#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqf n HIS 1 N 0.00 -1.94 0.00 -1.40 -0.00 -1.26 -5.05 115.22 105.57 3hqf n HIS 1 Ca 0.00 1.04 0.00 0.00 -0.00 0.00 0.00 57.72 58.76 3hqf n HIS 1 Cb 0.00 -2.43 0.00 0.00 -0.00 0.00 0.00 29.99 27.56 3hqf n HIS 1 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3hqf n GLY 2 N 0.05 1.24 0.00 1.57 0.00 -1.26 -5.01 105.19 101.78 3hqf n GLY 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hqf n GLY 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hqf n SER 3 N 0.00 0.77 -0.16 1.61 3.41 -1.26 -4.52 113.62 113.46 3hqf n SER 3 Ca 0.00 -1.35 -0.02 0.00 -0.26 0.00 0.00 58.87 57.24 3hqf n SER 3 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 3hqf n SER 3 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hqf h SER 4 N 0.00 -0.35 -0.23 4.04 4.64 -1.99 -0.38 113.55 119.29 3hqf h SER 4 Ca 0.00 0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 3hqf h SER 4 Cb 0.71 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3hqf h SER 4 CO 0.00 -0.13 0.05 0.58 -0.87 0.00 0.00 176.83 176.47 3hqf h VAL 5 N 0.05 1.21 -0.35 0.95 2.07 -2.00 -1.89 116.25 116.30 3hqf h VAL 5 Ca 0.25 -0.70 0.06 0.00 0.82 0.00 0.00 66.70 67.14 3hqf h VAL 5 Cb 0.39 1.23 -0.09 0.00 -1.52 0.00 0.00 31.29 31.31 3hqf h VAL 5 CO -0.48 0.22 -0.42 0.15 0.02 0.00 0.00 177.57 177.06 3hqf h PHE 6 N 0.19 -1.22 -0.95 1.57 3.57 -1.86 -1.63 116.94 116.61 3hqf h PHE 6 Ca 0.07 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.73 3hqf h PHE 6 Cb 0.29 0.59 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 3hqf h PHE 6 CO 0.01 -0.44 0.59 1.25 -2.23 0.00 0.00 178.31 177.49 3hqf h HIS 7 N -0.35 1.09 -0.41 0.41 2.76 -0.85 -0.37 115.15 117.42 3hqf h HIS 7 Ca 0.13 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.21 3hqf h HIS 7 Cb 0.59 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 3hqf h HIS 7 CO -0.59 0.49 -0.20 -0.97 -1.30 0.00 0.00 177.93 175.36 3hqf h ASN 8 N 1.01 0.82 -0.52 3.26 -1.24 -0.99 -2.00 115.58 115.92 3hqf h ASN 8 Ca 0.44 -0.29 -0.11 0.00 0.71 0.00 0.00 56.30 57.05 3hqf h ASN 8 Cb 0.33 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.14 3hqf h ASN 8 CO -0.22 1.01 -0.11 -0.25 -1.29 0.00 0.00 177.43 176.56 3hqf h TRP 9 N 0.71 1.12 -0.70 0.67 7.01 -0.27 -2.50 115.95 121.98 3hqf h TRP 9 Ca 0.10 -0.24 0.03 0.00 2.11 0.00 0.00 58.89 60.90 3hqf h TRP 9 Cb 0.72 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.46 3hqf h TRP 9 CO 0.04 1.05 0.44 -0.07 -2.79 0.00 0.00 178.44 177.11 3hqf h LEU 10 N 0.87 0.72 -0.71 0.65 3.38 -0.72 -1.57 115.31 117.92 3hqf h LEU 10 Ca 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3hqf h LEU 10 Cb 0.68 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3hqf h LEU 10 CO 0.05 0.49 0.14 -0.07 0.09 0.00 0.00 178.44 179.15 3hqf h LEU 11 N 0.85 1.08 -0.06 1.67 3.38 -1.20 0.52 115.31 121.55 3hqf h LEU 11 Ca 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hqf h LEU 11 Cb 0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 3hqf h LEU 11 CO -0.11 1.04 0.02 -0.08 0.09 0.00 0.00 178.44 179.40 3hqf h GLU 12 N 1.06 0.10 -0.13 1.13 4.81 -1.06 -2.50 114.58 117.99 3hqf h GLU 12 Ca 0.21 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 3hqf h GLU 12 Cb 0.41 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 3hqf h GLU 12 CO 0.01 0.30 -0.10 0.82 -0.73 0.00 0.00 179.01 179.31 3hqf h ILE 13 N -0.11 0.71 -0.62 2.32 1.08 -1.00 -2.62 117.51 117.27 3hqf h ILE 13 Ca 0.02 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.67 3hqf h ILE 13 Cb 0.24 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 3hqf h ILE 13 CO 0.00 0.00 0.60 0.00 -0.69 0.00 0.00 178.15 178.06 3hqf h ALA 14 N 1.00 2.40 -0.05 1.87 0.00 0.27 -1.88 119.26 122.88 3hqf h ALA 14 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hqf h ALA 14 Cb 0.23 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hqf h ALA 14 CO -0.20 -0.92 0.00 0.00 0.00 0.00 0.00 179.25 178.14 3hqf s GLU 16 N -0.87 2.24 -1.24 0.00 2.02 -0.71 -5.04 118.70 115.10 3hqf s GLU 16 Ca 0.04 -2.12 -0.12 0.00 0.02 0.00 0.00 54.97 52.79 3hqf s GLU 16 Cb 0.02 -1.92 0.17 0.00 0.10 0.00 0.00 34.13 32.50 3hqf s GLU 16 CO 0.03 -0.49 1.61 -1.71 0.02 0.00 0.00 175.26 174.71 3hqf n ASN 17 N -1.56 5.17 -4.37 -0.19 5.15 -1.26 -4.77 115.26 113.43 3hqf n ASN 17 Ca -0.07 -3.03 -0.27 0.00 -0.60 0.00 0.00 54.58 50.61 3hqf n ASN 17 Cb 0.65 -1.54 -0.13 0.00 -0.53 0.00 0.00 39.78 38.24 3hqf n ASN 17 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3hqf s TYR 18 N 1.15 2.18 -0.11 1.20 2.02 -1.26 -1.42 117.35 121.12 3hqf s TYR 18 Ca 0.42 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 3hqf s TYR 18 Cb 0.02 -1.16 -0.02 0.00 -0.40 0.00 0.00 41.96 40.40 3hqf s TYR 18 CO 0.00 0.34 -0.15 0.12 -1.57 0.00 0.00 175.55 174.30 3hqf s PHE 19 N -1.24 2.74 -0.08 2.71 5.36 -0.01 0.12 117.98 127.58 3hqf s PHE 19 Ca 0.14 -0.59 0.01 0.00 -0.96 0.00 0.00 56.93 55.53 3hqf s PHE 19 Cb -0.09 -1.77 -0.03 0.00 -0.34 0.00 0.00 43.02 40.79 3hqf s PHE 19 CO 0.06 -0.15 -0.09 0.08 -1.46 0.00 0.00 175.22 173.66 3hqf s VAL 20 N 0.09 3.51 -0.15 3.12 1.01 0.25 -0.34 120.40 127.89 3hqf s VAL 20 Ca -0.07 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3hqf s VAL 20 Cb -0.15 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.82 3hqf s VAL 20 CO 0.05 0.58 -0.16 -0.47 0.00 0.00 0.00 175.10 175.10 3hqf s TYR 21 N -0.59 2.37 -0.10 5.22 5.04 -0.32 -0.88 117.35 128.10 3hqf s TYR 21 Ca 0.09 -1.34 0.03 0.00 -2.44 0.00 0.00 57.07 53.41 3hqf s TYR 21 Cb -0.12 -1.70 0.01 0.00 0.35 0.00 0.00 41.96 40.51 3hqf s TYR 21 CO 0.02 -0.70 -0.19 0.42 -1.34 0.00 0.00 175.55 173.76 3hqf s ILE 22 N 1.35 1.70 0.20 3.14 1.01 0.41 0.23 121.20 129.24 3hqf s ILE 22 Ca 0.03 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 59.70 3hqf s ILE 22 Cb -0.13 -1.51 0.03 0.00 0.01 0.00 0.00 42.46 40.87 3hqf s ILE 22 CO -0.10 0.48 0.55 -1.59 0.00 0.00 0.00 174.94 174.28 3hqf s LYS 23 N 0.63 1.40 -0.11 2.79 -2.85 -0.65 -2.42 119.74 118.53 3hqf s LYS 23 Ca -0.14 -0.81 -0.28 0.00 -1.00 0.00 0.00 55.97 53.74 3hqf s LYS 23 Cb -0.16 0.54 -0.02 0.00 -2.06 0.00 0.00 37.83 36.13 3hqf s LYS 23 CO 0.04 -0.60 0.93 1.03 0.10 0.00 0.00 175.35 176.84 3hqf s ARG 24 N -3.86 4.40 0.32 1.78 1.81 -1.26 -0.00 118.95 122.14 3hqf s ARG 24 Ca 0.08 1.24 -0.29 0.00 -1.72 0.00 0.00 55.73 55.04 3hqf s ARG 24 Cb -0.01 -3.54 -0.11 0.00 -0.45 0.00 0.00 34.95 30.83 3hqf s ARG 24 CO -0.04 -0.27 1.56 1.28 -0.68 0.00 0.00 175.30 177.16 3hqf n LEU 25 N 4.90 4.50 -4.91 2.53 4.77 0.15 -4.75 117.00 124.18 3hqf n LEU 25 Ca 0.06 1.17 -0.27 0.00 -0.03 0.00 0.00 56.01 56.94 3hqf n LEU 25 Cb 0.49 -1.60 0.07 0.00 -2.33 0.00 0.00 43.42 40.04 3hqf n LEU 25 CO 0.50 0.15 0.67 -0.94 -1.33 0.00 0.00 177.39 176.45 3hqf s SER 26 N 0.29 4.91 0.29 -1.43 1.04 -1.26 -0.55 113.70 116.99 3hqf s SER 26 Ca 0.60 0.67 -0.01 0.00 0.48 0.00 0.00 55.95 57.69 3hqf s SER 26 Cb -0.49 -1.34 0.42 0.00 0.10 0.00 0.00 66.02 64.71 3hqf s SER 26 CO 0.53 -1.58 1.85 0.00 0.98 0.00 0.00 173.24 175.02 3hqf h ALA 27 N -0.68 1.25 -0.52 5.32 0.00 -1.95 -2.57 119.26 120.12 3hqf h ALA 27 Ca -0.45 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 3hqf h ALA 27 Cb 1.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3hqf h ALA 27 CO 0.62 0.53 0.11 -0.97 0.00 0.00 0.00 179.25 179.55 3hqf h ASN 28 N 0.82 0.80 -0.35 0.00 -1.24 -1.93 0.16 115.58 113.84 3hqf h ASN 28 Ca 0.19 -0.24 0.06 0.00 0.71 0.00 0.00 56.30 57.01 3hqf h ASN 28 Cb 0.24 -0.21 -0.05 0.00 0.73 0.00 0.00 38.32 39.03 3hqf h ASN 28 CO -0.01 0.83 0.04 0.44 -1.29 0.00 0.00 177.43 177.44 3hqf h ASP 29 N 0.72 -0.06 1.83 1.15 3.32 -1.72 -2.91 116.42 118.75 3hqf h ASP 29 Ca 0.16 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3hqf h ASP 29 Cb 0.36 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3hqf h ASP 29 CO 0.00 0.00 0.00 0.71 -1.72 0.00 0.00 179.24 178.24 3hqf h THR 30 N 0.15 0.00 0.00 0.35 1.35 -1.42 -3.39 112.91 109.94 3hqf h THR 30 Ca 0.17 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3hqf h THR 30 Cb 0.22 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 3hqf h THR 30 CO -0.25 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.63 3hqf n GLY 31 N 1.12 0.56 0.20 5.82 0.00 -0.66 -3.83 105.19 108.40 3hqf n GLY 31 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3hqf n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqf h ALA 32 N 0.00 1.00 0.00 4.61 0.00 -0.99 -2.32 119.26 121.56 3hqf h ALA 32 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hqf h ALA 32 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hqf h ALA 32 CO 0.00 0.00 -0.37 1.79 0.00 0.00 0.00 179.25 180.67 3hqf h THR 33 N 0.00 0.64 0.00 0.00 1.35 -1.87 -3.47 112.91 109.56 3hqf h THR 33 Ca 0.00 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 3hqf h THR 33 Cb 0.14 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 3hqf h THR 33 CO 0.00 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 3hqf n GLY 34 N 1.10 0.42 3.84 5.82 0.00 -0.87 -5.08 105.19 110.41 3hqf n GLY 34 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3hqf n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hqf s GLY 35 N -1.39 1.73 -0.47 -0.02 0.00 -1.26 -5.00 107.32 100.90 3hqf s GLY 35 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.80 3hqf s GLY 35 CO 0.00 0.35 1.90 1.42 0.00 0.00 0.00 173.10 176.77 3hqf n HIS 36 N -2.83 2.88 0.18 1.90 8.25 -1.26 -4.57 115.22 119.77 3hqf n HIS 36 Ca 0.07 -2.07 0.04 0.00 -0.26 0.00 0.00 57.72 55.50 3hqf n HIS 36 Cb 0.54 -1.03 0.31 0.00 1.12 0.00 0.00 29.99 30.93 3hqf n HIS 36 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 3hqf h GLN 37 N 1.21 0.00 -6.41 -0.41 4.15 -1.94 -3.46 115.11 108.25 3hqf h GLN 37 Ca 0.58 0.00 -0.42 0.00 0.77 0.00 0.00 58.65 59.58 3hqf h GLN 37 Cb 2.19 0.00 -0.15 0.00 0.21 0.00 0.00 27.48 29.74 3hqf h GLN 37 CO 1.15 0.43 -0.66 1.33 -1.93 0.00 0.00 178.83 179.15 3hqf n VAL 38 N -3.68 -0.65 -3.79 2.39 0.24 -1.26 -4.83 118.33 106.74 3hqf n VAL 38 Ca -0.01 -0.33 -0.00 0.00 -2.04 0.00 0.00 64.34 61.96 3hqf n VAL 38 Cb 0.51 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 3hqf n VAL 38 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3hqf s GLY 39 N -3.89 -0.19 -0.21 7.63 0.00 -1.26 -3.41 107.32 105.98 3hqf s GLY 39 Ca 0.02 0.21 -0.08 0.00 0.00 0.00 0.00 44.72 44.87 3hqf s GLY 39 CO 0.68 1.97 0.09 -2.27 0.00 0.00 0.00 173.10 173.57 3hqf s LEU 40 N -3.27 3.80 0.09 0.66 2.96 0.20 -4.46 118.68 118.65 3hqf s LEU 40 Ca 0.19 0.02 -0.31 0.00 -0.22 0.00 0.00 54.13 53.82 3hqf s LEU 40 Cb 0.01 -1.99 -0.08 0.00 0.50 0.00 0.00 46.19 44.63 3hqf s LEU 40 CO -0.00 0.10 1.48 -0.47 -1.32 0.00 0.00 176.35 176.14 3hqf s TYR 41 N 0.82 2.96 0.09 5.38 5.04 -1.26 -1.29 117.35 129.08 3hqf s TYR 41 Ca 0.05 0.74 0.09 0.00 -2.44 0.00 0.00 57.07 55.50 3hqf s TYR 41 Cb -0.13 -3.78 -0.03 0.00 0.35 0.00 0.00 41.96 38.37 3hqf s TYR 41 CO 0.02 -2.88 -0.22 0.96 -1.34 0.00 0.00 175.55 172.09 3hqf s ILE 42 N 1.71 1.83 0.53 3.14 -4.36 -1.18 -4.95 121.20 117.92 3hqf s ILE 42 Ca 0.67 -1.48 -0.14 0.00 -0.26 0.00 0.00 60.65 59.44 3hqf s ILE 42 Cb -0.37 -1.63 -0.07 0.00 1.25 0.00 0.00 42.46 41.64 3hqf s ILE 42 CO 0.30 0.07 0.97 -2.16 0.24 0.00 0.00 174.94 174.35 3hqf s PRO 43 N -1.70 3.83 0.21 0.37 0.04 -1.26 -4.26 135.00 132.24 3hqf s PRO 43 Ca 0.08 0.83 -0.14 0.00 0.04 0.00 0.00 61.00 61.81 3hqf s PRO 43 Cb -0.10 -2.16 0.24 0.00 0.04 0.00 0.00 34.50 32.53 3hqf s PRO 43 CO 0.04 -0.32 1.61 1.03 0.04 0.00 0.00 177.00 179.40 3hqf h SER 44 N 0.63 -0.77 -0.84 6.66 0.87 -1.98 -1.70 113.55 116.41 3hqf h SER 44 Ca -0.46 0.21 0.21 0.00 -1.23 0.00 0.00 61.79 60.52 3hqf h SER 44 Cb 1.19 0.47 -0.05 0.00 -0.44 0.00 0.00 62.40 63.56 3hqf h SER 44 CO 0.62 -0.25 0.58 1.23 -0.53 0.00 0.00 176.83 178.47 3hqf h GLY 45 N -0.04 0.52 0.66 5.77 0.00 -1.99 -0.57 103.07 107.41 3hqf h GLY 45 Ca 0.31 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.58 3hqf h GLY 45 CO -0.71 0.00 0.22 -2.22 0.00 0.00 0.00 176.54 173.83 3hqf h ILE 46 N 0.25 0.91 -0.38 2.60 1.08 -1.68 -2.35 117.51 117.93 3hqf h ILE 46 Ca 0.42 -0.15 -0.12 0.00 -0.39 0.00 0.00 64.86 64.62 3hqf h ILE 46 Cb 1.27 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 3hqf h ILE 46 CO -0.11 0.08 -0.24 0.58 -0.69 0.00 0.00 178.15 177.77 3hqf h VAL 47 N 0.44 1.28 -0.73 1.67 2.07 -1.22 0.16 116.25 119.92 3hqf h VAL 47 Ca 0.23 -1.39 0.08 0.00 0.82 0.00 0.00 66.70 66.43 3hqf h VAL 47 Cb 0.18 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 3hqf h VAL 47 CO -0.19 0.46 0.40 -0.33 0.02 0.00 0.00 177.57 177.94 3hqf h GLU 48 N 0.64 0.69 0.14 1.57 5.08 -1.33 -0.36 114.58 121.00 3hqf h GLU 48 Ca 0.08 -0.04 -0.33 0.00 -1.00 0.00 0.00 59.36 58.07 3hqf h GLU 48 Cb 0.81 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3hqf h GLU 48 CO 0.07 0.46 -1.69 -0.22 -1.00 0.00 0.00 179.01 176.62 3hqf h LYS 49 N 0.71 0.29 0.00 2.33 3.64 -1.31 -3.40 116.57 118.83 3hqf h LYS 49 Ca 0.34 -0.49 -0.14 0.00 -1.27 0.00 0.00 60.65 59.09 3hqf h LYS 49 Cb 0.27 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 3hqf h LYS 49 CO -0.22 1.16 -1.83 1.28 -2.27 0.00 0.00 179.45 177.57 3hqf n LEU 50 N -3.48 0.33 -3.19 5.20 4.77 0.54 -4.64 117.00 116.53 3hqf n LEU 50 Ca -0.22 0.14 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 3hqf n LEU 50 Cb 1.06 0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 42.24 3hqf n LEU 50 CO 0.49 0.15 -0.25 0.49 -1.33 0.00 0.00 177.39 176.94 3hqf n PHE 51 N -2.61 0.05 -0.10 -1.77 3.72 -0.16 0.08 117.46 116.66 3hqf n PHE 51 Ca -0.13 -3.69 0.00 0.00 -0.05 0.00 0.00 57.45 53.58 3hqf n PHE 51 Cb 0.80 -0.39 0.27 0.00 -0.94 0.00 0.00 39.48 39.22 3hqf n PHE 51 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hqf h PRO 52 N 3.56 0.76 -0.08 -1.08 0.13 -1.76 -2.50 132.00 131.02 3hqf h PRO 52 Ca 0.09 -0.10 0.02 0.00 -0.87 0.00 0.00 66.00 65.14 3hqf h PRO 52 Cb 0.91 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 3hqf h PRO 52 CO 0.49 0.60 0.08 0.66 -0.23 0.00 0.00 178.00 179.61 3hqf h SER 53 N 0.76 0.00 -0.21 1.44 4.64 -1.93 0.31 113.55 118.56 3hqf h SER 53 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3hqf h SER 53 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3hqf h SER 53 CO -0.02 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.24 3hqf n ILE 54 N -3.94 0.26 -2.57 0.95 -5.35 -0.95 -4.79 119.36 102.97 3hqf n ILE 54 Ca -0.01 -0.55 -0.43 0.00 -0.27 0.00 0.00 62.75 61.49 3hqf n ILE 54 Cb 0.19 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 3hqf n ILE 54 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3hqf n ASN 55 N 1.08 5.26 -3.63 7.28 5.15 0.11 -4.76 115.26 125.75 3hqf n ASN 55 Ca 0.17 -3.11 -0.02 0.00 -0.60 0.00 0.00 54.58 51.03 3hqf n ASN 55 Cb 0.52 -1.48 -0.00 0.00 -0.53 0.00 0.00 39.78 38.29 3hqf n ASN 55 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 3hqf s HIS 56 N 0.30 -0.05 -0.16 1.20 -3.43 -1.26 -5.05 115.29 106.85 3hqf s HIS 56 Ca 0.39 -0.22 0.16 0.00 -0.80 0.00 0.00 55.06 54.59 3hqf s HIS 56 Cb 0.06 0.63 0.43 0.00 -1.43 0.00 0.00 32.58 32.27 3hqf s HIS 56 CO 0.01 -0.68 1.20 0.25 -2.00 0.00 0.00 174.74 173.51 3hqf n THR 57 N -0.56 1.53 -0.66 -5.38 -2.24 -1.26 -4.70 114.28 101.02 3hqf n THR 57 Ca -0.05 -2.67 0.08 0.00 -2.27 0.00 0.00 64.05 59.14 3hqf n THR 57 Cb 0.61 0.12 0.27 0.00 -2.10 0.00 0.00 70.33 69.23 3hqf n THR 57 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3hqf n ARG 58 N -0.56 3.28 -3.52 -0.78 1.85 -1.26 -4.92 116.66 110.75 3hqf n ARG 58 Ca 0.17 -2.66 -0.17 0.00 -1.00 0.00 0.00 57.85 54.20 3hqf n ARG 58 Cb 0.86 -1.73 -0.06 0.00 -1.05 0.00 0.00 32.46 30.49 3hqf n ARG 58 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3hqf s GLU 59 N -2.04 1.01 -0.06 2.89 2.12 -1.26 -5.15 118.70 116.21 3hqf s GLU 59 Ca 0.40 0.19 -0.23 0.00 0.36 0.00 0.00 54.97 55.69 3hqf s GLU 59 Cb 0.28 0.48 -0.04 0.00 0.26 0.00 0.00 34.13 35.11 3hqf s GLU 59 CO 0.16 -0.33 0.68 -1.17 -0.54 0.00 0.00 175.26 174.06 3hqf s LEU 60 N -1.29 4.32 -1.33 2.70 2.96 -1.26 -4.36 118.68 120.41 3hqf s LEU 60 Ca -0.09 1.18 -0.08 0.00 -0.22 0.00 0.00 54.13 54.92 3hqf s LEU 60 Cb -0.00 -3.06 0.00 0.00 0.50 0.00 0.00 46.19 43.63 3hqf s LEU 60 CO 0.07 -0.09 0.51 0.59 -1.32 0.00 0.00 176.35 176.11 3hqf n ASN 61 N 3.68 -1.74 -4.74 3.68 3.02 -1.25 -4.94 115.26 112.97 3hqf n ASN 61 Ca -0.02 -1.04 -0.37 0.00 -0.03 0.00 0.00 54.58 53.12 3hqf n ASN 61 Cb 0.51 -2.98 0.05 0.00 -0.61 0.00 0.00 39.78 36.76 3hqf n ASN 61 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hqf s PRO 62 N -6.51 2.86 0.20 3.52 0.04 -1.25 -4.71 135.00 129.15 3hqf s PRO 62 Ca 0.15 2.08 -0.09 0.00 0.04 0.00 0.00 61.00 63.18 3hqf s PRO 62 Cb -0.06 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 3hqf s PRO 62 CO 0.89 -1.37 0.32 -1.54 0.04 0.00 0.00 177.00 175.35 3hqf s SER 63 N -1.27 0.02 0.08 6.66 1.04 -1.26 -1.88 113.70 117.08 3hqf s SER 63 Ca 0.78 -1.00 -0.15 0.00 0.48 0.00 0.00 55.95 56.06 3hqf s SER 63 Cb -0.37 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.25 3hqf s SER 63 CO 0.41 -0.97 0.35 0.54 0.98 0.00 0.00 173.24 174.55 3hqf s VAL 64 N -4.02 0.08 0.27 5.02 0.11 -0.65 -4.95 120.40 116.25 3hqf s VAL 64 Ca 0.23 -0.66 0.06 0.00 -2.93 0.00 0.00 61.98 58.69 3hqf s VAL 64 Cb 0.03 -1.08 -0.03 0.00 -1.53 0.00 0.00 36.38 33.76 3hqf s VAL 64 CO 0.06 -0.36 0.29 -0.36 -3.33 0.00 0.00 175.10 171.39 3hqf s PHE 65 N -3.19 3.18 0.12 1.54 0.08 -1.26 -1.05 117.98 117.41 3hqf s PHE 65 Ca -0.01 -0.12 -0.23 0.00 0.12 0.00 0.00 56.93 56.69 3hqf s PHE 65 Cb 0.01 -1.57 0.06 0.00 -0.57 0.00 0.00 43.02 40.96 3hqf s PHE 65 CO -0.07 0.40 0.58 -0.48 -0.10 0.00 0.00 175.22 175.54 3hqf s LEU 66 N -3.94 -0.41 -0.19 -0.37 2.34 -0.37 -4.85 118.68 110.89 3hqf s LEU 66 Ca 0.36 0.05 -0.23 0.00 0.06 0.00 0.00 54.13 54.36 3hqf s LEU 66 Cb -0.08 2.45 -0.02 0.00 -0.56 0.00 0.00 46.19 47.99 3hqf s LEU 66 CO 0.27 -0.90 0.76 -0.89 -1.06 0.00 0.00 176.35 174.53 3hqf s THR 67 N -3.38 4.93 -0.22 5.48 2.01 -0.92 0.10 115.64 123.63 3hqf s THR 67 Ca -0.01 1.46 -0.13 0.00 0.31 0.00 0.00 61.69 63.32 3hqf s THR 67 Cb -0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 3hqf s THR 67 CO -0.10 0.04 0.27 0.00 -0.69 0.00 0.00 174.62 174.15 3hqf s ALA 68 N 2.16 3.59 -0.06 7.40 0.00 0.60 -0.97 121.76 134.47 3hqf s ALA 68 Ca 0.34 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.61 3hqf s ALA 68 Cb -0.16 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.50 3hqf s ALA 68 CO 0.11 -0.24 -0.11 -1.58 0.00 0.00 0.00 175.76 173.94 3hqf s HIS 69 N 1.18 1.30 -0.28 0.00 5.65 -0.54 -1.90 115.29 120.70 3hqf s HIS 69 Ca 0.13 -0.45 -0.11 0.00 0.25 0.00 0.00 55.06 54.89 3hqf s HIS 69 Cb -0.14 -0.97 -0.05 0.00 -1.18 0.00 0.00 32.58 30.25 3hqf s HIS 69 CO 0.06 -0.24 0.18 0.08 -0.65 0.00 0.00 174.74 174.17 3hqf s VAL 70 N 0.62 5.18 -0.14 0.89 1.01 -1.26 -0.80 120.40 125.89 3hqf s VAL 70 Ca -0.12 0.10 0.19 0.00 0.00 0.00 0.00 61.98 62.14 3hqf s VAL 70 Cb -0.15 -3.47 -0.15 0.00 0.00 0.00 0.00 36.38 32.61 3hqf s VAL 70 CO 0.03 0.25 0.73 -1.20 0.00 0.00 0.00 175.10 174.91 3hqf n SER 71 N 5.04 0.65 0.06 3.32 7.64 1.00 -4.16 113.62 127.17 3hqf n SER 71 Ca -0.14 0.28 0.12 0.00 1.01 0.00 0.00 58.87 60.13 3hqf n SER 71 Cb 0.52 0.55 0.15 0.00 -1.01 0.00 0.00 64.21 64.42 3hqf n SER 71 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hqf n SER 72 N -2.75 0.69 -4.06 6.43 3.41 -1.22 -4.90 113.62 111.22 3hqf n SER 72 Ca -0.10 0.08 -0.14 0.00 -0.26 0.00 0.00 58.87 58.46 3hqf n SER 72 Cb 0.79 0.25 -0.12 0.00 -0.26 0.00 0.00 64.21 64.87 3hqf n SER 72 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3hqf s HIS 73 N -3.17 0.70 -0.25 7.33 3.76 -1.26 -4.96 115.29 117.44 3hqf s HIS 73 Ca 0.06 -0.47 -0.29 0.00 -0.15 0.00 0.00 55.06 54.21 3hqf s HIS 73 Cb 0.13 -0.42 0.01 0.00 1.11 0.00 0.00 32.58 33.42 3hqf s HIS 73 CO 0.73 -0.07 1.08 0.34 -0.85 0.00 0.00 174.74 175.98 3hqf s ASP 74 N -1.49 7.02 -0.29 1.40 -1.08 -1.26 -4.77 116.67 116.20 3hqf s ASP 74 Ca -0.09 1.31 -0.19 0.00 -0.52 0.00 0.00 52.55 53.07 3hqf s ASP 74 Cb -0.09 -2.54 0.15 0.00 -1.46 0.00 0.00 42.92 38.98 3hqf s ASP 74 CO 0.00 -0.76 1.07 0.00 0.52 0.00 0.00 175.17 176.01 3hqf s PRO 76 N 0.95 3.96 0.73 0.00 0.02 -1.26 -4.74 135.00 134.66 3hqf s PRO 76 Ca -0.05 1.98 -0.16 0.00 0.02 0.00 0.00 61.00 62.80 3hqf s PRO 76 Cb -0.04 -2.67 0.03 0.00 0.02 0.00 0.00 34.50 31.84 3hqf s PRO 76 CO -0.12 -0.45 1.12 -0.25 -0.33 0.00 0.00 177.00 176.97 3hqf n ASP 77 N 0.01 1.04 -4.13 2.53 9.92 -1.26 -4.87 116.55 119.79 3hqf n ASP 77 Ca 0.04 0.68 -0.09 0.00 -0.53 0.00 0.00 54.79 54.89 3hqf n ASP 77 Cb 0.45 -1.48 -0.10 0.00 -0.64 0.00 0.00 41.12 39.36 3hqf n ASP 77 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3hqf s SER 78 N -1.74 0.34 -0.97 -2.24 1.04 -0.80 -4.99 113.70 104.36 3hqf s SER 78 Ca 0.76 -1.16 -0.22 0.00 0.48 0.00 0.00 55.95 55.80 3hqf s SER 78 Cb -0.34 0.28 0.07 0.00 0.10 0.00 0.00 66.02 66.13 3hqf s SER 78 CO 0.48 -0.70 1.36 -1.61 0.98 0.00 0.00 173.24 173.74 3hqf s GLU 79 N -4.02 3.55 0.69 4.02 0.41 -1.26 -0.29 118.70 121.79 3hqf s GLU 79 Ca 0.20 -1.18 -0.11 0.00 -0.41 0.00 0.00 54.97 53.47 3hqf s GLU 79 Cb 0.08 -5.15 0.00 0.00 -1.78 0.00 0.00 34.13 27.28 3hqf s GLU 79 CO -0.01 -2.10 1.08 0.00 -0.49 0.00 0.00 175.26 173.73 3hqf s ALA 80 N 4.54 2.89 -0.16 5.21 0.00 0.28 -4.76 121.76 129.76 3hqf s ALA 80 Ca 0.42 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 3hqf s ALA 80 Cb -0.02 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 20.09 3hqf s ALA 80 CO -0.07 -1.07 -0.03 0.50 0.00 0.00 0.00 175.76 175.09 3hqf s ARG 81 N -5.27 1.18 -0.12 0.00 3.52 0.11 -1.24 118.95 117.12 3hqf s ARG 81 Ca 0.57 -0.44 -0.19 0.00 -0.13 0.00 0.00 55.73 55.55 3hqf s ARG 81 Cb -0.11 -1.93 -0.04 0.00 -1.56 0.00 0.00 34.95 31.31 3hqf s ARG 81 CO 0.53 -0.47 0.49 0.00 -0.81 0.00 0.00 175.30 175.05 3hqf s ALA 82 N 1.71 3.47 -0.01 6.12 0.00 -0.22 -1.27 121.76 131.57 3hqf s ALA 82 Ca 0.01 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.79 3hqf s ALA 82 Cb -0.15 -2.68 -0.00 0.00 0.00 0.00 0.00 23.12 20.28 3hqf s ALA 82 CO -0.07 -0.06 -0.07 0.42 0.00 0.00 0.00 175.76 175.98 3hqf s ILE 83 N 0.75 0.54 -0.60 0.00 1.01 0.11 -1.64 121.20 121.36 3hqf s ILE 83 Ca 0.26 -0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.53 3hqf s ILE 83 Cb -0.15 -0.46 0.15 0.00 0.01 0.00 0.00 42.46 42.01 3hqf s ILE 83 CO 0.11 0.16 0.49 -0.47 0.00 0.00 0.00 174.94 175.23 3hqf s TYR 84 N -0.09 3.48 -0.48 3.97 5.04 -0.79 -0.80 117.35 127.69 3hqf s TYR 84 Ca 0.02 -1.98 -0.28 0.00 -2.44 0.00 0.00 57.07 52.39 3hqf s TYR 84 Cb -0.03 -3.57 0.01 0.00 0.35 0.00 0.00 41.96 38.71 3hqf s TYR 84 CO -0.00 -0.97 1.49 0.71 -1.34 0.00 0.00 175.55 175.44 3hqf s TYR 85 N 0.83 2.23 -0.12 4.97 2.02 0.95 -3.74 117.35 124.49 3hqf s TYR 85 Ca 0.10 0.60 0.16 0.00 -0.37 0.00 0.00 57.07 57.56 3hqf s TYR 85 Cb -0.22 -4.31 0.37 0.00 -0.40 0.00 0.00 41.96 37.41 3hqf s TYR 85 CO -0.03 -2.11 1.18 0.27 -1.57 0.00 0.00 175.55 173.29 3hqf n ASN 86 N 9.57 1.44 0.05 2.29 6.94 -1.26 -0.49 115.26 133.81 3hqf n ASN 86 Ca 0.16 -3.06 0.05 0.00 -0.02 0.00 0.00 54.58 51.71 3hqf n ASN 86 Cb 0.49 -0.42 0.25 0.00 -2.36 0.00 0.00 39.78 37.73 3hqf n ASN 86 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3hqf n SER 87 N -0.58 0.19 0.21 0.53 3.41 -0.80 -1.43 113.62 115.15 3hqf n SER 87 Ca 0.13 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 3hqf n SER 87 Cb 0.82 -0.61 0.66 0.00 -0.26 0.00 0.00 64.21 64.83 3hqf n SER 87 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3hqf h ARG 88 N 0.00 0.00 0.00 4.33 3.08 -0.66 0.32 114.38 121.44 3hqf h ARG 88 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3hqf h ARG 88 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3hqf h ARG 88 CO 0.00 0.00 -0.32 0.45 -1.07 0.00 0.00 179.97 179.03 3hqf h HIS 89 N 0.00 0.00 -0.80 3.04 3.86 -1.49 -3.28 115.15 116.48 3hqf h HIS 89 Ca 0.05 0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.83 3hqf h HIS 89 Cb 0.19 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 28.41 3hqf h HIS 89 CO 0.00 0.32 0.43 1.19 0.86 0.00 0.00 177.93 180.73 3hqf n PHE 90 N -3.27 2.49 -0.53 2.45 3.72 0.85 -4.90 117.46 118.28 3hqf n PHE 90 Ca 0.02 -1.86 0.00 0.00 -0.05 0.00 0.00 57.45 55.55 3hqf n PHE 90 Cb 0.59 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 38.29 3hqf n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hqf n GLY 91 N -1.12 0.75 0.00 1.37 0.00 -0.99 -5.03 105.19 100.16 3hqf n GLY 91 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 3hqf n GLY 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hqf n LYS 92 N -2.28 3.03 0.00 1.61 5.02 0.30 -5.00 118.16 120.85 3hqf n LYS 92 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hqf n LYS 92 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3hqf n LYS 92 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3hqf n THR 93 N 0.00 0.00 -2.99 -0.18 -2.24 -1.26 -3.96 114.28 103.64 3hqf n THR 93 Ca 0.00 -0.19 -0.37 0.00 -2.27 0.00 0.00 64.05 61.22 3hqf n THR 93 Cb 0.00 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 3hqf n THR 93 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hqf s ARG 94 N -0.83 4.39 -0.48 -0.78 1.81 -1.26 -4.58 118.95 117.22 3hqf s ARG 94 Ca 0.00 1.04 0.06 0.00 -1.72 0.00 0.00 55.73 55.11 3hqf s ARG 94 Cb 0.00 -2.91 0.25 0.00 -0.45 0.00 0.00 34.95 31.84 3hqf s ARG 94 CO 0.00 0.39 0.90 -1.71 -0.68 0.00 0.00 175.30 174.20 3hqf n ASN 95 N 0.80 -2.62 -3.81 0.23 5.15 -1.03 -0.14 115.26 113.84 3hqf n ASN 95 Ca -0.02 -3.33 -0.10 0.00 -0.60 0.00 0.00 54.58 50.53 3hqf n ASN 95 Cb 0.50 1.70 -0.05 0.00 -0.53 0.00 0.00 39.78 41.40 3hqf n ASN 95 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3hqf s GLU 96 N 0.50 1.25 0.20 1.20 -1.05 0.36 -5.00 118.70 116.17 3hqf s GLU 96 Ca 0.31 -0.96 0.06 0.00 -0.15 0.00 0.00 54.97 54.22 3hqf s GLU 96 Cb 0.24 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.35 3hqf s GLU 96 CO -0.21 -0.50 0.16 0.15 0.95 0.00 0.00 175.26 175.81 3hqf s LYS 97 N -3.90 2.92 -0.01 -4.83 3.01 -1.26 -0.04 119.74 115.63 3hqf s LYS 97 Ca 0.11 -0.94 -0.27 0.00 -1.01 0.00 0.00 55.97 53.86 3hqf s LYS 97 Cb 0.01 -2.62 0.06 0.00 -1.01 0.00 0.00 37.83 34.28 3hqf s LYS 97 CO -0.03 0.45 0.61 0.50 0.51 0.00 0.00 175.35 177.40 3hqf s ARG 98 N -3.41 1.05 -0.18 1.68 3.52 0.02 -3.09 118.95 118.55 3hqf s ARG 98 Ca 0.32 0.06 0.01 0.00 -0.13 0.00 0.00 55.73 55.99 3hqf s ARG 98 Cb -0.09 0.49 0.02 0.00 -1.56 0.00 0.00 34.95 33.81 3hqf s ARG 98 CO 0.24 -0.35 -0.20 0.42 -0.81 0.00 0.00 175.30 174.60 3hqf s ILE 99 N -1.71 2.04 0.53 4.11 1.01 -0.41 0.04 121.20 126.82 3hqf s ILE 99 Ca -0.09 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.65 3hqf s ILE 99 Cb -0.01 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.63 3hqf s ILE 99 CO 0.05 0.54 0.13 0.42 0.00 0.00 0.00 174.94 176.08 3hqf s THR 100 N 1.26 1.22 -0.57 2.92 -4.23 -0.40 0.62 115.64 116.46 3hqf s THR 100 Ca 0.04 -1.84 -0.00 0.00 -1.18 0.00 0.00 61.69 58.71 3hqf s THR 100 Cb -0.13 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.65 3hqf s THR 100 CO -0.12 0.00 0.48 0.54 -0.54 0.00 0.00 174.62 174.98 3hqf n ARG 101 N -1.46 -3.16 0.12 3.99 1.74 -1.22 -0.71 116.66 115.95 3hqf n ARG 101 Ca -0.15 0.40 0.02 0.00 -0.77 0.00 0.00 57.85 57.35 3hqf n ARG 101 Cb 0.66 -4.10 0.00 0.00 -1.02 0.00 0.00 32.46 28.00 3hqf n ARG 101 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3hqf h TRP 102 N -0.91 0.00 0.00 -1.55 -0.00 -1.90 -3.34 115.95 108.25 3hqf h TRP 102 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.61 3hqf h TRP 102 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.32 3hqf h TRP 102 CO 0.21 0.52 0.00 0.41 -0.00 0.00 0.00 178.44 179.58 3hqf n GLY 103 N 1.26 2.41 0.24 1.49 0.00 -1.26 -4.46 105.19 104.86 3hqf n GLY 103 Ca -0.00 -1.75 0.09 0.00 0.00 0.00 0.00 46.02 44.36 3hqf n GLY 103 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hqf h ARG 104 N 0.00 0.00 -0.08 1.61 2.43 -1.97 -2.98 114.38 113.40 3hqf h ARG 104 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hqf h ARG 104 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3hqf h ARG 104 CO 0.00 0.20 0.00 0.41 -1.51 0.00 0.00 179.97 179.07 3hqf n GLY 105 N -0.55 0.31 3.76 2.80 0.00 -1.26 -4.72 105.19 105.53 3hqf n GLY 105 Ca -0.02 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 3hqf n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hqf s SER 106 N -1.86 5.43 0.38 1.61 0.15 -1.13 -4.92 113.70 113.37 3hqf s SER 106 Ca 0.35 2.31 0.27 0.00 0.70 0.00 0.00 55.95 59.58 3hqf s SER 106 Cb 0.20 -2.59 1.31 0.00 -1.71 0.00 0.00 66.02 63.23 3hqf s SER 106 CO 0.31 -1.42 1.83 1.55 1.20 0.00 0.00 173.24 176.70 3hqf h PRO 107 N 1.05 0.00 -0.00 5.44 0.13 -1.93 -1.76 132.00 134.93 3hqf h PRO 107 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3hqf h PRO 107 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3hqf h PRO 107 CO 0.56 0.00 -0.00 1.28 -0.23 0.00 0.00 178.00 179.61 3hqf n LEU 108 N -2.49 0.09 -0.07 1.56 4.32 -1.26 -3.17 117.00 115.98 3hqf n LEU 108 Ca -0.00 0.02 0.02 0.00 -0.02 0.00 0.00 56.01 56.02 3hqf n LEU 108 Cb 0.15 -0.05 0.02 0.00 -1.62 0.00 0.00 43.42 41.93 3hqf n LEU 108 CO 0.17 0.01 0.41 0.00 -1.22 0.00 0.00 177.39 176.77 3hqf n GLN 109 N -0.98 1.48 -3.21 3.23 1.13 -0.68 -4.26 117.38 114.08 3hqf n GLN 109 Ca 0.22 -1.31 -0.41 0.00 -1.94 0.00 0.00 57.00 53.55 3hqf n GLN 109 Cb 0.15 -0.87 -0.08 0.00 0.11 0.00 0.00 30.24 29.55 3hqf n GLN 109 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3hqf s ASP 110 N -1.00 6.34 0.66 1.08 -1.08 -1.09 -4.75 116.67 116.83 3hqf s ASP 110 Ca 0.05 0.02 0.36 0.00 -0.52 0.00 0.00 52.55 52.46 3hqf s ASP 110 Cb 0.04 -2.28 1.97 0.00 -1.46 0.00 0.00 42.92 41.19 3hqf s ASP 110 CO 0.00 -0.50 2.12 -0.65 0.52 0.00 0.00 175.17 176.66 3hqf h PRO 111 N 8.45 0.00 0.00 4.34 0.11 -1.91 -1.28 132.00 141.72 3hqf h PRO 111 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3hqf h PRO 111 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hqf h PRO 111 CO 0.79 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 179.48 3hqf h GLU 112 N 0.00 0.00 -0.16 1.05 5.08 -1.93 -2.99 114.58 115.63 3hqf h GLU 112 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hqf h GLU 112 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3hqf h GLU 112 CO -0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 3hqf n ASN 113 N -2.69 0.64 -4.67 1.42 3.02 -0.48 -4.86 115.26 107.64 3hqf n ASN 113 Ca 0.05 -2.01 -0.42 0.00 -0.03 0.00 0.00 54.58 52.17 3hqf n ASN 113 Cb 0.48 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 3hqf n ASN 113 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hqf s THR 114 N -1.82 2.85 0.00 3.41 2.01 -1.13 -0.73 115.64 120.23 3hqf s THR 114 Ca 0.07 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.09 3hqf s THR 114 Cb 0.04 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.54 3hqf s THR 114 CO 0.05 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 3hqf n GLY 115 N 4.45 0.94 3.75 4.40 0.00 0.29 -4.94 105.19 114.07 3hqf n GLY 115 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3hqf n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqf s ALA 116 N -2.44 3.58 -0.29 4.61 0.00 0.09 -4.54 121.76 122.78 3hqf s ALA 116 Ca 0.00 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 3hqf s ALA 116 Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 3hqf s ALA 116 CO 0.00 -0.67 1.45 -1.17 0.00 0.00 0.00 175.76 175.38 3hqf s LEU 117 N -0.50 3.82 0.10 0.00 2.96 -1.26 -0.68 118.68 123.13 3hqf s LEU 117 Ca 0.57 1.30 0.08 0.00 -0.22 0.00 0.00 54.13 55.87 3hqf s LEU 117 Cb -0.40 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.72 3hqf s LEU 117 CO 0.43 -1.23 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.17 3hqf s THR 118 N 4.95 2.87 -0.12 3.68 2.01 1.00 -1.01 115.64 129.02 3hqf s THR 118 Ca 0.64 -1.42 0.01 0.00 0.31 0.00 0.00 61.69 61.23 3hqf s THR 118 Cb -0.19 -2.30 0.02 0.00 0.01 0.00 0.00 72.50 70.04 3hqf s THR 118 CO 0.27 0.15 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.00 3hqf s LEU 119 N -2.00 1.58 -0.29 4.42 0.20 -0.20 -1.63 118.68 120.77 3hqf s LEU 119 Ca 0.17 -0.40 -0.08 0.00 0.69 0.00 0.00 54.13 54.51 3hqf s LEU 119 Cb -0.11 -1.03 -0.01 0.00 -0.43 0.00 0.00 46.19 44.61 3hqf s LEU 119 CO 0.09 -0.03 0.12 -0.76 -0.29 0.00 0.00 176.35 175.48 3hqf s LEU 120 N 1.25 3.85 -0.46 -0.68 1.02 0.14 -0.89 118.68 122.90 3hqf s LEU 120 Ca -0.02 -0.43 -0.16 0.00 0.02 0.00 0.00 54.13 53.55 3hqf s LEU 120 Cb -0.14 -1.96 0.06 0.00 0.02 0.00 0.00 46.19 44.17 3hqf s LEU 120 CO -0.05 -0.14 0.39 0.00 0.02 0.00 0.00 176.35 176.58 3hqf s ALA 121 N 1.60 3.54 -0.13 4.21 0.00 0.15 -1.18 121.76 129.95 3hqf s ALA 121 Ca 0.05 -2.02 -0.25 0.00 0.00 0.00 0.00 51.96 49.74 3hqf s ALA 121 Cb -0.16 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3hqf s ALA 121 CO 0.05 -1.70 0.79 -0.06 0.00 0.00 0.00 175.76 174.84 3hqf s PHE 122 N 1.71 3.47 -0.30 0.00 0.08 0.54 0.46 117.98 123.94 3hqf s PHE 122 Ca 0.05 1.25 -0.27 0.00 0.12 0.00 0.00 56.93 58.08 3hqf s PHE 122 Cb -0.23 -2.94 0.01 0.00 -0.57 0.00 0.00 43.02 39.29 3hqf s PHE 122 CO 0.08 -0.13 0.97 0.21 -0.10 0.00 0.00 175.22 176.25 3hqf s LYS 123 N 1.68 4.06 0.40 0.44 2.47 -0.09 -0.83 119.74 127.86 3hqf s LYS 123 Ca 0.38 0.95 -0.25 0.00 -1.56 0.00 0.00 55.97 55.49 3hqf s LYS 123 Cb -0.17 -3.72 -0.09 0.00 -1.46 0.00 0.00 37.83 32.39 3hqf s LYS 123 CO 0.15 -0.79 1.09 -0.51 0.16 0.00 0.00 175.35 175.45 3hqf s LEU 124 N 3.36 4.17 -0.41 5.43 1.43 -0.51 -4.10 118.68 128.05 3hqf s LEU 124 Ca 0.41 2.16 -0.26 0.00 -1.03 0.00 0.00 54.13 55.41 3hqf s LEU 124 Cb -0.13 -4.11 0.02 0.00 0.03 0.00 0.00 46.19 42.00 3hqf s LEU 124 CO 0.13 -0.56 0.95 -0.62 0.23 0.00 0.00 176.35 176.48 3hqf s ASP 125 N -1.39 6.61 0.00 2.29 2.15 -1.26 -4.90 116.67 120.18 3hqf s ASP 125 Ca 0.57 0.40 0.12 0.00 0.43 0.00 0.00 52.55 54.07 3hqf s ASP 125 Cb -0.26 -2.47 0.70 0.00 -0.30 0.00 0.00 42.92 40.60 3hqf s ASP 125 CO 0.32 -0.98 1.43 -0.62 -0.17 0.00 0.00 175.17 175.15 3hqf n GLU 126 N 7.05 0.97 0.00 4.34 1.02 -1.26 -2.79 120.64 129.97 3hqf n GLU 126 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3hqf n GLU 126 Cb 0.48 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 3hqf n GLU 126 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hqf n GLN 127 N -0.69 -0.21 0.00 3.49 3.00 -1.26 -5.02 117.38 116.69 3hqf n GLN 127 Ca 0.09 -0.41 0.00 0.00 -0.01 0.00 0.00 57.00 56.67 3hqf n GLN 127 Cb 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 30.24 29.38 3hqf n GLN 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hqf n GLY 128 N 0.09 1.14 0.00 1.08 0.00 -1.12 -5.10 105.19 101.27 3hqf n GLY 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hqf n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqf n GLY 129 N -0.30 1.83 3.77 -0.02 0.00 -1.26 -5.02 105.19 104.19 3hqf n GLY 129 Ca 0.00 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 3hqf n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hqf s ASP 130 N -1.00 7.21 0.29 1.61 1.01 -1.26 -4.60 116.67 119.92 3hqf s ASP 130 Ca 0.00 2.04 -0.29 0.00 0.71 0.00 0.00 52.55 55.01 3hqf s ASP 130 Cb 0.00 -2.60 -0.13 0.00 1.01 0.00 0.00 42.92 41.20 3hqf s ASP 130 CO 0.00 -0.17 1.27 0.00 0.21 0.00 0.00 175.17 176.48 3hqf n LYS 132 N 1.17 1.25 -3.64 0.00 4.76 -1.26 -4.83 118.16 115.62 3hqf n LYS 132 Ca 0.09 -1.17 -0.09 0.00 -2.87 0.00 0.00 58.31 54.26 3hqf n LYS 132 Cb 0.33 -1.06 -0.07 0.00 -1.84 0.00 0.00 35.03 32.39 3hqf n LYS 132 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3hqf s GLU 133 N -0.63 0.53 -0.04 1.97 2.12 -1.26 -2.17 118.70 119.21 3hqf s GLU 133 Ca 0.05 0.67 0.02 0.00 0.36 0.00 0.00 54.97 56.07 3hqf s GLU 133 Cb 0.03 0.24 0.01 0.00 0.26 0.00 0.00 34.13 34.67 3hqf s GLU 133 CO 0.04 -0.07 -0.08 0.54 -0.54 0.00 0.00 175.26 175.15 3hqf s VAL 134 N 0.42 0.79 -0.22 3.70 0.11 -0.14 -0.91 120.40 124.14 3hqf s VAL 134 Ca 0.01 -0.31 -0.09 0.00 -2.93 0.00 0.00 61.98 58.67 3hqf s VAL 134 Cb -0.05 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 3hqf s VAL 134 CO -0.07 0.27 0.11 0.20 -3.33 0.00 0.00 175.10 172.28 3hqf s ASN 135 N 0.58 5.79 -0.10 3.54 0.02 0.17 -1.47 114.94 123.48 3hqf s ASN 135 Ca -0.10 0.05 -0.03 0.00 -1.02 0.00 0.00 52.86 51.77 3hqf s ASN 135 Cb -0.13 -2.03 -0.03 0.00 0.02 0.00 0.00 41.25 39.08 3hqf s ASN 135 CO 0.01 0.09 0.03 -0.63 0.02 0.00 0.00 177.10 176.62 3hqf s ILE 136 N 0.88 4.54 -0.13 0.60 1.01 0.02 0.32 121.20 128.43 3hqf s ILE 136 Ca 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 3hqf s ILE 136 Cb -0.13 -2.93 0.04 0.00 0.01 0.00 0.00 42.46 39.45 3hqf s ILE 136 CO 0.03 0.60 -0.00 0.86 0.00 0.00 0.00 174.94 176.42 3hqf s TRP 137 N -0.82 1.02 -0.30 3.97 -0.11 -0.07 -0.00 118.94 122.63 3hqf s TRP 137 Ca 0.13 -0.58 -0.12 0.00 1.22 0.00 0.00 56.10 56.75 3hqf s TRP 137 Cb -0.12 -0.99 -0.04 0.00 -1.50 0.00 0.00 33.47 30.82 3hqf s TRP 137 CO 0.02 -0.48 0.21 0.08 -4.62 0.00 0.00 176.95 172.16 3hqf s VAL 138 N 1.86 5.27 0.32 5.86 1.01 -1.26 -1.03 120.40 132.42 3hqf s VAL 138 Ca 0.03 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 3hqf s VAL 138 Cb -0.14 -3.59 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 3hqf s VAL 138 CO -0.07 0.15 1.51 0.00 0.00 0.00 0.00 175.10 176.69 3hqf n ALA 140 N 1.51 3.63 -2.90 0.00 0.00 -1.26 -4.68 120.51 116.82 3hqf n ALA 140 Ca 0.05 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.87 3hqf n ALA 140 Cb 0.39 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 3hqf n ALA 140 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hqf s SER 141 N -3.87 -0.06 0.48 0.00 1.04 -1.26 -5.03 113.70 104.99 3hqf s SER 141 Ca 0.00 -0.68 0.14 0.00 0.48 0.00 0.00 55.95 55.88 3hqf s SER 141 Cb 0.15 0.47 1.10 0.00 0.10 0.00 0.00 66.02 67.84 3hqf s SER 141 CO 0.87 -0.92 2.08 0.74 0.98 0.00 0.00 173.24 176.99 3hqf h THR 142 N 2.45 1.06 -0.34 2.02 2.02 -1.99 -2.37 112.91 115.76 3hqf h THR 142 Ca -0.31 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 66.69 3hqf h THR 142 Cb 1.24 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 3hqf h THR 142 CO 0.46 0.08 0.06 0.44 0.37 0.00 0.00 175.52 176.93 3hqf h ASP 143 N 0.11 0.01 -0.42 4.18 5.19 -1.96 0.29 116.42 123.81 3hqf h ASP 143 Ca 0.03 0.06 -0.14 0.00 -0.62 0.00 0.00 57.03 56.35 3hqf h ASP 143 Cb 0.09 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 3hqf h ASP 143 CO 0.00 0.04 -0.29 -0.33 -3.12 0.00 0.00 179.24 175.54 3hqf h GLU 144 N 0.18 0.95 -0.90 3.56 5.08 -1.70 -2.87 114.58 118.88 3hqf h GLU 144 Ca 0.16 -0.45 0.07 0.00 -1.00 0.00 0.00 59.36 58.14 3hqf h GLU 144 Cb 0.18 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 3hqf h GLU 144 CO -0.21 1.12 0.58 0.93 -1.00 0.00 0.00 179.01 180.43 3hqf h GLU 145 N 0.78 0.96 0.00 2.33 5.08 -1.03 -2.06 114.58 120.64 3hqf h GLU 145 Ca 0.08 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3hqf h GLU 145 Cb 0.88 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3hqf h GLU 145 CO 0.08 0.63 -0.21 -0.44 -1.00 0.00 0.00 179.01 178.08 3hqf h ASP 146 N 0.99 0.00 -0.46 1.42 3.32 -0.72 -0.53 116.42 120.44 3hqf h ASP 146 Ca 0.39 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.38 3hqf h ASP 146 Cb 0.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3hqf h ASP 146 CO -0.15 0.21 0.05 0.58 -1.72 0.00 0.00 179.24 178.21 3hqf h VAL 147 N 0.00 1.25 0.07 -1.35 2.07 -1.34 0.55 116.25 117.50 3hqf h VAL 147 Ca -0.00 -0.95 -0.15 0.00 0.82 0.00 0.00 66.70 66.41 3hqf h VAL 147 Cb 0.38 0.97 0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3hqf h VAL 147 CO 0.03 0.33 -0.64 0.40 0.02 0.00 0.00 177.57 177.71 3hqf h ILE 148 N 0.64 1.50 -0.20 4.57 2.04 -1.56 -2.50 117.51 121.99 3hqf h ILE 148 Ca 0.14 -2.29 -0.11 0.00 1.00 0.00 0.00 64.86 63.60 3hqf h ILE 148 Cb 0.42 2.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.42 3hqf h ILE 148 CO 0.01 0.65 -0.33 -0.33 0.00 0.00 0.00 178.15 178.16 3hqf h GLU 149 N -0.31 0.42 -0.54 2.37 5.08 -0.95 0.16 114.58 120.81 3hqf h GLU 149 Ca -0.10 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3hqf h GLU 149 Cb 1.43 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.63 3hqf h GLU 149 CO 0.12 0.70 0.35 1.15 -1.00 0.00 0.00 179.01 180.33 3hqf h THR 150 N 0.36 1.12 -0.18 1.13 2.02 -0.00 -0.62 112.91 116.73 3hqf h THR 150 Ca 0.04 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 3hqf h THR 150 Cb 0.75 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3hqf h THR 150 CO 0.06 0.13 -0.32 0.00 0.37 0.00 0.00 175.52 175.76 3hqf h ALA 151 N 1.20 0.29 -0.03 6.16 0.00 -0.68 -3.39 119.26 122.81 3hqf h ALA 151 Ca 0.20 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hqf h ALA 151 Cb -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hqf h ALA 151 CO -0.05 0.32 0.00 0.44 0.00 0.00 0.00 179.25 179.96 3hqf n ILE 152 N -4.34 0.43 0.00 0.00 -5.35 0.41 -4.81 119.36 105.70 3hqf n ILE 152 Ca -0.06 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.71 3hqf n ILE 152 Cb 0.49 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 39.19 3hqf n ILE 152 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hqf n GLY 153 N -0.08 0.54 3.69 3.28 0.00 -0.24 -4.98 105.19 107.41 3hqf n GLY 153 Ca 0.02 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 3hqf n GLY 153 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hqf n GLU 154 N 0.64 2.11 -3.76 1.61 2.13 -1.25 -4.33 120.64 117.77 3hqf n GLU 154 Ca 0.00 0.74 -0.36 0.00 0.66 0.00 0.00 57.16 58.20 3hqf n GLU 154 Cb 0.00 -2.33 -0.12 0.00 0.27 0.00 0.00 31.44 29.26 3hqf n GLU 154 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3hqf s VAL 155 N -0.90 4.63 -0.13 6.31 1.01 -1.26 -5.08 120.40 124.98 3hqf s VAL 155 Ca 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3hqf s VAL 155 Cb -0.58 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 3hqf s VAL 155 CO 0.60 0.34 -0.14 -0.63 0.00 0.00 0.00 175.10 175.27 3hqf s ILE 156 N 1.44 2.95 0.22 2.22 1.01 -1.26 -4.84 121.20 122.94 3hqf s ILE 156 Ca 0.06 -0.69 -0.29 0.00 0.00 0.00 0.00 60.65 59.73 3hqf s ILE 156 Cb -0.15 -2.24 -0.16 0.00 0.01 0.00 0.00 42.46 39.92 3hqf s ILE 156 CO 0.05 0.52 0.76 -2.65 0.00 0.00 0.00 174.94 173.62 3hqf n PRO 157 N 3.64 0.55 0.00 2.79 -0.02 -1.26 -1.23 135.00 139.47 3hqf n PRO 157 Ca -0.18 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3hqf n PRO 157 Cb 0.53 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 3hqf n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqf n GLY 158 N 1.71 2.99 3.19 -1.23 0.00 -1.26 -4.95 105.19 105.63 3hqf n GLY 158 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3hqf n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqf s ALA 159 N -1.55 3.62 0.14 4.61 0.00 -0.36 -5.03 121.76 123.19 3hqf s ALA 159 Ca 0.00 -3.01 -0.20 0.00 0.00 0.00 0.00 51.96 48.75 3hqf s ALA 159 Cb 0.00 -2.91 -0.07 0.00 0.00 0.00 0.00 23.12 20.13 3hqf s ALA 159 CO 0.00 -2.07 0.66 -0.51 0.00 0.00 0.00 175.76 173.84 3hqf s LEU 160 N 0.52 4.48 -0.10 0.00 1.02 -1.26 -4.54 118.68 118.78 3hqf s LEU 160 Ca 0.13 1.38 0.03 0.00 0.02 0.00 0.00 54.13 55.69 3hqf s LEU 160 Cb -0.20 -3.22 -0.01 0.00 0.02 0.00 0.00 46.19 42.78 3hqf s LEU 160 CO -0.04 0.18 -0.19 -0.63 0.02 0.00 0.00 176.35 175.68 3hqf s ILE 161 N -1.27 2.50 0.05 -0.59 1.01 -1.01 -5.04 121.20 116.85 3hqf s ILE 161 Ca 0.35 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 59.95 3hqf s ILE 161 Cb -0.19 -1.99 0.04 0.00 0.01 0.00 0.00 42.46 40.32 3hqf s ILE 161 CO 0.21 0.55 0.41 -0.94 0.00 0.00 0.00 174.94 175.18 3hqf s SER 162 N 0.23 -0.28 0.00 3.58 1.04 -1.26 -0.45 113.70 116.56 3hqf s SER 162 Ca -0.12 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.29 3hqf s SER 162 Cb -0.16 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3hqf s SER 162 CO 0.07 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.22 3hqf n GLY 163 N 0.46 2.59 3.77 7.32 0.00 -0.06 -4.97 105.19 114.30 3hqf n GLY 163 Ca -0.18 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 3hqf n GLY 163 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hqf s PRO 164 N -2.00 4.17 0.24 1.61 0.04 -1.26 0.88 135.00 138.67 3hqf s PRO 164 Ca 0.00 2.32 -0.08 0.00 0.04 0.00 0.00 61.00 63.29 3hqf s PRO 164 Cb 0.00 -2.95 0.40 0.00 0.04 0.00 0.00 34.50 31.99 3hqf s PRO 164 CO 0.00 -0.39 1.65 0.00 0.04 0.00 0.00 177.00 178.30 3hqf h ALA 165 N 3.07 0.75 0.00 8.56 0.00 -0.64 -0.47 119.26 130.52 3hqf h ALA 165 Ca -0.50 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hqf h ALA 165 Cb 1.24 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3hqf h ALA 165 CO 0.64 -0.41 0.00 0.78 0.00 0.00 0.00 179.25 180.27 3hqf h GLY 166 N 0.12 0.00 0.00 0.00 0.00 -1.81 -0.61 103.07 100.77 3hqf h GLY 166 Ca 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.68 3hqf h GLY 166 CO -0.62 0.00 -1.09 -0.18 0.00 0.00 0.00 176.54 174.64 3hqf n GLN 167 N -2.62 0.53 -0.31 4.80 7.27 -0.26 -3.57 117.38 123.22 3hqf n GLN 167 Ca -0.02 0.23 0.07 0.00 0.07 0.00 0.00 57.00 57.35 3hqf n GLN 167 Cb 0.05 -1.45 0.22 0.00 2.41 0.00 0.00 30.24 31.47 3hqf n GLN 167 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 3hqf h ILE 168 N -1.00 0.79 -0.40 1.69 1.08 -1.30 -2.73 117.51 115.65 3hqf h ILE 168 Ca -0.06 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3hqf h ILE 168 Cb 1.02 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 3hqf h ILE 168 CO -0.03 0.13 0.00 0.18 -0.69 0.00 0.00 178.15 177.74 3hqf n LEU 169 N -4.81 4.42 0.28 1.44 4.77 -0.24 -4.45 117.00 118.42 3hqf n LEU 169 Ca 0.17 -2.85 0.17 0.00 -0.03 0.00 0.00 56.01 53.47 3hqf n LEU 169 Cb 0.40 -0.56 0.68 0.00 -2.33 0.00 0.00 43.42 41.61 3hqf n LEU 169 CO 0.23 0.68 0.99 1.23 -1.33 0.00 0.00 177.39 179.19 3hqf h GLY 170 N 2.67 0.00 -0.09 -0.72 0.00 -1.53 -2.93 103.07 100.47 3hqf h GLY 170 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hqf h GLY 170 CO 0.28 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.43 3hqf n GLY 171 N 0.02 -0.35 0.00 4.60 0.00 -1.26 -5.08 105.19 103.12 3hqf n GLY 171 Ca 0.00 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.87 3hqf n GLY 171 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36