#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 -0.43 -0.73 6.12 3.41 -1.26 -4.96 113.62 115.77 1hqi n SER 2 Ca 0.00 0.11 0.02 0.00 -0.26 0.00 0.00 58.87 58.74 1hqi n SER 2 Cb 0.00 0.72 0.03 0.00 -0.26 0.00 0.00 64.21 64.71 1hqi n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1hqi n SER 3 N -2.63 0.61 -1.12 4.04 7.64 -1.26 -5.02 113.62 115.88 1hqi n SER 3 Ca 0.00 -2.21 0.00 0.00 1.01 0.00 0.00 58.87 57.67 1hqi n SER 3 Cb 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1hqi n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hqi n LEU 4 N -0.08 0.00 -3.72 -3.43 -0.00 -1.21 -0.69 117.00 107.88 1hqi n LEU 4 Ca 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.95 1hqi n LEU 4 Cb 0.81 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 44.18 1hqi n LEU 4 CO -0.01 0.00 0.12 -0.69 -0.00 0.00 0.00 177.39 176.81 1hqi s VAL 5 N -0.94 0.07 -0.18 1.47 1.01 -1.04 -4.46 120.40 116.34 1hqi s VAL 5 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 1hqi s VAL 5 Cb 0.00 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 35.10 1hqi s VAL 5 CO 0.00 -0.34 0.47 -0.47 0.00 0.00 0.00 175.10 174.76 1hqi s TYR 6 N -3.84 -0.59 -0.28 5.22 5.04 -0.12 -1.13 117.35 121.65 1hqi s TYR 6 Ca 0.06 1.34 -0.23 0.00 -2.44 0.00 0.00 57.07 55.80 1hqi s TYR 6 Cb 0.02 0.24 0.09 0.00 0.35 0.00 0.00 41.96 42.66 1hqi s TYR 6 CO -0.09 -0.30 0.81 0.96 -1.34 0.00 0.00 175.55 175.59 1hqi s ILE 7 N 0.73 0.00 0.39 3.14 -0.00 -0.74 0.34 121.20 125.06 1hqi s ILE 7 Ca -0.04 0.00 0.04 0.00 -0.00 0.00 0.00 60.65 60.65 1hqi s ILE 7 Cb -0.05 -1.00 -0.04 0.00 -0.00 0.00 0.00 42.46 41.36 1hqi s ILE 7 CO -0.05 0.00 0.07 0.00 -0.00 0.00 0.00 174.94 174.95 1hqi s ALA 8 N 0.61 2.90 -0.09 2.27 0.00 -0.65 0.88 121.76 127.68 1hqi s ALA 8 Ca -0.01 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 50.09 1hqi s ALA 8 Cb -0.05 0.54 0.12 0.00 0.00 0.00 0.00 23.12 23.73 1hqi s ALA 8 CO -0.05 -0.25 0.96 -0.06 0.00 0.00 0.00 175.76 176.35 1hqi s PHE 9 N -3.14 -0.34 -0.45 0.00 0.08 -0.59 -1.16 117.98 112.39 1hqi s PHE 9 Ca 0.27 0.39 0.04 0.00 0.12 0.00 0.00 56.93 57.75 1hqi s PHE 9 Cb 0.06 0.50 0.12 0.00 -0.57 0.00 0.00 43.02 43.12 1hqi s PHE 9 CO 0.14 -0.43 0.18 -1.14 -0.10 0.00 0.00 175.22 173.87 1hqi s GLN 10 N -2.16 1.73 0.00 0.44 -0.44 0.41 -0.34 119.66 119.30 1hqi s GLN 10 Ca 0.02 -2.28 0.00 0.00 -2.50 0.00 0.00 55.36 50.60 1hqi s GLN 10 Cb -0.01 -3.19 0.00 0.00 -1.64 0.00 0.00 33.01 28.18 1hqi s GLN 10 CO -0.04 -1.05 0.00 -0.25 0.50 0.00 0.00 175.29 174.45 1hqi n ASP 11 N 3.58 -0.37 0.00 6.67 8.00 -1.24 -2.15 116.55 131.04 1hqi n ASP 11 Ca 0.05 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.07 1hqi n ASP 11 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1hqi n ASP 11 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1hqi n ASN 12 N -2.00 0.00 -0.00 -2.24 5.15 -1.26 -4.85 115.26 110.06 1hqi n ASN 12 Ca 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.97 1hqi n ASN 12 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 1hqi n ASN 12 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1hqi n ASP 13 N 0.00 4.60 -0.10 1.20 5.75 -1.26 -4.61 116.55 122.14 1hqi n ASP 13 Ca 0.00 -0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.66 1hqi n ASP 13 Cb 0.00 0.42 -0.12 0.00 -1.03 0.00 0.00 41.12 40.39 1hqi n ASP 13 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1hqi n ASN 14 N -2.13 1.51 -0.29 -1.12 6.94 -1.26 -4.28 115.26 114.63 1hqi n ASN 14 Ca -0.02 -0.06 -0.00 0.00 -0.02 0.00 0.00 54.58 54.48 1hqi n ASN 14 Cb 0.53 0.30 0.19 0.00 -2.36 0.00 0.00 39.78 38.44 1hqi n ASN 14 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hqi h ALA 15 N 0.43 1.39 -0.51 -2.53 0.00 -1.95 -1.13 119.26 114.97 1hqi h ALA 15 Ca -0.48 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1hqi h ALA 15 Cb 1.91 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1hqi h ALA 15 CO -0.02 0.56 0.15 0.07 0.00 0.00 0.00 179.25 180.01 1hqi h ARG 16 N 1.16 0.75 -0.41 0.00 0.11 -1.81 -2.03 114.38 112.14 1hqi h ARG 16 Ca 0.32 -0.13 -0.11 0.00 0.10 0.00 0.00 59.98 60.16 1hqi h ARG 16 Cb -0.12 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 30.82 1hqi h ARG 16 CO -0.07 0.66 -0.18 -0.92 0.10 0.00 0.00 179.97 179.55 1hqi h TYR 17 N 0.74 0.90 0.30 4.08 5.03 -1.42 -1.24 116.97 125.35 1hqi h TYR 17 Ca 0.17 -0.19 -0.01 0.00 2.58 0.00 0.00 58.73 61.27 1hqi h TYR 17 Cb 0.23 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.29 1hqi h TYR 17 CO 0.01 0.92 -0.15 0.28 -1.32 0.00 0.00 178.16 177.90 1hqi h VAL 18 N 0.70 0.69 0.00 1.81 2.07 -0.67 -1.30 116.25 119.56 1hqi h VAL 18 Ca 0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 1hqi h VAL 18 Cb 0.69 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1hqi h VAL 18 CO 0.05 0.00 -0.08 0.58 0.02 0.00 0.00 177.57 178.14 1hqi h VAL 19 N -0.41 0.42 -0.19 2.57 2.07 -1.36 -2.03 116.25 117.32 1hqi h VAL 19 Ca -0.04 -0.41 -0.14 0.00 0.82 0.00 0.00 66.70 66.93 1hqi h VAL 19 Cb 0.32 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1hqi h VAL 19 CO 0.06 0.08 -0.48 -0.08 0.02 0.00 0.00 177.57 177.17 1hqi h GLU 20 N 0.00 0.49 0.03 1.57 4.81 -0.13 -1.48 114.58 119.87 1hqi h GLU 20 Ca -0.00 -0.28 -0.22 0.00 -0.13 0.00 0.00 59.36 58.73 1hqi h GLU 20 Cb 0.28 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1hqi h GLU 20 CO 0.01 0.86 -0.98 0.00 -0.73 0.00 0.00 179.01 178.17 1hqi h ALA 21 N 1.09 0.39 -0.19 2.92 0.00 -0.62 -2.54 119.26 120.30 1hqi h ALA 21 Ca 0.02 -0.79 -0.18 0.00 0.00 0.00 0.00 54.91 53.96 1hqi h ALA 21 Cb 0.99 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1hqi h ALA 21 CO 0.09 0.97 -0.61 0.82 0.00 0.00 0.00 179.25 180.52 1hqi h ILE 22 N 0.09 1.31 0.20 0.00 2.04 -1.38 0.37 117.51 120.14 1hqi h ILE 22 Ca -0.06 -1.85 -0.01 0.00 1.00 0.00 0.00 64.86 63.93 1hqi h ILE 22 Cb 1.66 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 1hqi h ILE 22 CO 0.15 0.58 -0.09 0.40 0.00 0.00 0.00 178.15 179.19 1hqi h ILE 23 N 0.49 0.90 0.00 -0.67 2.04 -1.29 -2.75 117.51 116.23 1hqi h ILE 23 Ca -0.00 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1hqi h ILE 23 Cb 1.19 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1hqi h ILE 23 CO 0.12 0.15 -0.16 1.56 0.00 0.00 0.00 178.15 179.82 1hqi h GLN 24 N -0.63 0.00 -0.86 2.37 4.20 -1.50 -1.41 115.11 117.29 1hqi h GLN 24 Ca -0.03 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.90 1hqi h GLN 24 Cb 0.45 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.11 1hqi h GLN 24 CO 0.04 0.16 0.29 0.22 -0.67 0.00 0.00 178.83 178.88 1hqi h ASP 25 N 0.00 0.14 -3.36 1.46 3.58 -0.61 -3.34 116.42 114.29 1hqi h ASP 25 Ca -0.00 0.17 -0.57 0.00 0.42 0.00 0.00 57.03 57.05 1hqi h ASP 25 Cb 0.30 0.20 -0.07 0.00 1.72 0.00 0.00 39.33 41.48 1hqi h ASP 25 CO 0.02 -0.07 0.15 0.20 -2.88 0.00 0.00 179.24 176.66 1hqi s ASN 26 N -5.15 6.89 -0.17 2.28 0.01 -0.53 -4.94 114.94 113.34 1hqi s ASN 26 Ca -0.12 1.08 -0.05 0.00 -0.71 0.00 0.00 52.86 53.06 1hqi s ASN 26 Cb 0.25 -2.40 -0.13 0.00 0.41 0.00 0.00 41.25 39.38 1hqi s ASN 26 CO 0.77 -0.21 3.22 -0.81 -1.51 0.00 0.00 177.10 178.56 1hqi n PRO 27 N 4.41 2.10 0.00 -0.60 -0.04 -1.25 -3.89 135.00 135.72 1hqi n PRO 27 Ca -0.00 -1.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 1hqi n PRO 27 Cb 0.50 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 1.83 -1.56 -1.41 0.54 -0.00 -1.26 -5.11 115.22 108.25 1hqi n HIS 28 Ca 0.43 0.00 -0.47 0.00 0.46 0.00 0.00 57.72 58.14 1hqi n HIS 28 Cb 0.76 0.42 -0.02 0.00 -0.12 0.00 0.00 29.99 31.03 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 -2.35 -2.61 -2.66 1.57 0.00 -1.25 -4.94 120.51 108.27 1hqi n ALA 29 Ca 0.00 0.38 -0.21 0.00 0.00 0.00 0.00 53.44 53.61 1hqi n ALA 29 Cb 0.00 -1.63 -0.01 0.00 0.00 0.00 0.00 19.45 17.81 1hqi n ALA 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1hqi s VAL 30 N -1.11 4.67 0.08 0.00 1.01 -1.26 -4.95 120.40 118.84 1hqi s VAL 30 Ca 0.63 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 1hqi s VAL 30 Cb -0.86 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 31.90 1hqi s VAL 30 CO 0.57 -0.32 0.46 -0.69 0.00 0.00 0.00 175.10 175.13 1hqi s VAL 31 N -2.19 0.05 -0.39 2.92 1.01 -1.26 -4.60 120.40 115.94 1hqi s VAL 31 Ca 0.41 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1hqi s VAL 31 Cb -0.09 -1.03 0.20 0.00 0.00 0.00 0.00 36.38 35.45 1hqi s VAL 31 CO 0.32 -0.21 0.94 -1.58 0.00 0.00 0.00 175.10 174.57 1hqi s GLN 32 N -2.99 0.49 0.38 2.72 -0.44 -1.26 -5.09 119.66 113.46 1hqi s GLN 32 Ca -0.02 -0.38 0.08 0.00 -2.50 0.00 0.00 55.36 52.54 1hqi s GLN 32 Cb 0.00 0.00 -0.07 0.00 -1.64 0.00 0.00 33.01 31.30 1hqi s GLN 32 CO -0.06 -0.63 -0.03 -3.38 0.50 0.00 0.00 175.29 171.69 1hqi s HIS 33 N 1.31 2.48 0.00 1.67 -3.43 -1.26 -4.52 115.29 111.53 1hqi s HIS 33 Ca 0.22 -0.57 0.00 0.00 -0.80 0.00 0.00 55.06 53.90 1hqi s HIS 33 Cb 0.05 -1.59 0.00 0.00 -1.43 0.00 0.00 32.58 29.61 1hqi s HIS 33 CO -0.10 0.50 0.00 0.72 -2.00 0.00 0.00 174.74 173.86 1hqi n HIS 34 N -0.91 -1.59 -0.90 0.38 8.25 -1.26 -5.09 115.22 114.10 1hqi n HIS 34 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1hqi n HIS 34 Cb 0.65 0.32 0.00 0.00 1.12 0.00 0.00 29.99 32.08 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 -2.18 0.43 0.00 -0.41 -0.04 -1.26 -4.90 135.00 126.63 1hqi n PRO 35 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1hqi n PRO 35 Cb 0.00 0.00 0.58 0.00 -0.04 0.00 0.00 33.50 34.04 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 2.18 -2.76 0.55 0.00 -1.26 -4.74 120.51 111.47 1hqi n ALA 36 Ca 0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 1hqi n ALA 36 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.04 1hqi n ALA 36 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1hqi s MET 37 N -2.51 3.54 0.28 0.00 -1.94 -1.26 -4.78 119.30 112.63 1hqi s MET 37 Ca 0.23 -0.26 0.09 0.00 -1.71 0.00 0.00 55.69 54.04 1hqi s MET 37 Cb 0.15 -2.89 -0.04 0.00 2.01 0.00 0.00 34.83 34.06 1hqi s MET 37 CO 0.33 0.48 0.07 0.42 -0.01 0.00 0.00 175.02 176.32 1hqi s ILE 38 N -1.69 3.58 0.05 2.53 1.01 0.54 -4.38 121.20 122.84 1hqi s ILE 38 Ca 0.39 -1.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.15 1hqi s ILE 38 Cb -0.12 -3.00 0.02 0.00 0.01 0.00 0.00 42.46 39.37 1hqi s ILE 38 CO 0.27 -0.33 0.29 -0.60 0.00 0.00 0.00 174.94 174.57 1hqi s ARG 39 N -3.75 0.82 0.34 2.79 3.00 -1.26 -1.54 118.95 119.35 1hqi s ARG 39 Ca 0.33 -0.55 -0.13 0.00 -1.00 0.00 0.00 55.73 54.37 1hqi s ARG 39 Cb -0.06 0.35 0.03 0.00 0.00 0.00 0.00 34.95 35.27 1hqi s ARG 39 CO 0.22 -0.26 0.66 0.42 0.00 0.00 0.00 175.30 176.34 1hqi s ILE 40 N -2.70 0.00 0.00 4.11 1.01 0.25 -4.20 121.20 119.68 1hqi s ILE 40 Ca -0.04 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.42 1hqi s ILE 40 Cb -0.00 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1hqi s ILE 40 CO -0.04 0.00 0.00 1.21 0.00 0.00 0.00 174.94 176.11 1hqi n GLU 41 N -0.50 0.00 -0.03 2.79 2.13 -1.25 -1.79 120.64 121.99 1hqi n GLU 41 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1hqi n GLU 41 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 1hqi n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hqi n ALA 42 N -0.06 0.00 -2.73 4.31 0.00 -0.28 -4.48 120.51 117.26 1hqi n ALA 42 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1hqi n ALA 42 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1hqi n ALA 42 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1hqi n GLU 43 N 0.00 0.64 -0.45 0.00 0.28 -1.26 -2.49 120.64 117.36 1hqi n GLU 43 Ca 0.00 -1.50 0.00 0.00 -0.16 0.00 0.00 57.16 55.50 1hqi n GLU 43 Cb 0.00 -1.15 0.00 0.00 1.43 0.00 0.00 31.44 31.72 1hqi n GLU 43 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1hqi n LYS 44 N 1.53 0.00 -1.28 3.44 5.02 0.14 -4.71 118.16 122.29 1hqi n LYS 44 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1hqi n LYS 44 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.66 1hqi n LYS 44 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1hqi n ARG 45 N 0.00 0.91 -3.49 1.97 1.85 -1.26 -3.30 116.66 113.33 1hqi n ARG 45 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 1hqi n ARG 45 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 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 -0.50 -0.09 2.89 1.43 0.27 -2.18 118.68 120.50 1hqi s LEU 46 Ca 0.00 0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 53.26 1hqi s LEU 46 Cb 0.00 2.31 0.02 0.00 0.03 0.00 0.00 46.19 48.55 1hqi s LEU 46 CO 0.00 -0.69 0.23 -1.61 0.23 0.00 0.00 176.35 174.51 1hqi s GLU 47 N -2.54 0.26 0.08 1.70 2.02 -1.26 -2.32 118.70 116.63 1hqi s GLU 47 Ca -0.01 0.32 -0.10 0.00 0.02 0.00 0.00 54.97 55.19 1hqi s GLU 47 Cb -0.01 0.12 0.01 0.00 0.10 0.00 0.00 34.13 34.35 1hqi s GLU 47 CO -0.04 -0.04 0.23 0.42 0.02 0.00 0.00 175.26 175.86 1hqi s ILE 48 N 0.15 0.12 0.00 -1.63 1.09 -0.27 -4.93 121.20 115.73 1hqi s ILE 48 Ca -0.00 -0.98 0.00 0.00 -1.10 0.00 0.00 60.65 58.56 1hqi s ILE 48 Cb -0.02 -1.19 0.00 0.00 -1.06 0.00 0.00 42.46 40.19 1hqi s ILE 48 CO 0.00 -0.54 0.00 0.54 -0.10 0.00 0.00 174.94 174.84 1hqi n ARG 49 N 0.13 3.89 0.00 2.79 1.74 -1.26 -1.84 116.66 122.11 1hqi n ARG 49 Ca -0.16 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.00 1hqi n ARG 49 Cb 0.62 0.00 0.46 0.00 -1.02 0.00 0.00 32.46 32.51 1hqi n ARG 49 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1hqi n ARG 50 N 0.00 0.33 0.22 5.56 0.63 -1.24 -2.62 116.66 119.54 1hqi n ARG 50 Ca 0.00 0.09 0.10 0.00 -0.92 0.00 0.00 57.85 57.12 1hqi n ARG 50 Cb 0.00 -1.50 0.45 0.00 0.45 0.00 0.00 32.46 31.86 1hqi n ARG 50 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1hqi h GLU 51 N 0.00 0.00 -0.07 -0.14 4.11 -1.91 -3.16 114.58 113.41 1hqi h GLU 51 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1hqi h GLU 51 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1hqi h GLU 51 CO 0.00 0.22 0.02 1.15 0.07 0.00 0.00 179.01 180.47 1hqi h THR 52 N 0.00 1.17 -0.49 -1.06 2.02 -1.86 -1.56 112.91 111.13 1hqi h THR 52 Ca -0.00 -0.52 0.14 0.00 0.77 0.00 0.00 66.41 66.80 1hqi h THR 52 Cb 0.76 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1hqi h THR 52 CO 0.03 0.15 0.53 0.58 0.37 0.00 0.00 175.52 177.18 1hqi h VAL 53 N -0.09 0.34 -0.03 3.16 2.07 -1.77 0.43 116.25 120.35 1hqi h VAL 53 Ca 0.02 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.28 1hqi h VAL 53 Cb 0.21 0.58 0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1hqi h VAL 53 CO -0.00 0.00 -0.99 -0.33 0.02 0.00 0.00 177.57 176.27 1hqi h GLU 54 N 0.00 0.72 -0.23 1.57 5.08 -1.40 -2.76 114.58 117.57 1hqi h GLU 54 Ca 0.23 -0.73 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 1hqi h GLU 54 Cb 1.30 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1hqi h GLU 54 CO -0.00 1.31 0.03 0.93 -1.00 0.00 0.00 179.01 180.28 1hqi h GLU 55 N 0.43 0.38 -0.71 2.33 4.39 0.23 -2.53 114.58 119.10 1hqi h GLU 55 Ca -0.11 -0.11 0.06 0.00 0.34 0.00 0.00 59.36 59.54 1hqi h GLU 55 Cb 1.64 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 30.19 1hqi h GLU 55 CO 0.20 0.54 0.40 -0.97 -1.16 0.00 0.00 179.01 178.01 1hqi h ASN 56 N 0.17 0.59 0.28 1.42 -1.24 -1.37 0.20 115.58 115.63 1hqi h ASN 56 Ca 0.07 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.11 1hqi h ASN 56 Cb 0.35 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 1hqi h ASN 56 CO 0.01 0.38 -0.27 0.25 -1.29 0.00 0.00 177.43 176.51 1hqi h LEU 57 N 0.73 -0.71 0.00 0.34 5.85 -1.29 0.59 115.31 120.81 1hqi h LEU 57 Ca 0.32 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1hqi h LEU 57 Cb 0.21 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1hqi h LEU 57 CO -0.19 -0.39 0.00 0.61 -0.34 0.00 0.00 178.44 178.13 1hqi n GLY 58 N -1.39 -0.77 0.06 3.75 0.00 -0.96 -2.36 105.19 103.52 1hqi n GLY 58 Ca -0.09 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.11 2.97 0.27 1.61 0.63 0.65 -4.65 116.66 117.04 1hqi n ARG 59 Ca 0.14 -1.56 0.11 0.00 -0.92 0.00 0.00 57.85 55.61 1hqi n ARG 59 Cb 0.11 -1.03 0.74 0.00 0.45 0.00 0.00 32.46 32.73 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 0.18 1.67 -0.45 5.13 0.00 0.48 -0.99 119.26 125.27 1hqi h ALA 60 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 1hqi h ALA 60 Cb 0.53 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.18 1hqi h ALA 60 CO 0.00 0.06 0.28 1.87 0.00 0.00 0.00 179.25 181.45 1hqi n TRP 61 N -4.11 1.40 0.11 0.00 -0.00 -1.26 -3.81 117.44 109.77 1hqi n TRP 61 Ca -0.03 -1.06 0.05 0.00 -0.00 0.00 0.00 57.50 56.47 1hqi n TRP 61 Cb 0.13 -0.55 0.10 0.00 -0.00 0.00 0.00 31.31 30.99 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 -0.22 2.45 -0.03 5.87 2.03 -0.38 -4.59 116.55 121.68 1hqi n ASP 62 Ca 0.27 -1.75 -0.13 0.00 0.52 0.00 0.00 54.79 53.69 1hqi n ASP 62 Cb 1.02 -0.12 -0.11 0.00 -0.72 0.00 0.00 41.12 41.19 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 2.05 1.50 -0.61 5.18 2.07 -1.77 -1.38 116.25 123.29 1hqi h VAL 63 Ca 0.00 -1.52 0.12 0.00 0.82 0.00 0.00 66.70 66.12 1hqi h VAL 63 Cb 0.60 2.49 -0.10 0.00 -1.52 0.00 0.00 31.29 32.76 1hqi h VAL 63 CO 0.00 0.40 0.02 1.56 0.02 0.00 0.00 177.57 179.57 1hqi h GLN 64 N -0.57 0.13 0.00 1.57 1.08 -1.89 0.50 115.11 115.93 1hqi h GLN 64 Ca -0.00 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1hqi h GLN 64 Cb 0.68 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1hqi h GLN 64 CO 0.01 0.09 -0.30 0.93 -0.95 0.00 0.00 178.83 178.61 1hqi h GLU 65 N 0.14 0.00 0.00 1.46 4.39 -1.84 -2.46 114.58 116.27 1hqi h GLU 65 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1hqi h GLU 65 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1hqi h GLU 65 CO -0.50 0.30 -0.08 -1.33 -1.16 0.00 0.00 179.01 176.23 1hqi n MET 66 N -3.48 0.13 0.12 2.33 2.81 0.14 -3.19 117.12 115.98 1hqi n MET 66 Ca -0.00 0.09 0.07 0.00 -1.81 0.00 0.00 57.70 56.06 1hqi n MET 66 Cb 0.46 -1.64 0.02 0.00 -0.71 0.00 0.00 33.22 31.35 1hqi n MET 66 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1hqi h LEU 67 N 0.00 0.00 -1.61 4.03 5.85 0.02 -3.31 115.31 120.29 1hqi h LEU 67 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1hqi h LEU 67 Cb 0.62 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1hqi h LEU 67 CO 0.00 0.22 0.29 0.58 -0.34 0.00 0.00 178.44 179.19 1hqi h VAL 68 N 0.00 1.06 -3.69 1.05 2.07 -1.53 -3.28 116.25 111.93 1hqi h VAL 68 Ca -0.04 -0.18 -0.79 0.00 0.82 0.00 0.00 66.70 66.51 1hqi h VAL 68 Cb 1.20 0.50 -0.26 0.00 -1.52 0.00 0.00 31.29 31.21 1hqi h VAL 68 CO 0.02 0.09 0.24 -1.81 0.02 0.00 0.00 177.57 176.14 1hqi s ASP 69 N -6.60 6.94 -0.10 0.57 1.01 -1.23 -3.60 116.67 113.66 1hqi s ASP 69 Ca -0.08 -2.97 -0.05 0.00 0.71 0.00 0.00 52.55 50.16 1hqi s ASP 69 Cb 0.18 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 1hqi s ASP 69 CO 0.73 -0.50 0.10 0.54 0.21 0.00 0.00 175.17 176.26 1hqi s VAL 70 N -0.21 5.17 0.00 -1.27 0.11 -0.91 -3.82 120.40 119.47 1hqi s VAL 70 Ca 0.23 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 1hqi s VAL 70 Cb -0.10 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.50 1hqi s VAL 70 CO -0.09 0.59 0.00 -0.38 -3.33 0.00 0.00 175.10 171.89 1hqi n ILE 71 N 1.93 0.00 -3.78 7.04 2.08 -1.26 0.16 119.36 125.52 1hqi n ILE 71 Ca -0.19 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.08 1hqi n ILE 71 Cb 0.54 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.43 1hqi n ILE 71 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1hqi s THR 72 N 0.00 0.00 0.15 1.39 2.01 -0.31 -4.80 115.64 114.08 1hqi s THR 72 Ca 0.00 -0.70 -0.24 0.00 0.31 0.00 0.00 61.69 61.05 1hqi s THR 72 Cb 0.00 -2.15 0.06 0.00 0.01 0.00 0.00 72.50 70.42 1hqi s THR 72 CO 0.00 0.00 0.81 -0.63 -0.69 0.00 0.00 174.62 174.11 1hqi s ILE 73 N -3.15 0.00 0.00 1.82 1.01 -1.26 -1.63 121.20 117.99 1hqi s ILE 73 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1hqi s ILE 73 Cb -0.02 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1hqi s ILE 73 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1hqi n GLY 74 N -0.40 -0.22 0.00 6.18 0.00 1.04 -4.61 105.19 107.18 1hqi n GLY 74 Ca -0.08 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.19 1.59 -0.02 0.00 -1.25 -0.95 105.19 104.76 1hqi n GLY 75 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.52 0.00 1.61 5.15 -1.26 -4.90 115.26 115.34 1hqi n ASN 76 Ca 0.00 -1.15 0.00 0.00 -0.60 0.00 0.00 54.58 52.83 1hqi n ASN 76 Cb 0.00 0.82 0.00 0.00 -0.53 0.00 0.00 39.78 40.07 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 -0.36 0.00 -3.83 3.44 3.14 -1.26 -4.73 118.33 114.73 1hqi n VAL 77 Ca 0.01 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.03 1hqi n VAL 77 Cb 0.23 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.96 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 6.45 0.04 6.55 1.01 -1.25 -5.03 116.67 124.44 1hqi s ASP 78 Ca 0.00 0.52 0.06 0.00 0.71 0.00 0.00 52.55 53.84 1hqi s ASP 78 Cb 0.00 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.83 1hqi s ASP 78 CO 0.00 0.36 -0.18 -0.70 0.21 0.00 0.00 175.17 174.86 1hqi s GLU 79 N -1.28 1.17 0.00 8.23 2.12 -1.26 -1.77 118.70 125.91 1hqi s GLU 79 Ca 0.20 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.67 1hqi s GLU 79 Cb -0.13 -1.24 0.00 0.00 0.26 0.00 0.00 34.13 33.03 1hqi s GLU 79 CO 0.09 0.31 0.00 -3.47 -0.54 0.00 0.00 175.26 171.65 1hqi n ASP 80 N 1.88 0.00 0.00 -1.70 2.03 -1.26 -4.99 116.55 112.51 1hqi n ASP 80 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1hqi n ASP 80 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1hqi n ASP 80 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1hqi n ASP 81 N 0.00 0.00 -0.03 1.67 9.92 -1.26 -4.86 116.55 121.99 1hqi n ASP 81 Ca 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.31 1hqi n ASP 81 Cb 0.00 -0.11 -0.05 0.00 -0.64 0.00 0.00 41.12 40.31 1hqi n ASP 81 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1hqi n ASP 82 N -1.71 0.59 -1.26 -2.24 5.75 -1.26 -4.99 116.55 111.43 1hqi n ASP 82 Ca 0.00 -0.79 0.00 0.00 -0.01 0.00 0.00 54.79 53.99 1hqi n ASP 82 Cb 0.00 0.94 0.00 0.00 -1.03 0.00 0.00 41.12 41.03 1hqi n ASP 82 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1hqi n ARG 83 N -1.14 2.09 -3.59 0.11 0.63 -1.26 -3.66 116.66 109.84 1hqi n ARG 83 Ca 0.02 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.85 1hqi n ARG 83 Cb 0.17 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.03 1hqi n ARG 83 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 1hqi s PHE 84 N 1.13 -0.36 0.39 -0.14 2.19 -0.77 -4.17 117.98 116.26 1hqi s PHE 84 Ca 0.00 0.65 0.05 0.00 0.33 0.00 0.00 56.93 57.96 1hqi s PHE 84 Cb 0.00 0.44 -0.02 0.00 -1.31 0.00 0.00 43.02 42.13 1hqi s PHE 84 CO 0.00 -0.31 0.19 0.54 1.83 0.00 0.00 175.22 177.47 1hqi s VAL 85 N -0.96 0.33 -0.43 3.12 0.11 -0.73 -1.11 120.40 120.73 1hqi s VAL 85 Ca -0.01 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.04 1hqi s VAL 85 Cb -0.01 -2.36 0.00 0.00 -1.53 0.00 0.00 36.38 32.48 1hqi s VAL 85 CO 0.00 0.00 0.00 -0.11 -3.33 0.00 0.00 175.10 171.66 1hqi n LEU 86 N -0.84 0.00 0.00 2.54 -0.00 -0.98 -3.87 117.00 113.85 1hqi n LEU 86 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1hqi n LEU 86 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.06 1hqi n LEU 86 CO 0.34 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 177.11 1hqi n GLU 87 N 0.00 2.78 -1.17 1.96 1.02 -1.26 0.93 120.64 124.90 1hqi n GLU 87 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 1hqi n GLU 87 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1hqi n GLU 87 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1hqi n TRP 88 N 0.00 -3.18 -4.13 -0.32 -0.00 -0.93 -3.95 117.44 104.93 1hqi n TRP 88 Ca 0.00 0.27 -0.31 0.00 -0.00 0.00 0.00 57.50 57.47 1hqi n TRP 88 Cb 0.00 -1.66 -0.08 0.00 -0.00 0.00 0.00 31.31 29.58 1hqi n TRP 88 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1hqi s LYS 89 N -1.72 2.72 0.00 5.87 2.20 -1.26 -4.95 119.74 122.60 1hqi s LYS 89 Ca 0.53 -0.73 0.27 0.00 -0.36 0.00 0.00 55.97 55.68 1hqi s LYS 89 Cb -0.36 -2.64 1.62 0.00 -1.51 0.00 0.00 37.83 34.94 1hqi s LYS 89 CO 0.70 0.57 1.97 -1.71 -0.36 0.00 0.00 175.35 176.52