#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 -1.15 -3.15 7.83 2.88 -1.26 -4.91 113.62 113.86 1hqi n SER 2 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1hqi n SER 2 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1hqi n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1hqi s SER 3 N -4.00 -0.60 0.15 -3.46 0.01 -1.26 -5.05 113.70 99.48 1hqi s SER 3 Ca 0.00 0.33 -0.19 0.00 1.31 0.00 0.00 55.95 57.40 1hqi s SER 3 Cb 0.00 1.49 0.05 0.00 0.21 0.00 0.00 66.02 67.77 1hqi s SER 3 CO 0.00 -0.11 0.50 -1.48 0.41 0.00 0.00 173.24 172.56 1hqi s LEU 4 N 2.94 -0.05 0.43 2.44 -0.00 -1.24 -2.79 118.68 120.41 1hqi s LEU 4 Ca 0.05 -0.21 0.07 0.00 -0.00 0.00 0.00 54.13 54.04 1hqi s LEU 4 Cb -0.10 2.20 -0.04 0.00 -0.00 0.00 0.00 46.19 48.24 1hqi s LEU 4 CO -0.14 -0.93 0.17 -0.69 -0.00 0.00 0.00 176.35 174.76 1hqi s VAL 5 N -3.79 2.13 -0.11 1.48 1.01 -1.14 -4.17 120.40 115.82 1hqi s VAL 5 Ca 0.03 -1.74 -0.09 0.00 0.00 0.00 0.00 61.98 60.18 1hqi s VAL 5 Cb 0.00 -2.86 0.03 0.00 0.00 0.00 0.00 36.38 33.55 1hqi s VAL 5 CO -0.11 0.00 0.28 -0.47 0.00 0.00 0.00 175.10 174.80 1hqi s TYR 6 N -2.65 -0.32 0.13 5.22 5.04 -0.98 -1.18 117.35 122.61 1hqi s TYR 6 Ca 0.37 0.77 -0.24 0.00 -2.44 0.00 0.00 57.07 55.53 1hqi s TYR 6 Cb 0.04 0.10 0.07 0.00 0.35 0.00 0.00 41.96 42.53 1hqi s TYR 6 CO 0.20 -0.16 0.63 0.96 -1.34 0.00 0.00 175.55 175.84 1hqi s ILE 7 N 0.31 0.00 0.09 3.14 -4.36 -0.39 0.36 121.20 120.35 1hqi s ILE 7 Ca -0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 60.65 60.11 1hqi s ILE 7 Cb -0.03 -1.00 0.08 0.00 1.25 0.00 0.00 42.46 42.76 1hqi s ILE 7 CO -0.01 0.00 0.88 0.00 0.24 0.00 0.00 174.94 176.05 1hqi s ALA 8 N -3.52 -1.70 0.14 2.27 0.00 -0.48 -1.39 121.76 117.09 1hqi s ALA 8 Ca 0.01 0.52 -0.11 0.00 0.00 0.00 0.00 51.96 52.38 1hqi s ALA 8 Cb -0.01 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1hqi s ALA 8 CO -0.11 -0.86 0.30 -0.06 0.00 0.00 0.00 175.76 175.03 1hqi s PHE 9 N -3.30 0.19 -0.60 0.00 0.40 -0.41 0.22 117.98 114.48 1hqi s PHE 9 Ca 0.08 -0.57 0.04 0.00 -0.60 0.00 0.00 56.93 55.89 1hqi s PHE 9 Cb -0.01 0.04 0.16 0.00 0.51 0.00 0.00 43.02 43.72 1hqi s PHE 9 CO -0.04 -0.70 0.42 -1.14 0.70 0.00 0.00 175.22 174.46 1hqi s GLN 10 N -3.91 1.95 0.37 0.44 -0.44 -0.82 -2.22 119.66 115.03 1hqi s GLN 10 Ca 0.11 -2.88 0.08 0.00 -2.50 0.00 0.00 55.36 50.16 1hqi s GLN 10 Cb 0.03 -2.83 -0.02 0.00 -1.64 0.00 0.00 33.01 28.55 1hqi s GLN 10 CO -0.05 -1.29 0.33 0.16 0.50 0.00 0.00 175.29 174.94 1hqi s ASP 11 N -0.86 5.19 0.00 6.67 1.47 -1.26 -2.20 116.67 125.69 1hqi s ASP 11 Ca 0.26 -0.60 0.21 0.00 1.18 0.00 0.00 52.55 53.60 1hqi s ASP 11 Cb -0.06 -0.80 0.41 0.00 -0.34 0.00 0.00 42.92 42.13 1hqi s ASP 11 CO -0.15 -0.48 1.36 -3.20 0.68 0.00 0.00 175.17 173.38 1hqi n ASN 12 N -1.45 3.35 -4.57 2.11 4.05 -1.26 -4.87 115.26 112.63 1hqi n ASN 12 Ca 0.01 -1.95 -0.42 0.00 0.45 0.00 0.00 54.58 52.67 1hqi n ASN 12 Cb 0.61 -0.26 -0.03 0.00 1.23 0.00 0.00 39.78 41.33 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 -1.32 6.32 0.00 1.20 1.01 -1.26 -4.82 116.67 117.80 1hqi s ASP 13 Ca 0.36 -0.07 0.09 0.00 0.71 0.00 0.00 52.55 53.65 1hqi s ASP 13 Cb 0.21 -2.56 0.41 0.00 1.01 0.00 0.00 42.92 41.99 1hqi s ASP 13 CO 0.29 -1.63 1.26 -3.20 0.21 0.00 0.00 175.17 172.10 1hqi n ASN 14 N 8.88 0.00 -0.35 0.27 2.85 -1.26 -2.24 115.26 123.41 1hqi n ASN 14 Ca 0.07 0.40 -0.01 0.00 -0.11 0.00 0.00 54.58 54.94 1hqi n ASN 14 Cb 0.49 -0.44 0.12 0.00 1.24 0.00 0.00 39.78 41.19 1hqi n ASN 14 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1hqi h ALA 15 N 2.35 1.24 -0.44 5.20 0.00 -2.00 -0.36 119.26 125.25 1hqi h ALA 15 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1hqi h ALA 15 Cb 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1hqi h ALA 15 CO 0.00 0.51 -0.03 -0.09 0.00 0.00 0.00 179.25 179.63 1hqi h ARG 16 N 1.21 0.73 -0.44 0.00 2.43 -1.87 -2.64 114.38 113.80 1hqi h ARG 16 Ca 0.37 -0.20 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1hqi h ARG 16 Cb -0.02 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1hqi h ARG 16 CO -0.11 0.77 0.19 -0.92 -1.51 0.00 0.00 179.97 178.38 1hqi h TYR 17 N 0.68 0.34 0.41 2.20 5.03 -1.21 0.16 116.97 124.59 1hqi h TYR 17 Ca 0.13 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 1hqi h TYR 17 Cb 0.47 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 1hqi h TYR 17 CO 0.02 0.15 -0.39 0.28 -1.32 0.00 0.00 178.16 176.91 1hqi h VAL 18 N 0.39 0.21 -0.07 1.81 2.07 -1.07 0.24 116.25 119.82 1hqi h VAL 18 Ca 0.20 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.74 1hqi h VAL 18 Cb 0.15 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1hqi h VAL 18 CO -0.17 0.00 0.24 0.58 0.02 0.00 0.00 177.57 178.24 1hqi h VAL 19 N -0.82 0.13 -0.04 2.57 2.07 -1.19 0.16 116.25 119.13 1hqi h VAL 19 Ca -0.04 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.25 1hqi h VAL 19 Cb 0.72 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1hqi h VAL 19 CO -0.05 0.00 -0.91 -0.08 0.02 0.00 0.00 177.57 176.55 1hqi h GLU 20 N 0.00 0.56 0.00 1.57 4.81 0.24 -1.95 114.58 119.81 1hqi h GLU 20 Ca 0.04 -0.55 -0.10 0.00 -0.13 0.00 0.00 59.36 58.61 1hqi h GLU 20 Cb 0.51 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1hqi h GLU 20 CO -0.00 1.18 -0.47 0.00 -0.73 0.00 0.00 179.01 178.98 1hqi h ALA 21 N 0.64 1.02 0.05 2.92 0.00 0.74 -2.52 119.26 122.12 1hqi h ALA 21 Ca -0.08 -0.43 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 1hqi h ALA 21 Cb 1.54 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.28 1hqi h ALA 21 CO 0.17 0.59 -1.02 0.82 0.00 0.00 0.00 179.25 179.81 1hqi h ILE 22 N 0.00 1.32 -0.36 0.00 1.08 -1.37 -0.93 117.51 117.25 1hqi h ILE 22 Ca -0.00 -2.31 0.00 0.00 -0.39 0.00 0.00 64.86 62.16 1hqi h ILE 22 Cb 0.95 2.59 -0.02 0.00 -3.07 0.00 0.00 36.82 37.27 1hqi h ILE 22 CO 0.06 0.70 0.23 -0.29 -0.69 0.00 0.00 178.15 178.16 1hqi h ILE 23 N 0.21 1.11 -0.11 -0.67 2.10 -1.26 -1.18 117.51 117.70 1hqi h ILE 23 Ca -0.14 -0.23 -0.09 0.00 1.08 0.00 0.00 64.86 65.48 1hqi h ILE 23 Cb 1.70 0.60 -0.01 0.00 -1.09 0.00 0.00 36.82 38.02 1hqi h ILE 23 CO 0.20 0.11 -0.33 1.56 -1.08 0.00 0.00 178.15 178.60 1hqi h GLN 24 N 0.48 0.22 -1.08 2.19 4.20 -1.50 -1.67 115.11 117.95 1hqi h GLN 24 Ca 0.13 -0.09 0.31 0.00 0.06 0.00 0.00 58.65 59.07 1hqi h GLN 24 Cb -0.03 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 1hqi h GLN 24 CO -0.03 0.54 0.78 0.22 -0.67 0.00 0.00 178.83 179.67 1hqi h ASP 25 N 0.19 0.00 -3.62 1.46 3.58 0.12 -3.38 116.42 114.77 1hqi h ASP 25 Ca 0.02 0.00 -0.51 0.00 0.42 0.00 0.00 57.03 56.97 1hqi h ASP 25 Cb 0.69 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 1hqi h ASP 25 CO 0.05 0.00 0.37 0.20 -2.88 0.00 0.00 179.24 176.98 1hqi s ASN 26 N -5.33 7.53 -0.15 2.28 0.02 -0.63 -4.92 114.94 113.73 1hqi s ASN 26 Ca -0.05 1.86 -0.03 0.00 -1.02 0.00 0.00 52.86 53.63 1hqi s ASN 26 Cb 0.22 -2.60 -0.03 0.00 0.02 0.00 0.00 41.25 38.87 1hqi s ASN 26 CO 0.79 -0.01 2.68 -2.65 0.02 0.00 0.00 177.10 177.93 1hqi n PRO 27 N 2.35 1.76 0.00 -0.60 -0.02 -1.26 -3.86 135.00 133.37 1hqi n PRO 27 Ca 0.01 -1.09 0.00 0.00 -2.02 0.00 0.00 63.50 60.40 1hqi n PRO 27 Cb 0.48 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 1.47 -0.93 -1.79 6.00 -0.00 -1.26 -5.10 115.22 113.62 1hqi n HIS 28 Ca 0.29 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 58.07 1hqi n HIS 28 Cb 0.66 0.39 0.01 0.00 -0.12 0.00 0.00 29.99 30.93 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 -1.77 3.33 -0.11 1.57 0.00 -1.25 -4.98 121.76 118.55 1hqi s ALA 29 Ca 0.00 1.51 -0.06 0.00 0.00 0.00 0.00 51.96 53.40 1hqi s ALA 29 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1hqi s ALA 29 CO 0.00 -1.18 0.14 0.54 0.00 0.00 0.00 175.76 175.26 1hqi s VAL 30 N -1.18 5.45 0.19 0.00 0.11 -1.26 -4.78 120.40 118.94 1hqi s VAL 30 Ca 0.59 0.16 -0.13 0.00 -2.93 0.00 0.00 61.98 59.68 1hqi s VAL 30 Cb -0.45 -3.38 0.01 0.00 -1.53 0.00 0.00 36.38 31.02 1hqi s VAL 30 CO 0.59 0.60 0.41 -0.69 -3.33 0.00 0.00 175.10 172.68 1hqi s VAL 31 N -1.04 0.04 -0.44 2.04 1.01 -1.26 -4.14 120.40 116.60 1hqi s VAL 31 Ca 0.16 -1.18 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1hqi s VAL 31 Cb -0.12 -1.83 0.19 0.00 0.00 0.00 0.00 36.38 34.62 1hqi s VAL 31 CO 0.05 -0.17 0.83 -1.10 0.00 0.00 0.00 175.10 174.71 1hqi s GLN 32 N -3.95 0.76 0.01 2.72 -0.21 -1.26 -5.04 119.66 112.68 1hqi s GLN 32 Ca 0.16 -0.65 0.07 0.00 0.02 0.00 0.00 55.36 54.95 1hqi s GLN 32 Cb 0.01 -0.01 -0.03 0.00 1.00 0.00 0.00 33.01 33.98 1hqi s GLN 32 CO 0.01 -0.96 -0.21 -3.38 -2.12 0.00 0.00 175.29 168.63 1hqi s HIS 33 N 1.14 2.49 0.41 0.91 -3.43 -1.26 -4.43 115.29 111.12 1hqi s HIS 33 Ca 0.25 -0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.20 1hqi s HIS 33 Cb 0.03 -1.50 0.00 0.00 -1.43 0.00 0.00 32.58 29.68 1hqi s HIS 33 CO -0.07 0.14 0.00 0.72 -2.00 0.00 0.00 174.74 173.53 1hqi n HIS 34 N 1.97 -4.43 0.00 0.38 8.25 -1.26 -5.10 115.22 115.03 1hqi n HIS 34 Ca -0.16 1.41 0.00 0.00 -0.26 0.00 0.00 57.72 58.70 1hqi n HIS 34 Cb 0.52 3.56 0.00 0.00 1.12 0.00 0.00 29.99 35.19 1hqi n HIS 34 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1hqi n PRO 35 N -3.33 1.58 0.00 -0.41 -0.04 -1.26 -4.86 135.00 126.68 1hqi n PRO 35 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1hqi n PRO 35 Cb 0.00 0.00 0.66 0.00 -0.04 0.00 0.00 33.50 34.12 1hqi n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hqi n ALA 36 N -3.00 2.71 -2.02 0.55 0.00 -1.26 -4.85 120.51 112.64 1hqi n ALA 36 Ca 0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 53.44 52.95 1hqi n ALA 36 Cb 0.00 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.13 1hqi n ALA 36 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1hqi s MET 37 N -2.40 2.54 -0.10 0.00 0.00 -1.26 -4.85 119.30 113.23 1hqi s MET 37 Ca 0.31 -0.45 -0.03 0.00 0.00 0.00 0.00 55.69 55.52 1hqi s MET 37 Cb 0.20 -2.36 0.04 0.00 0.00 0.00 0.00 34.83 32.72 1hqi s MET 37 CO 0.45 -0.84 0.06 -1.50 0.00 0.00 0.00 175.02 173.19 1hqi s ILE 38 N -2.94 0.07 0.29 10.11 2.07 -0.94 -4.45 121.20 125.41 1hqi s ILE 38 Ca 0.57 0.07 0.04 0.00 -1.41 0.00 0.00 60.65 59.91 1hqi s ILE 38 Cb -0.10 -0.46 -0.06 0.00 0.13 0.00 0.00 42.46 41.97 1hqi s ILE 38 CO 0.41 0.01 0.04 0.00 -1.91 0.00 0.00 174.94 173.49 1hqi s ARG 39 N 2.08 1.54 0.10 3.50 1.70 -1.26 -1.29 118.95 125.32 1hqi s ARG 39 Ca 0.03 -1.83 -0.24 0.00 -0.47 0.00 0.00 55.73 53.23 1hqi s ARG 39 Cb -0.14 -0.73 0.06 0.00 -0.57 0.00 0.00 34.95 33.57 1hqi s ARG 39 CO -0.06 -0.17 0.59 0.42 -1.08 0.00 0.00 175.30 175.00 1hqi s ILE 40 N -3.38 0.01 0.31 4.99 1.09 -0.48 -4.16 121.20 119.58 1hqi s ILE 40 Ca 0.35 -0.08 0.03 0.00 -1.10 0.00 0.00 60.65 59.85 1hqi s ILE 40 Cb 0.08 -1.01 -0.01 0.00 -1.06 0.00 0.00 42.46 40.45 1hqi s ILE 40 CO 0.13 -0.04 0.12 -1.84 -0.10 0.00 0.00 174.94 173.21 1hqi n GLU 41 N -0.02 0.62 0.00 2.79 0.28 -1.26 -1.26 120.64 121.79 1hqi n GLU 41 Ca -0.17 -2.67 0.00 0.00 -0.16 0.00 0.00 57.16 54.16 1hqi n GLU 41 Cb 0.63 1.53 0.00 0.00 1.43 0.00 0.00 31.44 35.02 1hqi n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1hqi n ALA 42 N -1.47 0.00 -2.15 -1.84 0.00 -0.33 -4.77 120.51 109.96 1hqi n ALA 42 Ca -0.12 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.36 1hqi n ALA 42 Cb 0.47 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 0.33 0.00 0.00 -0.58 -1.26 -2.87 120.64 116.26 1hqi n GLU 43 Ca 0.00 -2.00 0.00 0.00 -0.42 0.00 0.00 57.16 54.74 1hqi n GLU 43 Cb 0.00 -0.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.40 1hqi n GLU 43 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1hqi n LYS 44 N 0.00 0.00 -3.91 3.49 4.81 -1.12 -3.62 118.16 117.82 1hqi n LYS 44 Ca 0.07 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.22 1hqi n LYS 44 Cb 0.94 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.83 1hqi n LYS 44 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1hqi s ARG 45 N 0.00 1.52 -0.00 1.64 0.52 -1.26 0.34 118.95 121.71 1hqi s ARG 45 Ca 0.00 -0.69 -0.02 0.00 -0.52 0.00 0.00 55.73 54.50 1hqi s ARG 45 Cb 0.00 -2.25 -0.00 0.00 0.52 0.00 0.00 34.95 33.22 1hqi s ARG 45 CO 0.00 -0.50 0.03 -0.51 0.02 0.00 0.00 175.30 174.34 1hqi s LEU 46 N 1.55 1.94 -0.20 2.53 1.43 0.35 -4.93 118.68 121.35 1hqi s LEU 46 Ca -0.02 -0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 1hqi s LEU 46 Cb -0.17 0.19 0.05 0.00 0.03 0.00 0.00 46.19 46.30 1hqi s LEU 46 CO -0.07 -0.15 0.52 -0.70 0.23 0.00 0.00 176.35 176.18 1hqi s GLU 47 N -0.64 0.61 -0.02 1.70 2.12 -1.26 -1.83 118.70 119.38 1hqi s GLU 47 Ca -0.07 0.73 -0.04 0.00 0.36 0.00 0.00 54.97 55.95 1hqi s GLU 47 Cb -0.04 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.64 1hqi s GLU 47 CO -0.00 -0.08 0.09 0.42 -0.54 0.00 0.00 175.26 175.16 1hqi s ILE 48 N 0.32 0.04 0.00 -3.70 1.09 -0.44 -4.98 121.20 113.53 1hqi s ILE 48 Ca -0.00 -0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.26 1hqi s ILE 48 Cb -0.04 -0.24 0.00 0.00 -1.06 0.00 0.00 42.46 41.13 1hqi s ILE 48 CO 0.00 -0.16 0.00 -2.11 -0.10 0.00 0.00 174.94 172.57 1hqi n ARG 49 N 2.45 0.00 0.18 2.79 1.85 -1.26 -1.96 116.66 120.71 1hqi n ARG 49 Ca -0.16 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.79 1hqi n ARG 49 Cb 0.58 0.00 0.55 0.00 -1.05 0.00 0.00 32.46 32.53 1hqi n ARG 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1hqi h ARG 50 N 0.00 0.00 -0.51 2.89 2.47 -1.95 -2.20 114.38 115.07 1hqi h ARG 50 Ca 0.00 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 58.87 1hqi h ARG 50 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 1hqi h ARG 50 CO 0.00 0.00 0.64 1.49 0.56 0.00 0.00 179.97 182.66 1hqi h GLU 51 N 0.00 0.00 -0.23 0.04 4.57 -1.96 0.39 114.58 117.39 1hqi h GLU 51 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1hqi h GLU 51 Cb 0.24 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1hqi h GLU 51 CO 0.00 0.00 -0.01 1.15 -1.18 0.00 0.00 179.01 178.97 1hqi h THR 52 N 0.00 1.26 -1.27 0.32 2.02 -1.66 -1.79 112.91 111.79 1hqi h THR 52 Ca 0.24 -0.92 0.37 0.00 0.77 0.00 0.00 66.41 66.87 1hqi h THR 52 Cb 1.52 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 69.28 1hqi h THR 52 CO -0.00 0.29 0.91 0.58 0.37 0.00 0.00 175.52 177.66 1hqi h VAL 53 N 0.18 0.37 -0.11 3.16 2.07 -0.46 1.30 116.25 122.76 1hqi h VAL 53 Ca 0.06 -0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 1hqi h VAL 53 Cb 0.42 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1hqi h VAL 53 CO 0.01 0.00 -0.15 -0.08 0.02 0.00 0.00 177.57 177.38 1hqi h GLU 54 N 0.01 0.29 0.08 1.57 4.57 -1.33 -2.12 114.58 117.66 1hqi h GLU 54 Ca 0.61 -0.17 0.01 0.00 -1.18 0.00 0.00 59.36 58.63 1hqi h GLU 54 Cb 2.40 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 30.98 1hqi h GLU 54 CO -0.02 0.73 -0.34 0.93 -1.18 0.00 0.00 179.01 179.13 1hqi h GLU 55 N -0.12 -0.47 -1.36 1.92 5.08 0.19 0.33 114.58 120.15 1hqi h GLU 55 Ca 0.01 0.03 0.41 0.00 -1.00 0.00 0.00 59.36 58.82 1hqi h GLU 55 Cb 0.69 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.95 1hqi h GLU 55 CO 0.03 -0.31 0.92 -0.97 -1.00 0.00 0.00 179.01 177.68 1hqi h ASN 56 N -0.48 0.20 0.09 1.42 -0.73 -1.23 0.44 115.58 115.28 1hqi h ASN 56 Ca -0.00 0.08 0.01 0.00 1.87 0.00 0.00 56.30 58.26 1hqi h ASN 56 Cb 0.49 0.06 -0.03 0.00 0.27 0.00 0.00 38.32 39.11 1hqi h ASN 56 CO -0.19 -0.07 -0.39 0.25 -0.37 0.00 0.00 177.43 176.66 1hqi h LEU 57 N 0.11 -1.17 -1.96 0.34 5.85 0.37 2.22 115.31 121.07 1hqi h LEU 57 Ca 0.76 0.12 0.10 0.00 0.84 0.00 0.00 57.88 59.70 1hqi h LEU 57 Cb 2.53 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 43.98 1hqi h LEU 57 CO -0.26 -0.41 0.44 1.23 -0.34 0.00 0.00 178.44 179.10 1hqi h GLY 58 N -0.55 0.00 0.00 3.75 0.00 0.07 -3.43 103.07 102.91 1hqi h GLY 58 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hqi h GLY 58 CO -0.21 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.20 1hqi n ARG 59 N -3.57 0.00 -2.56 4.80 3.00 0.75 -4.67 116.66 114.41 1hqi n ARG 59 Ca 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.87 1hqi n ARG 59 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.02 1hqi n ARG 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1hqi n ALA 60 N -0.03 -3.61 0.00 5.13 0.00 -0.26 -3.73 120.51 118.01 1hqi n ALA 60 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 53.44 55.10 1hqi n ALA 60 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.20 1hqi n ALA 60 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1hqi n TRP 61 N 1.26 0.00 -2.20 0.00 -0.00 -1.26 -4.64 117.44 110.60 1hqi n TRP 61 Ca -0.26 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 56.85 1hqi n TRP 61 Cb 0.40 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.74 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 0.00 7.17 -0.57 5.87 2.03 -1.24 -4.67 116.55 125.13 1hqi n ASP 62 Ca 0.00 -3.78 0.06 0.00 0.52 0.00 0.00 54.79 51.58 1hqi n ASP 62 Cb 0.00 -1.04 0.17 0.00 -0.72 0.00 0.00 41.12 39.53 1hqi n ASP 62 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1hqi n VAL 63 N -0.39 0.40 -0.65 5.18 0.31 -1.26 -4.36 118.33 117.56 1hqi n VAL 63 Ca 0.50 -0.41 0.50 0.00 -0.01 0.00 0.00 64.34 64.92 1hqi n VAL 63 Cb 0.28 0.22 0.78 0.00 -0.91 0.00 0.00 33.84 34.21 1hqi n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hqi n GLN 64 N 0.40 -0.01 0.15 5.55 1.13 -1.26 0.98 117.38 124.32 1hqi n GLN 64 Ca 0.11 1.13 -0.14 0.00 -1.94 0.00 0.00 57.00 56.17 1hqi n GLN 64 Cb 0.27 -2.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.04 1hqi n GLN 64 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1hqi h GLU 65 N 0.00 -0.35 0.00 -1.09 4.81 -2.00 -2.13 114.58 113.81 1hqi h GLU 65 Ca 0.93 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 60.18 1hqi h GLU 65 Cb 3.53 0.08 0.00 0.00 0.63 0.00 0.00 28.75 32.99 1hqi h GLU 65 CO -0.14 -0.09 0.00 -1.33 -0.73 0.00 0.00 179.01 176.72 1hqi n MET 66 N -5.15 0.70 -0.08 1.92 2.81 0.27 -4.04 117.12 113.55 1hqi n MET 66 Ca -0.10 0.01 0.20 0.00 -1.81 0.00 0.00 57.70 56.00 1hqi n MET 66 Cb 0.23 -1.50 0.30 0.00 -0.71 0.00 0.00 33.22 31.54 1hqi n MET 66 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1hqi n LEU 67 N -1.06 0.00 -0.56 4.03 7.94 0.41 -1.47 117.00 126.29 1hqi n LEU 67 Ca 0.18 0.65 0.45 0.00 -1.11 0.00 0.00 56.01 56.17 1hqi n LEU 67 Cb 0.11 -0.18 0.69 0.00 0.53 0.00 0.00 43.42 44.57 1hqi n LEU 67 CO 0.15 -0.65 1.37 1.33 -1.11 0.00 0.00 177.39 178.48 1hqi n VAL 68 N -2.92 0.00 -0.58 1.96 0.24 -1.26 -4.41 118.33 111.36 1hqi n VAL 68 Ca 0.16 1.37 -0.30 0.00 -2.04 0.00 0.00 64.34 63.53 1hqi n VAL 68 Cb 1.31 -2.32 0.21 0.00 -1.47 0.00 0.00 33.84 31.57 1hqi n VAL 68 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1hqi n ASP 69 N -3.66 -1.01 -4.88 -1.34 5.68 -0.54 -4.98 116.55 105.83 1hqi n ASP 69 Ca 0.37 0.09 -0.30 0.00 -0.50 0.00 0.00 54.79 54.46 1hqi n ASP 69 Cb 1.82 -1.32 0.07 0.00 -1.14 0.00 0.00 41.12 40.54 1hqi n ASP 69 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1hqi s VAL 70 N -2.48 2.77 0.05 2.12 1.01 -0.93 -4.62 120.40 118.31 1hqi s VAL 70 Ca 0.67 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.94 1hqi s VAL 70 Cb -0.24 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1hqi s VAL 70 CO 0.63 -0.33 -0.12 0.27 0.00 0.00 0.00 175.10 175.55 1hqi s ILE 71 N -3.44 0.89 -0.15 2.22 -5.25 -1.26 -1.94 121.20 112.28 1hqi s ILE 71 Ca 0.60 -1.13 -0.15 0.00 -0.99 0.00 0.00 60.65 58.99 1hqi s ILE 71 Cb -0.11 -0.88 0.04 0.00 2.95 0.00 0.00 42.46 44.46 1hqi s ILE 71 CO 0.51 -0.22 0.43 -0.89 -1.79 0.00 0.00 174.94 172.98 1hqi s THR 72 N -1.18 0.00 0.05 8.37 2.01 0.59 -4.82 115.64 120.67 1hqi s THR 72 Ca -0.04 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1hqi s THR 72 Cb -0.09 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 1hqi s THR 72 CO 0.01 -0.01 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.25 1hqi s ILE 73 N 0.16 0.44 -0.05 1.82 -1.09 -1.26 -1.39 121.20 119.83 1hqi s ILE 73 Ca -0.01 -1.35 0.02 0.00 -2.23 0.00 0.00 60.65 57.08 1hqi s ILE 73 Cb -0.03 -0.92 0.06 0.00 -1.58 0.00 0.00 42.46 39.99 1hqi s ILE 73 CO 0.01 -0.61 0.80 0.61 -1.23 0.00 0.00 174.94 174.52 1hqi n GLY 74 N 0.94 0.39 0.00 6.18 0.00 1.11 -4.69 105.19 109.12 1hqi n GLY 74 Ca -0.19 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.24 0.69 0.00 -0.02 0.00 -1.26 -2.32 105.19 102.04 1hqi n GLY 75 Ca -0.18 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 0.00 1.61 5.15 -1.09 -3.97 115.26 116.96 1hqi n ASN 76 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1hqi n ASN 76 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1hqi n ASN 76 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1hqi n VAL 77 N 0.00 0.00 -4.53 3.44 3.14 -1.26 -4.90 118.33 114.22 1hqi n VAL 77 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 1hqi n VAL 77 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 1hqi n VAL 77 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1hqi s ASP 78 N 0.00 4.53 0.05 6.55 -4.77 -1.03 -5.07 116.67 116.94 1hqi s ASP 78 Ca 0.00 -0.20 0.06 0.00 -3.30 0.00 0.00 52.55 49.11 1hqi s ASP 78 Cb 0.00 -1.72 -0.03 0.00 -1.09 0.00 0.00 42.92 40.08 1hqi s ASP 78 CO 0.00 0.17 -0.17 -0.70 0.70 0.00 0.00 175.17 175.17 1hqi s GLU 79 N 0.36 1.09 0.00 2.11 2.12 -1.26 -2.42 118.70 120.69 1hqi s GLU 79 Ca -0.06 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.36 1hqi s GLU 79 Cb -0.15 -1.17 0.00 0.00 0.26 0.00 0.00 34.13 33.07 1hqi s GLU 79 CO 0.04 0.29 0.00 -0.40 -0.54 0.00 0.00 175.26 174.65 1hqi n ASP 80 N 1.67 0.00 -0.06 -1.70 5.68 -1.26 -5.04 116.55 115.84 1hqi n ASP 80 Ca -0.18 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 53.98 1hqi n ASP 80 Cb 0.54 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.48 1hqi n ASP 80 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1hqi n ASP 81 N 0.00 1.33 0.00 -1.12 9.92 -1.26 -4.95 116.55 120.47 1hqi n ASP 81 Ca 0.00 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 1hqi n ASP 81 Cb 0.00 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.96 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 -3.87 1.18 -3.06 -2.24 9.92 -1.26 -5.08 116.55 112.14 1hqi n ASP 82 Ca -0.23 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 53.99 1hqi n ASP 82 Cb 0.56 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 41.08 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 -2.23 -1.27 -3.60 -1.24 3.00 -1.26 -4.64 116.66 105.42 1hqi n ARG 83 Ca 0.00 -0.18 -0.14 0.00 -0.01 0.00 0.00 57.85 57.52 1hqi n ARG 83 Cb 0.23 -0.28 -0.07 0.00 0.00 0.00 0.00 32.46 32.34 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 -0.95 -0.71 -0.09 -1.55 5.36 -0.83 -4.29 117.98 114.93 1hqi s PHE 84 Ca 0.08 1.58 -0.15 0.00 -0.96 0.00 0.00 56.93 57.49 1hqi s PHE 84 Cb -0.01 0.32 0.03 0.00 -0.34 0.00 0.00 43.02 43.02 1hqi s PHE 84 CO 0.07 -0.43 0.37 0.54 -1.46 0.00 0.00 175.22 174.31 1hqi s VAL 85 N -0.12 0.02 -0.06 3.12 0.11 -1.02 -1.32 120.40 121.13 1hqi s VAL 85 Ca -0.03 -0.18 -0.04 0.00 -2.93 0.00 0.00 61.98 58.81 1hqi s VAL 85 Cb -0.03 -0.59 0.03 0.00 -1.53 0.00 0.00 36.38 34.25 1hqi s VAL 85 CO 0.03 -0.10 0.15 -0.22 -3.33 0.00 0.00 175.10 171.62 1hqi s LEU 86 N -0.44 1.01 0.00 2.54 1.98 -0.76 -2.45 118.68 120.56 1hqi s LEU 86 Ca -0.06 0.30 0.00 0.00 -2.89 0.00 0.00 54.13 51.48 1hqi s LEU 86 Cb -0.04 0.42 0.00 0.00 0.66 0.00 0.00 46.19 47.23 1hqi s LEU 86 CO 0.02 -0.11 0.00 -0.62 -1.89 0.00 0.00 176.35 173.75 1hqi n GLU 87 N 3.73 1.21 0.00 1.98 4.71 -1.26 -0.50 120.64 130.52 1hqi n GLU 87 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.94 1hqi n GLU 87 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.98 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 -0.93 -0.32 -0.00 1.04 -4.16 117.44 113.07 1hqi n TRP 88 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.58 1hqi n TRP 88 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.27 1hqi n TRP 88 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1hqi n LYS 89 N 0.00 -2.25 0.00 5.87 5.02 -1.26 -2.67 118.16 122.87 1hqi n LYS 89 Ca 0.00 1.81 0.06 0.00 -2.02 0.00 0.00 58.31 58.16 1hqi n LYS 89 Cb 0.00 -2.49 0.33 0.00 -0.02 0.00 0.00 35.03 32.85 1hqi n LYS 89 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17