#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqk s GLN 2 N 0.00 4.45 -0.14 2.12 -0.21 -1.26 -5.05 119.66 119.57 1hqk s GLN 2 Ca 0.00 0.93 0.01 0.00 0.02 0.00 0.00 55.36 56.32 1hqk s GLN 2 Cb 0.00 -3.44 0.02 0.00 1.00 0.00 0.00 33.01 30.59 1hqk s GLN 2 CO 0.00 0.08 -0.16 0.42 -2.12 0.00 0.00 175.29 173.51 1hqk s ILE 3 N 0.72 1.66 -0.10 1.08 1.01 -1.26 -5.12 121.20 119.19 1hqk s ILE 3 Ca 0.38 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1hqk s ILE 3 Cb -0.18 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1hqk s ILE 3 CO 0.19 0.47 -0.11 -0.31 0.00 0.00 0.00 174.94 175.19 1hqk s TYR 4 N 1.25 2.85 0.14 3.97 1.51 -1.26 -5.12 117.35 120.69 1hqk s TYR 4 Ca 0.00 -0.35 -0.16 0.00 -1.01 0.00 0.00 57.07 55.56 1hqk s TYR 4 Cb -0.14 -1.79 0.03 0.00 -0.11 0.00 0.00 41.96 39.96 1hqk s TYR 4 CO -0.07 0.01 0.42 -1.83 -1.11 0.00 0.00 175.55 172.97 1hqk s GLU 5 N -0.11 1.13 -0.14 -0.62 -1.05 -1.26 -5.11 118.70 111.54 1hqk s GLU 5 Ca -0.00 -0.75 -0.05 0.00 -0.15 0.00 0.00 54.97 54.02 1hqk s GLU 5 Cb -0.13 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 34.00 1hqk s GLU 5 CO 0.03 -0.45 0.02 0.20 0.95 0.00 0.00 175.26 176.02 1hqk s GLY 6 N -2.82 1.86 1.06 -3.83 0.00 -1.26 -4.44 107.32 97.89 1hqk s GLY 6 Ca 0.04 -0.78 -0.17 0.00 0.00 0.00 0.00 44.72 43.82 1hqk s GLY 6 CO -0.10 -0.19 1.23 -1.59 0.00 0.00 0.00 173.10 172.45 1hqk s LYS 7 N -0.10 -0.10 -0.06 2.90 -2.85 -1.26 -4.85 119.74 113.42 1hqk s LYS 7 Ca 0.05 -0.25 0.12 0.00 -1.00 0.00 0.00 55.97 54.89 1hqk s LYS 7 Cb -0.12 -1.74 0.35 0.00 -2.06 0.00 0.00 37.83 34.25 1hqk s LYS 7 CO 0.02 -2.93 1.28 1.28 0.10 0.00 0.00 175.35 175.10 1hqk n LEU 8 N -4.17 3.14 -4.76 2.77 4.77 -1.26 -4.10 117.00 113.39 1hqk n LEU 8 Ca 0.14 -2.38 -0.39 0.00 -0.03 0.00 0.00 56.01 53.35 1hqk n LEU 8 Cb 0.59 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1hqk n LEU 8 CO 0.46 0.69 0.36 0.42 -1.33 0.00 0.00 177.39 177.99 1hqk s THR 9 N -1.68 4.83 -0.60 -5.08 -4.23 -1.26 -4.87 115.64 102.75 1hqk s THR 9 Ca 0.28 1.38 0.14 0.00 -1.18 0.00 0.00 61.69 62.31 1hqk s THR 9 Cb 0.19 -4.00 0.45 0.00 1.34 0.00 0.00 72.50 70.49 1hqk s THR 9 CO 0.12 0.40 1.37 0.00 -0.54 0.00 0.00 174.62 175.97 1hqk n ALA 10 N 2.71 2.65 -1.66 3.99 0.00 0.66 -4.97 120.51 123.90 1hqk n ALA 10 Ca -0.05 -1.72 -0.48 0.00 0.00 0.00 0.00 53.44 51.19 1hqk n ALA 10 Cb 0.51 -0.62 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 1hqk n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1hqk n GLU 11 N 0.12 1.93 -0.61 0.00 2.13 -1.24 -1.50 120.64 121.47 1hqk n GLU 11 Ca 0.18 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1hqk n GLU 11 Cb 0.69 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.95 1hqk n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hqk n GLY 12 N 3.40 1.66 3.79 8.31 0.00 -1.26 -4.99 105.19 116.09 1hqk n GLY 12 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1hqk n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hqk s LEU 13 N 0.00 4.22 -0.15 0.99 1.43 -0.56 -5.06 118.68 119.56 1hqk s LEU 13 Ca 0.00 1.78 0.01 0.00 -1.03 0.00 0.00 54.13 54.89 1hqk s LEU 13 Cb 0.00 -4.15 0.02 0.00 0.03 0.00 0.00 46.19 42.09 1hqk s LEU 13 CO 0.00 -0.15 -0.19 -0.13 0.23 0.00 0.00 176.35 176.11 1hqk s ARG 14 N -2.38 2.75 0.01 1.70 0.52 -1.26 -4.59 118.95 115.71 1hqk s ARG 14 Ca 0.53 -0.75 0.07 0.00 -0.52 0.00 0.00 55.73 55.07 1hqk s ARG 14 Cb -0.16 -2.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.95 1hqk s ARG 14 CO 0.21 -0.13 -0.21 -0.06 0.02 0.00 0.00 175.30 175.12 1hqk s PHE 15 N 1.14 2.49 -0.13 -0.53 0.40 -0.64 -0.28 117.98 120.42 1hqk s PHE 15 Ca -0.00 -0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 55.98 1hqk s PHE 15 Cb -0.14 -1.49 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 1hqk s PHE 15 CO -0.07 0.15 0.02 0.20 0.70 0.00 0.00 175.22 176.22 1hqk s GLY 16 N -1.09 1.86 -0.15 4.36 0.00 -0.52 -0.80 107.32 110.98 1hqk s GLY 16 Ca 0.12 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 44.08 1hqk s GLY 16 CO 0.02 -0.27 -0.19 -0.42 0.00 0.00 0.00 173.10 172.24 1hqk s ILE 17 N -0.27 2.29 -0.24 0.90 1.01 0.64 -0.11 121.20 125.43 1hqk s ILE 17 Ca 0.07 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 1hqk s ILE 17 Cb -0.12 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 1hqk s ILE 17 CO 0.02 0.53 0.01 -0.69 0.00 0.00 0.00 174.94 174.81 1hqk s VAL 18 N 0.91 3.74 -0.06 2.92 1.01 -0.48 -0.44 120.40 128.00 1hqk s VAL 18 Ca -0.04 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1hqk s VAL 18 Cb -0.15 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.49 1hqk s VAL 18 CO -0.03 0.36 -0.12 0.00 0.00 0.00 0.00 175.10 175.31 1hqk s ALA 19 N 1.53 1.21 0.71 5.51 0.00 -0.24 -0.55 121.76 129.92 1hqk s ALA 19 Ca 0.06 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 1hqk s ALA 19 Cb -0.15 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1hqk s ALA 19 CO -0.00 0.12 1.08 -1.54 0.00 0.00 0.00 175.76 175.42 1hqk s SER 20 N 0.60 5.39 0.01 0.00 1.04 -0.82 -2.01 113.70 117.91 1hqk s SER 20 Ca -0.13 1.29 0.20 0.00 0.48 0.00 0.00 55.95 57.79 1hqk s SER 20 Cb -0.15 -2.13 -0.20 0.00 0.10 0.00 0.00 66.02 63.64 1hqk s SER 20 CO 0.03 -1.39 0.61 0.54 0.98 0.00 0.00 173.24 174.01 1hqk n ARG 21 N -3.06 0.64 -2.05 4.02 1.74 0.18 -4.81 116.66 113.32 1hqk n ARG 21 Ca 0.07 0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.76 1hqk n ARG 21 Cb 0.56 -1.66 -0.01 0.00 -1.02 0.00 0.00 32.46 30.33 1hqk n ARG 21 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1hqk s PHE 22 N -3.15 2.88 -1.40 -1.55 5.36 -0.61 -1.60 117.98 117.91 1hqk s PHE 22 Ca -0.06 1.39 -0.09 0.00 -0.96 0.00 0.00 56.93 57.21 1hqk s PHE 22 Cb 0.10 -3.71 0.02 0.00 -0.34 0.00 0.00 43.02 39.10 1hqk s PHE 22 CO 0.85 -2.09 1.11 0.09 -1.46 0.00 0.00 175.22 173.72 1hqk n ASN 23 N 0.40 -6.16 0.28 6.13 3.02 -1.26 -4.52 115.26 113.14 1hqk n ASN 23 Ca 0.02 -0.55 0.12 0.00 -0.03 0.00 0.00 54.58 54.14 1hqk n ASN 23 Cb 0.42 -4.86 0.80 0.00 -0.61 0.00 0.00 39.78 35.53 1hqk n ASN 23 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 1hqk h HIS 24 N -2.52 0.00 0.00 3.10 2.07 -1.61 -0.04 115.15 116.14 1hqk h HIS 24 Ca -0.57 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 56.93 1hqk h HIS 24 Cb 1.37 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.35 1hqk h HIS 24 CO 0.51 0.03 -0.10 0.00 -3.07 0.00 0.00 177.93 175.30 1hqk h ALA 25 N 1.97 1.66 0.03 6.11 0.00 -1.90 0.19 119.26 127.33 1hqk h ALA 25 Ca -0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 1hqk h ALA 25 Cb 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1hqk h ALA 25 CO 0.00 0.12 -1.71 1.28 0.00 0.00 0.00 179.25 178.94 1hqk n LEU 26 N -4.16 2.14 -0.34 0.00 4.77 -0.16 -4.22 117.00 115.03 1hqk n LEU 26 Ca -0.03 0.32 0.01 0.00 -0.03 0.00 0.00 56.01 56.28 1hqk n LEU 26 Cb 0.18 -0.98 0.14 0.00 -2.33 0.00 0.00 43.42 40.43 1hqk n LEU 26 CO 0.33 0.51 1.23 0.58 -1.33 0.00 0.00 177.39 178.72 1hqk h VAL 27 N -0.66 1.10 0.00 4.08 2.07 -0.92 -1.35 116.25 120.57 1hqk h VAL 27 Ca -0.44 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1hqk h VAL 27 Cb 1.58 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1hqk h VAL 27 CO -0.16 0.20 -0.07 0.44 0.02 0.00 0.00 177.57 178.00 1hqk h ASP 28 N 1.11 0.00 -0.25 0.57 3.32 -0.83 0.01 116.42 120.35 1hqk h ASP 28 Ca 0.39 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.29 1hqk h ASP 28 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1hqk h ASP 28 CO -0.15 0.07 -0.40 0.03 -1.72 0.00 0.00 179.24 177.06 1hqk h ARG 29 N 0.00 0.80 -0.76 3.56 2.47 -1.42 -1.94 114.38 117.07 1hqk h ARG 29 Ca -0.00 -0.42 -0.01 0.00 -1.26 0.00 0.00 59.98 58.29 1hqk h ARG 29 Cb 0.13 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.43 1hqk h ARG 29 CO 0.01 1.05 0.43 -0.07 0.56 0.00 0.00 179.97 181.95 1hqk h LEU 30 N 0.65 0.95 -0.57 3.04 3.38 -0.99 -1.25 115.31 120.52 1hqk h LEU 30 Ca 0.05 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1hqk h LEU 30 Cb 0.97 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1hqk h LEU 30 CO 0.09 0.77 0.22 0.58 0.09 0.00 0.00 178.44 180.19 1hqk h VAL 31 N 1.06 1.22 -0.71 1.22 2.07 -0.99 0.32 116.25 120.44 1hqk h VAL 31 Ca 0.27 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 67.14 1hqk h VAL 31 Cb 0.02 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1hqk h VAL 31 CO -0.04 0.27 0.42 -0.33 0.02 0.00 0.00 177.57 177.91 1hqk h GLU 32 N 0.78 0.77 -0.44 1.57 5.08 -1.12 -1.28 114.58 119.94 1hqk h GLU 32 Ca 0.19 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1hqk h GLU 32 Cb 0.20 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1hqk h GLU 32 CO -0.02 0.51 0.03 0.78 -1.00 0.00 0.00 179.01 179.32 1hqk h GLY 33 N 0.79 0.81 1.04 -3.84 0.00 -0.84 -0.95 103.07 100.09 1hqk h GLY 33 Ca 0.30 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1hqk h GLY 33 CO -0.15 0.52 0.26 0.00 0.00 0.00 0.00 176.54 177.17 1hqk h ALA 34 N 0.92 0.95 -0.36 3.60 0.00 -0.42 -1.02 119.26 122.93 1hqk h ALA 34 Ca 0.13 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1hqk h ALA 34 Cb 0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1hqk h ALA 34 CO 0.02 0.61 -0.15 0.82 0.00 0.00 0.00 179.25 180.54 1hqk h ILE 35 N 1.06 1.28 -0.32 0.00 2.04 -1.13 -1.31 117.51 119.13 1hqk h ILE 35 Ca 0.24 -1.26 0.01 0.00 1.00 0.00 0.00 64.86 64.85 1hqk h ILE 35 Cb 0.26 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1hqk h ILE 35 CO -0.01 0.42 0.19 -0.78 0.00 0.00 0.00 178.15 177.96 1hqk h ASP 36 N 0.53 0.31 -0.46 1.72 3.58 -1.05 0.59 116.42 121.64 1hqk h ASP 36 Ca 0.08 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.58 1hqk h ASP 36 Cb 0.69 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.63 1hqk h ASP 36 CO 0.05 0.23 0.20 0.00 -2.88 0.00 0.00 179.24 176.84 1hqk h ILE 38 N 0.40 0.67 -0.67 0.00 2.04 -0.71 -2.45 117.51 116.78 1hqk h ILE 38 Ca 0.21 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.89 1hqk h ILE 38 Cb 0.16 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1hqk h ILE 38 CO -0.17 0.02 0.11 0.58 0.00 0.00 0.00 178.15 178.68 1hqk h VAL 39 N -0.52 1.26 -0.00 1.67 2.07 -0.72 -0.56 116.25 119.44 1hqk h VAL 39 Ca -0.05 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1hqk h VAL 39 Cb 0.39 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1hqk h VAL 39 CO 0.08 0.39 -0.06 0.54 0.02 0.00 0.00 177.57 178.55 1hqk n ARG 40 N -4.21 0.33 -0.17 1.57 1.74 -0.10 -1.48 116.66 114.34 1hqk n ARG 40 Ca 0.04 -0.05 0.08 0.00 -0.77 0.00 0.00 57.85 57.15 1hqk n ARG 40 Cb 0.30 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.46 1hqk n ARG 40 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1hqk n HIS 41 N -1.29 0.44 -0.17 -1.55 8.25 -0.92 -4.93 115.22 115.05 1hqk n HIS 41 Ca 0.12 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1hqk n HIS 41 Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1hqk n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hqk n GLY 42 N 1.14 0.60 3.81 -1.41 0.00 -0.55 -0.25 105.19 108.53 1hqk n GLY 42 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1hqk n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hqk s GLY 43 N -1.20 2.40 0.11 -0.02 0.00 -0.26 -3.64 107.32 104.71 1hqk s GLY 43 Ca 0.00 0.51 -0.14 0.00 0.00 0.00 0.00 44.72 45.08 1hqk s GLY 43 CO 0.00 0.81 0.51 0.50 0.00 0.00 0.00 173.10 174.93 1hqk s ARG 44 N -3.39 3.98 0.37 2.90 0.52 -1.26 -4.17 118.95 117.90 1hqk s ARG 44 Ca 0.65 0.48 0.08 0.00 -0.52 0.00 0.00 55.73 56.42 1hqk s ARG 44 Cb -0.14 -3.02 0.73 0.00 0.52 0.00 0.00 34.95 33.03 1hqk s ARG 44 CO 0.21 0.54 1.91 1.05 0.02 0.00 0.00 175.30 179.03 1hqk h GLU 45 N 3.87 0.34 0.00 3.54 -0.00 -1.95 -1.20 114.58 119.17 1hqk h GLU 45 Ca -0.49 -0.07 -0.00 0.00 -0.00 0.00 0.00 59.36 58.79 1hqk h GLU 45 Cb 1.20 -0.05 -0.00 0.00 -0.00 0.00 0.00 28.75 29.90 1hqk h GLU 45 CO 0.65 0.43 -0.00 0.93 -0.00 0.00 0.00 179.01 181.02 1hqk h GLU 46 N 0.32 0.00 -0.61 1.06 3.07 -2.00 -1.63 114.58 114.79 1hqk h GLU 46 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1hqk h GLU 46 Cb 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1hqk h GLU 46 CO 0.02 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.38 1hqk n ASP 47 N -3.13 3.57 -4.82 1.42 8.00 -0.46 -4.83 116.55 116.30 1hqk n ASP 47 Ca -0.03 -2.19 -0.36 0.00 0.71 0.00 0.00 54.79 52.92 1hqk n ASP 47 Cb 0.10 -0.46 -0.07 0.00 -0.02 0.00 0.00 41.12 40.67 1hqk n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1hqk s ILE 48 N -1.51 5.47 -0.19 0.53 1.01 -0.62 -1.63 121.20 124.27 1hqk s ILE 48 Ca 0.41 0.21 -0.02 0.00 0.00 0.00 0.00 60.65 61.24 1hqk s ILE 48 Cb 0.24 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 1hqk s ILE 48 CO 0.23 0.55 -0.09 -0.89 0.00 0.00 0.00 174.94 174.74 1hqk s THR 49 N -0.51 3.07 -0.22 2.92 2.01 0.02 -4.98 115.64 117.96 1hqk s THR 49 Ca 0.12 -0.61 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 1hqk s THR 49 Cb -0.12 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 1hqk s THR 49 CO 0.02 0.47 0.07 -0.22 -0.69 0.00 0.00 174.62 174.26 1hqk s LEU 50 N 1.15 3.62 -0.14 4.42 2.96 -1.26 -0.26 118.68 129.17 1hqk s LEU 50 Ca 0.01 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1hqk s LEU 50 Cb -0.14 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 1hqk s LEU 50 CO -0.03 0.07 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.23 1hqk s VAL 51 N 1.01 2.78 -0.12 1.68 1.01 0.41 -4.97 120.40 122.21 1hqk s VAL 51 Ca 0.04 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1hqk s VAL 51 Cb -0.14 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1hqk s VAL 51 CO 0.03 0.52 0.13 -0.13 0.00 0.00 0.00 175.10 175.65 1hqk s ARG 52 N 0.54 3.44 0.24 2.72 0.52 -1.26 -1.08 118.95 124.07 1hqk s ARG 52 Ca -0.10 -0.15 0.03 0.00 -0.52 0.00 0.00 55.73 54.99 1hqk s ARG 52 Cb -0.16 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.09 1hqk s ARG 52 CO 0.04 0.75 0.02 0.14 0.02 0.00 0.00 175.30 176.27 1hqk s VAL 53 N -0.95 0.94 -0.02 3.52 -7.23 -0.85 -4.94 120.40 110.86 1hqk s VAL 53 Ca 0.15 -2.02 -0.23 0.00 -1.81 0.00 0.00 61.98 58.06 1hqk s VAL 53 Cb -0.12 -2.44 -0.20 0.00 0.56 0.00 0.00 36.38 34.19 1hqk s VAL 53 CO 0.04 -0.24 1.18 -0.65 -0.31 0.00 0.00 175.10 175.12 1hqk h PRO 54 N 2.43 0.19 -4.82 4.82 0.10 -1.94 0.53 132.00 133.31 1hqk h PRO 54 Ca -0.38 -0.14 -0.41 0.00 0.10 0.00 0.00 66.00 65.17 1hqk h PRO 54 Cb 1.23 0.02 -0.14 0.00 0.10 0.00 0.00 31.00 32.22 1hqk h PRO 54 CO 0.64 0.76 -0.53 0.20 0.10 0.00 0.00 178.00 179.17 1hqk s GLY 55 N -3.59 2.08 0.35 -0.55 0.00 -1.26 -1.58 107.32 102.77 1hqk s GLY 55 Ca -0.15 -1.93 0.05 0.00 0.00 0.00 0.00 44.72 42.69 1hqk s GLY 55 CO 0.73 -1.47 1.88 1.76 0.00 0.00 0.00 173.10 176.00 1hqk h SER 56 N 2.27 0.43 -0.99 1.64 0.02 -1.92 -2.36 113.55 112.64 1hqk h SER 56 Ca -0.29 -0.08 0.22 0.00 -0.84 0.00 0.00 61.79 60.80 1hqk h SER 56 Cb 1.24 -0.11 -0.12 0.00 0.14 0.00 0.00 62.40 63.55 1hqk h SER 56 CO 0.42 0.52 0.58 -0.25 -1.14 0.00 0.00 176.83 176.96 1hqk h TRP 57 N 0.44 0.99 -0.00 3.45 2.91 -1.96 -0.85 115.95 120.93 1hqk h TRP 57 Ca 0.09 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.15 1hqk h TRP 57 Cb 0.34 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.70 1hqk h TRP 57 CO 0.01 0.13 -0.08 0.39 -1.03 0.00 0.00 178.44 177.86 1hqk n GLU 58 N -4.85 0.47 -0.04 2.65 4.71 -0.89 -4.22 120.64 118.47 1hqk n GLU 58 Ca 0.25 -0.11 -0.09 0.00 -0.01 0.00 0.00 57.16 57.20 1hqk n GLU 58 Cb 0.65 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.56 1hqk n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1hqk h ILE 59 N 0.26 0.91 -0.26 -3.67 2.04 -1.14 -3.15 117.51 112.51 1hqk h ILE 59 Ca 0.00 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1hqk h ILE 59 Cb 0.36 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1hqk h ILE 59 CO 0.00 0.02 0.04 -0.65 0.00 0.00 0.00 178.15 177.56 1hqk h PRO 60 N 0.12 0.13 -0.42 2.37 0.11 -1.76 0.13 132.00 132.67 1hqk h PRO 60 Ca 0.09 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 1hqk h PRO 60 Cb 0.08 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1hqk h PRO 60 CO -0.12 0.08 -0.08 -0.24 -0.21 0.00 0.00 178.00 177.43 1hqk h VAL 61 N 0.13 1.25 -0.40 3.15 3.04 -1.83 0.14 116.25 121.73 1hqk h VAL 61 Ca 0.12 -1.10 -0.11 0.00 -1.01 0.00 0.00 66.70 64.60 1hqk h VAL 61 Cb 0.13 1.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.41 1hqk h VAL 61 CO -0.17 0.38 -0.19 0.00 -1.01 0.00 0.00 177.57 176.58 1hqk h ALA 62 N 1.23 0.92 -0.22 3.17 0.00 -1.47 -3.00 119.26 119.90 1hqk h ALA 62 Ca 0.12 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1hqk h ALA 62 Cb 0.54 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1hqk h ALA 62 CO 0.03 0.62 -0.27 0.00 0.00 0.00 0.00 179.25 179.63 1hqk h ALA 63 N 1.11 1.14 -0.50 0.00 0.00 0.12 -1.89 119.26 119.25 1hqk h ALA 63 Ca 0.10 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1hqk h ALA 63 Cb 0.68 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1hqk h ALA 63 CO 0.05 0.54 0.10 0.78 0.00 0.00 0.00 179.25 180.73 1hqk h GLY 64 N 1.03 0.82 0.81 0.00 0.00 -0.69 0.23 103.07 105.27 1hqk h GLY 64 Ca 0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1hqk h GLY 64 CO 0.05 0.45 -0.07 0.83 0.00 0.00 0.00 176.54 177.79 1hqk h GLU 65 N 0.74 0.42 -0.51 4.80 4.39 -1.29 -2.87 114.58 120.25 1hqk h GLU 65 Ca 0.16 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1hqk h GLU 65 Cb 0.30 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1hqk h GLU 65 CO 0.00 0.68 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.40 1hqk h LEU 66 N 0.13 0.90 -1.55 1.33 3.38 -1.11 -2.81 115.31 115.58 1hqk h LEU 66 Ca 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1hqk h LEU 66 Cb 0.54 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1hqk h LEU 66 CO 0.02 0.99 -0.11 0.00 0.09 0.00 0.00 178.44 179.44 1hqk h ALA 67 N 1.09 1.07 0.00 1.53 0.00 -0.57 -2.19 119.26 120.19 1hqk h ALA 67 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1hqk h ALA 67 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1hqk h ALA 67 CO 0.03 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1hqk h ARG 68 N 0.00 0.00 -6.61 0.00 3.08 -1.26 -3.45 114.38 106.14 1hqk h ARG 68 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1hqk h ARG 68 Cb 0.52 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.61 1hqk h ARG 68 CO 0.01 0.00 0.84 0.15 -1.07 0.00 0.00 179.97 179.91 1hqk s LYS 69 N -3.25 4.24 0.47 0.04 1.02 -0.82 -4.91 119.74 116.52 1hqk s LYS 69 Ca 0.07 2.31 0.20 0.00 0.02 0.00 0.00 55.97 58.57 1hqk s LYS 69 Cb 0.09 -3.17 1.16 0.00 -0.52 0.00 0.00 37.83 35.40 1hqk s LYS 69 CO 0.57 -0.56 2.00 1.49 -0.92 0.00 0.00 175.35 177.93 1hqk h GLU 70 N 6.64 0.00 -0.66 1.68 4.22 -1.89 -2.42 114.58 122.15 1hqk h GLU 70 Ca -0.43 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 58.98 1hqk h GLU 70 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1hqk h GLU 70 CO 0.89 0.19 0.05 -0.40 -2.18 0.00 0.00 179.01 177.55 1hqk n ASP 71 N -3.94 5.09 -4.28 1.04 5.75 -1.26 -4.79 116.55 114.16 1hqk n ASP 71 Ca -0.02 -2.87 -0.34 0.00 -0.01 0.00 0.00 54.79 51.55 1hqk n ASP 71 Cb 0.27 -0.68 -0.14 0.00 -1.03 0.00 0.00 41.12 39.54 1hqk n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1hqk s ILE 72 N -2.59 3.02 -0.10 2.12 -1.09 -0.91 -4.77 121.20 116.88 1hqk s ILE 72 Ca 0.48 -0.63 0.15 0.00 -2.23 0.00 0.00 60.65 58.43 1hqk s ILE 72 Cb 0.37 -2.33 -0.09 0.00 -1.58 0.00 0.00 42.46 38.83 1hqk s ILE 72 CO 0.14 0.47 1.04 0.44 -1.23 0.00 0.00 174.94 175.80 1hqk h ASP 73 N 7.76 0.00 -4.81 3.58 3.32 -0.95 -3.47 116.42 121.85 1hqk h ASP 73 Ca -0.39 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 1hqk h ASP 73 Cb 1.17 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.54 1hqk h ASP 73 CO 0.60 0.64 0.29 0.00 -1.72 0.00 0.00 179.24 179.05 1hqk s ALA 74 N -2.88 -1.77 -0.06 3.45 0.00 -1.20 -4.47 121.76 114.84 1hqk s ALA 74 Ca -0.01 1.16 0.04 0.00 0.00 0.00 0.00 51.96 53.15 1hqk s ALA 74 Cb 0.08 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 1hqk s ALA 74 CO 0.79 -0.48 -0.18 0.08 0.00 0.00 0.00 175.76 175.98 1hqk s VAL 75 N -1.92 2.71 -0.25 0.00 1.01 -0.72 -1.44 120.40 119.80 1hqk s VAL 75 Ca -0.05 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 1hqk s VAL 75 Cb -0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1hqk s VAL 75 CO 0.02 0.58 0.01 -0.63 0.00 0.00 0.00 175.10 175.07 1hqk s ILE 76 N -0.44 3.71 -0.16 2.22 1.01 0.84 -0.39 121.20 127.98 1hqk s ILE 76 Ca 0.05 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.08 1hqk s ILE 76 Cb -0.12 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 1hqk s ILE 76 CO 0.02 0.32 0.30 0.00 0.00 0.00 0.00 174.94 175.57 1hqk s ALA 77 N 1.51 3.58 -0.08 9.38 0.00 -0.66 -1.39 121.76 134.11 1hqk s ALA 77 Ca 0.05 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1hqk s ALA 77 Cb -0.15 -2.41 0.02 0.00 0.00 0.00 0.00 23.12 20.57 1hqk s ALA 77 CO -0.00 0.06 -0.10 0.42 0.00 0.00 0.00 175.76 176.13 1hqk s ILE 78 N 0.54 1.06 0.09 0.00 1.01 0.28 0.26 121.20 124.45 1hqk s ILE 78 Ca 0.17 -0.39 -0.27 0.00 0.00 0.00 0.00 60.65 60.16 1hqk s ILE 78 Cb -0.13 -1.01 0.09 0.00 0.01 0.00 0.00 42.46 41.41 1hqk s ILE 78 CO 0.04 0.35 1.10 -0.83 0.00 0.00 0.00 174.94 175.61 1hqk s GLY 79 N 1.02 -0.25 -0.17 6.18 0.00 -1.11 -1.95 107.32 111.04 1hqk s GLY 79 Ca -0.08 0.26 -0.01 0.00 0.00 0.00 0.00 44.72 44.89 1hqk s GLY 79 CO -0.00 0.59 -0.01 0.14 0.00 0.00 0.00 173.10 173.82 1hqk s VAL 80 N -2.78 0.80 -0.17 1.40 1.01 -1.26 -0.78 120.40 118.61 1hqk s VAL 80 Ca 0.15 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1hqk s VAL 80 Cb 0.01 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1hqk s VAL 80 CO 0.00 -0.02 0.10 -0.76 0.00 0.00 0.00 175.10 174.42 1hqk s LEU 81 N 1.75 4.05 -0.06 3.92 1.43 0.09 -4.73 118.68 125.13 1hqk s LEU 81 Ca -0.00 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 1hqk s LEU 81 Cb -0.16 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1hqk s LEU 81 CO -0.07 0.23 -0.18 -0.63 0.23 0.00 0.00 176.35 175.93 1hqk s ILE 82 N 0.03 1.56 0.30 -0.59 1.01 -1.26 -1.01 121.20 121.24 1hqk s ILE 82 Ca 0.08 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.68 1hqk s ILE 82 Cb -0.12 -1.36 -0.10 0.00 0.01 0.00 0.00 42.46 40.89 1hqk s ILE 82 CO 0.00 0.45 1.44 -0.60 0.00 0.00 0.00 174.94 176.23 1hqk s ARG 83 N 0.26 4.23 0.00 2.79 3.52 -0.12 -4.94 118.95 124.69 1hqk s ARG 83 Ca -0.10 2.38 0.00 0.00 -0.13 0.00 0.00 55.73 57.88 1hqk s ARG 83 Cb -0.14 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1hqk s ARG 83 CO 0.04 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.52 1hqk n GLY 84 N 1.50 2.52 0.11 8.12 0.00 -1.26 -4.84 105.19 111.33 1hqk n GLY 84 Ca 0.04 -1.95 -0.02 0.00 0.00 0.00 0.00 46.02 44.09 1hqk n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqk h ALA 85 N -0.72 0.54 -0.71 4.61 0.00 -2.01 -3.46 119.26 117.51 1hqk h ALA 85 Ca 0.00 -0.65 -0.54 0.00 0.00 0.00 0.00 54.91 53.72 1hqk h ALA 85 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1hqk h ALA 85 CO 0.00 0.89 -0.22 0.95 0.00 0.00 0.00 179.25 180.87 1hqk s THR 86 N -2.87 1.91 -2.00 0.00 -4.23 -1.26 -5.00 115.64 102.19 1hqk s THR 86 Ca 0.03 -1.28 0.13 0.00 -1.18 0.00 0.00 61.69 59.39 1hqk s THR 86 Cb 0.09 -2.19 0.37 0.00 1.34 0.00 0.00 72.50 72.11 1hqk s THR 86 CO 0.78 0.00 1.36 -0.81 -0.54 0.00 0.00 174.62 175.41 1hqk n PRO 87 N -1.95 0.82 -0.23 3.99 -0.04 -1.26 -4.15 135.00 132.17 1hqk n PRO 87 Ca 0.06 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.51 1hqk n PRO 87 Cb 0.63 -1.25 0.06 0.00 -0.04 0.00 0.00 33.50 32.90 1hqk n PRO 87 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1hqk h HIS 88 N 0.00 -0.56 -0.75 0.54 2.76 -1.94 -1.38 115.15 113.81 1hqk h HIS 88 Ca 0.00 0.07 0.17 0.00 -2.20 0.00 0.00 60.37 58.41 1hqk h HIS 88 Cb 0.00 0.35 -0.13 0.00 1.55 0.00 0.00 27.41 29.18 1hqk h HIS 88 CO 0.00 -0.33 -0.01 0.35 -1.30 0.00 0.00 177.93 176.64 1hqk h PHE 89 N -0.05 -0.07 -0.27 5.26 3.57 -1.93 -1.10 116.94 122.35 1hqk h PHE 89 Ca 0.31 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.91 1hqk h PHE 89 Cb 0.53 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 1hqk h PHE 89 CO -0.59 -0.25 -0.02 -0.44 -2.23 0.00 0.00 178.31 174.78 1hqk h ASP 90 N 0.10 -0.14 -0.33 0.41 3.45 -1.56 0.89 116.42 119.24 1hqk h ASP 90 Ca 0.41 0.07 -0.15 0.00 0.43 0.00 0.00 57.03 57.79 1hqk h ASP 90 Cb 0.72 0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.60 1hqk h ASP 90 CO -0.67 -0.04 -0.34 1.88 -1.57 0.00 0.00 179.24 178.50 1hqk h TYR 91 N 0.06 1.02 0.14 4.55 0.05 -1.23 -1.04 116.97 120.52 1hqk h TYR 91 Ca 0.13 -0.29 -0.01 0.00 0.05 0.00 0.00 58.73 58.62 1hqk h TYR 91 Cb 0.18 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.70 1hqk h TYR 91 CO -0.22 1.08 -0.07 0.82 -1.05 0.00 0.00 178.16 178.72 1hqk h ILE 92 N 0.72 1.00 -0.96 -2.88 1.08 -1.00 -2.09 117.51 113.38 1hqk h ILE 92 Ca 0.07 -0.61 0.08 0.00 -0.39 0.00 0.00 64.86 64.01 1hqk h ILE 92 Cb 0.91 1.38 -0.07 0.00 -3.07 0.00 0.00 36.82 35.96 1hqk h ILE 92 CO 0.08 0.14 0.61 0.00 -0.69 0.00 0.00 178.15 178.29 1hqk h ALA 93 N 0.34 1.35 -0.48 1.87 0.00 -0.85 -0.97 119.26 120.52 1hqk h ALA 93 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1hqk h ALA 93 Cb 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1hqk h ALA 93 CO 0.03 0.34 0.21 1.03 0.00 0.00 0.00 179.25 180.86 1hqk h SER 94 N 1.07 0.65 0.48 0.00 0.87 -1.14 -2.21 113.55 113.27 1hqk h SER 94 Ca 0.43 -0.15 -0.25 0.00 -1.23 0.00 0.00 61.79 60.59 1hqk h SER 94 Cb 0.24 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1hqk h SER 94 CO -0.19 0.62 -1.10 -0.33 -0.53 0.00 0.00 176.83 175.30 1hqk h GLU 95 N 0.63 0.34 -0.29 2.24 4.39 -0.99 -1.07 114.58 119.83 1hqk h GLU 95 Ca 0.16 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 1hqk h GLU 95 Cb 0.16 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1hqk h GLU 95 CO -0.02 1.16 0.15 0.28 -1.16 0.00 0.00 179.01 179.43 1hqk h VAL 96 N 0.15 1.13 -0.24 3.13 2.07 -1.22 0.74 116.25 122.02 1hqk h VAL 96 Ca -0.11 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1hqk h VAL 96 Cb 1.78 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1hqk h VAL 96 CO 0.18 0.13 0.03 0.77 0.02 0.00 0.00 177.57 178.71 1hqk h SER 97 N 0.34 0.38 -0.57 0.57 4.64 -1.41 -2.22 113.55 115.29 1hqk h SER 97 Ca 0.10 -0.27 0.05 0.00 -0.47 0.00 0.00 61.79 61.20 1hqk h SER 97 Cb 0.08 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.02 1hqk h SER 97 CO -0.02 0.55 0.31 0.50 -0.87 0.00 0.00 176.83 177.30 1hqk h LYS 98 N 0.19 0.57 -0.38 4.77 3.11 -1.16 -1.39 116.57 122.28 1hqk h LYS 98 Ca 0.07 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.81 1hqk h LYS 98 Cb 0.34 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.43 1hqk h LYS 98 CO 0.01 0.38 -0.03 0.78 -2.81 0.00 0.00 179.45 177.77 1hqk h GLY 99 N 0.59 0.74 0.96 5.01 0.00 -0.74 -0.59 103.07 109.04 1hqk h GLY 99 Ca 0.25 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1hqk h GLY 99 CO -0.16 0.52 0.19 1.41 0.00 0.00 0.00 176.54 178.50 1hqk h LEU 100 N 0.50 0.65 -0.53 3.11 3.38 -1.30 0.13 115.31 121.25 1hqk h LEU 100 Ca 0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1hqk h LEU 100 Cb 0.52 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1hqk h LEU 100 CO 0.03 0.65 0.17 0.00 0.09 0.00 0.00 178.44 179.37 1hqk h ALA 101 N 1.04 0.70 -0.50 1.53 0.00 -1.12 -1.46 119.26 119.45 1hqk h ALA 101 Ca 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1hqk h ALA 101 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1hqk h ALA 101 CO -0.01 0.35 0.22 -0.91 0.00 0.00 0.00 179.25 178.90 1hqk h ASN 102 N 0.74 0.67 -0.79 0.00 2.35 -0.96 -2.75 115.58 114.83 1hqk h ASN 102 Ca 0.17 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1hqk h ASN 102 Cb 0.27 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 1hqk h ASN 102 CO -0.01 0.63 0.39 -0.07 -1.65 0.00 0.00 177.43 176.73 1hqk h LEU 103 N 0.66 1.03 -0.75 1.61 3.38 -0.74 0.78 115.31 121.28 1hqk h LEU 103 Ca 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1hqk h LEU 103 Cb 0.16 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1hqk h LEU 103 CO -0.02 0.87 0.47 -1.28 0.09 0.00 0.00 178.44 178.57 1hqk h SER 104 N 1.14 0.88 -0.20 -0.43 0.87 -1.01 0.06 113.55 114.86 1hqk h SER 104 Ca 0.28 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 1hqk h SER 104 Cb 0.10 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1hqk h SER 104 CO -0.04 0.66 -0.16 -0.07 -0.53 0.00 0.00 176.83 176.70 1hqk h LEU 105 N 1.02 0.49 -0.56 2.23 3.38 -1.17 -0.89 115.31 119.81 1hqk h LEU 105 Ca 0.27 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1hqk h LEU 105 Cb -0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1hqk h LEU 105 CO -0.05 0.84 0.35 -0.08 0.09 0.00 0.00 178.44 179.59 1hqk h GLU 106 N 0.15 0.75 -0.01 1.13 4.81 -0.60 -3.06 114.58 117.75 1hqk h GLU 106 Ca 0.04 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1hqk h GLU 106 Cb 0.68 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1hqk h GLU 106 CO 0.04 0.53 -0.11 1.28 -0.73 0.00 0.00 179.01 180.02 1hqk n LEU 107 N -4.66 1.52 -3.86 1.64 4.77 -0.01 -4.97 117.00 111.43 1hqk n LEU 107 Ca 0.03 -0.49 -0.32 0.00 -0.03 0.00 0.00 56.01 55.21 1hqk n LEU 107 Cb 0.04 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1hqk n LEU 107 CO 0.36 0.26 -0.16 0.54 -1.33 0.00 0.00 177.39 177.06 1hqk n ARG 108 N 0.02 -1.76 -3.72 3.23 1.74 -0.38 -4.98 116.66 110.80 1hqk n ARG 108 Ca 0.16 0.36 -0.12 0.00 -0.77 0.00 0.00 57.85 57.48 1hqk n ARG 108 Cb 0.38 -3.98 -0.10 0.00 -1.02 0.00 0.00 32.46 27.74 1hqk n ARG 108 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1hqk s LYS 109 N -6.46 0.45 0.19 5.56 2.20 -0.94 -5.05 119.74 115.68 1hqk s LYS 109 Ca 0.30 0.63 -0.31 0.00 -0.36 0.00 0.00 55.97 56.23 1hqk s LYS 109 Cb -0.12 0.15 -0.10 0.00 -1.51 0.00 0.00 37.83 36.25 1hqk s LYS 109 CO 0.89 -0.09 1.55 -2.14 -0.36 0.00 0.00 175.35 175.21 1hqk s PRO 110 N 0.58 4.21 -0.11 4.03 0.02 -1.26 -4.52 135.00 137.96 1hqk s PRO 110 Ca -0.03 2.38 -0.00 0.00 0.02 0.00 0.00 61.00 63.36 1hqk s PRO 110 Cb -0.05 -3.13 0.02 0.00 0.02 0.00 0.00 34.50 31.37 1hqk s PRO 110 CO -0.04 -0.58 -0.07 0.42 -0.33 0.00 0.00 177.00 176.40 1hqk s ILE 111 N 0.86 0.99 0.18 2.83 1.01 -1.26 -1.76 121.20 124.05 1hqk s ILE 111 Ca 0.68 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 61.10 1hqk s ILE 111 Cb -0.44 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1hqk s ILE 111 CO 0.34 0.36 0.21 0.42 0.00 0.00 0.00 174.94 176.27 1hqk s THR 112 N 1.68 4.79 -0.71 2.92 -4.23 0.47 -4.96 115.64 115.61 1hqk s THR 112 Ca 0.04 -1.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.49 1hqk s THR 112 Cb -0.13 -3.48 0.18 0.00 1.34 0.00 0.00 72.50 70.41 1hqk s THR 112 CO -0.08 -0.15 0.57 0.12 -0.54 0.00 0.00 174.62 174.54 1hqk s PHE 113 N -1.81 3.55 -0.68 3.99 5.36 -1.26 -1.65 117.98 125.47 1hqk s PHE 113 Ca 0.32 -2.54 -0.02 0.00 -0.96 0.00 0.00 56.93 53.74 1hqk s PHE 113 Cb -0.10 -3.39 0.44 0.00 -0.34 0.00 0.00 43.02 39.63 1hqk s PHE 113 CO 0.26 -0.88 2.03 0.41 -1.46 0.00 0.00 175.22 175.58 1hqk n GLY 114 N 3.51 5.85 3.39 13.12 0.00 0.14 -4.83 105.19 126.38 1hqk n GLY 114 Ca 0.11 -2.33 -0.36 0.00 0.00 0.00 0.00 46.02 43.44 1hqk n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hqk s VAL 115 N -4.85 3.99 0.11 1.61 1.01 -1.24 -2.75 120.40 118.28 1hqk s VAL 115 Ca 0.64 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 1hqk s VAL 115 Cb 0.50 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 1hqk s VAL 115 CO -0.05 0.33 0.95 -0.63 0.00 0.00 0.00 175.10 175.70 1hqk s ILE 116 N 1.56 4.50 -0.50 2.22 1.01 0.04 -4.92 121.20 125.11 1hqk s ILE 116 Ca 0.06 2.05 0.03 0.00 0.00 0.00 0.00 60.65 62.79 1hqk s ILE 116 Cb -0.15 -4.32 0.14 0.00 0.01 0.00 0.00 42.46 38.14 1hqk s ILE 116 CO 0.01 0.32 0.28 0.42 0.00 0.00 0.00 174.94 175.98 1hqk s THR 117 N -0.04 2.02 0.03 2.92 -4.23 -1.26 -0.73 115.64 114.35 1hqk s THR 117 Ca 0.46 -3.07 0.02 0.00 -1.18 0.00 0.00 61.69 57.93 1hqk s THR 117 Cb -0.23 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 1hqk s THR 117 CO 0.30 -0.88 0.02 0.00 -0.54 0.00 0.00 174.62 173.51 1hqk s ALA 118 N -0.13 3.36 0.21 3.99 0.00 -0.18 -5.01 121.76 123.99 1hqk s ALA 118 Ca 0.19 -0.99 0.09 0.00 0.00 0.00 0.00 51.96 51.24 1hqk s ALA 118 Cb -0.22 -1.34 0.13 0.00 0.00 0.00 0.00 23.12 21.70 1hqk s ALA 118 CO -0.03 0.68 1.48 -0.44 0.00 0.00 0.00 175.76 177.46 1hqk h ASP 119 N 3.93 0.00 -3.90 0.00 3.32 -1.93 -0.30 116.42 117.53 1hqk h ASP 119 Ca -0.48 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.22 1hqk h ASP 119 Cb 1.17 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.57 1hqk h ASP 119 CO 0.60 0.77 -0.72 0.42 -1.72 0.00 0.00 179.24 178.58 1hqk s THR 120 N -3.25 1.25 0.26 0.35 -4.23 -1.26 -3.92 115.64 104.84 1hqk s THR 120 Ca -0.00 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.45 1hqk s THR 120 Cb 0.12 -1.80 0.26 0.00 1.34 0.00 0.00 72.50 72.41 1hqk s THR 120 CO 0.78 -0.68 1.94 0.25 -0.54 0.00 0.00 174.62 176.37 1hqk h LEU 121 N 2.89 1.10 -0.41 4.79 5.85 -1.93 -2.30 115.31 125.30 1hqk h LEU 121 Ca -0.37 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1hqk h LEU 121 Cb 1.19 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1hqk h LEU 121 CO 0.61 0.79 0.25 -0.08 -0.34 0.00 0.00 178.44 179.67 1hqk h GLU 122 N 1.30 0.50 -0.53 1.25 4.81 -1.99 0.25 114.58 120.16 1hqk h GLU 122 Ca 0.36 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1hqk h GLU 122 Cb -0.13 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 1hqk h GLU 122 CO -0.08 0.33 0.35 1.96 -0.73 0.00 0.00 179.01 180.84 1hqk h GLN 123 N 0.51 0.69 -0.26 1.92 4.20 -1.87 -0.38 115.11 119.92 1hqk h GLN 123 Ca 0.16 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 1hqk h GLN 123 Cb -0.01 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1hqk h GLN 123 CO -0.06 0.46 -0.15 0.00 -0.67 0.00 0.00 178.83 178.40 1hqk h ALA 124 N 1.67 0.37 -0.74 3.87 0.00 -0.83 -2.65 119.26 120.96 1hqk h ALA 124 Ca 0.19 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1hqk h ALA 124 Cb -0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1hqk h ALA 124 CO -0.04 0.27 0.47 0.82 0.00 0.00 0.00 179.25 180.76 1hqk h ILE 125 N 0.30 1.11 -0.81 0.00 2.04 -0.56 -2.05 117.51 117.55 1hqk h ILE 125 Ca 0.06 -0.31 0.09 0.00 1.00 0.00 0.00 64.86 65.70 1hqk h ILE 125 Cb 0.67 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 1hqk h ILE 125 CO 0.04 0.17 0.53 -0.33 0.00 0.00 0.00 178.15 178.56 1hqk h GLU 126 N 0.91 0.74 -0.20 2.37 5.08 -0.96 -2.57 114.58 119.95 1hqk h GLU 126 Ca 0.30 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1hqk h GLU 126 Cb 0.01 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1hqk h GLU 126 CO -0.11 0.49 0.00 0.54 -1.00 0.00 0.00 179.01 178.93 1hqk n ARG 127 N -4.51 2.06 -2.27 2.33 1.74 -0.82 -0.53 116.66 114.65 1hqk n ARG 127 Ca 0.13 -1.58 -0.29 0.00 -0.77 0.00 0.00 57.85 55.34 1hqk n ARG 127 Cb 0.32 -1.45 0.01 0.00 -1.02 0.00 0.00 32.46 30.32 1hqk n ARG 127 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hqk n ALA 128 N 0.83 5.39 0.00 7.54 0.00 -0.87 -1.47 120.51 131.91 1hqk n ALA 128 Ca 0.17 -4.19 0.00 0.00 0.00 0.00 0.00 53.44 49.43 1hqk n ALA 128 Cb 0.46 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1hqk n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqk n GLY 129 N -0.54 1.03 0.00 0.00 0.00 0.76 -4.70 105.19 101.74 1hqk n GLY 129 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1hqk n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hqk n THR 130 N -1.94 0.00 0.33 2.61 -2.24 -1.17 -4.93 114.28 106.93 1hqk n THR 130 Ca 0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 1hqk n THR 130 Cb 0.00 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 68.75 1hqk n THR 130 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1hqk h LYS 131 N 0.00 0.00 -0.52 -0.78 2.10 -1.80 -0.96 116.57 114.61 1hqk h LYS 131 Ca 0.00 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.41 1hqk h LYS 131 Cb 0.00 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 31.19 1hqk h LYS 131 CO 0.00 0.00 0.13 0.72 -2.00 0.00 0.00 179.45 178.30 1hqk n HIS 132 N -2.83 1.64 -2.10 0.07 8.25 0.31 -5.05 115.22 115.51 1hqk n HIS 132 Ca 0.02 -1.53 0.00 0.00 -0.26 0.00 0.00 57.72 55.95 1hqk n HIS 132 Cb 0.34 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1hqk n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hqk n GLY 133 N -0.96 -1.36 2.68 -1.41 0.00 -0.37 -4.67 105.19 99.10 1hqk n GLY 133 Ca 0.38 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 1hqk n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hqk s ASN 134 N -4.00 2.66 0.51 1.61 3.84 -1.26 -0.17 114.94 118.14 1hqk s ASN 134 Ca 0.00 -0.73 0.30 0.00 0.21 0.00 0.00 52.86 52.64 1hqk s ASN 134 Cb 0.00 -0.44 1.29 0.00 -0.55 0.00 0.00 41.25 41.55 1hqk s ASN 134 CO 0.00 -0.33 1.97 0.11 -2.79 0.00 0.00 177.10 176.06 1hqk h LYS 135 N 8.32 0.00 -0.19 0.43 1.79 -1.58 -2.21 116.57 123.14 1hqk h LYS 135 Ca -0.16 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.27 1hqk h LYS 135 Cb 1.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1hqk h LYS 135 CO 0.32 0.11 -0.07 0.78 -1.08 0.00 0.00 179.45 179.50 1hqk h GLY 136 N 1.70 0.41 0.65 3.86 0.00 -1.82 -1.21 103.07 106.64 1hqk h GLY 136 Ca -0.00 -0.35 0.07 0.00 0.00 0.00 0.00 47.33 47.05 1hqk h GLY 136 CO 0.01 0.32 0.46 -0.25 0.00 0.00 0.00 176.54 177.08 1hqk h TRP 137 N 0.07 0.84 -0.40 5.60 7.01 -1.58 -1.40 115.95 126.09 1hqk h TRP 137 Ca 0.04 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.97 1hqk h TRP 137 Cb 0.53 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 1hqk h TRP 137 CO 0.06 0.39 -0.14 0.93 -2.79 0.00 0.00 178.44 176.90 1hqk h GLU 138 N 0.82 0.80 -0.24 2.65 5.08 -1.38 -0.01 114.58 122.29 1hqk h GLU 138 Ca 0.36 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1hqk h GLU 138 Cb 0.24 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1hqk h GLU 138 CO -0.20 0.94 -0.20 0.00 -1.00 0.00 0.00 179.01 178.56 1hqk h ALA 139 N 0.83 1.22 -0.37 3.43 0.00 -1.10 -1.12 119.26 122.15 1hqk h ALA 139 Ca 0.10 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1hqk h ALA 139 Cb 0.67 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1hqk h ALA 139 CO 0.05 0.51 -0.23 0.00 0.00 0.00 0.00 179.25 179.57 1hqk h ALA 140 N 1.41 0.52 -0.86 0.00 0.00 -0.89 -1.56 119.26 117.88 1hqk h ALA 140 Ca 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1hqk h ALA 140 Cb 0.57 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1hqk h ALA 140 CO 0.04 0.50 0.44 1.25 0.00 0.00 0.00 179.25 181.48 1hqk h LEU 141 N 0.60 1.09 -0.91 0.00 5.85 -0.49 0.26 115.31 121.71 1hqk h LEU 141 Ca 0.07 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1hqk h LEU 141 Cb 0.79 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1hqk h LEU 141 CO 0.06 0.90 0.23 0.28 -0.34 0.00 0.00 178.44 179.57 1hqk h SER 142 N 1.21 0.96 -0.25 1.25 0.02 -1.07 -1.94 113.55 113.72 1hqk h SER 142 Ca 0.30 -0.16 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 1hqk h SER 142 Cb 0.07 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1hqk h SER 142 CO -0.04 0.88 -0.42 0.00 -1.14 0.00 0.00 176.83 176.11 1hqk h ALA 143 N 1.25 0.65 -0.23 3.77 0.00 -0.45 -1.28 119.26 122.97 1hqk h ALA 143 Ca 0.22 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1hqk h ALA 143 Cb 0.25 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1hqk h ALA 143 CO -0.01 0.67 -0.01 0.82 0.00 0.00 0.00 179.25 180.72 1hqk h ILE 144 N 0.65 0.82 -0.36 0.00 2.04 -0.74 0.70 117.51 120.62 1hqk h ILE 144 Ca 0.05 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1hqk h ILE 144 Cb 0.99 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1hqk h ILE 144 CO 0.09 0.01 0.21 -0.08 0.00 0.00 0.00 178.15 178.38 1hqk h GLU 145 N 0.05 0.49 -0.34 2.37 4.81 -1.22 -1.46 114.58 119.29 1hqk h GLU 145 Ca 0.11 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.15 1hqk h GLU 145 Cb 0.15 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1hqk h GLU 145 CO -0.20 0.39 -0.35 0.52 -0.73 0.00 0.00 179.01 178.64 1hqk h MET 146 N 0.46 0.76 -0.62 1.92 2.86 -1.07 0.11 114.93 119.35 1hqk h MET 146 Ca 0.13 -0.37 -0.04 0.00 -2.06 0.00 0.00 59.70 57.36 1hqk h MET 146 Cb 0.03 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1hqk h MET 146 CO -0.02 0.99 0.22 0.00 1.06 0.00 0.00 176.91 179.15 1hqk h ALA 147 N 0.98 0.82 -0.61 6.32 0.00 -0.71 0.60 119.26 126.65 1hqk h ALA 147 Ca 0.06 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1hqk h ALA 147 Cb 0.88 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1hqk h ALA 147 CO 0.08 0.46 0.04 -0.91 0.00 0.00 0.00 179.25 178.92 1hqk h ASN 148 N 0.89 1.03 -0.47 0.00 -0.26 -1.02 -2.56 115.58 113.18 1hqk h ASN 148 Ca 0.20 -0.29 0.05 0.00 -0.56 0.00 0.00 56.30 55.71 1hqk h ASN 148 Cb 0.25 -0.27 -0.05 0.00 -1.06 0.00 0.00 38.32 37.19 1hqk h ASN 148 CO -0.01 1.06 0.20 0.25 -1.06 0.00 0.00 177.43 177.87 1hqk h LEU 149 N 0.96 0.24 -1.41 1.61 5.85 -0.43 -2.58 115.31 119.54 1hqk h LEU 149 Ca 0.18 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1hqk h LEU 149 Cb 0.52 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1hqk h LEU 149 CO 0.02 0.17 0.00 -0.26 -0.34 0.00 0.00 178.44 178.04 1hqk h PHE 150 N 0.39 0.00 -0.48 1.25 -1.00 -0.68 -0.51 116.94 115.92 1hqk h PHE 150 Ca 0.22 0.00 0.11 0.00 2.81 0.00 0.00 57.97 61.11 1hqk h PHE 150 Cb 0.19 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 1hqk h PHE 150 CO -0.13 0.00 0.33 0.87 -1.61 0.00 0.00 178.31 177.77 1hqk h LYS 151 N 0.00 0.15 0.00 1.51 1.57 -1.05 -1.53 116.57 117.22 1hqk h LYS 151 Ca 0.00 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 1hqk h LYS 151 Cb 0.49 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1hqk h LYS 151 CO 0.00 0.10 -1.98 -1.13 -0.57 0.00 0.00 179.45 175.87 1hqk n SER 152 N -4.44 1.27 0.10 0.86 3.41 -0.83 -4.74 113.62 109.26 1hqk n SER 152 Ca 0.08 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.54 1hqk n SER 152 Cb 0.44 1.05 -0.14 0.00 -0.26 0.00 0.00 64.21 65.30 1hqk n SER 152 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1hqk h LEU 153 N 0.00 0.38 -0.23 1.04 5.85 -0.98 -3.53 115.31 117.84 1hqk h LEU 153 Ca -0.33 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 57.99 1hqk h LEU 153 Cb 1.70 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.61 1hqk h LEU 153 CO 0.02 1.32 0.00 -1.14 -0.34 0.00 0.00 178.44 178.29