 Cb 0.64 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1hqy h ALA 74 CO -0.25 -0.13 -0.04 0.00 0.00 0.00 0.00 179.25 178.84 1hqy h ALA 75 N 1.45 0.12 -0.55 0.00 0.00 -0.35 0.90 119.26 120.83 1hqy h ALA 75 Ca 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1hqy h ALA 75 Cb 0.44 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1hqy h ALA 75 CO -0.31 -0.47 0.31 0.28 0.00 0.00 0.00 179.25 179.06 1hqy h VAL 76 N 0.01 1.18 -0.05 0.00 2.07 0.23 -1.66 116.25 118.02 1hqy h VAL 76 Ca 0.09 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1hqy h VAL 76 Cb 0.13 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1hqy h VAL 76 CO -0.18 0.19 -0.23 -0.33 0.02 0.00 0.00 177.57 177.03 1hqy h GLU 77 N 0.74 0.09 0.20 1.57 4.39 0.97 -2.79 114.58 119.77 1hqy h GLU 77 Ca 0.20 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1hqy h GLU 77 Cb 0.03 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1hqy h GLU 77 CO -0.03 0.32 -0.10 1.25 -1.16 0.00 0.00 179.01 179.29 1hqy h LEU 78 N 0.08 -0.23 -0.87 1.33 5.85 0.17 -2.94 115.31 118.70 1hqy h LEU 78 Ca 0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1hqy h LEU 78 Cb 0.46 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1hqy h LEU 78 CO 0.03 -0.10 0.47 0.00 -0.34 0.00 0.00 178.44 178.50 1hqy h ALA 79 N -1.75 1.37 0.00 1.25 0.00 -1.37 -1.85 119.26 116.91 1hqy h ALA 79 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1hqy h ALA 79 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1hqy h ALA 79 CO 0.05 -0.37 -0.00 -0.22 0.00 0.00 0.00 179.25 178.70 1hqy h LYS 80 N 0.00 -0.00 -0.53 0.00 3.64 -1.31 -3.15 116.57 115.22 1hqy h LYS 80 Ca 0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1hqy h LYS 80 Cb 0.93 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.68 1hqy h LYS 80 CO 0.00 -0.00 0.15 -0.44 -2.27 0.00 0.00 179.45 176.89 1hqy h ASP 81 N -0.00 0.09 0.00 4.20 3.32 -1.33 -1.94 116.42 120.75 1hqy h ASP 81 Ca -0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1hqy h ASP 81 Cb 0.00 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1hqy h ASP 81 CO 0.00 0.07 0.47 -0.25 -1.72 0.00 0.00 179.24 177.81 1hqy h TRP 82 N 0.30 0.00 -0.01 4.55 7.01 -1.52 1.05 115.95 127.34 1hqy h TRP 82 Ca 0.27 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.27 1hqy h TRP 82 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1hqy h TRP 82 CO -0.20 0.00 -0.03 2.89 -2.79 0.00 0.00 178.44 178.31 1hqy n ARG 83 N -2.33 0.64 -0.01 2.65 1.85 -0.75 -4.17 116.66 114.54 1hqy n ARG 83 Ca -0.01 -0.66 -0.04 0.00 -1.00 0.00 0.00 57.85 56.14 1hqy n ARG 83 Cb 0.49 -1.03 -0.01 0.00 -1.05 0.00 0.00 32.46 30.86 1hqy n ARG 83 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1hqy n THR 84 N 0.05 1.26 -1.49 8.89 -1.04 0.33 -4.95 114.28 117.33 1hqy n THR 84 Ca 0.02 0.25 -0.46 0.00 -2.04 0.00 0.00 64.05 61.82 1hqy n THR 84 Cb 0.11 -1.87 -0.06 0.00 -1.82 0.00 0.00 70.33 66.69 1hqy n THR 84 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1hqy n ASP 85 N -3.84 2.28 -0.08 8.00 -0.08 0.56 -4.83 116.55 118.55 1hqy n ASP 85 Ca -0.07 0.22 -0.02 0.00 -1.51 0.00 0.00 54.79 53.41 1hqy n ASP 85 Cb 0.26 -1.35 -0.01 0.00 2.34 0.00 0.00 41.12 42.36 1hqy n ASP 85 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1hqy n ARG 86 N 8.46 -0.08 0.24 -0.67 1.74 -1.26 -0.59 116.66 124.50 1hqy n ARG 86 Ca 0.40 0.32 -0.10 0.00 -0.77 0.00 0.00 57.85 57.70 1hqy n ARG 86 Cb 0.31 -0.47 -0.05 0.00 -1.02 0.00 0.00 32.46 31.23 1hqy n ARG 86 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1hqy h MET 87 N 0.00 -0.62 -1.36 5.56 2.86 -1.98 -3.19 114.93 116.20 1hqy h MET 87 Ca 0.05 0.04 0.43 0.00 -2.06 0.00 0.00 59.70 58.16 1hqy h MET 87 Cb 0.10 0.14 -0.12 0.00 0.06 0.00 0.00 31.60 31.79 1hqy h MET 87 CO -0.20 -0.42 0.90 1.25 1.06 0.00 0.00 176.91 179.51 1hqy h LEU 88 N -0.92 0.22 -1.88 1.22 5.85 -1.20 0.41 115.31 119.00 1hqy h LEU 88 Ca -0.07 0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.89 1hqy h LEU 88 Cb 0.50 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1hqy h LEU 88 CO 0.11 -0.13 0.51 0.03 -0.34 0.00 0.00 178.44 178.62 1hqy h ARG 89 N 0.10 0.00 0.00 1.25 3.08 -0.83 -2.07 114.38 115.91 1hqy h ARG 89 Ca 0.80 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.70 1hqy h ARG 89 Cb 2.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.63 1hqy h ARG 89 CO -0.34 0.00 -0.89 0.87 -1.07 0.00 0.00 179.97 178.54 1hqy h LYS 90 N 0.00 0.00 -6.64 0.04 6.56 -1.08 -3.46 116.57 112.00 1hqy h LYS 90 Ca 0.20 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 59.27 1hqy h LYS 90 Cb 1.23 0.00 0.05 0.00 -0.57 0.00 0.00 32.23 32.94 1hqy h LYS 90 CO -0.00 0.50 0.93 -0.51 -2.06 0.00 0.00 179.45 178.31 1hqy s LEU 91 N -6.27 4.37 -0.08 2.94 1.02 -0.78 -4.99 118.68 114.90 1hqy s LEU 91 Ca 0.01 2.73 0.01 0.00 0.02 0.00 0.00 54.13 56.91 1hqy s LEU 91 Cb 0.08 -3.60 -0.03 0.00 0.02 0.00 0.00 46.19 42.67 1hqy s LEU 91 CO 0.78 -0.89 -0.10 -1.61 0.02 0.00 0.00 176.35 174.55 1hqy s GLU 92 N 1.09 2.81 0.00 1.70 2.02 -1.26 -4.85 118.70 120.21 1hqy s GLU 92 Ca 0.72 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 55.09 1hqy s GLU 92 Cb -0.46 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1hqy s GLU 92 CO 0.32 0.56 0.00 0.00 0.02 0.00 0.00 175.26 176.16 1hqy n ALA 93 N 2.53 0.00 -3.54 5.21 0.00 -1.26 -4.32 120.51 119.13 1hqy n ALA 93 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.97 1hqy n ALA 93 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 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 1.06 0.05 0.00 1.43 -1.10 -3.99 118.68 116.13 1hqy s LEU 94 Ca 0.00 -1.83 -0.29 0.00 -1.03 0.00 0.00 54.13 50.98 1hqy s LEU 94 Cb 0.00 -0.47 -0.05 0.00 0.03 0.00 0.00 46.19 45.70 1hqy s LEU 94 CO 0.00 -0.37 0.93 -0.76 0.23 0.00 0.00 176.35 176.39 1hqy s LEU 95 N 1.46 4.43 -0.16 1.79 1.02 -1.10 -3.17 118.68 122.94 1hqy s LEU 95 Ca 0.14 1.67 -0.03 0.00 0.02 0.00 0.00 54.13 55.93 1hqy s LEU 95 Cb -0.20 -3.51 -0.02 0.00 0.02 0.00 0.00 46.19 42.48 1hqy s LEU 95 CO -0.16 -0.14 -0.06 0.00 0.02 0.00 0.00 176.35 176.01 1hqy s ALA 96 N 0.45 2.84 -0.01 4.21 0.00 -0.43 -1.32 121.76 127.51 1hqy s ALA 96 Ca 0.47 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 1hqy s ALA 96 Cb -0.22 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.41 1hqy s ALA 96 CO 0.28 0.06 0.02 0.54 0.00 0.00 0.00 175.76 176.66 1hqy s VAL 97 N 0.64 -0.01 -0.16 0.00 0.11 -0.05 -1.03 120.40 119.89 1hqy s VAL 97 Ca -0.04 0.04 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 1hqy s VAL 97 Cb -0.15 -0.05 0.04 0.00 -1.53 0.00 0.00 36.38 34.70 1hqy s VAL 97 CO 0.02 0.01 0.43 0.00 -3.33 0.00 0.00 175.10 172.24 1hqy s ALA 98 N 0.19 -1.07 0.42 1.54 0.00 -0.28 -0.27 121.76 122.30 1hqy s ALA 98 Ca -0.02 1.24 0.04 0.00 0.00 0.00 0.00 51.96 53.23 1hqy s ALA 98 Cb -0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1hqy s ALA 98 CO -0.01 -0.21 0.16 0.16 0.00 0.00 0.00 175.76 175.87 1hqy s ASP 99 N 0.30 2.86 0.46 0.00 -4.77 -0.25 -1.43 116.67 113.84 1hqy s ASP 99 Ca -0.01 -1.75 0.19 0.00 -3.30 0.00 0.00 52.55 47.68 1hqy s ASP 99 Cb -0.03 0.63 1.17 0.00 -1.09 0.00 0.00 42.92 43.59 1hqy s ASP 99 CO -0.00 -1.01 1.93 1.05 0.70 0.00 0.00 175.17 177.83 1hqy h GLU 100 N 1.73 0.28 0.00 2.11 4.11 -1.96 -3.02 114.58 117.84 1hqy h GLU 100 Ca -0.33 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.08 1hqy h GLU 100 Cb 1.27 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1hqy h GLU 100 CO 0.52 0.19 0.00 2.41 0.07 0.00 0.00 179.01 182.20 1hqy n THR 101 N -4.44 0.00 -3.93 -1.06 -1.04 -1.26 -5.01 114.28 97.54 1hqy n THR 101 Ca 0.14 1.02 -0.11 0.00 -2.04 0.00 0.00 64.05 63.06 1hqy n THR 101 Cb 0.60 -2.02 -0.02 0.00 -1.82 0.00 0.00 70.33 67.08 1hqy n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hqy n ALA 102 N -0.56 -0.38 -2.79 2.41 0.00 -1.14 -5.18 120.51 112.87 1hqy n ALA 102 Ca 0.00 -1.27 -0.15 0.00 0.00 0.00 0.00 53.44 52.02 1hqy n ALA 102 Cb 0.00 1.02 -0.12 0.00 0.00 0.00 0.00 19.45 20.36 1hqy n ALA 102 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1hqy s SER 103 N -2.72 1.17 0.17 0.00 1.04 -1.26 -1.09 113.70 111.01 1hqy s SER 103 Ca 0.22 -0.58 -0.23 0.00 0.48 0.00 0.00 55.95 55.83 1hqy s SER 103 Cb -0.01 0.01 0.07 0.00 0.10 0.00 0.00 66.02 66.18 1hqy s SER 103 CO 0.16 -0.16 0.99 -1.48 0.98 0.00 0.00 173.24 173.73 1hqy s LEU 104 N -1.67 -0.09 -0.08 2.42 2.34 0.63 -4.66 118.68 117.57 1hqy s LEU 104 Ca -0.07 -0.55 0.00 0.00 0.06 0.00 0.00 54.13 53.57 1hqy s LEU 104 Cb -0.10 2.14 -0.03 0.00 -0.56 0.00 0.00 46.19 47.65 1hqy s LEU 104 CO 0.01 -0.97 -0.06 -0.63 -1.06 0.00 0.00 176.35 173.65 1hqy s ILE 105 N -2.74 3.81 0.04 1.48 1.01 -0.43 -0.87 121.20 123.50 1hqy s ILE 105 Ca 0.16 -0.44 0.09 0.00 0.00 0.00 0.00 60.65 60.47 1hqy s ILE 105 Cb -0.02 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 1hqy s ILE 105 CO 0.04 0.59 -0.25 -0.63 0.00 0.00 0.00 174.94 174.69 1hqy s ILE 106 N -0.74 2.24 0.05 2.92 1.09 -0.43 -1.07 121.20 125.27 1hqy s ILE 106 Ca 0.11 -1.36 0.03 0.00 -1.10 0.00 0.00 60.65 58.34 1hqy s ILE 106 Cb -0.11 -1.88 -0.03 0.00 -1.06 0.00 0.00 42.46 39.38 1hqy s ILE 106 CO 0.02 0.37 -0.10 0.42 -0.10 0.00 0.00 174.94 175.55 1hqy s THR 107 N -0.82 0.71 0.57 2.92 -4.23 -1.13 -2.71 115.64 110.95 1hqy s THR 107 Ca 0.12 -1.15 0.43 0.00 -1.18 0.00 0.00 61.69 59.92 1hqy s THR 107 Cb -0.10 -0.75 0.64 0.00 1.34 0.00 0.00 72.50 73.63 1hqy s THR 107 CO 0.02 -0.34 1.54 1.23 -0.54 0.00 0.00 174.62 176.54 1hqy h GLY 108 N 4.43 0.00 2.00 3.99 0.00 -1.89 1.22 103.07 112.82 1hqy h GLY 108 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1hqy h GLY 108 CO 0.41 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.65 1hqy n ASN 109 N -3.80 0.05 0.00 0.19 5.03 -1.26 -4.22 115.26 111.25 1hqy n ASN 109 Ca 0.37 0.52 0.00 0.00 0.87 0.00 0.00 54.58 56.33 1hqy n ASN 109 Cb 1.80 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 40.03 1hqy n ASN 109 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1hqy n GLY 110 N -0.72 0.72 3.79 7.41 0.00 0.42 -4.91 105.19 111.90 1hqy n GLY 110 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.78 5.72 -0.20 1.61 -0.00 -1.22 -4.58 116.67 115.22 1hqy s ASP 111 Ca 0.00 1.98 -0.01 0.00 -0.00 0.00 0.00 52.55 54.52 1hqy s ASP 111 Cb 0.00 -2.56 0.05 0.00 -0.00 0.00 0.00 42.92 40.42 1hqy s ASP 111 CO 0.00 -1.21 -0.01 -0.69 -0.00 0.00 0.00 175.17 173.25 1hqy s VAL 112 N -2.14 0.98 -0.12 -1.27 1.01 -1.26 -2.83 120.40 114.78 1hqy s VAL 112 Ca 0.68 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1hqy s VAL 112 Cb -0.19 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1hqy s VAL 112 CO 0.32 -0.09 -0.23 -0.69 0.00 0.00 0.00 175.10 174.41 1hqy s VAL 113 N 1.66 2.09 -0.42 2.92 1.01 -0.23 -4.96 120.40 122.46 1hqy s VAL 113 Ca -0.02 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.89 1hqy s VAL 113 Cb -0.17 -1.81 0.09 0.00 0.00 0.00 0.00 36.38 34.49 1hqy s VAL 113 CO -0.07 0.56 0.25 -1.58 0.00 0.00 0.00 175.10 174.26 1hqy s GLN 114 N 0.51 2.45 0.48 2.72 0.74 -1.26 -1.31 119.66 124.00 1hqy s GLN 114 Ca -0.15 -1.59 -0.23 0.00 0.05 0.00 0.00 55.36 53.45 1hqy s GLN 114 Cb -0.17 -3.74 -0.07 0.00 1.10 0.00 0.00 33.01 30.13 1hqy s GLN 114 CO 0.05 -1.01 1.27 -1.25 -0.55 0.00 0.00 175.29 173.80 1hqy s PRO 115 N 1.35 3.55 0.00 1.67 0.04 -1.26 -4.90 135.00 135.45 1hqy s PRO 115 Ca 0.04 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1hqy s PRO 115 Cb -0.24 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1hqy s PRO 115 CO 0.00 -0.80 0.00 0.39 0.04 0.00 0.00 177.00 176.63 1hqy n GLU 116 N -0.60 0.00 -2.56 4.56 4.71 -1.26 -0.90 120.64 124.59 1hqy n GLU 116 Ca 0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.10 1hqy n GLU 116 Cb 0.46 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 30.92 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 -3.48 2.77 -2.56 1.62 3.02 -1.26 -4.88 115.26 110.49 1hqy n ASN 117 Ca 0.00 -2.93 -0.18 0.00 -0.03 0.00 0.00 54.58 51.43 1hqy n ASN 117 Cb 0.00 -0.47 -0.00 0.00 -0.61 0.00 0.00 39.78 38.70 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 -0.39 -5.08 -4.49 6.41 8.00 -0.08 -4.62 116.55 116.30 1hqy n ASP 118 Ca 0.21 -0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.35 1hqy n ASP 118 Cb 0.80 -4.23 -0.12 0.00 -0.02 0.00 0.00 41.12 37.55 1hqy n ASP 118 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1hqy s LEU 119 N -6.00 3.55 -0.02 0.64 2.96 -1.26 -4.15 118.68 114.40 1hqy s LEU 119 Ca 0.07 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 53.90 1hqy s LEU 119 Cb -0.03 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1hqy s LEU 119 CO 0.08 0.01 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.28 1hqy s ILE 120 N 1.37 1.68 -0.40 6.68 1.01 -0.99 -4.59 121.20 125.97 1hqy s ILE 120 Ca 0.05 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.85 1hqy s ILE 120 Cb -0.15 -1.40 0.17 0.00 0.01 0.00 0.00 42.46 41.09 1hqy s ILE 120 CO 0.04 0.47 0.49 0.00 0.00 0.00 0.00 174.94 175.94 1hqy s ALA 121 N -0.45 -1.15 0.23 9.38 0.00 -1.25 -1.50 121.76 127.02 1hqy s ALA 121 Ca 0.07 -0.59 0.08 0.00 0.00 0.00 0.00 51.96 51.52 1hqy s ALA 121 Cb -0.09 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 1hqy s ALA 121 CO -0.00 -2.18 0.04 0.96 0.00 0.00 0.00 175.76 174.58 1hqy s ILE 122 N 1.48 3.79 0.00 0.00 -4.36 -0.76 -4.36 121.20 116.99 1hqy s ILE 122 Ca 0.18 -1.61 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 1hqy s ILE 122 Cb -0.10 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.62 1hqy s ILE 122 CO -0.05 -0.27 0.00 0.61 0.24 0.00 0.00 174.94 175.48 1hqy n GLY 123 N -0.66 1.85 0.34 6.27 0.00 -1.26 -1.04 105.19 110.69 1hqy n GLY 123 Ca -0.08 -2.02 0.18 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.03 1.61 4.64 -1.87 0.16 113.55 118.07 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 -0.03 0.61 -0.87 0.00 0.00 176.83 176.54 1hqy n GLY 125 N -1.43 0.91 0.35 -0.77 0.00 -1.03 -4.65 105.19 98.58 1hqy n GLY 125 Ca 0.03 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 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 4.72 -1.16 1.37 -0.02 0.00 -0.80 -1.53 103.07 105.65 1hqy h GLY 126 Ca 0.00 0.85 0.03 0.00 0.00 0.00 0.00 47.33 48.21 1hqy h GLY 126 CO 0.00 -0.15 0.35 -2.55 0.00 0.00 0.00 176.54 174.20 1hqy h PRO 127 N -0.05 0.60 -0.20 4.80 0.11 -1.79 0.81 132.00 136.29 1hqy h PRO 127 Ca 0.12 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.09 1hqy h PRO 127 Cb 0.36 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 1hqy h PRO 127 CO -0.74 0.40 -0.35 1.88 -0.21 0.00 0.00 178.00 178.97 1hqy h TYR 128 N 0.62 0.49 -0.15 0.65 0.05 -1.64 0.01 116.97 116.99 1hqy h TYR 128 Ca 0.21 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 1hqy h TYR 128 Cb 0.09 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 37.71 1hqy h TYR 128 CO -0.00 0.72 -0.10 0.00 -1.05 0.00 0.00 178.16 177.73 1hqy h ALA 129 N 1.27 0.22 -0.47 3.88 0.00 -0.48 -2.09 119.26 121.59 1hqy h ALA 129 Ca 0.04 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.72 1hqy h ALA 129 Cb 0.79 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1hqy h ALA 129 CO 0.06 0.05 0.16 0.37 0.00 0.00 0.00 179.25 179.90 1hqy h GLN 130 N -0.01 0.33 -0.67 0.00 4.15 -0.59 0.45 115.11 118.77 1hqy h GLN 130 Ca 0.03 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.44 1hqy h GLN 130 Cb 0.60 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.18 1hqy h GLN 130 CO 0.03 0.22 0.44 0.00 -1.93 0.00 0.00 178.83 177.58 1hqy h ALA 131 N 1.31 0.85 -0.08 3.38 0.00 -0.88 0.29 119.26 124.13 1hqy h ALA 131 Ca 0.22 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1hqy h ALA 131 Cb 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1hqy h ALA 131 CO -0.23 0.25 -0.74 0.00 0.00 0.00 0.00 179.25 178.53 1hqy h ALA 132 N 1.26 0.56 -0.08 0.00 0.00 -0.71 -2.07 119.26 118.21 1hqy h ALA 132 Ca 0.25 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1hqy h ALA 132 Cb -0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1hqy h ALA 132 CO -0.07 0.76 -0.03 0.00 0.00 0.00 0.00 179.25 179.91 1hqy h ALA 133 N 0.89 0.11 -0.33 0.00 0.00 0.34 -1.93 119.26 118.34 1hqy h ALA 133 Ca -0.03 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.70 1hqy h ALA 133 Cb 1.33 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1hqy h ALA 133 CO 0.13 -0.14 0.01 -0.09 0.00 0.00 0.00 179.25 179.16 1hqy h ARG 134 N -0.19 0.11 0.05 0.00 9.65 -0.46 0.62 114.38 124.15 1hqy h ARG 134 Ca 0.02 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1hqy h ARG 134 Cb 0.46 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 1hqy h ARG 134 CO 0.01 0.07 -0.28 0.00 2.80 0.00 0.00 179.97 182.57 1hqy h ALA 135 N 1.28 -0.78 -0.43 2.80 0.00 -1.24 -2.04 119.26 118.85 1hqy h ALA 135 Ca 0.16 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1hqy h ALA 135 Cb 0.21 0.70 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 1hqy h ALA 135 CO -0.25 -0.85 -0.28 -0.07 0.00 0.00 0.00 179.25 177.80 1hqy h LEU 136 N -0.39 -0.93 -2.22 0.00 4.07 -1.05 -0.99 115.31 113.81 1hqy h LEU 136 Ca -0.00 0.18 0.05 0.00 0.08 0.00 0.00 57.88 58.20 1hqy h LEU 136 Cb 0.39 0.46 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 1hqy h LEU 136 CO -0.16 -0.29 0.21 0.25 -1.08 0.00 0.00 178.44 177.38 1hqy h LEU 137 N -0.19 0.00 0.00 1.67 5.85 -0.71 -0.71 115.31 121.21 1hqy h LEU 137 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1hqy h LEU 137 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1hqy h LEU 137 CO -0.54 0.00 -1.22 -0.62 -0.34 0.00 0.00 178.44 175.72 1hqy n GLU 138 N -3.78 0.65 -0.09 1.25 1.02 -0.49 -4.57 120.64 114.63 1hqy n GLU 138 Ca 0.02 -0.06 0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1hqy n GLU 138 Cb 0.34 -1.42 0.03 0.00 -0.02 0.00 0.00 31.44 30.37 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 -1.69 1.30 -3.59 1.62 3.02 -0.55 -5.08 115.26 110.29 1hqy n ASN 139 Ca 0.01 -2.02 -0.12 0.00 -0.03 0.00 0.00 54.58 52.43 1hqy n ASN 139 Cb 0.37 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.06 0.05 -2.07 3.41 -4.23 -0.33 -5.00 115.64 106.41 1hqy s THR 140 Ca 0.08 -0.41 0.13 0.00 -1.18 0.00 0.00 61.69 60.31 1hqy s THR 140 Cb 0.07 -1.07 0.34 0.00 1.34 0.00 0.00 72.50 73.17 1hqy s THR 140 CO 0.01 -0.22 1.33 -0.62 -0.54 0.00 0.00 174.62 174.57 1hqy n GLU 141 N -0.02 1.74 -0.81 3.99 -0.58 -1.26 -4.69 120.64 119.00 1hqy n GLU 141 Ca -0.17 -1.14 -0.34 0.00 -0.42 0.00 0.00 57.16 55.09 1hqy n GLU 141 Cb 0.63 -1.29 0.12 0.00 -0.57 0.00 0.00 31.44 30.32 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 0.41 -1.73 -4.92 -4.62 4.77 -1.26 -4.99 117.00 104.66 1hqy n LEU 142 Ca 0.12 0.19 -0.27 0.00 -0.03 0.00 0.00 56.01 56.01 1hqy n LEU 142 Cb 0.29 -1.05 -0.03 0.00 -2.33 0.00 0.00 43.42 40.30 1hqy n LEU 142 CO 0.09 -3.82 0.12 -0.94 -1.33 0.00 0.00 177.39 171.51 1hqy s SER 143 N -1.77 6.40 0.33 -1.43 1.04 -1.26 -4.90 113.70 112.10 1hqy s SER 143 Ca 0.53 0.54 0.10 0.00 0.48 0.00 0.00 55.95 57.60 1hqy s SER 143 Cb -0.17 -2.07 0.97 0.00 0.10 0.00 0.00 66.02 64.85 1hqy s SER 143 CO 0.69 -0.14 1.63 0.00 0.98 0.00 0.00 173.24 176.41 1hqy h ALA 144 N 1.72 1.67 -0.07 5.32 0.00 -1.87 0.28 119.26 126.31 1hqy h ALA 144 Ca -0.48 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1hqy h ALA 144 Cb 1.19 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1hqy h ALA 144 CO 0.66 -0.61 -0.19 -0.09 0.00 0.00 0.00 179.25 179.03 1hqy h ARG 145 N 0.19 0.24 -0.57 0.00 2.43 -1.91 -2.79 114.38 111.98 1hqy h ARG 145 Ca 0.68 -0.17 0.07 0.00 -0.81 0.00 0.00 59.98 59.74 1hqy h ARG 145 Cb 1.54 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 31.08 1hqy h ARG 145 CO -0.69 0.79 0.38 0.93 -1.51 0.00 0.00 179.97 179.86 1hqy h GLU 146 N -0.26 0.48 0.08 0.20 5.08 -1.03 -1.82 114.58 117.31 1hqy h GLU 146 Ca -0.01 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1hqy h GLU 146 Cb 0.81 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1hqy h GLU 146 CO 0.04 0.32 -0.04 0.82 -1.00 0.00 0.00 179.01 179.15 1hqy h ILE 147 N 0.49 0.00 -0.89 3.13 1.08 -0.59 -1.29 117.51 119.44 1hqy h ILE 147 Ca 0.25 -0.01 0.24 0.00 -0.39 0.00 0.00 64.86 64.94 1hqy h ILE 147 Cb 0.35 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 33.96 1hqy h ILE 147 CO -0.07 0.00 0.27 0.00 -0.69 0.00 0.00 178.15 177.66 1hqy h ALA 148 N -1.94 1.33 0.49 1.87 0.00 -1.43 0.95 119.26 120.54 1hqy h ALA 148 Ca -0.01 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1hqy h ALA 148 Cb 0.08 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1hqy h ALA 148 CO 0.02 -0.46 -0.26 0.93 0.00 0.00 0.00 179.25 179.48 1hqy h GLU 149 N 0.23 -0.66 -0.70 0.00 4.39 -1.35 0.29 114.58 116.78 1hqy h GLU 149 Ca 0.56 0.05 0.08 0.00 0.34 0.00 0.00 59.36 60.39 1hqy h GLU 149 Cb 1.15 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 29.88 1hqy h GLU 149 CO -0.64 -0.44 0.37 0.87 -1.16 0.00 0.00 179.01 178.00 1hqy h LYS 150 N -0.69 0.62 -0.30 2.33 1.57 -0.24 -0.91 116.57 118.95 1hqy h LYS 150 Ca -0.07 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1hqy h LYS 150 Cb 0.54 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1hqy h LYS 150 CO 0.10 0.41 0.08 0.00 -0.57 0.00 0.00 179.45 179.47 1hqy h ALA 151 N 1.40 0.32 -0.61 3.86 0.00 0.97 -1.56 119.26 123.65 1hqy h ALA 151 Ca 0.34 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.36 1hqy h ALA 151 Cb 0.31 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1hqy h ALA 151 CO -0.24 -0.33 0.29 1.25 0.00 0.00 0.00 179.25 180.22 1hqy h LEU 152 N 0.20 0.37 -0.02 0.00 6.46 0.78 -1.49 115.31 121.61 1hqy h LEU 152 Ca 0.14 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1hqy h LEU 152 Cb 0.13 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1hqy h LEU 152 CO -0.16 0.24 0.02 0.44 -0.62 0.00 0.00 178.44 178.35 1hqy h ASP 153 N 0.52 0.03 -0.61 1.25 3.45 -0.67 -0.83 116.42 119.56 1hqy h ASP 153 Ca 0.29 -0.03 0.13 0.00 0.43 0.00 0.00 57.03 57.85 1hqy h ASP 153 Cb 0.27 -0.01 -0.10 0.00 -0.56 0.00 0.00 39.33 38.93 1hqy h ASP 153 CO -0.23 0.05 -0.02 0.40 -1.57 0.00 0.00 179.24 177.87 1hqy h ILE 154 N 0.00 0.48 0.22 0.35 1.08 -0.83 -0.84 117.51 117.98 1hqy h ILE 154 Ca 0.01 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1hqy h ILE 154 Cb 0.03 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 1hqy h ILE 154 CO -0.00 0.02 -0.22 0.00 -0.69 0.00 0.00 178.15 177.26 1hqy h ALA 155 N 1.56 -0.93 0.00 1.87 0.00 -0.73 -1.74 119.26 119.29 1hqy h ALA 155 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1hqy h ALA 155 Cb 0.51 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1hqy h ALA 155 CO -0.54 -0.94 0.47 0.78 0.00 0.00 0.00 179.25 179.02 1hqy h GLY 156 N -0.44 0.00 1.84 0.00 0.00 -0.73 0.79 103.07 104.52 1hqy h GLY 156 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.08 1hqy h GLY 156 CO -0.02 0.00 -1.11 -0.55 0.00 0.00 0.00 176.54 174.85 1hqy h ASP 157 N 0.00 0.02 0.03 0.19 3.45 -0.32 -3.38 116.42 116.42 1hqy h ASP 157 Ca 0.00 -0.02 -0.38 0.00 0.43 0.00 0.00 57.03 57.06 1hqy h ASP 157 Cb 0.94 -0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 39.65 1hqy h ASP 157 CO 0.00 1.02 -2.15 -0.38 -1.57 0.00 0.00 179.24 176.16 1hqy n ILE 158 N -3.32 1.57 -2.53 0.35 2.08 0.23 -4.92 119.36 112.82 1hqy n ILE 158 Ca -0.03 -0.42 -0.43 0.00 0.56 0.00 0.00 62.75 62.43 1hqy n ILE 158 Cb 0.96 -1.75 -0.02 0.00 -0.75 0.00 0.00 39.64 38.08 1hqy n ILE 158 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1hqy n ILE 160 N 5.39 0.93 -0.11 0.00 -0.00 -1.26 -2.02 119.36 122.29 1hqy n ILE 160 Ca 0.13 0.27 0.08 0.00 -0.00 0.00 0.00 62.75 63.23 1hqy n ILE 160 Cb 0.45 -1.15 0.19 0.00 -0.00 0.00 0.00 39.64 39.14 1hqy n ILE 160 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 1hqy n TYR 161 N -1.98 0.55 -4.77 1.39 4.01 -1.26 -4.94 117.16 110.16 1hqy n TYR 161 Ca 0.02 -0.42 -0.25 0.00 -0.16 0.00 0.00 57.90 57.09 1hqy n TYR 161 Cb 0.19 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.05 1.31 0.00 -0.72 2.01 -0.86 -0.72 115.64 115.62 1hqy s THR 162 Ca 0.30 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1hqy s THR 162 Cb 0.16 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.56 1hqy s THR 162 CO 0.22 0.38 0.00 -0.46 -0.69 0.00 0.00 174.62 174.06 1hqy n ASN 163 N 2.93 1.15 -0.59 3.53 0.23 -1.26 -4.50 115.26 116.75 1hqy n ASN 163 Ca -0.16 -0.20 0.09 0.00 -0.53 0.00 0.00 54.58 53.77 1hqy n ASN 163 Cb 0.54 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.45 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 -0.09 0.59 -3.16 -2.53 8.25 -1.26 -4.41 115.22 112.61 1hqy n HIS 164 Ca 0.00 -0.90 -0.39 0.00 -0.26 0.00 0.00 57.72 56.17 1hqy n HIS 164 Cb 0.00 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 30.81 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 -2.76 3.52 0.25 4.41 5.36 -1.26 -4.99 117.98 122.51 1hqy s PHE 165 Ca 0.37 1.07 0.11 0.00 -0.96 0.00 0.00 56.93 57.52 1hqy s PHE 165 Cb 0.31 -2.71 -0.05 0.00 -0.34 0.00 0.00 43.02 40.23 1hqy s PHE 165 CO 0.07 0.08 -0.14 -1.01 -1.46 0.00 0.00 175.22 172.76 1hqy s HIS 166 N 0.89 2.45 -0.32 10.12 3.76 -1.26 -2.34 115.29 128.60 1hqy s HIS 166 Ca 0.32 -0.29 -0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1hqy s HIS 166 Cb -0.16 -1.11 0.13 0.00 1.11 0.00 0.00 32.58 32.54 1hqy s HIS 166 CO 0.14 0.63 0.23 0.99 -0.85 0.00 0.00 174.74 175.88 1hqy s THR 167 N -2.21 -0.12 -0.04 1.30 2.01 -0.96 -4.97 115.64 110.66 1hqy s THR 167 Ca 0.28 -1.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 1hqy s THR 167 Cb -0.06 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 1hqy s THR 167 CO 0.16 -0.73 0.25 -0.63 -0.69 0.00 0.00 174.62 172.97 1hqy s ILE 168 N 1.71 5.32 -0.19 1.82 1.09 -1.26 -3.30 121.20 126.40 1hqy s ILE 168 Ca 0.13 0.29 -0.04 0.00 -1.10 0.00 0.00 60.65 59.94 1hqy s ILE 168 Cb -0.18 -3.54 0.06 0.00 -1.06 0.00 0.00 42.46 37.75 1hqy s ILE 168 CO -0.18 0.49 0.06 -1.61 -0.10 0.00 0.00 174.94 173.59 1hqy s GLU 169 N -1.40 0.43 0.03 2.79 0.41 -0.89 -5.01 118.70 115.06 1hqy s GLU 169 Ca 0.23 -0.33 -0.00 0.00 -0.41 0.00 0.00 54.97 54.45 1hqy s GLU 169 Cb -0.13 -1.97 0.01 0.00 -1.78 0.00 0.00 34.13 30.26 1hqy s GLU 169 CO 0.12 -0.68 0.05 -1.91 -0.49 0.00 0.00 175.26 172.34 1hqy n GLU 170 N 5.13 0.55 -3.18 1.61 2.13 -1.26 -2.47 120.64 123.15 1hqy n GLU 170 Ca -0.08 -0.12 0.04 0.00 0.66 0.00 0.00 57.16 57.66 1hqy n GLU 170 Cb 0.47 -0.03 -0.03 0.00 0.27 0.00 0.00 31.44 32.12 1hqy n GLU 170 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1hqy s LEU 171 N 0.00 -0.12 -0.02 4.31 2.96 -0.92 -4.90 118.68 119.99 1hqy s LEU 171 Ca 0.03 0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 54.06 1hqy s LEU 171 Cb -0.00 1.12 -0.04 0.00 0.50 0.00 0.00 46.19 47.77 1hqy s LEU 171 CO 0.02 -0.02 0.08 -0.44 -1.32 0.00 0.00 176.35 174.67 1hqy s SER 172 N 2.44 5.69 0.18 3.68 0.01 -1.26 -2.08 113.70 122.36 1hqy s SER 172 Ca -0.03 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.40 1hqy s SER 172 Cb -0.04 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.54 1hqy s SER 172 CO -0.13 0.29 0.00 0.00 0.41 0.00 0.00 173.24 173.82 1hqy n TYR 173 N 1.35 -2.42 -0.59 2.43 0.18 -0.97 -5.02 117.16 112.12 1hqy n TYR 173 Ca -0.14 0.49 0.00 0.00 1.88 0.00 0.00 57.90 60.13 1hqy n TYR 173 Cb 0.53 1.39 0.00 0.00 -0.38 0.00 0.00 39.34 40.88 1hqy n TYR 173 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41