#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqi n SER 2 N 0.00 1.52 -2.93 7.83 3.41 -1.26 -4.88 113.62 117.31 1hqi n SER 2 Ca 0.00 0.29 0.03 0.00 -0.26 0.00 0.00 58.87 58.93 1hqi n SER 2 Cb 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1hqi n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1hqi s SER 3 N -6.58 -0.48 0.07 4.04 1.04 -1.26 -5.04 113.70 105.48 1hqi s SER 3 Ca -0.15 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1hqi s SER 3 Cb 0.07 0.84 -0.03 0.00 0.10 0.00 0.00 66.02 67.00 1hqi s SER 3 CO 0.79 -0.07 -0.06 -1.48 0.98 0.00 0.00 173.24 173.41 1hqi s LEU 4 N 2.28 2.41 0.00 2.42 0.05 -1.26 0.27 118.68 124.86 1hqi s LEU 4 Ca 0.19 -0.84 0.02 0.00 0.05 0.00 0.00 54.13 53.55 1hqi s LEU 4 Cb 0.01 -0.03 0.02 0.00 -2.05 0.00 0.00 46.19 44.14 1hqi s LEU 4 CO -0.17 -0.41 0.16 1.33 -0.55 0.00 0.00 176.35 176.71 1hqi n VAL 5 N 0.54 0.00 -3.78 1.48 0.24 -0.82 -4.10 118.33 111.88 1hqi n VAL 5 Ca -0.16 -1.42 -0.13 0.00 -2.04 0.00 0.00 64.34 60.59 1hqi n VAL 5 Cb 0.59 -0.01 -0.12 0.00 -1.47 0.00 0.00 33.84 32.83 1hqi n VAL 5 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1hqi s TYR 6 N -1.87 -0.29 -0.06 6.34 5.04 0.54 -1.92 117.35 125.13 1hqi s TYR 6 Ca 0.12 0.69 -0.04 0.00 -2.44 0.00 0.00 57.07 55.41 1hqi s TYR 6 Cb -0.01 0.09 0.03 0.00 0.35 0.00 0.00 41.96 42.42 1hqi s TYR 6 CO 0.08 -0.14 0.14 0.96 -1.34 0.00 0.00 175.55 175.24 1hqi s ILE 7 N 0.23 -0.02 -0.02 3.14 -4.36 -0.56 0.38 121.20 119.98 1hqi s ILE 7 Ca -0.01 0.08 -0.08 0.00 -0.26 0.00 0.00 60.65 60.39 1hqi s ILE 7 Cb -0.02 -0.22 0.01 0.00 1.25 0.00 0.00 42.46 43.48 1hqi s ILE 7 CO -0.00 0.03 0.17 0.00 0.24 0.00 0.00 174.94 175.38 1hqi s ALA 8 N 0.59 -0.41 0.32 2.27 0.00 -1.19 0.12 121.76 123.46 1hqi s ALA 8 Ca -0.04 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.05 1hqi s ALA 8 Cb -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1hqi s ALA 8 CO -0.03 -0.18 0.18 -0.59 0.00 0.00 0.00 175.76 175.14 1hqi s PHE 9 N -0.96 1.65 -0.42 0.00 -0.71 0.16 0.30 117.98 118.01 1hqi s PHE 9 Ca -0.10 -1.43 0.04 0.00 -1.04 0.00 0.00 56.93 54.40 1hqi s PHE 9 Cb -0.06 -0.86 0.17 0.00 -1.21 0.00 0.00 43.02 41.06 1hqi s PHE 9 CO 0.01 -0.57 0.36 -1.14 -1.34 0.00 0.00 175.22 172.54 1hqi s GLN 10 N -3.73 0.90 0.55 1.99 -0.44 -1.01 -1.06 119.66 116.86 1hqi s GLN 10 Ca 0.35 -2.04 0.05 0.00 -2.50 0.00 0.00 55.36 51.22 1hqi s GLN 10 Cb 0.04 -1.33 0.04 0.00 -1.64 0.00 0.00 33.01 30.11 1hqi s GLN 10 CO 0.19 -1.38 0.39 0.34 0.50 0.00 0.00 175.29 175.33 1hqi s ASP 11 N 0.12 4.61 -0.07 6.67 2.15 -1.26 -2.41 116.67 126.47 1hqi s ASP 11 Ca 0.33 -1.27 0.11 0.00 0.43 0.00 0.00 52.55 52.14 1hqi s ASP 11 Cb 0.03 0.45 0.16 0.00 -0.30 0.00 0.00 42.92 43.27 1hqi s ASP 11 CO -0.19 -1.11 1.07 -3.20 -0.17 0.00 0.00 175.17 171.56 1hqi n ASN 12 N -1.76 2.01 -4.51 -0.34 4.05 -1.26 -4.97 115.26 108.48 1hqi n ASN 12 Ca -0.02 -2.58 -0.43 0.00 0.45 0.00 0.00 54.58 52.00 1hqi n ASN 12 Cb 0.64 -0.26 -0.04 0.00 1.23 0.00 0.00 39.78 41.36 1hqi n ASN 12 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1hqi s ASP 13 N -2.03 6.29 0.00 1.20 1.01 -1.26 -4.84 116.67 117.04 1hqi s ASP 13 Ca 0.18 -0.50 0.11 0.00 0.71 0.00 0.00 52.55 53.05 1hqi s ASP 13 Cb 0.16 -2.45 0.50 0.00 1.01 0.00 0.00 42.92 42.14 1hqi s ASP 13 CO 0.02 -1.34 1.29 0.59 0.21 0.00 0.00 175.17 175.93 1hqi n ASN 14 N 7.72 0.00 0.17 0.27 3.02 -1.26 -2.83 115.26 122.35 1hqi n ASN 14 Ca 0.01 0.31 -0.12 0.00 -0.03 0.00 0.00 54.58 54.74 1hqi n ASN 14 Cb 0.47 -0.39 -0.07 0.00 -0.61 0.00 0.00 39.78 39.18 1hqi n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hqi h ALA 15 N 2.44 -0.46 -0.05 5.41 0.00 -2.01 -2.36 119.26 122.22 1hqi h ALA 15 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1hqi h ALA 15 Cb 0.14 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1hqi h ALA 15 CO 0.00 -0.54 0.04 0.07 0.00 0.00 0.00 179.25 178.82 1hqi h ARG 16 N -0.90 0.00 -0.01 0.00 0.11 -1.95 -1.56 114.38 110.07 1hqi h ARG 16 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1hqi h ARG 16 Cb 0.53 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.61 1hqi h ARG 16 CO 0.08 0.00 0.00 -0.92 0.10 0.00 0.00 179.97 179.23 1hqi h TYR 17 N 0.00 0.01 0.17 4.08 3.20 -1.49 -0.47 116.97 122.46 1hqi h TYR 17 Ca 0.03 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1hqi h TYR 17 Cb 0.11 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1hqi h TYR 17 CO 0.00 0.02 -0.34 0.28 -1.64 0.00 0.00 178.16 176.48 1hqi h VAL 18 N -0.01 0.28 -1.04 1.81 2.07 -0.76 0.37 116.25 118.97 1hqi h VAL 18 Ca 0.00 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.82 1hqi h VAL 18 Cb 0.01 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 1hqi h VAL 18 CO -0.00 0.00 0.74 0.58 0.02 0.00 0.00 177.57 178.91 1hqi h VAL 19 N -0.60 0.49 -0.23 2.57 2.07 -1.24 0.51 116.25 119.81 1hqi h VAL 19 Ca 0.02 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1hqi h VAL 19 Cb 0.61 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1hqi h VAL 19 CO -0.17 0.01 -0.00 -0.08 0.02 0.00 0.00 177.57 177.34 1hqi h GLU 20 N 0.06 0.42 -0.95 1.57 4.57 0.14 -2.16 114.58 118.22 1hqi h GLU 20 Ca 0.51 -0.13 0.20 0.00 -1.18 0.00 0.00 59.36 58.75 1hqi h GLU 20 Cb 1.90 -0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 30.34 1hqi h GLU 20 CO -0.05 0.60 0.53 0.00 -1.18 0.00 0.00 179.01 178.91 1hqi h ALA 21 N 0.80 1.57 -0.46 2.92 0.00 0.13 0.29 119.26 124.52 1hqi h ALA 21 Ca 0.07 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1hqi h ALA 21 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1hqi h ALA 21 CO 0.01 -0.18 0.05 0.82 0.00 0.00 0.00 179.25 179.95 1hqi h ILE 22 N 0.61 1.25 -0.75 0.00 5.03 -1.17 -1.44 117.51 121.05 1hqi h ILE 22 Ca 0.57 -0.96 0.12 0.00 -0.12 0.00 0.00 64.86 64.48 1hqi h ILE 22 Cb 0.97 0.98 -0.08 0.00 -3.03 0.00 0.00 36.82 35.66 1hqi h ILE 22 CO -0.44 0.33 0.34 0.40 -0.68 0.00 0.00 178.15 178.11 1hqi h ILE 23 N 0.63 0.75 -0.11 -0.67 2.04 0.17 0.48 117.51 120.79 1hqi h ILE 23 Ca 0.14 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 1hqi h ILE 23 Cb 0.42 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1hqi h ILE 23 CO 0.01 0.10 -0.31 1.56 0.00 0.00 0.00 178.15 179.51 1hqi h GLN 24 N 0.53 0.22 -0.40 2.37 4.20 -0.95 -1.05 115.11 120.03 1hqi h GLN 24 Ca 0.39 -0.08 0.12 0.00 0.06 0.00 0.00 58.65 59.14 1hqi h GLN 24 Cb 0.52 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1hqi h GLN 24 CO -0.34 0.51 0.50 0.22 -0.67 0.00 0.00 178.83 179.05 1hqi h ASP 25 N 0.19 0.00 -3.49 1.46 3.58 0.10 -3.38 116.42 114.88 1hqi h ASP 25 Ca 0.03 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.94 1hqi h ASP 25 Cb 0.65 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 1hqi h ASP 25 CO 0.05 0.00 0.23 0.20 -2.88 0.00 0.00 179.24 176.84 1hqi s ASN 26 N -4.99 7.34 -0.18 2.28 0.02 -0.40 -4.93 114.94 114.08 1hqi s ASN 26 Ca -0.04 1.59 -0.04 0.00 -1.02 0.00 0.00 52.86 53.36 1hqi s ASN 26 Cb 0.14 -2.51 -0.06 0.00 0.02 0.00 0.00 41.25 38.84 1hqi s ASN 26 CO 0.50 0.02 2.90 -2.65 0.02 0.00 0.00 177.10 177.88 1hqi n PRO 27 N 2.62 1.95 0.00 -0.60 -0.02 -1.26 -3.66 135.00 134.03 1hqi n PRO 27 Ca -0.01 -1.34 0.00 0.00 -2.02 0.00 0.00 63.50 60.12 1hqi n PRO 27 Cb 0.50 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1hqi n PRO 27 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1hqi n HIS 28 N 1.55 -0.01 -2.45 6.00 -0.00 -1.26 -5.09 115.22 113.96 1hqi n HIS 28 Ca 0.37 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 58.14 1hqi n HIS 28 Cb 0.70 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.53 1hqi n HIS 28 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1hqi s ALA 29 N -1.01 3.41 0.00 1.57 0.00 -1.24 -4.95 121.76 119.54 1hqi s ALA 29 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1hqi s ALA 29 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1hqi s ALA 29 CO 0.00 -0.19 0.00 0.28 0.00 0.00 0.00 175.76 175.85 1hqi n VAL 30 N 1.19 0.00 -3.21 0.00 0.31 -1.25 -4.76 118.33 110.61 1hqi n VAL 30 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1hqi n VAL 30 Cb 0.45 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 1hqi n VAL 30 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1hqi n VAL 31 N 0.00 0.00 -3.48 2.52 3.14 -1.26 -4.68 118.33 114.56 1hqi n VAL 31 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1hqi n VAL 31 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1hqi n VAL 31 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1hqi n GLN 32 N 0.00 2.16 0.00 1.45 10.64 -1.13 -3.18 117.38 127.33 1hqi n GLN 32 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1hqi n GLN 32 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1hqi n GLN 32 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1hqi n HIS 33 N -0.22 0.00 0.15 2.61 8.25 -1.26 -4.81 115.22 119.93 1hqi n HIS 33 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1hqi n HIS 33 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1hqi n HIS 33 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1hqi n HIS 34 N 0.00 -3.83 -0.46 4.41 -0.00 -1.26 -5.03 115.22 109.05 1hqi n HIS 34 Ca 0.00 1.03 -0.14 0.00 0.46 0.00 0.00 57.72 59.08 1hqi n HIS 34 Cb 0.00 2.73 0.13 0.00 -0.12 0.00 0.00 29.99 32.74 1hqi n HIS 34 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1hqi n PRO 35 N -3.21 -1.22 0.22 1.57 -0.01 -1.26 -4.65 135.00 126.43 1hqi n PRO 35 Ca 0.00 -0.66 0.17 0.00 -0.01 0.00 0.00 63.50 63.01 1hqi n PRO 35 Cb 0.00 -1.34 0.74 0.00 -0.01 0.00 0.00 33.50 32.89 1hqi n PRO 35 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1hqi h ALA 36 N -2.71 1.74 -2.49 3.55 0.00 -2.00 -3.41 119.26 113.93 1hqi h ALA 36 Ca -0.18 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.20 1hqi h ALA 36 Cb 0.60 0.01 0.14 0.00 0.00 0.00 0.00 17.79 18.55 1hqi h ALA 36 CO 0.11 -0.54 0.35 -1.64 0.00 0.00 0.00 179.25 177.52 1hqi s MET 37 N -4.32 2.14 -0.07 0.00 -1.94 -1.26 -4.68 119.30 109.17 1hqi s MET 37 Ca -0.04 1.52 0.02 0.00 -1.71 0.00 0.00 55.69 55.49 1hqi s MET 37 Cb 0.11 -1.86 0.01 0.00 2.01 0.00 0.00 34.83 35.11 1hqi s MET 37 CO 0.38 -1.78 -0.13 0.42 -0.01 0.00 0.00 175.02 173.90 1hqi s ILE 38 N -2.36 1.23 0.27 2.53 -1.09 -0.23 -4.43 121.20 117.12 1hqi s ILE 38 Ca 0.69 -0.52 0.06 0.00 -2.23 0.00 0.00 60.65 58.64 1hqi s ILE 38 Cb -0.24 -1.12 -0.06 0.00 -1.58 0.00 0.00 42.46 39.47 1hqi s ILE 38 CO 0.48 0.38 -0.06 -0.60 -1.23 0.00 0.00 174.94 173.92 1hqi s ARG 39 N 0.71 1.51 0.26 2.79 3.52 -1.26 -0.66 118.95 125.81 1hqi s ARG 39 Ca -0.13 -1.76 -0.18 0.00 -0.13 0.00 0.00 55.73 53.53 1hqi s ARG 39 Cb -0.16 -1.08 0.01 0.00 -1.56 0.00 0.00 34.95 32.17 1hqi s ARG 39 CO 0.03 0.03 0.61 0.42 -0.81 0.00 0.00 175.30 175.58 1hqi s ILE 40 N -3.07 0.00 0.01 4.11 1.09 0.32 -2.82 121.20 120.84 1hqi s ILE 40 Ca 0.29 -1.11 -0.23 0.00 -1.10 0.00 0.00 60.65 58.50 1hqi s ILE 40 Cb 0.04 -2.01 0.05 0.00 -1.06 0.00 0.00 42.46 39.48 1hqi s ILE 40 CO 0.11 -0.01 0.52 -1.61 -0.10 0.00 0.00 174.94 173.84 1hqi s GLU 41 N -3.95 0.97 0.32 2.79 2.02 -1.26 -1.50 118.70 118.09 1hqi s GLU 41 Ca 0.15 -0.11 0.03 0.00 0.02 0.00 0.00 54.97 55.05 1hqi s GLU 41 Cb -0.03 0.45 -0.01 0.00 0.10 0.00 0.00 34.13 34.63 1hqi s GLU 41 CO 0.06 -0.33 0.10 0.00 0.02 0.00 0.00 175.26 175.12 1hqi n ALA 42 N 0.68 0.43 -3.29 5.21 0.00 -0.81 -3.76 120.51 118.98 1hqi n ALA 42 Ca -0.19 -1.59 -0.25 0.00 0.00 0.00 0.00 53.44 51.40 1hqi n ALA 42 Cb 0.59 1.06 -0.08 0.00 0.00 0.00 0.00 19.45 21.01 1hqi n ALA 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1hqi n GLU 43 N -0.72 0.45 0.00 0.00 1.02 -1.26 -1.95 120.64 118.18 1hqi n GLU 43 Ca -0.05 -3.19 0.00 0.00 -0.02 0.00 0.00 57.16 53.90 1hqi n GLU 43 Cb 0.47 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1hqi n GLU 43 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1hqi n LYS 44 N 2.12 0.00 -4.46 3.49 3.00 0.77 -4.74 118.16 118.34 1hqi n LYS 44 Ca 0.25 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.34 1hqi n LYS 44 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.43 1hqi n LYS 44 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1hqi s ARG 45 N -0.49 1.65 0.09 1.64 3.00 -1.26 -2.16 118.95 121.42 1hqi s ARG 45 Ca 0.00 -1.89 0.05 0.00 0.00 0.00 0.00 55.73 53.89 1hqi s ARG 45 Cb 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 34.95 33.84 1hqi s ARG 45 CO 0.00 -0.08 -0.13 -0.51 0.00 0.00 0.00 175.30 174.58 1hqi s LEU 46 N -3.50 2.35 0.03 2.53 1.43 0.10 -4.90 118.68 116.73 1hqi s LEU 46 Ca 0.33 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1hqi s LEU 46 Cb 0.07 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.79 1hqi s LEU 46 CO 0.14 -0.15 -0.02 -1.83 0.23 0.00 0.00 176.35 174.73 1hqi s GLU 47 N -2.31 0.46 -0.13 1.70 -1.05 -1.26 -2.05 118.70 114.06 1hqi s GLU 47 Ca 0.03 -0.88 -0.14 0.00 -0.15 0.00 0.00 54.97 53.84 1hqi s GLU 47 Cb -0.06 0.16 0.04 0.00 -0.44 0.00 0.00 34.13 33.82 1hqi s GLU 47 CO 0.02 -0.08 0.38 0.42 0.95 0.00 0.00 175.26 176.94 1hqi s ILE 48 N -2.61 0.01 0.12 1.83 1.01 0.12 -4.94 121.20 116.73 1hqi s ILE 48 Ca -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.57 1hqi s ILE 48 Cb -0.02 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 41.93 1hqi s ILE 48 CO -0.05 -0.02 0.15 -2.11 0.00 0.00 0.00 174.94 172.91 1hqi n ARG 49 N 2.71 0.96 0.08 2.79 1.85 -1.26 -2.30 116.66 121.49 1hqi n ARG 49 Ca -0.14 -0.63 -0.08 0.00 -1.00 0.00 0.00 57.85 56.00 1hqi n ARG 49 Cb 0.57 -0.04 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 1hqi n ARG 49 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1hqi h ARG 50 N 0.00 0.20 -0.92 2.89 2.43 -1.95 -3.17 114.38 113.87 1hqi h ARG 50 Ca -0.06 -0.22 0.19 0.00 -0.81 0.00 0.00 59.98 59.09 1hqi h ARG 50 Cb 0.25 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 29.75 1hqi h ARG 50 CO 0.08 0.94 0.49 0.93 -1.51 0.00 0.00 179.97 180.90 1hqi h GLU 51 N 0.12 0.58 -0.10 0.20 5.08 -1.96 -0.01 114.58 118.49 1hqi h GLU 51 Ca -0.04 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1hqi h GLU 51 Cb 1.48 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 1hqi h GLU 51 CO 0.13 0.38 -0.08 1.15 -1.00 0.00 0.00 179.01 179.60 1hqi h THR 52 N 0.60 1.35 -0.70 1.13 2.02 -1.95 -2.17 112.91 113.19 1hqi h THR 52 Ca 0.54 -1.18 0.20 0.00 0.77 0.00 0.00 66.41 66.74 1hqi h THR 52 Cb 0.90 1.92 -0.03 0.00 -1.74 0.00 0.00 68.15 69.20 1hqi h THR 52 CO -0.43 0.34 0.67 0.58 0.37 0.00 0.00 175.52 177.05 1hqi h VAL 53 N -0.17 0.32 -0.04 3.16 2.07 -1.04 0.82 116.25 121.36 1hqi h VAL 53 Ca 0.02 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.38 1hqi h VAL 53 Cb 0.57 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1hqi h VAL 53 CO 0.02 0.00 -0.60 -0.08 0.02 0.00 0.00 177.57 176.93 1hqi h GLU 54 N 0.00 0.48 -0.19 1.57 4.81 -0.58 -2.21 114.58 118.46 1hqi h GLU 54 Ca 0.33 -0.46 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1hqi h GLU 54 Cb 1.68 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 31.13 1hqi h GLU 54 CO -0.00 1.10 -0.07 1.49 -0.73 0.00 0.00 179.01 180.80 1hqi h GLU 55 N 0.03 -0.03 -0.36 1.92 4.81 0.10 0.35 114.58 121.40 1hqi h GLU 55 Ca -0.06 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1hqi h GLU 55 Cb 1.28 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 1hqi h GLU 55 CO 0.12 -0.02 0.24 -0.97 -0.73 0.00 0.00 179.01 177.65 1hqi h ASN 56 N -0.03 0.40 0.05 1.04 -1.24 -1.34 -1.40 115.58 113.05 1hqi h ASN 56 Ca 0.10 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.11 1hqi h ASN 56 Cb 0.18 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1hqi h ASN 56 CO -0.21 0.29 -0.11 0.25 -1.29 0.00 0.00 177.43 176.35 1hqi h LEU 57 N 0.47 -0.31 -0.86 0.34 5.85 -0.29 2.20 115.31 122.70 1hqi h LEU 57 Ca 0.14 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1hqi h LEU 57 Cb -0.02 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1hqi h LEU 57 CO -0.03 -0.17 0.00 0.61 -0.34 0.00 0.00 178.44 178.51 1hqi n GLY 58 N -1.24 -1.21 0.60 3.75 0.00 -0.80 -1.59 105.19 104.70 1hqi n GLY 58 Ca -0.06 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1hqi n GLY 58 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1hqi n ARG 59 N -2.27 2.73 0.28 1.61 0.00 0.52 -4.56 116.66 114.98 1hqi n ARG 59 Ca 0.01 -2.37 0.18 0.00 -0.00 0.00 0.00 57.85 55.67 1hqi n ARG 59 Cb 0.19 -1.50 0.81 0.00 0.00 0.00 0.00 32.46 31.97 1hqi n ARG 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1hqi h ALA 60 N 1.46 1.00 -0.47 5.13 0.00 0.45 -2.62 119.26 124.21 1hqi h ALA 60 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1hqi h ALA 60 Cb 1.03 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 1hqi h ALA 60 CO 0.09 0.00 0.37 1.87 0.00 0.00 0.00 179.25 181.58 1hqi n TRP 61 N -2.99 1.49 0.14 0.00 -0.00 -1.26 -3.99 117.44 110.83 1hqi n TRP 61 Ca -0.00 -1.60 0.09 0.00 -0.00 0.00 0.00 57.50 55.99 1hqi n TRP 61 Cb 0.23 -0.79 0.18 0.00 -0.00 0.00 0.00 31.31 30.93 1hqi n TRP 61 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1hqi n ASP 62 N 0.08 3.09 -0.34 5.87 2.03 -0.99 -4.52 116.55 121.77 1hqi n ASP 62 Ca 0.29 -1.90 0.10 0.00 0.52 0.00 0.00 54.79 53.80 1hqi n ASP 62 Cb 0.79 -0.22 0.28 0.00 -0.72 0.00 0.00 41.12 41.24 1hqi n ASP 62 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1hqi h VAL 63 N 3.39 0.76 -0.95 5.18 2.07 -1.85 0.16 116.25 125.01 1hqi h VAL 63 Ca 0.00 -0.27 0.16 0.00 0.82 0.00 0.00 66.70 67.41 1hqi h VAL 63 Cb 0.82 -0.09 -0.10 0.00 -1.52 0.00 0.00 31.29 30.41 1hqi h VAL 63 CO 0.00 0.14 0.55 1.56 0.02 0.00 0.00 177.57 179.85 1hqi h GLN 64 N 0.78 0.75 0.00 1.57 7.50 -1.94 0.41 115.11 124.18 1hqi h GLN 64 Ca 0.53 -0.05 -0.11 0.00 0.50 0.00 0.00 58.65 59.52 1hqi h GLN 64 Cb 0.75 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 28.09 1hqi h GLN 64 CO -0.35 0.50 -0.55 0.93 -1.50 0.00 0.00 178.83 177.86 1hqi h GLU 65 N 0.77 0.00 0.00 1.46 3.07 -1.05 -2.52 114.58 116.31 1hqi h GLU 65 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1hqi h GLU 65 Cb 0.70 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1hqi h GLU 65 CO -0.34 0.55 0.00 -1.33 -1.40 0.00 0.00 179.01 176.48 1hqi n MET 66 N -3.66 0.09 0.07 2.33 2.81 0.13 -0.93 117.12 117.96 1hqi n MET 66 Ca -0.01 0.27 -0.08 0.00 -1.81 0.00 0.00 57.70 56.08 1hqi n MET 66 Cb 0.60 -1.66 -0.05 0.00 -0.71 0.00 0.00 33.22 31.40 1hqi n MET 66 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1hqi h LEU 67 N 0.00 -0.22 0.04 4.03 -0.00 -0.82 -3.40 115.31 114.94 1hqi h LEU 67 Ca 0.00 -0.21 -0.29 0.00 -0.00 0.00 0.00 57.88 57.38 1hqi h LEU 67 Cb 0.37 0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.05 1hqi h LEU 67 CO 0.00 0.31 -1.58 0.55 -0.00 0.00 0.00 178.44 177.72 1hqi n VAL 68 N -4.94 1.62 -4.03 1.22 3.14 -1.22 -4.91 118.33 109.21 1hqi n VAL 68 Ca -0.06 -0.26 -0.32 0.00 -2.96 0.00 0.00 64.34 60.73 1hqi n VAL 68 Cb 0.21 -1.92 -0.06 0.00 -1.06 0.00 0.00 33.84 31.01 1hqi n VAL 68 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1hqi s ASP 69 N -6.95 5.90 0.36 6.55 1.47 -0.11 -4.88 116.67 119.02 1hqi s ASP 69 Ca -0.27 0.19 0.06 0.00 1.18 0.00 0.00 52.55 53.70 1hqi s ASP 69 Cb 0.07 -1.73 0.06 0.00 -0.34 0.00 0.00 42.92 40.97 1hqi s ASP 69 CO 0.65 0.25 0.49 0.52 0.68 0.00 0.00 175.17 177.75 1hqi n VAL 70 N 0.93 0.00 0.00 2.11 0.31 -1.01 -3.40 118.33 117.27 1hqi n VAL 70 Ca -0.11 -1.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.00 1hqi n VAL 70 Cb 0.52 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 1hqi n VAL 70 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1hqi n ILE 71 N -1.77 0.00 0.00 2.52 -5.35 -1.20 -2.41 119.36 111.15 1hqi n ILE 71 Ca 0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 1hqi n ILE 71 Cb 0.38 -0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 1hqi n ILE 71 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1hqi n THR 72 N -1.46 0.00 0.00 7.28 -2.24 0.86 -3.98 114.28 114.74 1hqi n THR 72 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1hqi n THR 72 Cb 0.10 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1hqi n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hqi n ILE 73 N 3.60 0.00 0.00 2.28 0.13 -1.25 -3.17 119.36 120.94 1hqi n ILE 73 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1hqi n ILE 73 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1hqi n ILE 73 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1hqi n GLY 74 N 0.00 -0.96 2.05 4.50 0.00 1.21 -4.62 105.19 107.38 1hqi n GLY 74 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1hqi n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqi n GLY 75 N 0.00 -1.83 0.00 -0.02 0.00 -1.26 -0.34 105.19 101.74 1hqi n GLY 75 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1hqi n GLY 75 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hqi n ASN 76 N -2.92 0.00 0.00 1.61 4.05 -1.22 -4.93 115.26 111.86 1hqi n ASN 76 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1hqi n ASN 76 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1hqi n ASN 76 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 177.26 174.76 1hqi n VAL 77 N 0.00 0.00 -4.36 3.44 3.14 -1.26 -4.90 118.33 114.39 1hqi n VAL 77 Ca 0.00 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 1hqi n VAL 77 Cb 0.00 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 32.67 1hqi n VAL 77 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1hqi s ASP 78 N 0.00 5.07 0.22 6.55 1.01 -1.01 -5.03 116.67 123.48 1hqi s ASP 78 Ca 0.00 0.02 0.11 0.00 0.71 0.00 0.00 52.55 53.39 1hqi s ASP 78 Cb 0.00 -1.63 -0.05 0.00 1.01 0.00 0.00 42.92 42.26 1hqi s ASP 78 CO 0.00 0.27 -0.18 -1.83 0.21 0.00 0.00 175.17 173.64 1hqi s GLU 79 N -0.24 1.72 0.00 8.23 -1.05 -1.26 -2.28 118.70 123.82 1hqi s GLU 79 Ca 0.05 -1.54 0.00 0.00 -0.15 0.00 0.00 54.97 53.33 1hqi s GLU 79 Cb -0.12 -1.91 0.00 0.00 -0.44 0.00 0.00 34.13 31.66 1hqi s GLU 79 CO 0.02 0.38 0.00 -0.25 0.95 0.00 0.00 175.26 176.37 1hqi n ASP 80 N -0.11 0.00 0.00 0.83 8.00 -1.26 -4.99 116.55 119.02 1hqi n ASP 80 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1hqi n ASP 80 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1hqi n ASP 80 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1hqi n ASP 81 N 0.00 0.00 0.00 -2.24 9.92 -1.26 -4.90 116.55 118.07 1hqi n ASP 81 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1hqi n ASP 81 Cb 0.00 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 1hqi n ASP 81 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1hqi n ASP 82 N -2.41 0.27 -1.98 -2.24 9.92 -1.26 -5.05 116.55 113.79 1hqi n ASP 82 Ca 0.00 -0.60 0.00 0.00 -0.53 0.00 0.00 54.79 53.66 1hqi n ASP 82 Cb 0.00 0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 1hqi n ASP 82 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1hqi n ARG 83 N -0.47 0.60 -3.66 -1.24 3.00 -1.26 -4.58 116.66 109.05 1hqi n ARG 83 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 57.78 1hqi n ARG 83 Cb 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.41 1hqi n ARG 83 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 1hqi s PHE 84 N 0.13 -0.99 -0.01 -1.55 2.19 -0.97 -4.10 117.98 112.67 1hqi s PHE 84 Ca 0.00 1.83 0.03 0.00 0.33 0.00 0.00 56.93 59.12 1hqi s PHE 84 Cb 0.00 0.50 -0.01 0.00 -1.31 0.00 0.00 43.02 42.21 1hqi s PHE 84 CO 0.00 -0.54 -0.09 0.54 1.83 0.00 0.00 175.22 176.96 1hqi s VAL 85 N 2.48 0.73 -0.13 3.12 0.11 -0.96 -0.70 120.40 125.05 1hqi s VAL 85 Ca -0.05 -0.38 -0.10 0.00 -2.93 0.00 0.00 61.98 58.52 1hqi s VAL 85 Cb -0.11 -0.62 0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1hqi s VAL 85 CO -0.16 0.21 0.34 -0.22 -3.33 0.00 0.00 175.10 171.94 1hqi s LEU 86 N -0.14 0.52 0.00 2.54 1.98 -0.87 -2.39 118.68 120.32 1hqi s LEU 86 Ca 0.02 0.70 0.00 0.00 -2.89 0.00 0.00 54.13 51.96 1hqi s LEU 86 Cb -0.04 1.13 0.00 0.00 0.66 0.00 0.00 46.19 47.94 1hqi s LEU 86 CO -0.00 -0.14 0.00 -0.62 -1.89 0.00 0.00 176.35 173.70 1hqi n GLU 87 N 3.34 3.62 0.00 1.98 4.71 -1.26 0.03 120.64 133.05 1hqi n GLU 87 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.98 1hqi n GLU 87 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.00 1hqi n GLU 87 CO 0.00 0.00 0.00 1.87 0.09 0.00 0.00 177.13 179.09 1hqi n TRP 88 N 0.00 0.00 0.00 -0.32 -0.00 -0.92 -4.24 117.44 111.96 1hqi n TRP 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1hqi n TRP 88 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1hqi n TRP 88 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1hqi n LYS 89 N 0.00 0.00 0.00 5.87 -0.00 -1.26 -3.41 118.16 119.36 1hqi n LYS 89 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.46 1hqi n LYS 89 Cb 0.00 -0.46 0.76 0.00 -0.00 0.00 0.00 35.03 35.34 1hqi n LYS 89 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69