#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 -0.10 0.00 7.83 7.64 -1.26 -4.81 113.62 122.92 1hqi n SER 2 Ca 0.00 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.76 1hqi n SER 2 Cb 0.00 -2.44 0.00 0.00 -1.01 0.00 0.00 64.21 60.76 1hqi n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1hqi n SER 3 N -2.91 0.73 -4.32 6.43 7.64 -1.26 -4.75 113.62 115.18 1hqi n SER 3 Ca -0.28 -0.88 -0.19 0.00 1.01 0.00 0.00 58.87 58.54 1hqi n SER 3 Cb 0.67 0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 63.99 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 -0.45 2.51 0.42 -3.43 0.05 -1.21 0.25 118.68 116.82 1hqi s LEU 4 Ca 0.00 -0.95 0.06 0.00 0.05 0.00 0.00 54.13 53.29 1hqi s LEU 4 Cb 0.00 -0.67 -0.07 0.00 -2.05 0.00 0.00 46.19 43.40 1hqi s LEU 4 CO 0.00 -0.15 0.02 0.68 -0.55 0.00 0.00 176.35 176.36 1hqi s VAL 5 N -2.67 1.93 -0.00 1.48 -7.23 -0.94 -4.68 120.40 108.29 1hqi s VAL 5 Ca 0.19 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 1hqi s VAL 5 Cb -0.02 -2.90 -0.00 0.00 0.56 0.00 0.00 36.38 34.01 1hqi s VAL 5 CO 0.06 0.00 0.01 -0.47 -0.31 0.00 0.00 175.10 174.39 1hqi s TYR 6 N -2.72 0.01 0.01 2.82 5.04 -0.46 -1.52 117.35 120.53 1hqi s TYR 6 Ca 0.32 -0.02 -0.28 0.00 -2.44 0.00 0.00 57.07 54.65 1hqi s TYR 6 Cb 0.09 -0.02 0.07 0.00 0.35 0.00 0.00 41.96 42.44 1hqi s TYR 6 CO 0.17 -0.03 0.63 0.96 -1.34 0.00 0.00 175.55 175.93 1hqi s ILE 7 N -0.19 0.01 0.12 3.14 -5.25 -0.72 0.34 121.20 118.65 1hqi s ILE 7 Ca -0.02 -0.05 0.00 0.00 -0.99 0.00 0.00 60.65 59.59 1hqi s ILE 7 Cb -0.01 -0.98 -0.00 0.00 2.95 0.00 0.00 42.46 44.41 1hqi s ILE 7 CO -0.00 -0.03 0.15 0.00 -1.79 0.00 0.00 174.94 173.28 1hqi n ALA 8 N 0.57 -0.02 -2.28 2.27 0.00 -0.85 0.10 120.51 120.29 1hqi n ALA 8 Ca -0.19 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.52 1hqi n ALA 8 Cb 0.59 0.49 -0.09 0.00 0.00 0.00 0.00 19.45 20.43 1hqi n ALA 8 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1hqi s PHE 9 N -3.80 1.18 0.00 0.00 5.36 -0.43 -0.79 117.98 119.50 1hqi s PHE 9 Ca 0.11 -1.37 0.00 0.00 -0.96 0.00 0.00 56.93 54.71 1hqi s PHE 9 Cb -0.00 -0.53 0.00 0.00 -0.34 0.00 0.00 43.02 42.15 1hqi s PHE 9 CO 0.08 -0.70 0.00 0.00 -1.46 0.00 0.00 175.22 173.14 1hqi n GLN 10 N -0.32 0.00 0.00 10.12 10.64 -1.11 -1.40 117.38 135.31 1hqi n GLN 10 Ca 0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 1hqi n GLN 10 Cb 0.65 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.03 1hqi n GLN 10 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1hqi n ASP 11 N 0.00 0.62 0.06 2.61 -0.08 -1.26 0.11 116.55 118.61 1hqi n ASP 11 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1hqi n ASP 11 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1hqi n ASP 11 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1hqi n ASN 12 N 0.00 0.37 -0.00 1.67 2.85 -1.26 -4.90 115.26 113.99 1hqi n ASN 12 Ca 0.00 0.19 0.01 0.00 -0.11 0.00 0.00 54.58 54.67 1hqi n ASN 12 Cb 0.00 -0.01 -0.01 0.00 1.24 0.00 0.00 39.78 41.00 1hqi n ASN 12 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1hqi n ASP 13 N -3.16 2.39 -0.16 1.20 2.03 -1.26 -4.51 116.55 113.08 1hqi n ASP 13 Ca 0.00 -0.26 0.05 0.00 0.52 0.00 0.00 54.79 55.09 1hqi n ASP 13 Cb 0.00 1.04 0.23 0.00 -0.72 0.00 0.00 41.12 41.67 1hqi n ASP 13 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1hqi n ASN 14 N -1.30 0.47 -0.52 1.67 4.13 -1.26 -4.11 115.26 114.34 1hqi n ASN 14 Ca -0.00 -1.79 0.42 0.00 1.68 0.00 0.00 54.58 54.90 1hqi n ASN 14 Cb 0.03 -0.05 0.73 0.00 -1.54 0.00 0.00 39.78 38.95 1hqi n ASN 14 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hqi h ALA 15 N 3.39 3.20 -0.04 5.41 0.00 -1.91 0.33 119.26 129.65 1hqi h ALA 15 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1hqi h ALA 15 Cb 0.13 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1hqi h ALA 15 CO 0.00 -1.76 -0.39 -0.09 0.00 0.00 0.00 179.25 177.00 1hqi h ARG 16 N 0.05 -0.51 -0.19 0.00 2.43 -1.96 0.11 114.38 114.30 1hqi h ARG 16 Ca 0.82 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 60.01 1hqi h ARG 16 Cb 2.95 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 32.61 1hqi h ARG 16 CO -0.21 -0.34 0.03 1.88 -1.51 0.00 0.00 179.97 179.83 1hqi h TYR 17 N -0.53 0.26 -0.89 2.20 -1.99 -0.70 -1.58 116.97 113.75 1hqi h TYR 17 Ca 0.06 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.85 1hqi h TYR 17 Cb 0.62 -0.08 -0.06 0.00 2.00 0.00 0.00 36.73 39.21 1hqi h TYR 17 CO -0.42 0.25 0.55 0.28 -0.00 0.00 0.00 178.16 178.82 1hqi h VAL 18 N 0.27 1.04 -0.04 -2.88 2.07 -0.46 0.95 116.25 117.20 1hqi h VAL 18 Ca 0.07 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 1hqi h VAL 18 Cb 0.13 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1hqi h VAL 18 CO -0.00 0.18 -0.48 0.58 0.02 0.00 0.00 177.57 177.88 1hqi h VAL 19 N 1.00 1.34 -0.01 2.57 2.07 -0.24 -2.31 116.25 120.66 1hqi h VAL 19 Ca 0.39 -1.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 1hqi h VAL 19 Cb 0.19 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1hqi h VAL 19 CO -0.18 0.48 0.01 -0.08 0.02 0.00 0.00 177.57 177.82 1hqi h GLU 20 N 0.07 0.02 -0.81 1.57 4.57 -0.42 -2.57 114.58 117.01 1hqi h GLU 20 Ca 0.00 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1hqi h GLU 20 Cb 0.87 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.42 1hqi h GLU 20 CO 0.07 0.14 0.35 0.00 -1.18 0.00 0.00 179.01 178.39 1hqi h ALA 21 N 0.87 1.05 -0.86 2.92 0.00 -1.16 -2.19 119.26 119.89 1hqi h ALA 21 Ca 0.00 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.91 1hqi h ALA 21 Cb 0.13 -0.32 -0.11 0.00 0.00 0.00 0.00 17.79 17.50 1hqi h ALA 21 CO -0.00 0.65 0.39 0.82 0.00 0.00 0.00 179.25 181.12 1hqi h ILE 22 N 1.17 0.60 -0.15 0.00 1.08 -1.10 1.53 117.51 120.64 1hqi h ILE 22 Ca 0.27 -0.17 -0.12 0.00 -0.39 0.00 0.00 64.86 64.46 1hqi h ILE 22 Cb 0.18 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 33.98 1hqi h ILE 22 CO -0.03 0.09 -0.42 0.40 -0.69 0.00 0.00 178.15 177.50 1hqi h ILE 23 N 0.49 1.31 -0.21 -0.67 1.08 -1.03 -0.53 117.51 117.95 1hqi h ILE 23 Ca 0.50 -1.56 0.00 0.00 -0.39 0.00 0.00 64.86 63.41 1hqi h ILE 23 Cb 0.84 1.66 0.00 0.00 -3.07 0.00 0.00 36.82 36.24 1hqi h ILE 23 CO -0.45 0.47 0.00 0.00 -0.69 0.00 0.00 178.15 177.49 1hqi n GLN 24 N -4.02 1.83 -0.00 2.37 3.00 0.16 -3.75 117.38 116.98 1hqi n GLN 24 Ca -0.02 -1.25 0.01 0.00 -0.01 0.00 0.00 57.00 55.73 1hqi n GLN 24 Cb 0.50 -1.40 -0.02 0.00 0.00 0.00 0.00 30.24 29.32 1hqi n GLN 24 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1hqi n ASP 25 N 0.48 0.82 -0.01 1.08 9.92 0.47 -4.65 116.55 124.67 1hqi n ASP 25 Ca 0.16 -0.48 -0.00 0.00 -0.53 0.00 0.00 54.79 53.94 1hqi n ASP 25 Cb 0.36 1.02 -0.00 0.00 -0.64 0.00 0.00 41.12 41.86 1hqi n ASP 25 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1hqi h ASN 26 N 0.00 0.00 -1.51 -2.24 -0.26 -1.20 0.89 115.58 111.26 1hqi h ASN 26 Ca 0.00 0.00 0.44 0.00 -0.56 0.00 0.00 56.30 56.18 1hqi h ASN 26 Cb 0.08 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.28 1hqi h ASN 26 CO 0.00 0.08 1.27 -0.65 -1.06 0.00 0.00 177.43 177.07 1hqi h PRO 27 N -0.12 0.00 0.03 0.81 0.11 -1.83 0.60 132.00 131.59 1hqi h PRO 27 Ca 0.00 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.73 1hqi h PRO 27 Cb 0.05 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.10 1hqi h PRO 27 CO 0.00 0.00 -2.36 1.58 -0.21 0.00 0.00 178.00 177.01 1hqi n HIS 28 N -3.69 0.28 -1.95 0.65 -0.00 -1.26 -5.00 115.22 104.25 1hqi n HIS 28 Ca 0.34 0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.58 1hqi n HIS 28 Cb 1.73 -1.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.56 1hqi n HIS 28 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1hqi n ALA 29 N -3.15 0.00 -1.82 1.57 0.00 0.21 -5.10 120.51 112.23 1hqi n ALA 29 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1hqi n ALA 29 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.47 1hqi n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1hqi n VAL 30 N 0.00 0.00 -3.61 0.00 0.31 -1.25 -4.64 118.33 109.14 1hqi n VAL 30 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1hqi n VAL 30 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1hqi n VAL 30 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1hqi s VAL 31 N 3.04 0.00 -0.31 2.52 1.01 -1.26 -4.50 120.40 120.89 1hqi s VAL 31 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1hqi s VAL 31 Cb 0.00 -1.00 0.19 0.00 0.00 0.00 0.00 36.38 35.57 1hqi s VAL 31 CO 0.00 0.00 1.02 -1.10 0.00 0.00 0.00 175.10 175.02 1hqi s GLN 32 N 0.08 0.20 0.23 2.72 -0.21 -1.24 -4.85 119.66 116.59 1hqi s GLN 32 Ca -0.01 0.05 0.10 0.00 0.02 0.00 0.00 55.36 55.51 1hqi s GLN 32 Cb -0.04 0.05 -0.04 0.00 1.00 0.00 0.00 33.01 33.98 1hqi s GLN 32 CO 0.01 -0.32 -0.09 -1.58 -2.12 0.00 0.00 175.29 171.19 1hqi s HIS 33 N 2.48 2.59 0.00 0.91 2.46 -1.26 0.00 115.29 122.46 1hqi s HIS 33 Ca 0.21 -0.24 0.00 0.00 0.47 0.00 0.00 55.06 55.50 1hqi s HIS 33 Cb -0.00 -1.20 0.00 0.00 -0.13 0.00 0.00 32.58 31.25 1hqi s HIS 33 CO -0.19 0.58 0.00 0.72 -2.47 0.00 0.00 174.74 173.38 1hqi n HIS 34 N -0.37 -0.28 0.35 3.88 8.25 -1.11 -4.84 115.22 121.11 1hqi n HIS 34 Ca -0.08 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.42 1hqi n HIS 34 Cb 0.57 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.88 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 -0.09 2.52 0.00 -0.41 -0.04 -1.26 -4.71 135.00 131.01 1hqi n PRO 35 Ca 0.00 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 1hqi n PRO 35 Cb 0.00 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 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 0.49 0.16 -1.97 0.55 0.00 -1.26 -5.13 120.51 113.34 1hqi n ALA 36 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.31 1hqi n ALA 36 Cb 0.55 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.06 1hqi n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hqi s MET 37 N -0.36 2.52 0.34 0.00 0.23 -1.26 -5.02 119.30 115.75 1hqi s MET 37 Ca 0.00 -0.01 0.04 0.00 -1.03 0.00 0.00 55.69 54.69 1hqi s MET 37 Cb 0.00 -2.16 -0.01 0.00 -1.53 0.00 0.00 34.83 31.13 1hqi s MET 37 CO 0.00 -1.06 0.50 -1.50 -2.03 0.00 0.00 175.02 170.92 1hqi s ILE 38 N -3.22 4.41 0.09 3.16 -1.16 -0.49 -2.74 121.20 121.26 1hqi s ILE 38 Ca 0.58 -0.83 -0.01 0.00 -0.51 0.00 0.00 60.65 59.88 1hqi s ILE 38 Cb -0.11 -3.57 -0.04 0.00 0.61 0.00 0.00 42.46 39.36 1hqi s ILE 38 CO 0.46 -0.27 0.01 -0.13 -2.81 0.00 0.00 174.94 172.20 1hqi s ARG 39 N -4.23 0.78 0.21 3.50 0.52 0.10 -1.31 118.95 118.52 1hqi s ARG 39 Ca 0.43 -1.34 -0.21 0.00 -0.52 0.00 0.00 55.73 54.10 1hqi s ARG 39 Cb -0.10 0.17 0.04 0.00 0.52 0.00 0.00 34.95 35.59 1hqi s ARG 39 CO 0.33 -0.17 0.61 0.42 0.02 0.00 0.00 175.30 176.51 1hqi s ILE 40 N -3.94 0.01 0.24 1.52 1.01 0.29 -3.66 121.20 116.66 1hqi s ILE 40 Ca 0.15 -0.56 -0.21 0.00 0.00 0.00 0.00 60.65 60.04 1hqi s ILE 40 Cb 0.08 -1.49 0.03 0.00 0.01 0.00 0.00 42.46 41.09 1hqi s ILE 40 CO -0.04 -0.04 0.66 -0.70 0.00 0.00 0.00 174.94 174.82 1hqi s GLU 41 N -3.84 1.59 0.00 2.79 2.12 -1.26 -1.76 118.70 118.35 1hqi s GLU 41 Ca 0.07 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.55 1hqi s GLU 41 Cb -0.03 0.59 0.00 0.00 0.26 0.00 0.00 34.13 34.95 1hqi s GLU 41 CO -0.04 -0.72 0.00 0.00 -0.54 0.00 0.00 175.26 173.97 1hqi n ALA 42 N -0.42 0.00 -3.54 6.30 0.00 -0.58 -3.75 120.51 118.53 1hqi n ALA 42 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.07 1hqi n ALA 42 Cb 0.61 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.92 1hqi n ALA 42 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1hqi s GLU 43 N -0.57 0.34 0.00 0.00 4.04 -1.26 -2.21 118.70 119.04 1hqi s GLU 43 Ca 0.00 -0.80 0.00 0.00 0.04 0.00 0.00 54.97 54.21 1hqi s GLU 43 Cb 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 34.13 32.87 1hqi s GLU 43 CO 0.00 -1.07 0.00 1.63 -1.84 0.00 0.00 175.26 173.98 1hqi n LYS 44 N 4.88 0.00 -3.76 -4.83 5.02 0.68 -4.84 118.16 115.32 1hqi n LYS 44 Ca -0.01 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.25 1hqi n LYS 44 Cb 0.41 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.41 1hqi n LYS 44 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1hqi s ARG 45 N -0.36 1.13 -0.23 1.97 1.70 -1.26 -3.29 118.95 118.62 1hqi s ARG 45 Ca 0.00 -0.65 -0.26 0.00 -0.47 0.00 0.00 55.73 54.35 1hqi s ARG 45 Cb 0.00 0.37 0.08 0.00 -0.57 0.00 0.00 34.95 34.83 1hqi s ARG 45 CO 0.00 -0.52 0.74 -1.17 -1.08 0.00 0.00 175.30 173.27 1hqi s LEU 46 N -3.02 -0.70 -0.00 -1.89 1.98 0.21 -2.32 118.68 112.94 1hqi s LEU 46 Ca 0.14 1.24 0.00 0.00 -2.89 0.00 0.00 54.13 52.62 1hqi s LEU 46 Cb -0.01 2.42 0.00 0.00 0.66 0.00 0.00 46.19 49.27 1hqi s LEU 46 CO 0.02 -0.32 -0.01 -0.70 -1.89 0.00 0.00 176.35 173.46 1hqi s GLU 47 N 0.03 0.12 0.15 1.98 2.12 -1.26 -1.78 118.70 120.06 1hqi s GLU 47 Ca -0.02 -0.03 -0.13 0.00 0.36 0.00 0.00 54.97 55.15 1hqi s GLU 47 Cb -0.04 -0.15 0.01 0.00 0.26 0.00 0.00 34.13 34.22 1hqi s GLU 47 CO 0.02 0.01 0.36 0.42 -0.54 0.00 0.00 175.26 175.53 1hqi s ILE 48 N 0.09 0.07 0.00 -3.70 1.09 0.33 -4.92 121.20 114.17 1hqi s ILE 48 Ca -0.01 -0.98 0.00 0.00 -1.10 0.00 0.00 60.65 58.57 1hqi s ILE 48 Cb -0.02 -1.51 0.00 0.00 -1.06 0.00 0.00 42.46 39.87 1hqi s ILE 48 CO -0.00 -0.32 0.00 0.54 -0.10 0.00 0.00 174.94 175.06 1hqi n ARG 49 N -0.22 3.55 0.08 2.79 1.74 -1.26 -2.35 116.66 120.98 1hqi n ARG 49 Ca -0.12 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.06 1hqi n ARG 49 Cb 0.63 0.00 0.41 0.00 -1.02 0.00 0.00 32.46 32.48 1hqi n ARG 49 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1hqi n ARG 50 N 0.00 0.11 0.00 5.56 1.85 -1.26 -2.38 116.66 120.54 1hqi n ARG 50 Ca 0.00 0.35 0.03 0.00 -1.00 0.00 0.00 57.85 57.23 1hqi n ARG 50 Cb 0.00 -1.71 0.15 0.00 -1.05 0.00 0.00 32.46 29.85 1hqi n ARG 50 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1hqi n GLU 51 N -1.93 0.00 -0.37 2.89 2.13 -1.26 -2.33 120.64 119.78 1hqi n GLU 51 Ca 0.03 0.37 -0.02 0.00 0.66 0.00 0.00 57.16 58.20 1hqi n GLU 51 Cb 0.20 -1.50 0.10 0.00 0.27 0.00 0.00 31.44 30.52 1hqi n GLU 51 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1hqi h THR 52 N 0.00 1.25 -1.21 6.31 2.02 -1.83 0.30 112.91 119.75 1hqi h THR 52 Ca 0.00 -0.45 0.35 0.00 0.77 0.00 0.00 66.41 67.08 1hqi h THR 52 Cb 0.12 -0.19 -0.09 0.00 -1.74 0.00 0.00 68.15 66.25 1hqi h THR 52 CO 0.00 0.24 0.81 0.58 0.37 0.00 0.00 175.52 177.52 1hqi h VAL 53 N 1.32 0.35 -0.15 3.16 2.07 -1.74 1.27 116.25 122.53 1hqi h VAL 53 Ca 0.36 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.74 1hqi h VAL 53 Cb -0.15 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1hqi h VAL 53 CO -0.08 0.03 -0.19 -0.08 0.02 0.00 0.00 177.57 177.28 1hqi h GLU 54 N 0.18 0.40 -0.77 1.57 4.81 -1.15 -2.62 114.58 117.00 1hqi h GLU 54 Ca 0.67 -0.22 0.18 0.00 -0.13 0.00 0.00 59.36 59.85 1hqi h GLU 54 Cb 2.13 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 31.40 1hqi h GLU 54 CO -0.24 0.79 0.14 0.93 -0.73 0.00 0.00 179.01 179.90 1hqi h GLU 55 N 0.02 0.20 -0.81 1.92 4.39 0.18 0.71 114.58 121.19 1hqi h GLU 55 Ca 0.02 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1hqi h GLU 55 Cb 0.74 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.30 1hqi h GLU 55 CO 0.04 0.13 0.45 -0.97 -1.16 0.00 0.00 179.01 177.51 1hqi h ASN 56 N 0.21 1.00 0.16 1.42 -0.00 -1.13 -0.03 115.58 117.21 1hqi h ASN 56 Ca 0.44 -0.08 0.01 0.00 -0.00 0.00 0.00 56.30 56.68 1hqi h ASN 56 Cb 0.79 -0.25 -0.03 0.00 -0.00 0.00 0.00 38.32 38.82 1hqi h ASN 56 CO -0.58 0.79 -0.30 0.25 -0.00 0.00 0.00 177.43 177.59 1hqi h LEU 57 N 1.13 -0.84 0.00 0.34 5.85 0.77 0.13 115.31 122.69 1hqi h LEU 57 Ca 0.29 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1hqi h LEU 57 Cb 0.01 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1hqi h LEU 57 CO -0.05 -0.40 0.00 0.61 -0.34 0.00 0.00 178.44 178.27 1hqi n GLY 58 N -1.41 -1.04 0.02 3.75 0.00 -0.70 -1.96 105.19 103.86 1hqi n GLY 58 Ca -0.07 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.47 0.08 -0.08 1.61 0.63 0.30 -4.08 116.66 113.64 1hqi n ARG 59 Ca 0.05 -0.05 0.25 0.00 -0.92 0.00 0.00 57.85 57.18 1hqi n ARG 59 Cb 0.19 -1.50 0.58 0.00 0.45 0.00 0.00 32.46 32.18 1hqi n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hqi h ALA 60 N 3.06 2.59 -0.41 5.13 0.00 -0.47 0.40 119.26 129.57 1hqi h ALA 60 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 1hqi h ALA 60 Cb 0.50 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.23 1hqi h ALA 60 CO 0.00 -1.28 0.36 1.87 0.00 0.00 0.00 179.25 180.21 1hqi n TRP 61 N -3.44 1.34 -3.43 0.00 -0.00 -1.26 -4.64 117.44 106.01 1hqi n TRP 61 Ca 0.16 -1.85 -0.35 0.00 -0.00 0.00 0.00 57.50 55.47 1hqi n TRP 61 Cb 1.13 -0.91 -0.05 0.00 -0.00 0.00 0.00 31.31 31.48 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 0.52 4.57 0.00 5.87 2.03 0.14 -4.84 116.55 124.83 1hqi n ASP 62 Ca 0.27 -3.30 0.09 0.00 0.52 0.00 0.00 54.79 52.37 1hqi n ASP 62 Cb 0.57 -0.98 0.54 0.00 -0.72 0.00 0.00 41.12 40.53 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 1.60 0.00 0.17 5.18 0.31 -1.26 -3.63 118.33 120.70 1hqi n VAL 63 Ca 0.25 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.75 1hqi n VAL 63 Cb 0.37 -0.54 0.60 0.00 -0.91 0.00 0.00 33.84 33.36 1hqi n VAL 63 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1hqi h GLN 64 N 0.00 0.00 -0.29 5.55 7.50 -1.96 0.55 115.11 126.45 1hqi h GLN 64 Ca 0.00 0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.19 1hqi h GLN 64 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.49 1hqi h GLN 64 CO 0.00 0.00 0.05 1.05 -1.50 0.00 0.00 178.83 178.43 1hqi h GLU 65 N 0.00 0.14 0.00 1.46 4.11 -2.00 0.13 114.58 118.43 1hqi h GLU 65 Ca 0.14 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1hqi h GLU 65 Cb 1.36 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1hqi h GLU 65 CO -0.00 0.10 0.00 0.52 0.07 0.00 0.00 179.01 179.69 1hqi h MET 66 N 0.15 0.00 -0.68 1.06 2.86 -1.21 -1.52 114.93 115.59 1hqi h MET 66 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1hqi h MET 66 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1hqi h MET 66 CO -0.19 0.00 0.00 -0.11 1.06 0.00 0.00 176.91 177.67 1hqi n LEU 67 N -2.63 4.08 -0.12 1.22 7.94 0.32 -4.56 117.00 123.25 1hqi n LEU 67 Ca 0.01 -2.05 0.22 0.00 -1.11 0.00 0.00 56.01 53.09 1hqi n LEU 67 Cb 0.23 -0.51 0.34 0.00 0.53 0.00 0.00 43.42 44.02 1hqi n LEU 67 CO 0.22 0.87 1.17 0.52 -1.11 0.00 0.00 177.39 179.06 1hqi n VAL 68 N 1.35 0.00 0.00 1.96 0.31 -0.37 -2.84 118.33 118.74 1hqi n VAL 68 Ca 0.24 1.17 0.00 0.00 -0.01 0.00 0.00 64.34 65.74 1hqi n VAL 68 Cb 0.70 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 1hqi n VAL 68 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1hqi n ASP 69 N -3.05 0.00 0.12 4.52 9.92 -1.26 -3.22 116.55 123.58 1hqi n ASP 69 Ca 0.19 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.46 1hqi n ASP 69 Cb 1.40 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.93 1hqi n ASP 69 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1hqi n VAL 70 N 0.00 0.13 -4.99 2.53 3.14 0.30 -3.98 118.33 115.46 1hqi n VAL 70 Ca 0.00 0.68 -0.29 0.00 -2.96 0.00 0.00 64.34 61.77 1hqi n VAL 70 Cb 0.00 -1.68 -0.17 0.00 -1.06 0.00 0.00 33.84 30.93 1hqi n VAL 70 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1hqi s ILE 71 N -2.79 1.70 0.07 1.55 -4.36 -1.13 -2.74 121.20 113.49 1hqi s ILE 71 Ca -0.00 -0.83 0.05 0.00 -0.26 0.00 0.00 60.65 59.61 1hqi s ILE 71 Cb 0.00 -1.47 -0.03 0.00 1.25 0.00 0.00 42.46 42.21 1hqi s ILE 71 CO 0.02 0.48 -0.14 -0.89 0.24 0.00 0.00 174.94 174.64 1hqi s THR 72 N 0.28 1.11 0.33 8.37 2.01 0.02 -4.45 115.64 123.31 1hqi s THR 72 Ca -0.12 -1.30 0.03 0.00 0.31 0.00 0.00 61.69 60.60 1hqi s THR 72 Cb -0.15 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1hqi s THR 72 CO 0.05 -0.23 0.14 0.27 -0.69 0.00 0.00 174.62 174.16 1hqi s ILE 73 N -1.28 0.50 0.00 1.82 -4.36 -1.25 -2.02 121.20 114.61 1hqi s ILE 73 Ca -0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1hqi s ILE 73 Cb -0.10 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.10 1hqi s ILE 73 CO 0.02 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.81 1hqi n GLY 74 N -0.67 0.00 2.71 6.27 0.00 1.03 -4.50 105.19 110.03 1hqi n GLY 74 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1hqi n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hqi s GLY 75 N 0.00 -0.37 -0.29 -0.02 0.00 -1.26 -1.36 107.32 104.02 1hqi s GLY 75 Ca 0.00 -1.01 -0.24 0.00 0.00 0.00 0.00 44.72 43.47 1hqi s GLY 75 CO 0.00 3.07 1.32 0.54 0.00 0.00 0.00 173.10 178.03 1hqi s ASN 76 N 0.85 -0.16 -0.35 1.64 4.22 -1.26 -3.61 114.94 116.28 1hqi s ASN 76 Ca 0.27 0.29 0.04 0.00 -2.14 0.00 0.00 52.86 51.32 1hqi s ASN 76 Cb -0.02 0.41 0.21 0.00 1.28 0.00 0.00 41.25 43.13 1hqi s ASN 76 CO -0.09 -0.05 1.20 0.55 -2.04 0.00 0.00 177.10 176.67 1hqi n VAL 77 N 1.97 0.00 0.00 3.54 3.14 -1.25 -4.72 118.33 121.00 1hqi n VAL 77 Ca -0.12 -0.93 0.00 0.00 -2.96 0.00 0.00 64.34 60.33 1hqi n VAL 77 Cb 0.57 0.85 0.00 0.00 -1.06 0.00 0.00 33.84 34.19 1hqi n VAL 77 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1hqi n ASP 78 N -0.28 0.00 -4.14 6.55 8.00 0.26 -3.77 116.55 123.17 1hqi n ASP 78 Ca -0.15 0.24 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 1hqi n ASP 78 Cb 0.72 -0.24 -0.09 0.00 -0.02 0.00 0.00 41.12 41.49 1hqi n ASP 78 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1hqi s GLU 79 N -2.45 2.48 0.00 -1.24 8.01 -1.24 -1.64 118.70 122.62 1hqi s GLU 79 Ca 0.00 -2.19 0.00 0.00 0.01 0.00 0.00 54.97 52.79 1hqi s GLU 79 Cb 0.00 -3.79 0.00 0.00 -4.31 0.00 0.00 34.13 26.03 1hqi s GLU 79 CO 0.00 -1.16 0.00 -0.25 0.01 0.00 0.00 175.26 173.86 1hqi n ASP 80 N 4.10 0.00 0.00 -0.19 9.92 -1.25 -4.95 116.55 124.18 1hqi n ASP 80 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1hqi n ASP 80 Cb 0.40 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 1hqi n ASP 80 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1hqi n ASP 81 N -1.04 0.00 0.00 -2.24 2.03 -1.26 -5.00 116.55 109.04 1hqi n ASP 81 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1hqi n ASP 81 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1hqi n ASP 81 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1hqi n ASP 82 N -1.02 2.90 -2.98 1.67 8.00 -1.26 -5.06 116.55 118.80 1hqi n ASP 82 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1hqi n ASP 82 Cb 0.00 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1hqi n ASP 82 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1hqi n ARG 83 N -1.45 1.43 -3.95 -1.24 3.00 -1.26 -5.00 116.66 108.20 1hqi n ARG 83 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.54 1hqi n ARG 83 Cb 0.30 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.60 1hqi n ARG 83 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1hqi s PHE 84 N 0.01 2.22 -0.02 -1.55 0.40 -0.99 -4.35 117.98 113.71 1hqi s PHE 84 Ca 0.00 -1.53 0.04 0.00 -0.60 0.00 0.00 56.93 54.84 1hqi s PHE 84 Cb 0.00 -1.53 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 1hqi s PHE 84 CO 0.00 -0.72 -0.13 0.54 0.70 0.00 0.00 175.22 175.60 1hqi s VAL 85 N 1.46 1.07 0.22 -0.44 0.11 -0.65 -0.51 120.40 121.66 1hqi s VAL 85 Ca -0.03 -0.56 0.03 0.00 -2.93 0.00 0.00 61.98 58.49 1hqi s VAL 85 Cb -0.17 -0.91 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 1hqi s VAL 85 CO -0.07 0.31 0.23 0.00 -3.33 0.00 0.00 175.10 172.23 1hqi n LEU 86 N 2.88 0.00 -5.00 2.54 -0.00 -0.74 -0.57 117.00 116.12 1hqi n LEU 86 Ca -0.15 -1.98 -0.18 0.00 -0.00 0.00 0.00 56.01 53.70 1hqi n LEU 86 Cb 0.55 1.28 0.01 0.00 -0.00 0.00 0.00 43.42 45.26 1hqi n LEU 86 CO 0.25 -0.37 0.17 -0.70 -0.00 0.00 0.00 177.39 176.73 1hqi s GLU 87 N -2.75 2.68 -1.19 1.47 2.12 -1.26 0.64 118.70 120.41 1hqi s GLU 87 Ca 0.23 -1.37 -0.21 0.00 0.36 0.00 0.00 54.97 53.98 1hqi s GLU 87 Cb 0.01 -2.67 -0.03 0.00 0.26 0.00 0.00 34.13 31.69 1hqi s GLU 87 CO 0.17 -0.38 1.86 -0.46 -0.54 0.00 0.00 175.26 175.91 1hqi s TRP 88 N -2.43 2.20 0.00 5.30 -0.11 -0.98 -4.40 118.94 118.51 1hqi s TRP 88 Ca 0.55 -0.17 0.00 0.00 1.22 0.00 0.00 56.10 57.70 1hqi s TRP 88 Cb -0.08 -4.24 0.00 0.00 -1.50 0.00 0.00 33.47 27.64 1hqi s TRP 88 CO 0.33 -1.44 0.00 1.17 -4.62 0.00 0.00 176.95 172.39 1hqi n LYS 89 N 8.38 0.00 0.00 5.86 3.00 -1.24 -4.83 118.16 129.33 1hqi n LYS 89 Ca 0.45 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.87 1hqi n LYS 89 Cb 0.47 0.00 0.64 0.00 0.00 0.00 0.00 35.03 36.14 1hqi n LYS 89 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69