#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 2.92 -1.61 3.17 2.88 -1.26 -4.83 113.62 114.88 1hqi n SER 2 Ca 0.00 -3.34 -0.01 0.00 -1.33 0.00 0.00 58.87 54.19 1hqi n SER 2 Cb 0.00 -0.61 0.08 0.00 -0.75 0.00 0.00 64.21 62.93 1hqi n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1hqi n SER 3 N 0.40 2.04 -4.55 -3.46 7.64 -1.26 -5.07 113.62 109.37 1hqi n SER 3 Ca 0.28 -2.88 -0.25 0.00 1.01 0.00 0.00 58.87 57.03 1hqi n SER 3 Cb 0.47 -0.41 -0.11 0.00 -1.01 0.00 0.00 64.21 63.15 1hqi n SER 3 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1hqi s LEU 4 N -2.38 2.65 0.00 -3.43 2.34 -1.25 0.20 118.68 116.81 1hqi s LEU 4 Ca 0.37 -1.32 0.04 0.00 0.06 0.00 0.00 54.13 53.28 1hqi s LEU 4 Cb 0.37 -0.78 -0.02 0.00 -0.56 0.00 0.00 46.19 45.21 1hqi s LEU 4 CO -0.08 -0.42 0.16 1.33 -1.06 0.00 0.00 176.35 176.28 1hqi n VAL 5 N -0.83 0.00 -3.76 1.48 0.24 -0.57 -4.79 118.33 110.10 1hqi n VAL 5 Ca -0.04 -2.09 -0.13 0.00 -2.04 0.00 0.00 64.34 60.04 1hqi n VAL 5 Cb 0.66 0.82 -0.10 0.00 -1.47 0.00 0.00 33.84 33.75 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 -2.96 -0.33 0.11 6.34 6.14 0.25 -1.75 117.35 125.15 1hqi s TYR 6 Ca 0.22 0.76 -0.25 0.00 0.64 0.00 0.00 57.07 58.45 1hqi s TYR 6 Cb 0.01 0.12 0.07 0.00 0.42 0.00 0.00 41.96 42.59 1hqi s TYR 6 CO 0.16 -0.23 0.65 0.96 0.64 0.00 0.00 175.55 177.72 1hqi s ILE 7 N -0.18 0.00 -0.14 3.14 -5.25 -0.34 0.33 121.20 118.76 1hqi s ILE 7 Ca -0.03 0.00 -0.27 0.00 -0.99 0.00 0.00 60.65 59.35 1hqi s ILE 7 Cb -0.03 -1.00 0.07 0.00 2.95 0.00 0.00 42.46 44.45 1hqi s ILE 7 CO 0.01 0.00 0.67 0.00 -1.79 0.00 0.00 174.94 173.84 1hqi s ALA 8 N -3.31 -1.71 0.04 2.27 0.00 -0.32 -1.13 121.76 117.61 1hqi s ALA 8 Ca -0.00 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1hqi s ALA 8 Cb -0.01 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 1hqi s ALA 8 CO -0.09 -0.35 0.05 1.97 0.00 0.00 0.00 175.76 177.34 1hqi n PHE 9 N 1.69 -0.38 -3.36 0.00 -1.74 -0.68 0.28 117.46 113.28 1hqi n PHE 9 Ca -0.17 -0.31 -0.14 0.00 -0.56 0.00 0.00 57.45 56.26 1hqi n PHE 9 Cb 0.56 0.06 -0.08 0.00 1.52 0.00 0.00 39.48 41.54 1hqi n PHE 9 CO 0.00 0.00 0.00 -1.14 -0.56 0.00 0.00 176.76 175.06 1hqi s GLN 10 N -2.13 0.39 -0.10 3.97 -0.44 -0.97 -1.70 119.66 118.68 1hqi s GLN 10 Ca 0.04 -0.13 -0.02 0.00 -2.50 0.00 0.00 55.36 52.76 1hqi s GLN 10 Cb 0.00 -0.54 -0.03 0.00 -1.64 0.00 0.00 33.01 30.80 1hqi s GLN 10 CO 0.03 -1.05 -0.03 0.34 0.50 0.00 0.00 175.29 175.08 1hqi s ASP 11 N 2.32 4.93 0.26 6.67 2.15 -1.26 -1.91 116.67 129.84 1hqi s ASP 11 Ca 0.10 0.01 0.07 0.00 0.43 0.00 0.00 52.55 53.17 1hqi s ASP 11 Cb -0.13 -1.48 0.33 0.00 -0.30 0.00 0.00 42.92 41.34 1hqi s ASP 11 CO -0.29 0.31 1.60 -1.13 -0.17 0.00 0.00 175.17 175.49 1hqi h ASN 12 N 5.68 0.15 -1.61 -0.34 -0.73 -1.99 -3.42 115.58 113.32 1hqi h ASN 12 Ca -0.44 -0.08 -0.55 0.00 1.87 0.00 0.00 56.30 57.10 1hqi h ASN 12 Cb 1.18 -0.04 -0.00 0.00 0.27 0.00 0.00 38.32 39.73 1hqi h ASN 12 CO 0.57 0.70 1.55 -0.67 -0.37 0.00 0.00 177.43 179.20 1hqi n ASP 13 N -3.87 2.60 0.05 1.15 -0.08 -1.26 -4.72 116.55 110.42 1hqi n ASP 13 Ca -0.02 -0.02 0.04 0.00 -1.51 0.00 0.00 54.79 53.28 1hqi n ASP 13 Cb 0.60 -1.49 0.19 0.00 2.34 0.00 0.00 41.12 42.75 1hqi n ASP 13 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1hqi n ASN 14 N 12.87 0.17 -0.09 1.67 2.85 -1.26 -1.78 115.26 129.68 1hqi n ASN 14 Ca 0.36 0.58 0.20 0.00 -0.11 0.00 0.00 54.58 55.61 1hqi n ASN 14 Cb 0.43 -0.60 0.63 0.00 1.24 0.00 0.00 39.78 41.48 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 2.03 2.43 -0.25 5.20 0.00 -1.94 0.76 119.26 127.49 1hqi h ALA 15 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1hqi h ALA 15 Cb 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1hqi h ALA 15 CO 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 179.25 178.58 1hqi h ARG 16 N 0.15 0.48 -0.68 0.00 2.47 -1.72 -2.78 114.38 112.30 1hqi h ARG 16 Ca 0.33 -0.18 0.09 0.00 -1.26 0.00 0.00 59.98 58.96 1hqi h ARG 16 Cb 1.09 -0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 29.31 1hqi h ARG 16 CO -0.05 0.69 0.31 -0.92 0.56 0.00 0.00 179.97 180.57 1hqi h TYR 17 N 0.22 0.56 0.48 3.04 5.03 -1.05 -0.04 116.97 125.21 1hqi h TYR 17 Ca 0.06 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.39 1hqi h TYR 17 Cb 0.51 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.62 1hqi h TYR 17 CO 0.05 0.19 -0.49 0.28 -1.32 0.00 0.00 178.16 176.87 1hqi h VAL 18 N 0.54 0.00 -0.24 1.81 2.07 -1.28 0.21 116.25 119.36 1hqi h VAL 18 Ca 0.34 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.93 1hqi h VAL 18 Cb 0.37 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1hqi h VAL 18 CO -0.28 0.00 0.41 0.58 0.02 0.00 0.00 177.57 178.30 1hqi h VAL 19 N -0.96 0.22 0.28 2.57 2.07 -1.15 -0.64 116.25 118.64 1hqi h VAL 19 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1hqi h VAL 19 Cb 0.84 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1hqi h VAL 19 CO -0.06 0.00 -0.13 -0.08 0.02 0.00 0.00 177.57 177.32 1hqi h GLU 20 N 0.00 -0.36 -0.83 1.57 4.57 0.13 -2.10 114.58 117.57 1hqi h GLU 20 Ca 0.12 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.47 1hqi h GLU 20 Cb 0.93 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.54 1hqi h GLU 20 CO -0.00 -0.02 0.54 0.00 -1.18 0.00 0.00 179.01 178.35 1hqi h ALA 21 N -0.19 2.02 -0.34 2.92 0.00 -0.16 -0.12 119.26 123.40 1hqi h ALA 21 Ca -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1hqi h ALA 21 Cb 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1hqi h ALA 21 CO 0.06 -0.25 0.09 0.82 0.00 0.00 0.00 179.25 179.97 1hqi h ILE 22 N 0.52 1.22 -0.54 0.00 2.04 -1.30 -1.80 117.51 117.65 1hqi h ILE 22 Ca 0.41 -0.74 0.11 0.00 1.00 0.00 0.00 64.86 65.64 1hqi h ILE 22 Cb 0.84 1.06 -0.09 0.00 -0.74 0.00 0.00 36.82 37.90 1hqi h ILE 22 CO -0.16 0.25 0.03 0.40 0.00 0.00 0.00 178.15 178.67 1hqi h ILE 23 N 0.39 0.60 -0.10 -0.67 2.04 -0.32 0.48 117.51 119.93 1hqi h ILE 23 Ca 0.11 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 1hqi h ILE 23 Cb 0.29 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1hqi h ILE 23 CO 0.00 0.03 -0.11 -0.61 0.00 0.00 0.00 178.15 177.46 1hqi h GLN 24 N 0.15 0.14 -0.99 2.37 4.15 -1.23 -0.88 115.11 118.82 1hqi h GLN 24 Ca 0.28 -0.03 0.27 0.00 0.77 0.00 0.00 58.65 59.94 1hqi h GLN 24 Cb 0.42 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 1hqi h GLN 24 CO -0.43 0.26 0.68 0.22 -1.93 0.00 0.00 178.83 177.64 1hqi h ASP 25 N 0.14 0.20 -3.66 -0.69 1.82 0.84 -3.38 116.42 111.68 1hqi h ASP 25 Ca 0.03 0.03 -0.50 0.00 -0.39 0.00 0.00 57.03 56.20 1hqi h ASP 25 Cb 0.28 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 1hqi h ASP 25 CO 0.02 0.06 0.35 0.20 -1.61 0.00 0.00 179.24 178.25 1hqi s ASN 26 N -5.44 7.58 -0.17 2.28 0.01 -0.34 -4.92 114.94 113.94 1hqi s ASN 26 Ca -0.07 1.87 -0.03 0.00 -0.71 0.00 0.00 52.86 53.93 1hqi s ASN 26 Cb 0.23 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 1hqi s ASN 26 CO 0.79 0.06 2.63 -0.81 -1.51 0.00 0.00 177.10 178.26 1hqi n PRO 27 N 2.07 1.77 0.08 -0.60 -0.04 -1.26 -3.95 135.00 133.07 1hqi n PRO 27 Ca -0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1hqi n PRO 27 Cb 0.48 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1hqi n PRO 27 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1hqi n HIS 28 N 1.38 -2.38 -1.95 0.54 -0.00 -1.26 -5.09 115.22 106.46 1hqi n HIS 28 Ca 0.29 0.46 -0.41 0.00 0.46 0.00 0.00 57.72 58.53 1hqi n HIS 28 Cb 0.65 1.34 -0.01 0.00 -0.12 0.00 0.00 29.99 31.85 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 -2.00 3.55 0.22 1.57 0.00 -1.25 -5.00 121.76 118.85 1hqi s ALA 29 Ca 0.00 1.43 0.05 0.00 0.00 0.00 0.00 51.96 53.44 1hqi s ALA 29 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1hqi s ALA 29 CO 0.00 -0.86 0.31 0.54 0.00 0.00 0.00 175.76 175.75 1hqi s VAL 30 N -1.04 5.10 0.02 0.00 0.11 -1.26 -4.58 120.40 118.76 1hqi s VAL 30 Ca 0.52 -1.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.56 1hqi s VAL 30 Cb -0.43 -3.74 -0.02 0.00 -1.53 0.00 0.00 36.38 30.66 1hqi s VAL 30 CO 0.57 -0.28 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.33 1hqi s VAL 31 N -1.96 0.23 -0.30 2.04 1.01 -1.26 -4.61 120.40 115.55 1hqi s VAL 31 Ca 0.34 -0.85 0.19 0.00 0.00 0.00 0.00 61.98 61.66 1hqi s VAL 31 Cb -0.09 -0.33 0.47 0.00 0.00 0.00 0.00 36.38 36.43 1hqi s VAL 31 CO 0.28 -0.40 1.14 1.67 0.00 0.00 0.00 175.10 177.79 1hqi n GLN 32 N 1.75 1.47 -1.48 2.72 7.27 -1.04 -5.04 117.38 123.02 1hqi n GLN 32 Ca -0.22 -2.99 -0.46 0.00 0.07 0.00 0.00 57.00 53.40 1hqi n GLN 32 Cb 0.55 -1.10 -0.02 0.00 2.41 0.00 0.00 30.24 32.08 1hqi n GLN 32 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 1hqi n HIS 33 N -0.57 0.21 -3.36 3.69 1.44 -1.25 -3.49 115.22 111.89 1hqi n HIS 33 Ca 0.03 0.84 -0.22 0.00 -2.01 0.00 0.00 57.72 56.37 1hqi n HIS 33 Cb 0.82 -2.08 0.03 0.00 0.12 0.00 0.00 29.99 28.89 1hqi n HIS 33 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1hqi s HIS 34 N -1.05 1.53 0.10 -1.40 3.76 -0.22 -4.82 115.29 113.19 1hqi s HIS 34 Ca 0.62 -0.76 0.12 0.00 -0.15 0.00 0.00 55.06 54.89 1hqi s HIS 34 Cb -0.82 -2.10 0.18 0.00 1.11 0.00 0.00 32.58 30.95 1hqi s HIS 34 CO 0.58 -0.88 1.49 -1.00 -0.85 0.00 0.00 174.74 174.09 1hqi h PRO 35 N 0.41 0.00 0.00 8.40 0.14 -2.03 -3.38 132.00 135.54 1hqi h PRO 35 Ca -0.33 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.81 1hqi h PRO 35 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.43 1hqi h PRO 35 CO 0.47 0.66 -0.81 0.00 0.14 0.00 0.00 178.00 178.47 1hqi n ALA 36 N -2.33 1.82 -3.76 -0.56 0.00 -1.26 -5.08 120.51 109.34 1hqi n ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hqi n ALA 36 Cb 0.72 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.39 1hqi n ALA 36 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1hqi n MET 37 N -1.75 2.06 -3.64 0.00 2.81 -1.26 -4.98 117.12 110.36 1hqi n MET 37 Ca 0.00 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.66 1hqi n MET 37 Cb 0.40 0.00 -0.18 0.00 -0.71 0.00 0.00 33.22 32.74 1hqi n MET 37 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1hqi s ILE 38 N -0.53 -0.10 -0.02 2.02 -4.36 -0.69 -1.05 121.20 116.47 1hqi s ILE 38 Ca 0.00 0.17 0.03 0.00 -0.26 0.00 0.00 60.65 60.60 1hqi s ILE 38 Cb 0.00 -0.33 -0.03 0.00 1.25 0.00 0.00 42.46 43.34 1hqi s ILE 38 CO 0.00 -0.02 -0.09 -0.13 0.24 0.00 0.00 174.94 174.94 1hqi s ARG 39 N 2.16 2.53 0.02 0.37 0.52 -1.23 -1.68 118.95 121.64 1hqi s ARG 39 Ca 0.04 -0.71 -0.09 0.00 -0.52 0.00 0.00 55.73 54.45 1hqi s ARG 39 Cb -0.14 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 32.87 1hqi s ARG 39 CO -0.06 0.61 0.17 0.42 0.02 0.00 0.00 175.30 176.47 1hqi s ILE 40 N -0.91 0.10 0.40 1.52 -1.09 -0.28 -2.51 121.20 118.42 1hqi s ILE 40 Ca 0.15 -0.79 0.04 0.00 -2.23 0.00 0.00 60.65 57.81 1hqi s ILE 40 Cb -0.11 -0.69 -0.03 0.00 -1.58 0.00 0.00 42.46 40.05 1hqi s ILE 40 CO 0.05 -0.44 0.11 -1.83 -1.23 0.00 0.00 174.94 171.60 1hqi s GLU 41 N -1.98 1.89 0.39 2.79 -1.05 -1.26 -1.20 118.70 118.27 1hqi s GLU 41 Ca -0.10 -2.14 0.05 0.00 -0.15 0.00 0.00 54.97 52.63 1hqi s GLU 41 Cb -0.04 -0.69 -0.02 0.00 -0.44 0.00 0.00 34.13 32.94 1hqi s GLU 41 CO -0.01 -0.42 0.17 0.00 0.95 0.00 0.00 175.26 175.95 1hqi n ALA 42 N -0.88 0.60 -3.12 -0.84 0.00 -0.72 -4.73 120.51 110.82 1hqi n ALA 42 Ca -0.06 -2.02 -0.17 0.00 0.00 0.00 0.00 53.44 51.19 1hqi n ALA 42 Cb 0.65 1.42 -0.02 0.00 0.00 0.00 0.00 19.45 21.50 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 -0.85 0.99 -0.85 0.00 1.02 -1.26 -1.51 120.64 118.18 1hqi n GLU 43 Ca -0.03 -3.33 0.00 0.00 -0.02 0.00 0.00 57.16 53.78 1hqi n GLU 43 Cb 0.60 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1hqi n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1hqi n LYS 44 N 0.24 0.00 -2.22 3.49 4.76 0.52 -4.71 118.16 120.24 1hqi n LYS 44 Ca 0.23 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.64 1hqi n LYS 44 Cb 0.68 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.86 1hqi n LYS 44 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1hqi n ARG 45 N 0.00 0.06 -3.48 1.97 1.85 -1.26 -3.06 116.66 112.74 1hqi n ARG 45 Ca 0.00 -0.40 -0.13 0.00 -1.00 0.00 0.00 57.85 56.31 1hqi n ARG 45 Cb 0.00 0.34 -0.03 0.00 -1.05 0.00 0.00 32.46 31.71 1hqi n ARG 45 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1hqi s LEU 46 N 0.00 -0.45 -0.27 2.89 1.43 0.00 -2.19 118.68 120.09 1hqi s LEU 46 Ca 0.05 0.14 -0.25 0.00 -1.03 0.00 0.00 54.13 53.04 1hqi s LEU 46 Cb 0.00 2.47 0.08 0.00 0.03 0.00 0.00 46.19 48.77 1hqi s LEU 46 CO 0.03 -0.86 0.76 -0.70 0.23 0.00 0.00 176.35 175.81 1hqi s GLU 47 N -3.08 0.80 -0.17 1.70 2.12 -1.26 -2.40 118.70 116.41 1hqi s GLU 47 Ca -0.02 0.96 -0.19 0.00 0.36 0.00 0.00 54.97 56.08 1hqi s GLU 47 Cb -0.01 0.38 0.05 0.00 0.26 0.00 0.00 34.13 34.82 1hqi s GLU 47 CO -0.07 -0.10 0.52 0.96 -0.54 0.00 0.00 175.26 176.04 1hqi s ILE 48 N 0.39 0.00 0.00 -3.70 -4.36 -0.69 -4.97 121.20 107.88 1hqi s ILE 48 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 60.65 60.35 1hqi s ILE 48 Cb -0.05 -0.75 0.00 0.00 1.25 0.00 0.00 42.46 42.91 1hqi s ILE 48 CO -0.00 -0.02 0.00 -2.11 0.24 0.00 0.00 174.94 173.05 1hqi n ARG 49 N 2.52 0.00 0.00 0.37 1.85 -1.26 -1.71 116.66 118.43 1hqi n ARG 49 Ca -0.15 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.77 1hqi n ARG 49 Cb 0.56 0.00 0.33 0.00 -1.05 0.00 0.00 32.46 32.31 1hqi n ARG 49 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1hqi n ARG 50 N 0.00 0.16 0.21 2.89 0.63 -1.26 -2.77 116.66 116.52 1hqi n ARG 50 Ca 0.00 0.18 0.12 0.00 -0.92 0.00 0.00 57.85 57.22 1hqi n ARG 50 Cb 0.00 -1.50 0.62 0.00 0.45 0.00 0.00 32.46 32.03 1hqi n ARG 50 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1hqi h GLU 51 N 0.00 0.00 -0.77 -0.14 5.08 -1.95 -1.27 114.58 115.52 1hqi h GLU 51 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1hqi h GLU 51 Cb 0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1hqi h GLU 51 CO 0.00 0.00 0.50 1.15 -1.00 0.00 0.00 179.01 179.66 1hqi h THR 52 N 0.00 1.14 -1.11 1.13 2.02 -1.83 0.60 112.91 114.87 1hqi h THR 52 Ca 0.00 -0.34 0.31 0.00 0.77 0.00 0.00 66.41 67.15 1hqi h THR 52 Cb 0.29 0.07 -0.07 0.00 -1.74 0.00 0.00 68.15 66.70 1hqi h THR 52 CO 0.00 0.18 0.75 0.58 0.37 0.00 0.00 175.52 177.40 1hqi h VAL 53 N 0.99 0.46 -0.24 3.16 2.07 -1.52 0.96 116.25 122.12 1hqi h VAL 53 Ca 0.30 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.68 1hqi h VAL 53 Cb -0.03 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1hqi h VAL 53 CO -0.09 0.04 -0.12 -0.08 0.02 0.00 0.00 177.57 177.33 1hqi h GLU 54 N 0.20 0.51 -0.76 1.57 4.81 -1.05 -2.67 114.58 117.18 1hqi h GLU 54 Ca 0.59 -0.22 0.16 0.00 -0.13 0.00 0.00 59.36 59.76 1hqi h GLU 54 Cb 1.88 -0.01 -0.11 0.00 0.63 0.00 0.00 28.75 31.14 1hqi h GLU 54 CO -0.17 0.77 0.23 1.49 -0.73 0.00 0.00 179.01 180.60 1hqi h GLU 55 N 0.23 0.31 -0.72 1.92 4.22 0.12 0.74 114.58 121.41 1hqi h GLU 55 Ca 0.05 -0.02 0.11 0.00 0.08 0.00 0.00 59.36 59.58 1hqi h GLU 55 Cb 0.62 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 1hqi h GLU 55 CO 0.04 0.21 0.34 -0.97 -2.18 0.00 0.00 179.01 176.44 1hqi h ASN 56 N 0.32 0.41 0.00 1.04 -0.00 -1.00 -0.64 115.58 115.71 1hqi h ASN 56 Ca 0.43 0.07 0.00 0.00 -0.00 0.00 0.00 56.30 56.81 1hqi h ASN 56 Cb 0.74 0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.07 1hqi h ASN 56 CO -0.49 0.22 0.00 -0.11 -0.00 0.00 0.00 177.43 177.05 1hqi n LEU 57 N -4.90 0.00 -0.52 0.34 -0.00 0.25 -0.27 117.00 111.90 1hqi n LEU 57 Ca 0.12 0.87 0.43 0.00 -0.00 0.00 0.00 56.01 57.44 1hqi n LEU 57 Cb 0.31 -0.37 0.67 0.00 -0.00 0.00 0.00 43.42 44.02 1hqi n LEU 57 CO 0.23 -0.37 1.37 0.61 -0.00 0.00 0.00 177.39 179.23 1hqi n GLY 58 N -0.93 -0.88 0.46 -3.96 0.00 -0.75 -0.05 105.19 99.07 1hqi n GLY 58 Ca 0.00 0.56 -0.16 0.00 0.00 0.00 0.00 46.02 46.42 1hqi n GLY 58 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1hqi h ARG 59 N 0.00 -0.77 -1.51 1.61 9.65 0.94 0.23 114.38 124.53 1hqi h ARG 59 Ca 0.76 0.05 0.46 0.00 -1.10 0.00 0.00 59.98 60.15 1hqi h ARG 59 Cb 3.39 0.18 -0.10 0.00 -1.39 0.00 0.00 29.97 32.05 1hqi h ARG 59 CO -0.01 -0.52 1.04 0.00 2.80 0.00 0.00 179.97 183.28 1hqi h ALA 60 N -0.51 3.17 -0.55 2.80 0.00 -0.40 0.98 119.26 124.76 1hqi h ALA 60 Ca -0.02 0.02 -0.51 0.00 0.00 0.00 0.00 54.91 54.41 1hqi h ALA 60 Cb 0.77 0.16 -0.18 0.00 0.00 0.00 0.00 17.79 18.54 1hqi h ALA 60 CO -0.19 -1.71 0.44 1.87 0.00 0.00 0.00 179.25 179.66 1hqi n TRP 61 N -4.34 1.64 -2.24 0.00 -0.00 0.82 -4.84 117.44 108.47 1hqi n TRP 61 Ca 0.37 -1.96 -0.37 0.00 -0.00 0.00 0.00 57.50 55.53 1hqi n TRP 61 Cb 1.57 -1.39 -0.03 0.00 -0.00 0.00 0.00 31.31 31.47 1hqi n TRP 61 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1hqi n ASP 62 N 0.86 4.02 0.00 5.87 5.75 0.34 -4.72 116.55 128.67 1hqi n ASP 62 Ca 0.49 -2.82 0.02 0.00 -0.01 0.00 0.00 54.79 52.48 1hqi n ASP 62 Cb 0.54 -1.70 0.13 0.00 -1.03 0.00 0.00 41.12 39.06 1hqi n ASP 62 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1hqi n VAL 63 N 6.81 0.00 -0.48 2.12 0.31 -1.26 -4.07 118.33 121.76 1hqi n VAL 63 Ca 0.48 0.00 0.41 0.00 -0.01 0.00 0.00 64.34 65.22 1hqi n VAL 63 Cb 0.45 -0.29 0.63 0.00 -0.91 0.00 0.00 33.84 33.72 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 -0.61 0.01 0.26 5.55 3.00 -1.26 0.31 117.38 124.64 1hqi n GLN 64 Ca 0.03 1.03 -0.16 0.00 -0.01 0.00 0.00 57.00 57.90 1hqi n GLN 64 Cb 0.01 -2.47 -0.08 0.00 0.00 0.00 0.00 30.24 27.71 1hqi n GLN 64 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1hqi h GLU 65 N 0.00 -0.72 0.00 -1.09 5.08 -2.00 0.66 114.58 116.51 1hqi h GLU 65 Ca 0.73 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 59.13 1hqi h GLU 65 Cb 3.34 0.16 0.00 0.00 0.50 0.00 0.00 28.75 32.76 1hqi h GLU 65 CO -0.01 -0.48 0.00 -1.33 -1.00 0.00 0.00 179.01 176.19 1hqi n MET 66 N -5.45 0.06 0.00 2.33 2.81 0.15 -2.31 117.12 114.71 1hqi n MET 66 Ca -0.11 0.26 0.03 0.00 -1.81 0.00 0.00 57.70 56.08 1hqi n MET 66 Cb 0.35 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.53 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 -1.42 0.00 -0.21 4.03 7.94 0.22 -4.14 117.00 123.42 1hqi n LEU 67 Ca 0.04 0.00 0.28 0.00 -1.11 0.00 0.00 56.01 55.22 1hqi n LEU 67 Cb 0.11 0.00 0.45 0.00 0.53 0.00 0.00 43.42 44.51 1hqi n LEU 67 CO 0.09 0.00 1.26 0.58 -1.11 0.00 0.00 177.39 178.22 1hqi h VAL 68 N 0.00 0.01 -3.77 1.96 2.07 -1.53 -3.40 116.25 111.59 1hqi h VAL 68 Ca 0.00 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.96 1hqi h VAL 68 Cb 0.00 0.02 0.13 0.00 -1.52 0.00 0.00 31.29 29.92 1hqi h VAL 68 CO 0.00 0.00 0.56 0.47 0.02 0.00 0.00 177.57 178.62 1hqi n ASP 69 N -3.27 2.75 -4.14 0.57 8.00 -1.26 -4.88 116.55 114.33 1hqi n ASP 69 Ca 0.23 1.08 -0.35 0.00 0.71 0.00 0.00 54.79 56.46 1hqi n ASP 69 Cb 1.52 -1.54 0.06 0.00 -0.02 0.00 0.00 41.12 41.14 1hqi n ASP 69 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1hqi n VAL 70 N -0.42 0.03 -3.87 2.53 0.31 -0.80 -4.36 118.33 111.76 1hqi n VAL 70 Ca 0.07 -0.41 -0.12 0.00 -0.01 0.00 0.00 64.34 63.88 1hqi n VAL 70 Cb 0.41 -0.19 -0.13 0.00 -0.91 0.00 0.00 33.84 33.02 1hqi n VAL 70 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1hqi s ILE 71 N -2.11 0.02 -0.07 2.52 -0.00 -1.21 -2.30 121.20 118.03 1hqi s ILE 71 Ca 0.46 -0.13 -0.22 0.00 -0.00 0.00 0.00 60.65 60.76 1hqi s ILE 71 Cb -0.20 -0.12 0.05 0.00 -0.00 0.00 0.00 42.46 42.19 1hqi s ILE 71 CO 0.78 -0.07 0.50 -0.89 -0.00 0.00 0.00 174.94 175.26 1hqi s THR 72 N -0.20 0.02 0.34 8.37 2.01 0.80 -4.79 115.64 122.19 1hqi s THR 72 Ca -0.02 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 61.83 1hqi s THR 72 Cb -0.02 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1hqi s THR 72 CO 0.00 -0.10 0.14 0.27 -0.69 0.00 0.00 174.62 174.24 1hqi s ILE 73 N -0.90 0.52 0.00 1.82 -4.36 -1.26 -1.17 121.20 115.85 1hqi s ILE 73 Ca -0.09 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.30 1hqi s ILE 73 Cb -0.03 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.17 1hqi s ILE 73 CO 0.06 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.85 1hqi n GLY 74 N -0.69 -1.85 0.00 6.27 0.00 0.98 -4.49 105.19 105.41 1hqi n GLY 74 Ca -0.01 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 1.15 3.62 -0.02 0.00 -1.26 0.85 105.19 109.53 1hqi n GLY 75 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 1hqi n GLY 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hqi s ASN 76 N 1.00 -0.12 -0.26 1.61 2.47 -1.26 -5.00 114.94 113.39 1hqi s ASN 76 Ca 0.00 0.09 -0.04 0.00 0.42 0.00 0.00 52.86 53.33 1hqi s ASN 76 Cb 0.00 0.11 0.10 0.00 -1.45 0.00 0.00 41.25 40.00 1hqi s ASN 76 CO 0.00 -0.14 0.16 0.68 -3.72 0.00 0.00 177.10 174.08 1hqi s VAL 77 N -1.50 -0.15 -0.32 -5.21 -7.23 -1.26 -4.12 120.40 100.61 1hqi s VAL 77 Ca 0.07 -0.55 -0.08 0.00 -1.81 0.00 0.00 61.98 59.62 1hqi s VAL 77 Cb -0.01 -0.88 0.02 0.00 0.56 0.00 0.00 36.38 36.07 1hqi s VAL 77 CO -0.05 -0.56 0.11 -1.81 -0.31 0.00 0.00 175.10 172.48 1hqi s ASP 78 N 2.17 5.30 -0.15 4.85 1.11 -1.00 -5.05 116.67 123.91 1hqi s ASP 78 Ca 0.08 -0.85 -0.03 0.00 0.18 0.00 0.00 52.55 51.92 1hqi s ASP 78 Cb -0.16 -1.91 -0.03 0.00 1.07 0.00 0.00 42.92 41.89 1hqi s ASP 78 CO -0.29 -0.26 -0.03 -1.61 1.18 0.00 0.00 175.17 174.17 1hqi s GLU 79 N 1.49 3.58 0.00 8.23 2.02 -1.26 -2.51 118.70 130.25 1hqi s GLU 79 Ca 0.02 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1hqi s GLU 79 Cb -0.18 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.15 1hqi s GLU 79 CO 0.03 0.31 0.00 -0.40 0.02 0.00 0.00 175.26 175.23 1hqi n ASP 80 N 3.32 0.00 -0.05 -0.19 5.68 -1.26 -5.06 116.55 119.00 1hqi n ASP 80 Ca -0.17 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.02 1hqi n ASP 80 Cb 0.53 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.47 1hqi n ASP 80 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1hqi n ASP 81 N 0.00 1.43 0.00 -1.12 2.03 -1.26 -4.93 116.55 112.70 1hqi n ASP 81 Ca 0.00 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1hqi n ASP 81 Cb 0.00 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 1hqi n ASP 81 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1hqi n ASP 82 N -3.93 2.94 -3.30 1.67 5.75 -1.26 -5.07 116.55 113.35 1hqi n ASP 82 Ca -0.17 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.36 1hqi n ASP 82 Cb 0.46 0.20 0.22 0.00 -1.03 0.00 0.00 41.12 40.97 1hqi n ASP 82 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1hqi n ARG 83 N -1.71 -3.32 -3.64 0.11 3.00 -1.26 -4.83 116.66 105.00 1hqi n ARG 83 Ca 0.00 -1.36 -0.06 0.00 -0.01 0.00 0.00 57.85 56.42 1hqi n ARG 83 Cb 0.32 -1.42 -0.07 0.00 0.00 0.00 0.00 32.46 31.29 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 -2.38 -0.99 0.11 -1.55 5.36 -0.69 -4.16 117.98 113.68 1hqi s PHE 84 Ca 0.57 1.98 0.04 0.00 -0.96 0.00 0.00 56.93 58.56 1hqi s PHE 84 Cb -0.07 0.59 -0.04 0.00 -0.34 0.00 0.00 43.02 43.16 1hqi s PHE 84 CO 0.45 -0.49 -0.10 0.54 -1.46 0.00 0.00 175.22 174.16 1hqi s VAL 85 N 1.57 1.01 0.00 3.12 0.11 -1.04 -1.70 120.40 123.47 1hqi s VAL 85 Ca -0.10 -1.81 0.00 0.00 -2.93 0.00 0.00 61.98 57.14 1hqi s VAL 85 Cb -0.05 -1.56 0.00 0.00 -1.53 0.00 0.00 36.38 33.24 1hqi s VAL 85 CO -0.19 -0.65 0.00 0.00 -3.33 0.00 0.00 175.10 170.94 1hqi n LEU 86 N 0.25 0.00 0.00 2.54 -0.00 -1.01 -2.38 117.00 116.40 1hqi n LEU 86 Ca -0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.84 1hqi n LEU 86 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.00 1hqi n LEU 86 CO 0.29 0.00 -0.03 -0.62 -0.00 0.00 0.00 177.39 177.03 1hqi n GLU 87 N 0.00 1.73 -2.57 1.47 1.02 -1.26 -0.82 120.64 120.22 1hqi n GLU 87 Ca 0.00 -0.41 -0.43 0.00 -0.02 0.00 0.00 57.16 56.30 1hqi n GLU 87 Cb 0.00 0.12 -0.02 0.00 -0.02 0.00 0.00 31.44 31.52 1hqi n GLU 87 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1hqi s TRP 88 N -1.27 3.11 0.08 -0.32 -0.00 -0.93 -3.62 118.94 115.98 1hqi s TRP 88 Ca 0.00 1.23 0.00 0.00 -0.00 0.00 0.00 56.10 57.33 1hqi s TRP 88 Cb 0.00 -3.49 0.00 0.00 -0.00 0.00 0.00 33.47 29.98 1hqi s TRP 88 CO 0.00 -0.98 0.00 1.17 -0.00 0.00 0.00 176.95 177.15 1hqi n LYS 89 N 6.62 0.00 0.00 5.86 0.00 -1.26 -4.61 118.16 124.77 1hqi n LYS 89 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 58.31 58.57 1hqi n LYS 89 Cb 0.46 -0.15 0.33 0.00 0.00 0.00 0.00 35.03 35.66 1hqi n LYS 89 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69