#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqo h GLN 2 N 0.00 1.16 -0.13 4.33 5.75 -2.06 -2.26 115.11 121.90 3hqo h GLN 2 Ca 0.00 -0.15 -0.12 0.00 -0.15 0.00 0.00 58.65 58.23 3hqo h GLN 2 Cb 0.00 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.32 3hqo h GLN 2 CO 0.00 0.87 -0.45 1.25 -2.65 0.00 0.00 178.83 177.85 3hqo h LEU 3 N 1.16 0.33 -0.39 -2.39 6.46 -2.07 -2.17 115.31 116.24 3hqo h LEU 3 Ca 0.29 -0.15 -0.15 0.00 -0.12 0.00 0.00 57.88 57.74 3hqo h LEU 3 Cb 0.06 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 3hqo h LEU 3 CO -0.04 0.74 -0.36 0.00 -0.62 0.00 0.00 178.44 178.16 3hqo h ALA 4 N 1.28 0.57 -0.04 1.25 0.00 -1.96 -3.12 119.26 117.24 3hqo h ALA 4 Ca 0.02 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 3hqo h ALA 4 Cb 0.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3hqo h ALA 4 CO 0.07 0.66 -0.37 1.25 0.00 0.00 0.00 179.25 180.87 3hqo h HIS 5 N 0.76 0.08 0.00 0.00 -0.00 -1.26 -2.69 115.15 112.05 3hqo h HIS 5 Ca 0.07 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.39 3hqo h HIS 5 Cb 0.95 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.34 3hqo h HIS 5 CO 0.06 0.43 -0.16 -0.91 -0.00 0.00 0.00 177.93 177.36 3hqo h ASN 6 N 0.06 0.00 1.68 3.26 4.21 -1.33 -2.90 115.58 120.57 3hqo h ASN 6 Ca 0.01 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 3hqo h ASN 6 Cb 0.68 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.88 3hqo h ASN 6 CO 0.05 0.16 -0.02 -0.07 -1.29 0.00 0.00 177.43 176.26 3hqo h LEU 7 N 0.00 0.00 -0.18 1.61 3.38 -1.49 -3.16 115.31 115.47 3hqo h LEU 7 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hqo h LEU 7 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hqo h LEU 7 CO 0.02 0.02 -0.30 0.35 0.09 0.00 0.00 178.44 178.62 3hqo n THR 8 N -3.11 0.00 -1.76 0.22 -2.24 -1.09 -4.93 114.28 101.38 3hqo n THR 8 Ca 0.03 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.46 3hqo n THR 8 Cb 0.47 0.13 0.06 0.00 -2.10 0.00 0.00 70.33 68.89 3hqo n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hqo s LEU 9 N -2.77 2.83 -0.14 3.22 1.43 -1.20 -5.09 118.68 116.97 3hqo s LEU 9 Ca 0.18 1.23 -0.26 0.00 -1.03 0.00 0.00 54.13 54.25 3hqo s LEU 9 Cb 0.19 -3.98 0.06 0.00 0.03 0.00 0.00 46.19 42.49 3hqo s LEU 9 CO 0.59 -1.53 0.64 -0.55 0.23 0.00 0.00 176.35 175.72 3hqo s SER 10 N -4.17 -0.63 0.49 2.29 0.15 -1.26 -5.04 113.70 105.52 3hqo s SER 10 Ca 0.59 0.94 0.19 0.00 0.70 0.00 0.00 55.95 58.36 3hqo s SER 10 Cb -0.12 0.89 1.21 0.00 -1.71 0.00 0.00 66.02 66.29 3hqo s SER 10 CO 0.53 -0.42 2.06 0.16 1.20 0.00 0.00 173.24 176.77 3hqo h ILE 11 N 3.58 0.95 -0.00 6.45 3.07 -2.02 -2.79 117.51 126.75 3hqo h ILE 11 Ca -0.28 -0.44 0.00 0.00 1.55 0.00 0.00 64.86 65.69 3hqo h ILE 11 Cb 1.15 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 38.95 3hqo h ILE 11 CO 0.25 0.12 -0.08 0.49 -1.05 0.00 0.00 178.15 177.88 3hqo n PHE 12 N -4.19 0.00 -1.67 0.16 3.72 -1.26 -4.89 117.46 109.33 3hqo n PHE 12 Ca -0.02 0.00 -0.54 0.00 -0.05 0.00 0.00 57.45 56.84 3hqo n PHE 12 Cb 0.20 -0.44 -0.06 0.00 -0.94 0.00 0.00 39.48 38.24 3hqo n PHE 12 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3hqo n ASP 13 N -1.46 2.70 -4.78 4.37 8.00 -1.05 -4.89 116.55 119.43 3hqo n ASP 13 Ca 0.08 0.97 -0.41 0.00 0.71 0.00 0.00 54.79 56.13 3hqo n ASP 13 Cb 0.33 -1.23 -0.01 0.00 -0.02 0.00 0.00 41.12 40.20 3hqo n ASP 13 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3hqo s PRO 14 N 4.06 4.16 0.64 -0.24 0.02 -1.26 -4.98 135.00 137.40 3hqo s PRO 14 Ca 0.98 2.50 -0.14 0.00 0.02 0.00 0.00 61.00 64.36 3hqo s PRO 14 Cb -0.93 -2.99 -0.01 0.00 0.02 0.00 0.00 34.50 30.58 3hqo s PRO 14 CO 0.60 -0.47 1.07 0.14 -0.33 0.00 0.00 177.00 178.00 3hqo s VAL 15 N -1.06 3.78 0.84 3.83 -7.23 -1.26 -5.02 120.40 114.28 3hqo s VAL 15 Ca 0.52 0.75 -0.12 0.00 -1.81 0.00 0.00 61.98 61.32 3hqo s VAL 15 Cb -0.45 -3.33 0.10 0.00 0.56 0.00 0.00 36.38 33.27 3hqo s VAL 15 CO 0.60 -0.59 1.16 0.00 -0.31 0.00 0.00 175.10 175.96 3hqo s ALA 16 N -2.64 1.75 -2.07 1.32 0.00 -1.26 -4.92 121.76 113.93 3hqo s ALA 16 Ca 0.62 0.65 0.14 0.00 0.00 0.00 0.00 51.96 53.37 3hqo s ALA 16 Cb -0.16 -3.44 0.69 0.00 0.00 0.00 0.00 23.12 20.21 3hqo s ALA 16 CO 0.44 -2.40 1.47 0.27 0.00 0.00 0.00 175.76 175.54 3hqo n ASN 17 N -3.71 0.65 -3.71 0.00 2.04 -1.26 -4.85 115.26 104.41 3hqo n ASN 17 Ca 0.12 -1.68 -0.14 0.00 -0.44 0.00 0.00 54.58 52.44 3hqo n ASN 17 Cb 0.52 -0.05 -0.08 0.00 -2.53 0.00 0.00 39.78 37.63 3hqo n ASN 17 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 3hqo s TYR 18 N -1.89 -0.31 0.01 -2.53 -0.85 -1.26 -5.04 117.35 105.47 3hqo s TYR 18 Ca 0.23 0.57 -0.14 0.00 -0.52 0.00 0.00 57.07 57.21 3hqo s TYR 18 Cb 0.11 0.16 -0.06 0.00 0.38 0.00 0.00 41.96 42.56 3hqo s TYR 18 CO 0.18 -0.40 0.41 0.50 -1.52 0.00 0.00 175.55 174.72 3hqo s ARG 19 N -1.01 3.89 -0.22 -3.49 3.52 -1.26 -5.00 118.95 115.37 3hqo s ARG 19 Ca -0.11 0.37 -0.12 0.00 -0.13 0.00 0.00 55.73 55.75 3hqo s ARG 19 Cb -0.04 -3.18 -0.09 0.00 -1.56 0.00 0.00 34.95 30.07 3hqo s ARG 19 CO 0.05 0.67 -0.30 0.00 -0.81 0.00 0.00 175.30 174.90 3hqo n ALA 20 N 1.67 1.45 -1.77 6.12 0.00 -1.26 -4.64 120.51 122.08 3hqo n ALA 20 Ca -0.13 -0.90 -0.41 0.00 0.00 0.00 0.00 53.44 52.00 3hqo n ALA 20 Cb 0.52 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.16 3hqo n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqo n ALA 21 N -4.08 2.29 -2.91 0.00 0.00 -1.26 -0.48 120.51 114.06 3hqo n ALA 21 Ca -0.42 0.32 -0.35 0.00 0.00 0.00 0.00 53.44 52.98 3hqo n ALA 21 Cb 0.78 -2.41 -0.11 0.00 0.00 0.00 0.00 19.45 17.70 3hqo n ALA 21 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hqo s ARG 22 N -2.20 3.81 0.15 0.00 1.81 -0.67 -4.91 118.95 116.94 3hqo s ARG 22 Ca 0.55 -0.42 -0.25 0.00 -1.72 0.00 0.00 55.73 53.90 3hqo s ARG 22 Cb -0.47 -3.26 -0.08 0.00 -0.45 0.00 0.00 34.95 30.70 3hqo s ARG 22 CO 0.62 0.05 0.75 0.42 -0.68 0.00 0.00 175.30 176.46 3hqo s ILE 23 N 0.98 4.42 -0.10 1.52 1.01 -1.26 -1.99 121.20 125.78 3hqo s ILE 23 Ca 0.04 1.64 0.02 0.00 0.00 0.00 0.00 60.65 62.35 3hqo s ILE 23 Cb -0.14 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.23 3hqo s ILE 23 CO 0.03 0.52 -0.16 -0.63 0.00 0.00 0.00 174.94 174.70 3hqo s ILE 24 N -1.11 1.54 0.13 2.92 1.01 -0.67 -0.89 121.20 124.14 3hqo s ILE 24 Ca 0.35 -0.68 0.07 0.00 0.00 0.00 0.00 60.65 60.39 3hqo s ILE 24 Cb -0.23 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3hqo s ILE 24 CO 0.25 0.45 -0.06 0.00 0.00 0.00 0.00 174.94 175.58 3hqo s THR 26 N -1.45 5.31 -0.12 0.00 2.01 -0.84 -0.04 115.64 120.51 3hqo s THR 26 Ca 0.24 0.23 -0.28 0.00 0.31 0.00 0.00 61.69 62.19 3hqo s THR 26 Cb -0.10 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 3hqo s THR 26 CO 0.16 0.27 0.95 -0.63 -0.69 0.00 0.00 174.62 174.68 3hqo s ILE 27 N 1.56 4.81 0.02 1.82 -1.09 -0.79 -2.59 121.20 124.94 3hqo s ILE 27 Ca 0.08 1.92 0.00 0.00 -2.23 0.00 0.00 60.65 60.43 3hqo s ILE 27 Cb -0.15 -4.26 -0.00 0.00 -1.58 0.00 0.00 42.46 36.47 3hqo s ILE 27 CO 0.09 0.01 0.02 0.61 -1.23 0.00 0.00 174.94 174.43 3hqo n GLY 28 N 3.19 3.81 0.54 6.18 0.00 -1.25 -4.77 105.19 112.89 3hqo n GLY 28 Ca 0.07 -1.62 0.37 0.00 0.00 0.00 0.00 46.02 44.85 3hqo n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hqo h PRO 29 N 0.00 0.08 0.00 1.61 0.13 -1.86 0.36 132.00 132.32 3hqo h PRO 29 Ca -0.01 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3hqo h PRO 29 Cb 0.06 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.17 3hqo h PRO 29 CO 0.02 0.05 0.00 0.77 -0.23 0.00 0.00 178.00 178.61 3hqo h SER 30 N 0.08 0.00 0.00 1.44 0.02 -1.66 -3.38 113.55 110.04 3hqo h SER 30 Ca 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.63 3hqo h SER 30 Cb 2.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.01 3hqo h SER 30 CO -0.12 0.00 -0.36 0.35 -1.14 0.00 0.00 176.83 175.56 3hqo n THR 31 N -2.51 0.00 0.04 -2.27 -2.24 0.12 -4.89 114.28 102.53 3hqo n THR 31 Ca 0.04 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.75 3hqo n THR 31 Cb 0.40 0.58 -0.12 0.00 -2.10 0.00 0.00 70.33 69.10 3hqo n THR 31 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3hqo h GLN 32 N 0.00 0.00 -7.08 -0.78 4.15 -1.44 -3.37 115.11 106.58 3hqo h GLN 32 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.87 3hqo h GLN 32 Cb 1.29 0.00 0.14 0.00 0.21 0.00 0.00 27.48 29.12 3hqo h GLN 32 CO 0.00 0.78 0.55 -1.54 -1.93 0.00 0.00 178.83 176.69 3hqo s SER 33 N -6.46 4.96 0.33 -0.69 1.04 -1.26 -4.83 113.70 106.79 3hqo s SER 33 Ca -0.01 2.64 0.02 0.00 0.48 0.00 0.00 55.95 59.08 3hqo s SER 33 Cb 0.09 -2.62 0.57 0.00 0.10 0.00 0.00 66.02 64.16 3hqo s SER 33 CO 0.82 -1.77 1.95 -0.37 0.98 0.00 0.00 173.24 174.84 3hqo h VAL 34 N 0.96 1.18 0.00 5.02 -1.51 -1.89 -0.35 116.25 119.66 3hqo h VAL 34 Ca -0.51 -0.49 -0.02 0.00 -1.23 0.00 0.00 66.70 64.45 3hqo h VAL 34 Cb 1.32 0.43 -0.00 0.00 -2.13 0.00 0.00 31.29 30.91 3hqo h VAL 34 CO 0.55 0.21 -0.11 -0.08 -1.23 0.00 0.00 177.57 176.90 3hqo h GLU 35 N 0.80 0.00 0.08 5.19 4.57 -1.96 -0.00 114.58 123.25 3hqo h GLU 35 Ca 0.20 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 58.03 3hqo h GLU 35 Cb 0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 3hqo h GLU 35 CO -0.03 0.11 -1.97 0.00 -1.18 0.00 0.00 179.01 175.94 3hqo n ALA 36 N -2.22 1.09 -0.16 2.92 0.00 -0.97 -3.77 120.51 117.41 3hqo n ALA 36 Ca -0.01 -0.69 -0.02 0.00 0.00 0.00 0.00 53.44 52.72 3hqo n ALA 36 Cb 0.28 -0.67 0.21 0.00 0.00 0.00 0.00 19.45 19.28 3hqo n ALA 36 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hqo h LEU 37 N 0.05 0.81 -0.39 0.00 3.38 -0.74 -0.88 115.31 117.54 3hqo h LEU 37 Ca -0.40 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.49 3hqo h LEU 37 Cb 2.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.54 3hqo h LEU 37 CO 0.07 0.71 0.22 0.11 0.09 0.00 0.00 178.44 179.64 3hqo h LYS 38 N 0.88 0.43 -0.52 1.13 1.57 -1.18 -2.23 116.57 116.65 3hqo h LYS 38 Ca 0.21 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.06 3hqo h LYS 38 Cb 0.13 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.27 3hqo h LYS 38 CO -0.02 0.28 0.07 0.78 -0.57 0.00 0.00 179.45 179.99 3hqo h GLY 39 N 0.44 0.61 1.29 3.86 0.00 -1.31 -1.83 103.07 106.13 3hqo h GLY 39 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 3hqo h GLY 39 CO -0.08 -0.10 0.06 1.41 0.00 0.00 0.00 176.54 177.82 3hqo h LEU 40 N 0.20 0.83 -0.16 3.11 4.07 -0.98 -0.58 115.31 121.80 3hqo h LEU 40 Ca 0.26 -0.19 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 3hqo h LEU 40 Cb 0.38 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 3hqo h LEU 40 CO -0.37 0.86 0.09 0.40 -1.08 0.00 0.00 178.44 178.33 3hqo h ILE 41 N 0.83 1.11 0.00 1.22 2.04 -0.78 0.20 117.51 122.12 3hqo h ILE 41 Ca 0.17 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 3hqo h ILE 41 Cb 0.41 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3hqo h ILE 41 CO 0.01 0.10 -0.37 1.56 0.00 0.00 0.00 178.15 179.46 3hqo h GLN 42 N 0.15 0.00 0.00 2.37 4.20 -1.27 -3.04 115.11 117.53 3hqo h GLN 42 Ca 0.06 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.63 3hqo h GLN 42 Cb 0.09 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3hqo h GLN 42 CO -0.01 0.37 -0.65 0.77 -0.67 0.00 0.00 178.83 178.64 3hqo h SER 43 N 0.00 0.00 0.00 1.46 0.02 -0.83 -3.47 113.55 110.72 3hqo h SER 43 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hqo h SER 43 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 3hqo h SER 43 CO 0.05 0.65 0.00 0.61 -1.14 0.00 0.00 176.83 176.99 3hqo n GLY 44 N 0.68 -0.97 3.73 -3.77 0.00 -0.61 -3.93 105.19 100.32 3hqo n GLY 44 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hqo n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hqo s MET 45 N 0.00 4.22 -0.20 1.61 -2.45 -0.04 -4.40 119.30 118.03 3hqo s MET 45 Ca 0.00 2.38 0.01 0.00 -1.25 0.00 0.00 55.69 56.83 3hqo s MET 45 Cb 0.00 -3.12 -0.13 0.00 1.25 0.00 0.00 34.83 32.83 3hqo s MET 45 CO 0.00 -0.55 -0.18 0.43 1.05 0.00 0.00 175.02 175.77 3hqo n SER 46 N 3.19 2.42 -4.19 1.11 7.64 -0.07 -4.60 113.62 119.12 3hqo n SER 46 Ca 0.11 -0.10 -0.25 0.00 1.01 0.00 0.00 58.87 59.64 3hqo n SER 46 Cb 0.39 -0.32 -0.15 0.00 -1.01 0.00 0.00 64.21 63.12 3hqo n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hqo s VAL 47 N -2.40 1.45 -0.22 0.44 1.01 -1.01 -3.02 120.40 116.65 3hqo s VAL 47 Ca -0.27 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 60.70 3hqo s VAL 47 Cb 0.07 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3hqo s VAL 47 CO 0.46 0.29 0.09 0.00 0.00 0.00 0.00 175.10 175.94 3hqo s ALA 48 N -0.59 3.34 -0.17 5.51 0.00 0.38 -1.27 121.76 128.97 3hqo s ALA 48 Ca 0.06 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 3hqo s ALA 48 Cb -0.08 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 3hqo s ALA 48 CO 0.00 -0.19 0.11 0.50 0.00 0.00 0.00 175.76 176.18 3hqo s ARG 49 N 1.07 3.89 -0.21 0.00 3.52 0.94 -0.23 118.95 127.93 3hqo s ARG 49 Ca 0.05 -0.24 -0.06 0.00 -0.13 0.00 0.00 55.73 55.35 3hqo s ARG 49 Cb -0.14 -3.28 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 3hqo s ARG 49 CO 0.04 0.43 0.02 -1.64 -0.81 0.00 0.00 175.30 173.34 3hqo s MET 50 N -0.05 3.65 -0.49 5.12 -1.94 0.32 -1.88 119.30 124.02 3hqo s MET 50 Ca 0.09 -0.50 -0.21 0.00 -1.71 0.00 0.00 55.69 53.36 3hqo s MET 50 Cb -0.12 -3.16 0.04 0.00 2.01 0.00 0.00 34.83 33.61 3hqo s MET 50 CO 0.00 -0.03 0.70 1.21 -0.01 0.00 0.00 175.02 176.89 3hqo s ASN 51 N 1.15 6.28 0.00 3.03 2.47 -1.26 -1.04 114.94 125.56 3hqo s ASN 51 Ca 0.03 -0.61 0.04 0.00 0.42 0.00 0.00 52.86 52.74 3hqo s ASN 51 Cb -0.14 -2.33 0.19 0.00 -1.45 0.00 0.00 41.25 37.51 3hqo s ASN 51 CO 0.02 -0.93 1.13 0.49 -3.72 0.00 0.00 177.10 174.09 3hqo n PHE 52 N 6.48 0.09 1.14 0.43 3.01 -0.72 -2.44 117.46 125.45 3hqo n PHE 52 Ca -0.03 -0.04 0.14 0.00 1.01 0.00 0.00 57.45 58.53 3hqo n PHE 52 Cb 0.47 0.00 0.66 0.00 -0.01 0.00 0.00 39.48 40.60 3hqo n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3hqo n SER 53 N -0.33 0.00 -3.95 4.37 7.64 -1.26 -4.65 113.62 115.44 3hqo n SER 53 Ca 0.04 0.27 -0.10 0.00 1.01 0.00 0.00 58.87 60.09 3hqo n SER 53 Cb 0.07 -0.42 -0.11 0.00 -1.01 0.00 0.00 64.21 62.73 3hqo n SER 53 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3hqo s HIS 54 N -2.85 0.20 0.03 1.43 3.76 -1.02 -5.10 115.29 111.74 3hqo s HIS 54 Ca 0.19 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 3hqo s HIS 54 Cb 0.19 -0.15 0.00 0.00 1.11 0.00 0.00 32.58 33.73 3hqo s HIS 54 CO 0.50 -0.18 0.00 0.41 -0.85 0.00 0.00 174.74 174.62 3hqo n GLY 55 N 1.78 -2.69 3.94 -2.22 0.00 -1.26 -4.85 105.19 99.90 3hqo n GLY 55 Ca -0.22 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.14 3hqo n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hqo s SER 56 N -4.05 5.00 0.59 1.61 1.04 -1.26 -4.91 113.70 111.72 3hqo s SER 56 Ca 0.00 0.35 0.31 0.00 0.48 0.00 0.00 55.95 57.09 3hqo s SER 56 Cb 0.00 -1.09 1.82 0.00 0.10 0.00 0.00 66.02 66.85 3hqo s SER 56 CO 0.00 -1.43 2.23 0.45 0.98 0.00 0.00 173.24 175.47 3hqo h HIS 57 N -0.38 0.00 -0.14 5.02 -0.00 -1.99 -0.55 115.15 117.11 3hqo h HIS 57 Ca -0.44 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 59.78 3hqo h HIS 57 Cb 1.31 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.71 3hqo h HIS 57 CO 0.35 0.02 -0.55 1.49 -0.00 0.00 0.00 177.93 179.25 3hqo h GLU 58 N 0.00 0.41 0.07 2.45 4.81 -2.00 -2.76 114.58 117.56 3hqo h GLU 58 Ca -0.00 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3hqo h GLU 58 Cb 0.07 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3hqo h GLU 58 CO 0.00 0.85 -0.03 -0.92 -0.73 0.00 0.00 179.01 178.18 3hqo h TYR 59 N 0.32 -0.09 0.00 0.92 3.20 -1.49 -3.25 116.97 116.58 3hqo h TYR 59 Ca 0.01 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3hqo h TYR 59 Cb 1.06 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.35 3hqo h TYR 59 CO 0.03 0.47 -0.11 0.45 -1.64 0.00 0.00 178.16 177.36 3hqo h HIS 60 N -0.75 0.00 -0.10 -3.82 3.86 -1.45 -1.94 115.15 110.95 3hqo h HIS 60 Ca -0.01 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3hqo h HIS 60 Cb 0.60 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 3hqo h HIS 60 CO 0.13 0.11 0.04 0.37 0.86 0.00 0.00 177.93 179.44 3hqo h GLN 61 N 0.00 0.10 -0.74 2.45 5.75 -1.54 -0.69 115.11 120.43 3hqo h GLN 61 Ca -0.00 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3hqo h GLN 61 Cb 0.30 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.79 3hqo h GLN 61 CO 0.01 0.06 0.49 1.15 -2.65 0.00 0.00 178.83 177.90 3hqo h THR 62 N 0.10 1.18 -0.09 2.39 2.02 -1.39 0.94 112.91 118.06 3hqo h THR 62 Ca 0.04 -0.34 0.04 0.00 0.77 0.00 0.00 66.41 66.92 3hqo h THR 62 Cb 0.01 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 66.46 3hqo h THR 62 CO -0.04 0.18 -0.28 0.74 0.37 0.00 0.00 175.52 176.49 3hqo h THR 63 N 0.99 0.36 -0.22 3.16 2.02 -1.23 0.36 112.91 118.35 3hqo h THR 63 Ca 0.28 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.49 3hqo h THR 63 Cb -0.09 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 3hqo h THR 63 CO -0.07 0.00 0.03 0.40 0.37 0.00 0.00 175.52 176.25 3hqo h ILE 64 N -0.38 0.88 0.00 3.11 2.04 -0.55 0.12 117.51 122.74 3hqo h ILE 64 Ca 0.09 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 3hqo h ILE 64 Cb 0.51 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3hqo h ILE 64 CO -0.30 0.02 -0.16 0.78 0.00 0.00 0.00 178.15 178.49 3hqo h ASN 65 N 0.11 0.00 0.22 1.72 2.35 -0.44 -2.27 115.58 117.27 3hqo h ASN 65 Ca 0.10 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.51 3hqo h ASN 65 Cb 0.11 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 3hqo h ASN 65 CO -0.14 0.16 -2.03 0.59 -1.65 0.00 0.00 177.43 174.35 3hqo n ASN 66 N -3.78 1.30 -0.04 5.81 3.02 0.08 -2.86 115.26 118.79 3hqo n ASN 66 Ca -0.02 0.20 -0.08 0.00 -0.03 0.00 0.00 54.58 54.64 3hqo n ASN 66 Cb 0.26 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 3hqo n ASN 66 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3hqo h VAL 67 N 0.02 0.87 -0.78 2.41 2.07 -0.70 -0.63 116.25 119.52 3hqo h VAL 67 Ca -0.42 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3hqo h VAL 67 Cb 2.04 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 3hqo h VAL 67 CO 0.05 0.02 0.29 0.03 0.02 0.00 0.00 177.57 177.98 3hqo h ARG 68 N 0.09 1.17 -0.30 1.57 3.08 -1.56 -1.88 114.38 116.55 3hqo h ARG 68 Ca 0.10 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3hqo h ARG 68 Cb 0.11 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3hqo h ARG 68 CO -0.15 0.96 0.05 0.37 -1.07 0.00 0.00 179.97 180.13 3hqo h GLN 69 N 1.14 0.49 -0.05 0.04 4.15 -1.37 -2.23 115.11 117.28 3hqo h GLN 69 Ca 0.26 -0.13 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 3hqo h GLN 69 Cb 0.24 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3hqo h GLN 69 CO -0.02 0.59 -0.28 0.00 -1.93 0.00 0.00 178.83 177.20 3hqo h ALA 70 N 0.88 1.44 -0.05 3.38 0.00 -0.98 -2.29 119.26 121.64 3hqo h ALA 70 Ca 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3hqo h ALA 70 Cb 0.34 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hqo h ALA 70 CO 0.01 0.40 -0.02 0.00 0.00 0.00 0.00 179.25 179.64 3hqo h ALA 71 N 1.64 0.06 -0.50 0.00 0.00 -1.22 -2.94 119.26 116.30 3hqo h ALA 71 Ca 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3hqo h ALA 71 Cb 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hqo h ALA 71 CO 0.04 -0.21 0.18 0.00 0.00 0.00 0.00 179.25 179.26 3hqo h ALA 72 N 0.63 1.39 0.00 0.00 0.00 -1.25 0.18 119.26 120.21 3hqo h ALA 72 Ca 0.01 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3hqo h ALA 72 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3hqo h ALA 72 CO 0.01 0.46 -0.34 0.93 0.00 0.00 0.00 179.25 180.30 3hqo h GLU 73 N 0.71 0.00 0.00 0.00 5.08 -1.45 -3.06 114.58 115.86 3hqo h GLU 73 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3hqo h GLU 73 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3hqo h GLU 73 CO -0.01 0.34 -1.21 1.28 -1.00 0.00 0.00 179.01 178.41 3hqo n LEU 74 N -3.58 0.74 -0.13 1.33 4.77 -0.91 -5.01 117.00 114.21 3hqo n LEU 74 Ca -0.01 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3hqo n LEU 74 Cb 0.47 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3hqo n LEU 74 CO 0.36 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3hqo n GLY 75 N 1.44 0.53 3.32 -0.72 0.00 0.58 -5.07 105.19 105.27 3hqo n GLY 75 Ca 0.02 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 3hqo n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqo s VAL 76 N -2.25 1.65 -0.34 1.61 -7.23 -0.90 -5.03 120.40 107.91 3hqo s VAL 76 Ca 0.00 -2.07 -0.19 0.00 -1.81 0.00 0.00 61.98 57.91 3hqo s VAL 76 Cb 0.00 -1.92 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 3hqo s VAL 76 CO 0.00 -0.53 0.54 0.20 -0.31 0.00 0.00 175.10 175.00 3hqo s ASN 77 N -3.05 6.36 -0.14 4.85 0.01 -1.26 -4.40 114.94 117.30 3hqo s ASN 77 Ca 0.19 0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.43 3hqo s ASN 77 Cb -0.02 -2.28 -0.01 0.00 0.41 0.00 0.00 41.25 39.35 3hqo s ASN 77 CO 0.06 -0.48 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.39 3hqo s ILE 78 N 2.45 2.76 0.44 0.60 -1.09 -1.26 -4.77 121.20 120.34 3hqo s ILE 78 Ca 0.20 -0.75 -0.18 0.00 -2.23 0.00 0.00 60.65 57.70 3hqo s ILE 78 Cb -0.15 -2.16 -0.09 0.00 -1.58 0.00 0.00 42.46 38.48 3hqo s ILE 78 CO 0.13 0.52 0.92 0.00 -1.23 0.00 0.00 174.94 175.28 3hqo s ALA 79 N 0.63 3.11 -0.10 9.38 0.00 -1.17 -4.92 121.76 128.70 3hqo s ALA 79 Ca -0.08 0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.15 3hqo s ALA 79 Cb -0.16 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3hqo s ALA 79 CO 0.03 0.02 -0.24 0.42 0.00 0.00 0.00 175.76 175.99 3hqo s ILE 80 N -2.32 2.04 -0.03 0.00 1.01 -1.26 -0.47 121.20 120.17 3hqo s ILE 80 Ca 0.59 -1.01 0.07 0.00 0.00 0.00 0.00 60.65 60.30 3hqo s ILE 80 Cb -0.10 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 3hqo s ILE 80 CO 0.21 0.56 -0.24 0.00 0.00 0.00 0.00 174.94 175.47 3hqo s ALA 81 N 0.34 2.00 -0.15 9.38 0.00 0.68 -1.62 121.76 132.39 3hqo s ALA 81 Ca -0.19 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 3hqo s ALA 81 Cb -0.18 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 3hqo s ALA 81 CO 0.09 0.44 0.25 -1.17 0.00 0.00 0.00 175.76 175.37 3hqo s LEU 82 N -0.36 4.27 -0.32 0.00 0.20 -0.46 -0.52 118.68 121.48 3hqo s LEU 82 Ca 0.03 0.47 -0.03 0.00 0.69 0.00 0.00 54.13 55.29 3hqo s LEU 82 Cb -0.11 -2.29 0.05 0.00 -0.43 0.00 0.00 46.19 43.41 3hqo s LEU 82 CO 0.01 0.17 0.05 -0.62 -0.29 0.00 0.00 176.35 175.67 3hqo s ASP 83 N 0.18 5.05 0.86 3.68 -1.08 -0.21 0.71 116.67 125.85 3hqo s ASP 83 Ca 0.15 -1.32 -0.10 0.00 -0.52 0.00 0.00 52.55 50.76 3hqo s ASP 83 Cb -0.13 -1.77 0.11 0.00 -1.46 0.00 0.00 42.92 39.68 3hqo s ASP 83 CO 0.03 -0.31 1.13 0.42 0.52 0.00 0.00 175.17 176.96 3hqo s THR 84 N 1.28 2.53 -0.05 1.71 -4.23 -0.94 -1.75 115.64 114.20 3hqo s THR 84 Ca -0.03 0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.65 3hqo s THR 84 Cb -0.20 -2.37 -0.00 0.00 1.34 0.00 0.00 72.50 71.26 3hqo s THR 84 CO -0.00 -0.22 0.04 0.50 -0.54 0.00 0.00 174.62 174.39 3hqo h LYS 85 N -1.57 -0.02 0.00 3.99 3.64 -1.92 -3.40 116.57 117.29 3hqo h LYS 85 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3hqo h LYS 85 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3hqo h LYS 85 CO 0.45 -0.01 0.00 0.41 -2.27 0.00 0.00 179.45 178.03 3hqo n GLY 86 N 1.80 -1.39 2.46 5.01 0.00 -1.26 -4.16 105.19 107.65 3hqo n GLY 86 Ca -0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 46.02 44.71 3hqo n GLY 86 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hqo n PRO 87 N -0.01 0.28 -3.27 1.61 -0.02 -1.26 -4.82 135.00 127.51 3hqo n PRO 87 Ca 0.00 -0.17 -0.44 0.00 -2.02 0.00 0.00 63.50 60.87 3hqo n PRO 87 Cb 0.00 -1.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.80 3hqo n PRO 87 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3hqo s GLU 88 N 2.86 3.08 0.12 -0.52 2.12 -1.26 -5.05 118.70 120.04 3hqo s GLU 88 Ca 0.09 -0.95 -0.24 0.00 0.36 0.00 0.00 54.97 54.22 3hqo s GLU 88 Cb 0.04 -4.06 -0.07 0.00 0.26 0.00 0.00 34.13 30.30 3hqo s GLU 88 CO -0.00 -1.05 0.75 0.42 -0.54 0.00 0.00 175.26 174.84 3hqo s ILE 89 N 2.23 4.53 0.08 -3.70 1.01 -1.26 -5.01 121.20 119.07 3hqo s ILE 89 Ca 0.12 1.62 0.05 0.00 0.00 0.00 0.00 60.65 62.43 3hqo s ILE 89 Cb -0.20 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 3hqo s ILE 89 CO 0.11 0.48 -0.13 -0.13 0.00 0.00 0.00 174.94 175.27 3hqo s ARG 90 N -0.79 0.82 0.70 2.79 1.81 -1.26 -0.69 118.95 122.34 3hqo s ARG 90 Ca 0.36 -1.01 -0.06 0.00 -1.72 0.00 0.00 55.73 53.30 3hqo s ARG 90 Cb -0.22 -0.74 0.07 0.00 -0.45 0.00 0.00 34.95 33.62 3hqo s ARG 90 CO 0.24 0.15 1.00 0.95 -0.68 0.00 0.00 175.30 176.96 3hqo s THR 91 N -1.60 2.30 0.00 0.02 -4.23 -0.58 -1.78 115.64 109.78 3hqo s THR 91 Ca -0.00 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 3hqo s THR 91 Cb -0.08 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.79 3hqo s THR 91 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3hqo n GLY 92 N -2.88 -0.67 3.92 3.99 0.00 0.18 -3.63 105.19 106.11 3hqo n GLY 92 Ca 0.09 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 3hqo n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hqo s GLN 93 N -0.25 3.53 -0.07 1.61 -0.21 -0.54 -1.61 119.66 122.12 3hqo s GLN 93 Ca 0.00 -0.30 0.01 0.00 0.02 0.00 0.00 55.36 55.10 3hqo s GLN 93 Cb 0.00 -2.86 -0.03 0.00 1.00 0.00 0.00 33.01 31.12 3hqo s GLN 93 CO 0.00 0.44 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.47 3hqo s PHE 94 N -1.78 2.89 -0.03 0.91 0.08 -1.26 -1.34 117.98 117.45 3hqo s PHE 94 Ca 0.39 -0.04 -0.30 0.00 0.12 0.00 0.00 56.93 57.09 3hqo s PHE 94 Cb -0.11 -1.71 -0.08 0.00 -0.57 0.00 0.00 43.02 40.54 3hqo s PHE 94 CO 0.28 0.27 2.03 1.55 -0.10 0.00 0.00 175.22 179.25 3hqo n VAL 95 N 2.33 0.67 0.00 -0.44 3.14 -0.71 -0.63 118.33 122.69 3hqo n VAL 95 Ca -0.18 -0.21 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 3hqo n VAL 95 Cb 0.53 -2.35 0.00 0.00 -1.06 0.00 0.00 33.84 30.95 3hqo n VAL 95 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hqo n GLY 96 N 4.83 2.32 0.45 7.55 0.00 -1.26 -4.38 105.19 114.69 3hqo n GLY 96 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3hqo n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqo n GLY 97 N -2.00 0.81 3.70 -0.02 0.00 0.20 -5.06 105.19 102.83 3hqo n GLY 97 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3hqo n GLY 97 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hqo s ASP 98 N -2.29 -0.33 -0.12 1.61 -4.77 -1.26 -4.21 116.67 105.32 3hqo s ASP 98 Ca 0.00 -0.37 -0.05 0.00 -3.30 0.00 0.00 52.55 48.83 3hqo s ASP 98 Cb 0.00 0.62 0.06 0.00 -1.09 0.00 0.00 42.92 42.51 3hqo s ASP 98 CO 0.00 -1.11 0.25 0.00 0.70 0.00 0.00 175.17 175.01 3hqo s ALA 99 N -3.69 -0.52 -0.80 2.11 0.00 -0.85 -4.62 121.76 113.39 3hqo s ALA 99 Ca 0.08 0.92 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 3hqo s ALA 99 Cb -0.03 -0.85 0.12 0.00 0.00 0.00 0.00 23.12 22.36 3hqo s ALA 99 CO -0.00 -0.46 0.98 0.08 0.00 0.00 0.00 175.76 176.36 3hqo s VAL 100 N 1.96 4.74 0.37 0.00 1.01 -1.26 -2.13 120.40 125.09 3hqo s VAL 100 Ca -0.03 -1.31 -0.25 0.00 0.00 0.00 0.00 61.98 60.40 3hqo s VAL 100 Cb -0.11 -4.68 -0.09 0.00 0.00 0.00 0.00 36.38 31.49 3hqo s VAL 100 CO -0.08 -1.39 1.03 -0.04 0.00 0.00 0.00 175.10 174.63 3hqo s MET 101 N 2.73 4.30 0.02 2.72 -1.94 0.20 -4.91 119.30 122.42 3hqo s MET 101 Ca 0.25 1.51 0.08 0.00 -1.71 0.00 0.00 55.69 55.82 3hqo s MET 101 Cb -0.11 -2.66 -0.02 0.00 2.01 0.00 0.00 34.83 34.04 3hqo s MET 101 CO -0.03 -0.02 -0.24 -1.21 -0.01 0.00 0.00 175.02 173.51 3hqo s GLU 102 N -2.30 1.79 -0.52 2.03 2.02 -1.26 -0.85 118.70 119.61 3hqo s GLU 102 Ca 0.55 -0.98 -0.26 0.00 0.02 0.00 0.00 54.97 54.30 3hqo s GLU 102 Cb -0.22 -1.86 -0.05 0.00 0.10 0.00 0.00 34.13 32.09 3hqo s GLU 102 CO 0.28 0.49 2.22 0.50 0.02 0.00 0.00 175.26 178.77 3hqo s ARG 103 N -0.95 2.32 0.00 1.61 3.52 -1.26 -1.86 118.95 122.32 3hqo s ARG 103 Ca 0.10 1.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.87 3hqo s ARG 103 Cb -0.09 -4.51 0.00 0.00 -1.56 0.00 0.00 34.95 28.79 3hqo s ARG 103 CO 0.01 -3.05 0.00 0.41 -0.81 0.00 0.00 175.30 171.86 3hqo n GLY 104 N 5.89 0.99 3.77 8.12 0.00 -0.02 -4.91 105.19 119.03 3hqo n GLY 104 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 3hqo n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqo s ALA 105 N -2.00 2.12 -0.58 4.61 0.00 -0.78 -4.79 121.76 120.35 3hqo s ALA 105 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.06 3hqo s ALA 105 Cb 0.00 -3.20 0.16 0.00 0.00 0.00 0.00 23.12 20.08 3hqo s ALA 105 CO 0.00 -1.84 0.41 0.99 0.00 0.00 0.00 175.76 175.32 3hqo s THR 106 N -2.98 1.93 0.85 0.00 2.01 -1.26 -0.86 115.64 115.32 3hqo s THR 106 Ca 0.61 -3.55 -0.12 0.00 0.31 0.00 0.00 61.69 58.95 3hqo s THR 106 Cb -0.16 -2.29 0.10 0.00 0.01 0.00 0.00 72.50 70.16 3hqo s THR 106 CO 0.56 -1.06 1.15 0.00 -0.69 0.00 0.00 174.62 174.59 3hqo s TYR 108 N -3.42 2.12 0.31 0.00 2.02 0.58 -1.77 117.35 117.19 3hqo s TYR 108 Ca 0.62 -1.91 -0.25 0.00 -0.37 0.00 0.00 57.07 55.16 3hqo s TYR 108 Cb -0.13 -1.88 -0.10 0.00 -0.40 0.00 0.00 41.96 39.46 3hqo s TYR 108 CO 0.51 -0.86 0.92 0.14 -1.57 0.00 0.00 175.55 174.69 3hqo s VAL 109 N 1.48 4.25 0.05 0.71 -7.23 -1.08 -1.85 120.40 116.73 3hqo s VAL 109 Ca 0.08 1.76 -0.03 0.00 -1.81 0.00 0.00 61.98 61.98 3hqo s VAL 109 Cb -0.18 -3.99 -0.03 0.00 0.56 0.00 0.00 36.38 32.74 3hqo s VAL 109 CO -0.19 0.15 0.02 0.28 -0.31 0.00 0.00 175.10 175.06 3hqo s THR 110 N -1.60 0.19 -0.19 5.32 -1.32 -0.11 -1.22 115.64 116.71 3hqo s THR 110 Ca 0.49 -1.54 0.22 0.00 -1.21 0.00 0.00 61.69 59.66 3hqo s THR 110 Cb -0.18 -1.31 -0.16 0.00 -1.51 0.00 0.00 72.50 69.34 3hqo s THR 110 CO 0.23 -0.85 0.80 0.35 -2.21 0.00 0.00 174.62 172.94 3hqo n THR 111 N 0.28 0.31 -1.60 5.08 -2.24 -0.64 -0.35 114.28 115.13 3hqo n THR 111 Ca -0.16 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.71 3hqo n THR 111 Cb 0.60 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 3hqo n THR 111 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hqo s ASP 112 N -4.85 5.31 0.00 3.42 3.68 -1.26 -4.82 116.67 118.14 3hqo s ASP 112 Ca -0.03 1.79 0.06 0.00 2.13 0.00 0.00 52.55 56.50 3hqo s ASP 112 Cb 0.12 -2.51 0.38 0.00 -1.45 0.00 0.00 42.92 39.46 3hqo s ASP 112 CO 0.84 -2.09 0.79 -2.65 0.13 0.00 0.00 175.17 172.20 3hqo n PRO 113 N 8.81 0.40 -0.03 4.34 -0.02 -1.26 -2.61 135.00 144.62 3hqo n PRO 113 Ca 0.31 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.63 3hqo n PRO 113 Cb 0.46 -1.25 -0.09 0.00 -0.02 0.00 0.00 33.50 32.60 3hqo n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqo h ALA 114 N 2.29 0.16 0.00 3.55 0.00 -2.01 -3.22 119.26 120.04 3hqo h ALA 114 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hqo h ALA 114 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hqo h ALA 114 CO 0.00 0.27 0.00 1.19 0.00 0.00 0.00 179.25 180.71 3hqo n PHE 115 N -4.34 0.00 -0.25 0.00 3.01 -1.07 -4.25 117.46 110.55 3hqo n PHE 115 Ca -0.08 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.26 3hqo n PHE 115 Cb 0.54 -0.35 -0.10 0.00 -0.01 0.00 0.00 39.48 39.57 3hqo n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hqo h ALA 116 N 2.71 -0.67 0.00 4.37 0.00 -1.72 0.03 119.26 123.98 3hqo h ALA 116 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hqo h ALA 116 Cb 0.19 1.22 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3hqo h ALA 116 CO 0.00 -0.99 0.00 -0.25 0.00 0.00 0.00 179.25 178.01 3hqo n ASP 117 N -5.23 0.28 -2.61 0.00 9.92 -1.26 -1.47 116.55 116.17 3hqo n ASP 117 Ca -0.01 0.54 -0.26 0.00 -0.53 0.00 0.00 54.79 54.53 3hqo n ASP 117 Cb 0.30 -0.61 -0.01 0.00 -0.64 0.00 0.00 41.12 40.16 3hqo n ASP 117 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3hqo n LYS 118 N -1.77 3.21 -2.43 -1.24 2.85 -0.03 -4.42 118.16 114.34 3hqo n LYS 118 Ca 0.06 -4.50 -0.40 0.00 -1.05 0.00 0.00 58.31 52.41 3hqo n LYS 118 Cb 0.33 -2.18 -0.04 0.00 -0.65 0.00 0.00 35.03 32.49 3hqo n LYS 118 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3hqo s GLY 119 N -3.48 3.03 0.31 2.58 0.00 -0.45 -4.81 107.32 104.50 3hqo s GLY 119 Ca 0.47 0.94 0.09 0.00 0.00 0.00 0.00 44.72 46.22 3hqo s GLY 119 CO -0.16 1.58 -0.10 -0.51 0.00 0.00 0.00 173.10 173.90 3hqo s THR 120 N -1.06 2.08 -1.94 0.90 -4.23 0.17 -1.74 115.64 109.81 3hqo s THR 120 Ca 0.46 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 3hqo s THR 120 Cb -0.33 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.01 3hqo s THR 120 CO 0.42 -0.28 0.42 2.29 -0.54 0.00 0.00 174.62 176.93 3hqo n LYS 121 N -0.68 0.00 0.00 3.99 2.85 -1.26 -1.41 118.16 121.64 3hqo n LYS 121 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 3hqo n LYS 121 Cb 0.63 -1.43 0.00 0.00 -0.65 0.00 0.00 35.03 33.57 3hqo n LYS 121 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3hqo n ASP 122 N -0.92 3.08 -3.53 -5.58 8.00 -1.26 -4.70 116.55 111.65 3hqo n ASP 122 Ca 0.00 -0.11 -0.01 0.00 0.71 0.00 0.00 54.79 55.39 3hqo n ASP 122 Cb 0.00 0.83 -0.05 0.00 -0.02 0.00 0.00 41.12 41.89 3hqo n ASP 122 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3hqo s LYS 123 N -1.45 0.41 0.18 -1.24 2.20 -0.50 -0.31 119.74 119.03 3hqo s LYS 123 Ca 0.00 0.92 -0.02 0.00 -0.36 0.00 0.00 55.97 56.51 3hqo s LYS 123 Cb 0.00 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 3hqo s LYS 123 CO 0.00 -0.12 0.14 -0.59 -0.36 0.00 0.00 175.35 174.41 3hqo s PHE 124 N 2.26 0.99 -0.16 4.03 -0.71 -0.77 0.43 117.98 124.04 3hqo s PHE 124 Ca -0.05 -1.27 -0.08 0.00 -1.04 0.00 0.00 56.93 54.49 3hqo s PHE 124 Cb -0.07 -0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 3hqo s PHE 124 CO -0.18 -0.63 0.12 -0.47 -1.34 0.00 0.00 175.22 172.72 3hqo s TYR 125 N -4.11 3.45 -0.15 3.49 5.04 -1.26 -0.94 117.35 122.87 3hqo s TYR 125 Ca 0.33 0.37 0.01 0.00 -2.44 0.00 0.00 57.07 55.34 3hqo s TYR 125 Cb 0.06 -2.03 0.01 0.00 0.35 0.00 0.00 41.96 40.35 3hqo s TYR 125 CO 0.08 0.47 -0.19 0.42 -1.34 0.00 0.00 175.55 174.99 3hqo s ILE 126 N -0.29 2.31 -1.22 3.14 1.01 0.53 0.49 121.20 127.17 3hqo s ILE 126 Ca 0.11 -0.89 0.18 0.00 0.00 0.00 0.00 60.65 60.05 3hqo s ILE 126 Cb -0.12 -1.95 0.23 0.00 0.01 0.00 0.00 42.46 40.63 3hqo s ILE 126 CO 0.01 0.53 1.56 -0.90 0.00 0.00 0.00 174.94 176.14 3hqo n ASP 127 N 4.17 0.00 -4.57 3.58 5.75 -0.73 -4.37 116.55 120.38 3hqo n ASP 127 Ca -0.20 0.26 -0.35 0.00 -0.01 0.00 0.00 54.79 54.49 3hqo n ASP 127 Cb 0.51 -0.39 -0.04 0.00 -1.03 0.00 0.00 41.12 40.18 3hqo n ASP 127 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3hqo s TYR 128 N -2.78 2.26 0.36 2.11 5.04 -1.26 -4.84 117.35 118.25 3hqo s TYR 128 Ca 0.13 -0.33 0.14 0.00 -2.44 0.00 0.00 57.07 54.57 3hqo s TYR 128 Cb 0.12 -4.40 0.97 0.00 0.35 0.00 0.00 41.96 39.00 3hqo s TYR 128 CO 0.30 -1.74 1.78 1.96 -1.34 0.00 0.00 175.55 176.51 3hqo h GLN 129 N 9.83 0.51 -1.13 4.97 1.08 -1.91 -1.10 115.11 127.36 3hqo h GLN 129 Ca 0.22 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.29 3hqo h GLN 129 Cb 0.97 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 28.23 3hqo h GLN 129 CO 1.34 0.33 0.12 -1.71 -0.95 0.00 0.00 178.83 177.96 3hqo n ASN 130 N -4.69 3.54 0.01 1.46 4.05 -1.26 -4.56 115.26 113.81 3hqo n ASN 130 Ca 0.24 -2.34 -0.12 0.00 0.45 0.00 0.00 54.58 52.81 3hqo n ASN 130 Cb 0.76 -0.64 -0.07 0.00 1.23 0.00 0.00 39.78 41.05 3hqo n ASN 130 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 3hqo h LEU 131 N 1.28 0.07 -1.55 1.20 5.85 -1.57 -3.19 115.31 117.39 3hqo h LEU 131 Ca 0.11 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3hqo h LEU 131 Cb 1.28 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 3hqo h LEU 131 CO 0.21 0.18 -0.08 0.28 -0.34 0.00 0.00 178.44 178.69 3hqo h SER 132 N -0.06 0.00 1.25 1.25 0.02 -1.85 -2.24 113.55 111.92 3hqo h SER 132 Ca 0.02 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 3hqo h SER 132 Cb 0.14 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3hqo h SER 132 CO -0.00 0.08 -0.79 0.11 -1.14 0.00 0.00 176.83 175.09 3hqo h LYS 133 N 0.00 0.00 0.00 3.45 1.57 -1.91 -3.40 116.57 116.29 3hqo h LYS 133 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hqo h LYS 133 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3hqo h LYS 133 CO 0.01 0.43 -0.24 0.28 -0.57 0.00 0.00 179.45 179.36 3hqo h VAL 134 N 0.00 0.00 -4.26 0.50 2.07 -1.45 -3.48 116.25 109.64 3hqo h VAL 134 Ca -0.05 -0.85 -0.52 0.00 0.82 0.00 0.00 66.70 66.10 3hqo h VAL 134 Cb 1.44 0.00 0.15 0.00 -1.52 0.00 0.00 31.29 31.36 3hqo h VAL 134 CO 0.06 0.00 0.31 0.68 0.02 0.00 0.00 177.57 178.64 3hqo s VAL 135 N -1.80 2.77 0.15 2.57 -7.23 -0.88 -5.05 120.40 110.93 3hqo s VAL 135 Ca -0.07 0.29 -0.02 0.00 -1.81 0.00 0.00 61.98 60.37 3hqo s VAL 135 Cb 0.01 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 3hqo s VAL 135 CO 0.10 -0.29 0.10 -0.13 -0.31 0.00 0.00 175.10 174.57 3hqo s ARG 136 N -4.54 1.02 -0.47 4.82 0.52 -1.26 -4.88 118.95 114.16 3hqo s ARG 136 Ca 0.66 -1.46 -0.28 0.00 -0.52 0.00 0.00 55.73 54.13 3hqo s ARG 136 Cb -0.21 0.27 -0.09 0.00 0.52 0.00 0.00 34.95 35.43 3hqo s ARG 136 CO 0.53 -0.31 2.38 -2.30 0.02 0.00 0.00 175.30 175.61 3hqo n PRO 137 N -0.15 1.11 0.00 3.54 -0.02 -1.26 -2.51 135.00 135.71 3hqo n PRO 137 Ca -0.04 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3hqo n PRO 137 Cb 0.64 -3.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 3hqo n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqo n GLY 138 N 6.10 0.89 3.90 -1.23 0.00 -0.52 -5.04 105.19 109.30 3hqo n GLY 138 Ca 0.40 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.14 3hqo n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hqo s ASN 139 N -0.77 6.34 -0.16 1.61 0.02 -1.05 -4.80 114.94 116.14 3hqo s ASN 139 Ca 0.00 0.90 -0.06 0.00 -1.02 0.00 0.00 52.86 52.68 3hqo s ASN 139 Cb 0.00 -2.23 -0.04 0.00 0.02 0.00 0.00 41.25 39.00 3hqo s ASN 139 CO 0.00 -0.47 0.05 -0.31 0.02 0.00 0.00 177.10 176.38 3hqo s TYR 140 N -2.56 3.23 -0.23 2.20 2.02 -1.26 -1.31 117.35 119.45 3hqo s TYR 140 Ca 0.47 0.07 -0.07 0.00 -0.37 0.00 0.00 57.07 57.17 3hqo s TYR 140 Cb -0.10 -2.01 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 3hqo s TYR 140 CO 0.40 0.21 0.06 0.42 -1.57 0.00 0.00 175.55 175.07 3hqo s ILE 141 N 0.10 4.34 -0.15 2.71 1.01 -0.91 -4.63 121.20 123.67 3hqo s ILE 141 Ca 0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 3hqo s ILE 141 Cb -0.12 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 3hqo s ILE 141 CO 0.01 0.36 0.15 -0.31 0.00 0.00 0.00 174.94 175.15 3hqo s TYR 142 N 1.37 3.52 -0.03 3.97 1.51 -0.30 -1.90 117.35 125.49 3hqo s TYR 142 Ca 0.05 0.46 0.03 0.00 -1.01 0.00 0.00 57.07 56.61 3hqo s TYR 142 Cb -0.15 -2.06 -0.00 0.00 -0.11 0.00 0.00 41.96 39.65 3hqo s TYR 142 CO 0.03 0.53 -0.12 0.42 -1.11 0.00 0.00 175.55 175.30 3hqo s ILE 143 N -0.40 1.01 -0.33 2.71 -1.09 -0.26 -0.78 121.20 122.07 3hqo s ILE 143 Ca 0.12 -0.50 -0.01 0.00 -2.23 0.00 0.00 60.65 58.03 3hqo s ILE 143 Cb -0.12 -0.88 -0.02 0.00 -1.58 0.00 0.00 42.46 39.86 3hqo s ILE 143 CO 0.02 0.30 0.28 -0.67 -1.23 0.00 0.00 174.94 173.64 3hqo n ASP 144 N 3.18 -3.07 -3.66 3.58 -0.08 -0.56 -1.12 116.55 114.81 3hqo n ASP 144 Ca -0.18 -0.21 -0.25 0.00 -1.51 0.00 0.00 54.79 52.65 3hqo n ASP 144 Cb 0.54 -1.91 0.07 0.00 2.34 0.00 0.00 41.12 42.16 3hqo n ASP 144 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3hqo n ASP 145 N -1.93 -5.98 -1.36 1.67 9.92 -1.26 -3.12 116.55 114.50 3hqo n ASP 145 Ca -0.04 -0.59 -0.11 0.00 -0.53 0.00 0.00 54.79 53.52 3hqo n ASP 145 Cb 0.54 -4.79 0.00 0.00 -0.64 0.00 0.00 41.12 36.23 3hqo n ASP 145 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hqo n GLY 146 N -1.93 -0.05 0.12 0.44 0.00 -1.22 -4.92 105.19 97.62 3hqo n GLY 146 Ca 0.01 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 3hqo n GLY 146 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hqo n ILE 147 N -3.99 1.60 -3.46 -0.61 5.41 -0.48 -4.87 119.36 112.97 3hqo n ILE 147 Ca -0.11 -0.31 -0.38 0.00 1.00 0.00 0.00 62.75 62.95 3hqo n ILE 147 Cb 0.59 -1.88 -0.06 0.00 -0.71 0.00 0.00 39.64 37.58 3hqo n ILE 147 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3hqo s LEU 148 N -7.47 4.42 -0.03 1.39 2.96 -0.28 -4.95 118.68 114.72 3hqo s LEU 148 Ca -0.29 0.91 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 3hqo s LEU 148 Cb 0.08 -2.60 0.01 0.00 0.50 0.00 0.00 46.19 44.17 3hqo s LEU 148 CO 0.63 0.24 -0.08 -0.63 -1.32 0.00 0.00 176.35 175.19 3hqo s ILE 149 N -0.62 0.74 0.01 6.68 1.01 -1.26 -1.10 121.20 126.66 3hqo s ILE 149 Ca 0.24 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.65 3hqo s ILE 149 Cb -0.16 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 3hqo s ILE 149 CO 0.12 0.25 -0.20 -0.76 0.00 0.00 0.00 174.94 174.35 3hqo s LEU 150 N 0.42 2.10 -0.23 2.97 1.43 -0.80 -2.30 118.68 122.27 3hqo s LEU 150 Ca -0.07 -0.44 -0.19 0.00 -1.03 0.00 0.00 54.13 52.40 3hqo s LEU 150 Cb -0.11 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 3hqo s LEU 150 CO 0.01 0.20 0.56 -1.58 0.23 0.00 0.00 176.35 175.77 3hqo s GLN 151 N -0.82 4.14 -0.48 1.70 2.00 0.03 -2.13 119.66 124.10 3hqo s GLN 151 Ca 0.07 0.45 -0.28 0.00 -2.00 0.00 0.00 55.36 53.61 3hqo s GLN 151 Cb -0.08 -3.61 0.03 0.00 0.80 0.00 0.00 33.01 30.15 3hqo s GLN 151 CO 0.00 -0.28 1.08 0.08 -0.50 0.00 0.00 175.29 175.67 3hqo s VAL 152 N 2.08 4.27 0.00 1.34 1.01 -0.43 -1.24 120.40 127.43 3hqo s VAL 152 Ca 0.25 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.29 3hqo s VAL 152 Cb -0.16 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.66 3hqo s VAL 152 CO 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 175.10 174.21 3hqo n GLN 153 N 7.69 0.00 -4.27 2.72 1.13 -0.50 -1.43 117.38 122.72 3hqo n GLN 153 Ca 0.10 0.24 -0.15 0.00 -1.94 0.00 0.00 57.00 55.26 3hqo n GLN 153 Cb 0.49 -0.70 -0.10 0.00 0.11 0.00 0.00 30.24 30.04 3hqo n GLN 153 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3hqo s SER 154 N -2.59 0.78 -0.33 1.08 1.04 -1.14 -4.44 113.70 108.10 3hqo s SER 154 Ca 0.00 -1.41 -0.23 0.00 0.48 0.00 0.00 55.95 54.79 3hqo s SER 154 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3hqo s SER 154 CO 0.00 -0.80 0.79 -1.00 0.98 0.00 0.00 173.24 173.21 3hqo s HIS 155 N -3.91 3.16 0.03 5.02 3.76 -1.26 -1.19 115.29 120.89 3hqo s HIS 155 Ca 0.38 0.70 -0.22 0.00 -0.15 0.00 0.00 55.06 55.77 3hqo s HIS 155 Cb 0.07 -3.31 -0.16 0.00 1.11 0.00 0.00 32.58 30.29 3hqo s HIS 155 CO 0.14 -0.65 1.36 1.49 -0.85 0.00 0.00 174.74 176.23 3hqo h GLU 156 N 8.29 0.23 0.00 1.40 4.22 -1.47 -3.46 114.58 123.78 3hqo h GLU 156 Ca -0.24 -0.11 -0.29 0.00 0.08 0.00 0.00 59.36 58.80 3hqo h GLU 156 Cb 1.09 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.27 3hqo h GLU 156 CO 0.90 0.61 -0.26 -0.40 -2.18 0.00 0.00 179.01 177.68 3hqo n ASP 157 N -4.69 -0.60 -0.33 1.04 5.68 -1.19 -4.95 116.55 111.50 3hqo n ASP 157 Ca -0.07 -2.43 0.30 0.00 -0.50 0.00 0.00 54.79 52.10 3hqo n ASP 157 Cb 0.29 1.30 0.65 0.00 -1.14 0.00 0.00 41.12 42.22 3hqo n ASP 157 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3hqo h GLU 158 N 0.00 0.16 0.00 0.11 4.81 -2.02 -2.35 114.58 115.29 3hqo h GLU 158 Ca -0.17 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.03 3hqo h GLU 158 Cb 0.81 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3hqo h GLU 158 CO 0.24 0.11 -2.03 1.04 -0.73 0.00 0.00 179.01 177.64 3hqo n GLN 159 N -4.40 0.66 -4.35 1.92 6.02 -1.26 -4.73 117.38 111.25 3hqo n GLN 159 Ca 0.26 -0.18 -0.26 0.00 -0.01 0.00 0.00 57.00 56.81 3hqo n GLN 159 Cb 1.11 -1.52 -0.10 0.00 1.02 0.00 0.00 30.24 30.75 3hqo n GLN 159 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hqo s THR 160 N -3.44 2.88 -0.06 5.09 2.01 -0.89 -1.61 115.64 119.62 3hqo s THR 160 Ca -0.08 -1.84 0.02 0.00 0.31 0.00 0.00 61.69 60.10 3hqo s THR 160 Cb 0.13 -2.43 0.02 0.00 0.01 0.00 0.00 72.50 70.23 3hqo s THR 160 CO 0.90 -0.14 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.83 3hqo s LEU 161 N -2.86 1.57 -0.10 4.42 1.43 -0.36 -1.21 118.68 121.58 3hqo s LEU 161 Ca 0.24 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 3hqo s LEU 161 Cb -0.08 -0.76 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 3hqo s LEU 161 CO 0.14 0.01 1.18 -0.70 0.23 0.00 0.00 176.35 177.21 3hqo s GLU 162 N 0.75 4.33 0.02 1.70 2.12 -0.33 -2.63 118.70 124.65 3hqo s GLU 162 Ca -0.13 1.61 0.02 0.00 0.36 0.00 0.00 54.97 56.83 3hqo s GLU 162 Cb -0.15 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.61 3hqo s GLU 162 CO 0.03 -0.50 -0.06 0.00 -0.54 0.00 0.00 175.26 174.18 3hqo s THR 164 N -0.87 4.63 -0.22 0.00 2.01 -0.37 -1.62 115.64 119.20 3hqo s THR 164 Ca -0.05 -0.11 -0.25 0.00 0.31 0.00 0.00 61.69 61.59 3hqo s THR 164 Cb -0.07 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 3hqo s THR 164 CO 0.00 0.53 0.84 -0.69 -0.69 0.00 0.00 174.62 174.62 3hqo s VAL 165 N -0.21 4.84 -1.46 3.82 1.01 -0.04 -0.79 120.40 127.56 3hqo s VAL 165 Ca 0.07 1.62 0.27 0.00 0.00 0.00 0.00 61.98 63.94 3hqo s VAL 165 Cb -0.12 -4.14 0.27 0.00 0.00 0.00 0.00 36.38 32.39 3hqo s VAL 165 CO 0.02 -0.04 1.67 0.35 0.00 0.00 0.00 175.10 177.09 3hqo n THR 166 N 5.07 0.00 -3.59 3.92 -2.24 -0.97 -0.84 114.28 115.63 3hqo n THR 166 Ca 0.06 -0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 3hqo n THR 166 Cb 0.48 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 3hqo n THR 166 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hqo s ASN 167 N -2.66 -0.51 0.44 3.42 2.20 -1.26 -4.76 114.94 111.81 3hqo s ASN 167 Ca 0.22 0.77 -0.24 0.00 -0.94 0.00 0.00 52.86 52.67 3hqo s ASN 167 Cb 0.19 0.71 -0.08 0.00 -2.00 0.00 0.00 41.25 40.07 3hqo s ASN 167 CO 0.55 -0.32 1.19 -0.44 -2.94 0.00 0.00 177.10 175.14 3hqo s SER 168 N -0.48 6.27 0.00 3.54 0.01 -1.26 -4.22 113.70 117.57 3hqo s SER 168 Ca -0.02 2.38 0.00 0.00 1.31 0.00 0.00 55.95 59.62 3hqo s SER 168 Cb -0.02 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.59 3hqo s SER 168 CO 0.01 -0.85 0.00 1.57 0.41 0.00 0.00 173.24 174.37 3hqo n HIS 169 N -0.25 0.00 -3.85 2.43 -0.00 -0.03 -4.90 115.22 108.63 3hqo n HIS 169 Ca 0.06 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.43 3hqo n HIS 169 Cb 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.38 3hqo n HIS 169 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3hqo s THR 170 N -1.64 5.20 0.12 3.57 2.01 -1.26 -0.63 115.64 123.01 3hqo s THR 170 Ca 0.00 0.11 0.09 0.00 0.31 0.00 0.00 61.69 62.20 3hqo s THR 170 Cb 0.00 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 3hqo s THR 170 CO 0.00 0.48 -0.23 0.27 -0.69 0.00 0.00 174.62 174.45 3hqo s ILE 171 N 0.14 1.93 0.18 1.82 -4.36 -0.91 -4.96 121.20 115.04 3hqo s ILE 171 Ca 0.08 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 3hqo s ILE 171 Cb -0.12 -1.76 0.04 0.00 1.25 0.00 0.00 42.46 41.87 3hqo s ILE 171 CO -0.00 -0.05 0.25 -1.20 0.24 0.00 0.00 174.94 174.17 3hqo n SER 172 N 0.87 0.35 -4.79 4.36 7.64 -1.26 -2.01 113.62 118.77 3hqo n SER 172 Ca -0.18 -1.29 -0.31 0.00 1.01 0.00 0.00 58.87 58.11 3hqo n SER 172 Cb 0.54 -0.16 0.07 0.00 -1.01 0.00 0.00 64.21 63.65 3hqo n SER 172 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3hqo s ASP 173 N -2.00 4.90 -0.97 6.43 1.01 -1.26 -4.17 116.67 120.62 3hqo s ASP 173 Ca 0.16 1.69 -0.02 0.00 0.71 0.00 0.00 52.55 55.10 3hqo s ASP 173 Cb -0.01 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.44 3hqo s ASP 173 CO 0.11 -1.76 0.03 0.54 0.21 0.00 0.00 175.17 174.30 3hqo n ARG 174 N -3.34 -0.93 -3.14 8.23 3.00 -0.63 -4.91 116.66 114.94 3hqo n ARG 174 Ca 0.08 0.04 -0.38 0.00 -0.01 0.00 0.00 57.85 57.58 3hqo n ARG 174 Cb 0.53 -2.19 -0.06 0.00 0.00 0.00 0.00 32.46 30.75 3hqo n ARG 174 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3hqo s ARG 175 N -5.84 4.32 0.55 5.56 1.81 -1.26 -4.75 118.95 119.34 3hqo s ARG 175 Ca 0.02 0.89 -0.20 0.00 -1.72 0.00 0.00 55.73 54.72 3hqo s ARG 175 Cb -0.01 -3.13 -0.05 0.00 -0.45 0.00 0.00 34.95 31.30 3hqo s ARG 175 CO 0.63 0.55 1.22 0.20 -0.68 0.00 0.00 175.30 177.22 3hqo s GLY 176 N -1.30 2.77 -0.07 -3.53 0.00 -1.26 -1.52 107.32 102.41 3hqo s GLY 176 Ca 0.35 1.04 0.02 0.00 0.00 0.00 0.00 44.72 46.14 3hqo s GLY 176 CO 0.22 1.47 -0.12 0.54 0.00 0.00 0.00 173.10 175.21 3hqo s VAL 177 N -1.54 1.14 0.07 1.40 0.11 0.14 -1.50 120.40 120.22 3hqo s VAL 177 Ca 0.73 -0.47 0.03 0.00 -2.93 0.00 0.00 61.98 59.34 3hqo s VAL 177 Cb -0.32 -1.06 -0.04 0.00 -1.53 0.00 0.00 36.38 33.44 3hqo s VAL 177 CO 0.36 0.36 0.05 0.20 -3.33 0.00 0.00 175.10 172.74 3hqo s ASN 178 N 0.79 5.40 -0.31 3.54 0.01 0.04 -4.29 114.94 120.13 3hqo s ASN 178 Ca -0.12 -0.03 -0.02 0.00 -0.71 0.00 0.00 52.86 51.98 3hqo s ASN 178 Cb -0.15 -1.42 0.12 0.00 0.41 0.00 0.00 41.25 40.20 3hqo s ASN 178 CO 0.02 0.19 0.21 -0.76 -1.51 0.00 0.00 177.10 175.25 3hqo s LEU 179 N -2.23 0.34 0.41 0.60 1.43 -1.26 -1.15 118.68 116.81 3hqo s LEU 179 Ca 0.27 -1.30 -0.08 0.00 -1.03 0.00 0.00 54.13 51.99 3hqo s LEU 179 Cb -0.12 -0.05 -0.05 0.00 0.03 0.00 0.00 46.19 46.00 3hqo s LEU 179 CO 0.19 -0.39 0.75 -2.16 0.23 0.00 0.00 176.35 174.97 3hqo s PRO 180 N 1.97 3.69 -1.46 1.29 0.04 -1.26 -4.24 135.00 135.03 3hqo s PRO 180 Ca 0.11 0.33 -0.08 0.00 0.04 0.00 0.00 61.00 61.41 3hqo s PRO 180 Cb -0.16 -2.42 0.04 0.00 0.04 0.00 0.00 34.50 31.99 3hqo s PRO 180 CO -0.28 -0.05 0.69 0.41 0.04 0.00 0.00 177.00 177.81 3hqo n GLY 181 N -1.53 -0.51 0.00 0.56 0.00 -1.26 -4.83 105.19 97.61 3hqo n GLY 181 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3hqo n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqo n ASP 183 N -0.70 -6.61 -4.66 0.00 4.64 -1.26 -4.81 116.55 103.14 3hqo n ASP 183 Ca 0.00 0.44 -0.42 0.00 -1.38 0.00 0.00 54.79 53.43 3hqo n ASP 183 Cb 0.00 -2.22 -0.03 0.00 -1.04 0.00 0.00 41.12 37.84 3hqo n ASP 183 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3hqo s VAL 184 N -1.22 3.15 -1.26 5.18 -7.23 -1.26 -4.86 120.40 112.89 3hqo s VAL 184 Ca 0.08 0.19 -0.10 0.00 -1.81 0.00 0.00 61.98 60.35 3hqo s VAL 184 Cb -0.01 -3.13 -0.07 0.00 0.56 0.00 0.00 36.38 33.74 3hqo s VAL 184 CO 0.29 -0.02 2.46 -0.67 -0.31 0.00 0.00 175.10 176.85 3hqo n ASP 185 N 7.38 6.21 -4.47 4.85 2.03 -1.26 -4.87 116.55 126.42 3hqo n ASP 185 Ca 0.19 -2.51 -0.33 0.00 0.52 0.00 0.00 54.79 52.66 3hqo n ASP 185 Cb 0.41 -1.35 -0.13 0.00 -0.72 0.00 0.00 41.12 39.33 3hqo n ASP 185 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hqo s LEU 186 N 0.44 2.71 0.59 -2.67 1.43 -1.26 -5.05 118.68 114.88 3hqo s LEU 186 Ca 0.54 -0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 53.24 3hqo s LEU 186 Cb 0.14 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 3hqo s LEU 186 CO -0.04 0.34 1.30 -2.65 0.23 0.00 0.00 176.35 175.54 3hqo n PRO 187 N 2.34 1.39 0.01 1.29 -0.02 -1.26 -4.96 135.00 133.80 3hqo n PRO 187 Ca -0.17 0.53 -0.01 0.00 -2.02 0.00 0.00 63.50 61.82 3hqo n PRO 187 Cb 0.52 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.47 3hqo n PRO 187 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqo h ALA 188 N 0.99 -0.68 -3.04 3.55 0.00 -1.97 -3.38 119.26 114.73 3hqo h ALA 188 Ca -0.51 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 53.69 3hqo h ALA 188 Cb 1.32 0.38 -0.27 0.00 0.00 0.00 0.00 17.79 19.22 3hqo h ALA 188 CO 0.55 -0.69 -0.57 0.54 0.00 0.00 0.00 179.25 179.08 3hqo s VAL 189 N -3.19 4.03 0.85 0.00 0.11 -1.26 -4.56 120.40 116.38 3hqo s VAL 189 Ca -0.01 -1.07 -0.12 0.00 -2.93 0.00 0.00 61.98 57.86 3hqo s VAL 189 Cb 0.00 -3.28 0.10 0.00 -1.53 0.00 0.00 36.38 31.67 3hqo s VAL 189 CO 0.04 -0.21 1.10 -0.94 -3.33 0.00 0.00 175.10 171.76 3hqo s SER 190 N 1.47 3.97 0.18 3.54 1.04 -1.26 -4.86 113.70 117.78 3hqo s SER 190 Ca -0.00 1.31 -0.14 0.00 0.48 0.00 0.00 55.95 57.59 3hqo s SER 190 Cb -0.20 -2.00 0.15 0.00 0.10 0.00 0.00 66.02 64.07 3hqo s SER 190 CO 0.04 -2.30 1.73 0.00 0.98 0.00 0.00 173.24 173.69 3hqo h ALA 191 N -1.32 0.51 -0.90 5.32 0.00 -1.99 -0.74 119.26 120.14 3hqo h ALA 191 Ca -0.49 0.08 0.21 0.00 0.00 0.00 0.00 54.91 54.72 3hqo h ALA 191 Cb 1.28 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 3hqo h ALA 191 CO 0.58 -0.29 0.60 0.87 0.00 0.00 0.00 179.25 181.01 3hqo h LYS 192 N 0.25 0.37 -0.00 0.00 1.57 -1.99 -2.62 116.57 114.15 3hqo h LYS 192 Ca 0.22 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.81 3hqo h LYS 192 Cb 0.27 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.51 3hqo h LYS 192 CO -0.27 0.24 -0.65 -0.44 -0.57 0.00 0.00 179.45 177.76 3hqo h ASP 193 N 0.38 0.57 -0.84 0.86 3.32 -1.50 -1.96 116.42 117.26 3hqo h ASP 193 Ca 0.47 -0.76 0.12 0.00 0.02 0.00 0.00 57.03 56.88 3hqo h ASP 193 Cb 1.21 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.53 3hqo h ASP 193 CO -0.17 1.25 0.54 0.03 -1.72 0.00 0.00 179.24 179.18 3hqo h ARG 194 N -0.06 0.66 0.12 3.56 3.08 -1.15 1.00 114.38 121.59 3hqo h ARG 194 Ca -0.08 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3hqo h ARG 194 Cb 1.35 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3hqo h ARG 194 CO 0.13 0.44 -0.06 0.28 -1.07 0.00 0.00 179.97 179.69 3hqo h VAL 195 N 0.68 0.98 -0.57 2.04 2.07 -1.49 -2.67 116.25 117.29 3hqo h VAL 195 Ca 0.41 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3hqo h VAL 195 Cb 0.61 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3hqo h VAL 195 CO -0.17 0.10 0.31 0.44 0.02 0.00 0.00 177.57 178.27 3hqo h ASP 196 N -0.36 0.72 -0.27 0.57 3.32 -0.09 -2.78 116.42 117.53 3hqo h ASP 196 Ca -0.02 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 3hqo h ASP 196 Cb 0.29 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3hqo h ASP 196 CO 0.03 0.61 0.00 -0.07 -1.72 0.00 0.00 179.24 178.09 3hqo h LEU 197 N 0.77 0.46 -0.95 1.55 3.38 0.85 -2.67 115.31 118.70 3hqo h LEU 197 Ca 0.20 -0.31 0.10 0.00 0.09 0.00 0.00 57.88 57.97 3hqo h LEU 197 Cb 0.05 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 3hqo h LEU 197 CO -0.03 0.65 0.59 -0.61 0.09 0.00 0.00 178.44 179.13 3hqo h GLN 198 N 0.25 0.94 -0.31 1.13 4.15 -1.43 -0.17 115.11 119.68 3hqo h GLN 198 Ca 0.08 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 3hqo h GLN 198 Cb 0.42 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 3hqo h GLN 198 CO 0.01 0.62 0.05 0.35 -1.93 0.00 0.00 178.83 177.94 3hqo h PHE 199 N 0.97 0.45 -0.32 3.99 3.57 -1.31 -1.97 116.94 122.33 3hqo h PHE 199 Ca 0.46 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.88 3hqo h PHE 199 Cb 0.39 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3hqo h PHE 199 CO -0.02 0.42 -0.01 0.78 -2.23 0.00 0.00 178.31 177.25 3hqo h GLY 200 N 0.70 0.62 1.01 2.40 0.00 -0.71 -2.32 103.07 104.78 3hqo h GLY 200 Ca 0.10 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 3hqo h GLY 200 CO 0.00 0.43 0.30 -2.08 0.00 0.00 0.00 176.54 175.19 3hqo h VAL 201 N 0.37 1.23 -0.15 4.60 2.07 -1.03 0.20 116.25 123.55 3hqo h VAL 201 Ca 0.09 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3hqo h VAL 201 Cb 0.47 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3hqo h VAL 201 CO 0.02 0.28 0.05 -0.33 0.02 0.00 0.00 177.57 177.61 3hqo h GLU 202 N 0.94 0.24 0.00 1.57 5.08 -1.33 -3.04 114.58 118.04 3hqo h GLU 202 Ca 0.23 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 3hqo h GLU 202 Cb 0.16 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3hqo h GLU 202 CO -0.02 0.36 -0.47 1.96 -1.00 0.00 0.00 179.01 179.85 3hqo h GLN 203 N 0.06 0.00 -0.59 2.33 1.08 -1.38 -3.48 115.11 113.13 3hqo h GLN 203 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3hqo h GLN 203 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3hqo h GLN 203 CO -0.00 0.47 0.00 0.41 -0.95 0.00 0.00 178.83 178.75 3hqo n GLY 204 N 0.73 0.63 3.75 3.46 0.00 0.58 -5.07 105.19 109.26 3hqo n GLY 204 Ca 0.01 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 3hqo n GLY 204 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqo s VAL 205 N -1.89 2.43 0.04 1.61 -7.23 -0.37 -4.96 120.40 110.02 3hqo s VAL 205 Ca 0.00 0.29 0.03 0.00 -1.81 0.00 0.00 61.98 60.49 3hqo s VAL 205 Cb 0.00 -3.13 -0.25 0.00 0.56 0.00 0.00 36.38 33.56 3hqo s VAL 205 CO 0.00 -0.03 0.98 0.44 -0.31 0.00 0.00 175.10 176.18 3hqo h ASP 206 N 1.20 0.20 -5.03 4.85 3.32 -1.66 -3.46 116.42 115.84 3hqo h ASP 206 Ca -0.51 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.18 3hqo h ASP 206 Cb 1.30 -0.07 -0.18 0.00 0.22 0.00 0.00 39.33 40.61 3hqo h ASP 206 CO 0.56 1.22 -0.20 0.00 -1.72 0.00 0.00 179.24 179.11 3hqo s MET 207 N -2.65 0.82 -0.22 3.56 0.23 -1.18 -3.01 119.30 116.85 3hqo s MET 207 Ca -0.05 -0.37 -0.05 0.00 -1.03 0.00 0.00 55.69 54.19 3hqo s MET 207 Cb 0.08 0.36 -0.02 0.00 -1.53 0.00 0.00 34.83 33.72 3hqo s MET 207 CO 0.84 -0.26 0.01 0.42 -2.03 0.00 0.00 175.02 174.00 3hqo s ILE 208 N -2.20 3.91 -0.89 3.16 -1.09 0.67 -1.36 121.20 123.41 3hqo s ILE 208 Ca -0.07 -0.32 -0.19 0.00 -2.23 0.00 0.00 60.65 57.84 3hqo s ILE 208 Cb -0.02 -2.79 0.13 0.00 -1.58 0.00 0.00 42.46 38.20 3hqo s ILE 208 CO -0.01 0.40 1.08 -0.36 -1.23 0.00 0.00 174.94 174.82 3hqo s PHE 209 N 1.27 3.11 -0.16 3.97 0.08 0.22 0.07 117.98 126.54 3hqo s PHE 209 Ca 0.04 -1.34 -0.29 0.00 0.12 0.00 0.00 56.93 55.46 3hqo s PHE 209 Cb -0.15 -4.25 -0.02 0.00 -0.57 0.00 0.00 43.02 38.04 3hqo s PHE 209 CO 0.01 -1.47 1.30 0.00 -0.10 0.00 0.00 175.22 174.96 3hqo s ALA 210 N 2.66 3.65 0.51 5.36 0.00 0.65 -2.22 121.76 132.37 3hqo s ALA 210 Ca 0.30 0.49 -0.18 0.00 0.00 0.00 0.00 51.96 52.58 3hqo s ALA 210 Cb -0.07 -3.64 -0.08 0.00 0.00 0.00 0.00 23.12 19.34 3hqo s ALA 210 CO -0.07 -1.21 0.99 -1.12 0.00 0.00 0.00 175.76 174.35 3hqo s SER 211 N 2.12 6.56 -1.49 0.00 0.01 -1.26 -0.57 113.70 119.07 3hqo s SER 211 Ca 0.56 1.65 -0.16 0.00 1.31 0.00 0.00 55.95 59.32 3hqo s SER 211 Cb -0.23 -2.52 0.14 0.00 0.21 0.00 0.00 66.02 63.62 3hqo s SER 211 CO 0.16 -0.63 0.61 0.49 0.41 0.00 0.00 173.24 174.28 3hqo n PHE 212 N -1.40 -1.66 -1.93 2.43 3.72 -1.22 -4.83 117.46 112.57 3hqo n PHE 212 Ca 0.07 0.63 -0.41 0.00 -0.05 0.00 0.00 57.45 57.69 3hqo n PHE 212 Cb 0.54 -2.58 -0.02 0.00 -0.94 0.00 0.00 39.48 36.48 3hqo n PHE 212 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3hqo s ILE 213 N -3.07 2.38 0.00 4.37 -1.09 -1.16 -4.92 121.20 117.71 3hqo s ILE 213 Ca 0.61 0.35 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 3hqo s ILE 213 Cb -0.34 -3.22 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 3hqo s ILE 213 CO 0.76 0.07 0.00 -2.11 -1.23 0.00 0.00 174.94 172.42 3hqo n ARG 214 N 1.52 3.43 -3.93 2.79 1.85 -1.26 -4.30 116.66 116.77 3hqo n ARG 214 Ca 0.04 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.80 3hqo n ARG 214 Cb 0.40 -0.66 -0.07 0.00 -1.05 0.00 0.00 32.46 31.08 3hqo n ARG 214 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3hqo s SER 215 N -0.79 0.03 0.04 2.89 1.04 -1.26 -3.91 113.70 111.74 3hqo s SER 215 Ca 0.00 -0.81 -0.25 0.00 0.48 0.00 0.00 55.95 55.37 3hqo s SER 215 Cb 0.00 0.43 -0.17 0.00 0.10 0.00 0.00 66.02 66.38 3hqo s SER 215 CO 0.00 -0.88 1.53 0.00 0.98 0.00 0.00 173.24 174.88 3hqo h ALA 216 N 2.55 -0.08 -1.01 5.32 0.00 -1.89 -2.89 119.26 121.27 3hqo h ALA 216 Ca -0.32 -0.11 0.26 0.00 0.00 0.00 0.00 54.91 54.75 3hqo h ALA 216 Cb 1.23 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 3hqo h ALA 216 CO 0.49 -0.45 0.61 1.49 0.00 0.00 0.00 179.25 181.39 3hqo h GLU 217 N -0.27 0.50 -0.68 0.00 4.81 -1.97 -0.40 114.58 116.56 3hqo h GLU 217 Ca -0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3hqo h GLU 217 Cb 0.24 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3hqo h GLU 217 CO 0.01 0.33 0.41 0.37 -0.73 0.00 0.00 179.01 179.40 3hqo h GLN 218 N 0.52 0.93 -0.50 1.92 4.15 -1.92 -2.51 115.11 117.69 3hqo h GLN 218 Ca 0.66 -0.08 -0.12 0.00 0.77 0.00 0.00 58.65 59.88 3hqo h GLN 218 Cb 1.34 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 3hqo h GLN 218 CO -0.47 0.65 -0.15 0.28 -1.93 0.00 0.00 178.83 177.21 3hqo h VAL 219 N 0.94 1.27 -0.52 2.39 2.07 -1.06 -2.87 116.25 118.48 3hqo h VAL 219 Ca 0.25 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.51 3hqo h VAL 219 Cb -0.03 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3hqo h VAL 219 CO -0.05 0.46 0.24 1.23 0.02 0.00 0.00 177.57 179.47 3hqo h GLY 220 N 0.85 0.72 1.04 2.17 0.00 -1.38 -1.50 103.07 104.97 3hqo h GLY 220 Ca 0.12 -0.15 0.14 0.00 0.00 0.00 0.00 47.33 47.44 3hqo h GLY 220 CO 0.06 0.07 0.35 -0.55 0.00 0.00 0.00 176.54 176.47 3hqo h ASP 221 N 0.45 0.00 0.08 0.19 3.32 -1.25 0.27 116.42 119.48 3hqo h ASP 221 Ca 0.24 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 3hqo h ASP 221 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3hqo h ASP 221 CO -0.20 0.00 -0.04 0.58 -1.72 0.00 0.00 179.24 177.87 3hqo h VAL 222 N 0.00 1.11 -0.49 -1.35 2.07 -1.16 -2.54 116.25 113.88 3hqo h VAL 222 Ca 0.22 -1.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 3hqo h VAL 222 Cb 0.92 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 3hqo h VAL 222 CO -0.00 0.31 0.08 -0.09 0.02 0.00 0.00 177.57 177.89 3hqo h ARG 223 N -0.85 0.77 -0.34 1.57 2.43 -0.84 -0.09 114.38 117.03 3hqo h ARG 223 Ca -0.01 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.90 3hqo h ARG 223 Cb 0.60 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3hqo h ARG 223 CO 0.02 0.73 -0.13 -0.22 -1.51 0.00 0.00 179.97 178.86 3hqo h LYS 224 N 0.74 0.60 0.00 0.20 3.64 -0.61 -2.68 116.57 118.46 3hqo h LYS 224 Ca 0.16 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3hqo h LYS 224 Cb 0.34 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3hqo h LYS 224 CO 0.01 0.72 -0.34 0.00 -2.27 0.00 0.00 179.45 177.57 3hqo h ALA 225 N 1.31 0.88 0.00 5.00 0.00 -0.88 -2.92 119.26 122.65 3hqo h ALA 225 Ca 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3hqo h ALA 225 Cb 0.55 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hqo h ALA 225 CO 0.03 0.42 -0.15 -0.07 0.00 0.00 0.00 179.25 179.48 3hqo h LEU 226 N 0.00 0.00 0.00 0.00 3.38 -0.70 -3.43 115.31 114.55 3hqo h LEU 226 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hqo h LEU 226 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3hqo h LEU 226 CO 0.04 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.34 3hqo n GLY 227 N -0.09 -2.60 0.23 0.83 0.00 -1.10 -3.62 105.19 98.83 3hqo n GLY 227 Ca -0.00 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.53 3hqo n GLY 227 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqo h PRO 228 N 0.00 0.00 -0.05 1.61 0.11 -1.88 -3.18 132.00 128.61 3hqo h PRO 228 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 3hqo h PRO 228 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3hqo h PRO 228 CO 0.00 0.00 -0.36 0.87 -0.21 0.00 0.00 178.00 178.30 3hqo h LYS 229 N 0.00 0.09 -1.85 1.05 1.79 -1.99 -3.26 116.57 112.41 3hqo h LYS 229 Ca 0.00 -0.04 -0.63 0.00 -2.18 0.00 0.00 60.65 57.80 3hqo h LYS 229 Cb 0.78 -0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.04 3hqo h LYS 229 CO 0.00 0.44 -0.31 0.41 -1.08 0.00 0.00 179.45 178.91 3hqo n GLY 230 N -0.42 5.85 0.10 3.86 0.00 -1.20 -4.71 105.19 108.66 3hqo n GLY 230 Ca -0.02 -2.72 -0.02 0.00 0.00 0.00 0.00 46.02 43.26 3hqo n GLY 230 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hqo h ARG 231 N 2.87 0.00 0.00 1.61 0.11 -1.68 -3.33 114.38 113.96 3hqo h ARG 231 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 3hqo h ARG 231 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 3hqo h ARG 231 CO 0.95 0.75 0.00 -0.44 0.10 0.00 0.00 179.97 181.33 3hqo h ASP 232 N 0.00 0.00 -3.46 0.08 3.32 -1.89 -3.46 116.42 111.01 3hqo h ASP 232 Ca -0.01 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.52 3hqo h ASP 232 Cb 1.54 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.11 3hqo h ASP 232 CO 0.10 0.00 0.53 -0.63 -1.72 0.00 0.00 179.24 177.52 3hqo s ILE 233 N -3.16 3.75 0.46 0.35 1.01 -1.25 -5.03 121.20 117.33 3hqo s ILE 233 Ca 0.09 1.44 -0.21 0.00 0.00 0.00 0.00 60.65 61.97 3hqo s ILE 233 Cb 0.09 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.54 3hqo s ILE 233 CO 0.63 0.22 1.01 -0.04 0.00 0.00 0.00 174.94 176.76 3hqo s MET 234 N -0.07 3.95 -0.35 2.79 -1.94 -1.17 -4.90 119.30 117.61 3hqo s MET 234 Ca 0.53 1.30 0.04 0.00 -1.71 0.00 0.00 55.69 55.85 3hqo s MET 234 Cb -0.31 -2.15 0.10 0.00 2.01 0.00 0.00 34.83 34.48 3hqo s MET 234 CO 0.35 -0.30 0.07 0.42 -0.01 0.00 0.00 175.02 175.55 3hqo s ILE 235 N -2.01 2.20 -0.36 2.53 1.01 -1.26 -0.23 121.20 123.07 3hqo s ILE 235 Ca 0.65 -2.34 -0.19 0.00 0.00 0.00 0.00 60.65 58.77 3hqo s ILE 235 Cb -0.15 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.70 3hqo s ILE 235 CO 0.18 -0.62 0.54 -0.63 0.00 0.00 0.00 174.94 174.42 3hqo s ILE 236 N 0.88 4.98 -0.14 2.92 -1.09 0.11 -1.72 121.20 127.14 3hqo s ILE 236 Ca 0.11 0.32 -0.29 0.00 -2.23 0.00 0.00 60.65 58.56 3hqo s ILE 236 Cb -0.19 -4.01 -0.01 0.00 -1.58 0.00 0.00 42.46 36.67 3hqo s ILE 236 CO -0.09 -0.28 1.00 0.00 -1.23 0.00 0.00 174.94 174.34 3hqo s LYS 238 N 2.26 3.29 -0.57 0.00 1.02 0.27 -0.60 119.74 125.41 3hqo s LYS 238 Ca 0.47 -0.40 -0.28 0.00 0.02 0.00 0.00 55.97 55.78 3hqo s LYS 238 Cb -0.17 -4.06 0.03 0.00 -0.52 0.00 0.00 37.83 33.11 3hqo s LYS 238 CO 0.15 -1.41 1.15 0.42 -0.92 0.00 0.00 175.35 174.74 3hqo s ILE 239 N 3.63 4.08 0.00 2.17 -1.09 -0.51 -2.96 121.20 126.52 3hqo s ILE 239 Ca 0.27 0.82 0.05 0.00 -2.23 0.00 0.00 60.65 59.56 3hqo s ILE 239 Cb -0.14 -4.69 0.08 0.00 -1.58 0.00 0.00 42.46 36.13 3hqo s ILE 239 CO 0.18 -1.29 0.96 -1.84 -1.23 0.00 0.00 174.94 171.72 3hqo n GLU 240 N 8.26 0.00 -4.13 2.79 0.28 -1.26 -3.42 120.64 123.16 3hqo n GLU 240 Ca 0.08 -1.06 -0.12 0.00 -0.16 0.00 0.00 57.16 55.90 3hqo n GLU 240 Cb 0.49 -0.29 -0.08 0.00 1.43 0.00 0.00 31.44 32.99 3hqo n GLU 240 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3hqo s ASN 241 N -1.06 0.29 0.13 -1.84 2.20 -1.26 -3.51 114.94 109.90 3hqo s ASN 241 Ca 0.07 -1.28 -0.23 0.00 -0.94 0.00 0.00 52.86 50.48 3hqo s ASN 241 Cb 0.08 0.50 -0.01 0.00 -2.00 0.00 0.00 41.25 39.81 3hqo s ASN 241 CO -0.03 -1.01 1.65 -0.74 -2.94 0.00 0.00 177.10 174.03 3hqo h HIS 242 N 2.40 -0.49 -0.03 1.54 -0.00 -1.95 -3.06 115.15 113.56 3hqo h HIS 242 Ca -0.31 0.03 -0.23 0.00 -0.00 0.00 0.00 60.37 59.86 3hqo h HIS 242 Cb 1.25 0.24 0.01 0.00 -0.00 0.00 0.00 27.41 28.90 3hqo h HIS 242 CO 0.61 -0.26 -0.91 -0.56 -0.00 0.00 0.00 177.93 176.82 3hqo h GLN 243 N -0.23 0.51 -0.99 5.26 3.07 -1.94 -3.16 115.11 117.63 3hqo h GLN 243 Ca 0.10 -0.51 0.22 0.00 0.09 0.00 0.00 58.65 58.55 3hqo h GLN 243 Cb 0.38 0.13 -0.09 0.00 0.08 0.00 0.00 27.48 27.98 3hqo h GLN 243 CO -0.28 1.14 0.63 0.78 0.09 0.00 0.00 178.83 181.19 3hqo h GLY 244 N 1.01 1.39 0.82 0.06 0.00 -1.65 0.19 103.07 104.88 3hqo h GLY 244 Ca -0.08 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 3hqo h GLY 244 CO 0.16 -0.08 -0.21 -2.08 0.00 0.00 0.00 176.54 174.33 3hqo h VAL 245 N 0.55 1.33 -0.19 4.60 2.07 -1.53 -2.48 116.25 120.60 3hqo h VAL 245 Ca 0.56 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 3hqo h VAL 245 Cb 1.17 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 3hqo h VAL 245 CO -0.31 0.42 -0.16 -0.61 0.02 0.00 0.00 177.57 176.93 3hqo h GLN 246 N 0.14 0.32 -0.63 1.57 4.15 -1.03 -2.69 115.11 116.94 3hqo h GLN 246 Ca 0.03 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3hqo h GLN 246 Cb 0.76 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.41 3hqo h GLN 246 CO 0.05 0.48 0.00 0.09 -1.93 0.00 0.00 178.83 177.52 3hqo n ASN 247 N -4.22 5.21 -0.32 -0.69 3.02 0.48 -4.68 115.26 114.06 3hqo n ASN 247 Ca -0.00 -2.64 0.18 0.00 -0.03 0.00 0.00 54.58 52.08 3hqo n ASN 247 Cb 0.31 -0.63 0.38 0.00 -0.61 0.00 0.00 39.78 39.23 3hqo n ASN 247 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3hqo h ILE 248 N 4.12 0.39 0.19 2.41 6.09 -1.09 -2.58 117.51 127.03 3hqo h ILE 248 Ca 0.00 -0.13 0.01 0.00 -1.37 0.00 0.00 64.86 63.37 3hqo h ILE 248 Cb 1.68 -0.01 -0.04 0.00 0.47 0.00 0.00 36.82 38.92 3hqo h ILE 248 CO 0.34 0.07 -0.50 0.44 -3.07 0.00 0.00 178.15 175.43 3hqo h ASP 249 N 0.37 -1.47 0.57 2.19 3.32 -1.86 0.04 116.42 119.58 3hqo h ASP 249 Ca 0.64 0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.75 3hqo h ASP 249 Cb 1.33 0.53 -0.01 0.00 0.22 0.00 0.00 39.33 41.40 3hqo h ASP 249 CO -0.57 -0.55 -0.40 0.77 -1.72 0.00 0.00 179.24 176.76 3hqo h SER 250 N -0.76 0.00 -0.24 6.45 4.64 -1.89 -2.63 113.55 119.12 3hqo h SER 250 Ca -0.02 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 3hqo h SER 250 Cb 0.74 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 3hqo h SER 250 CO -0.23 0.40 -0.08 0.40 -0.87 0.00 0.00 176.83 176.45 3hqo h ILE 251 N 0.00 1.29 -0.46 0.95 2.04 -1.16 -2.87 117.51 117.31 3hqo h ILE 251 Ca -0.00 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.78 3hqo h ILE 251 Cb 0.80 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 3hqo h ILE 251 CO 0.05 0.35 0.23 0.40 0.00 0.00 0.00 178.15 179.18 3hqo h ILE 252 N 0.21 0.95 -0.82 -0.67 2.04 -0.81 0.98 117.51 119.40 3hqo h ILE 252 Ca 0.06 -0.15 0.15 0.00 1.00 0.00 0.00 64.86 65.91 3hqo h ILE 252 Cb 0.56 0.46 -0.10 0.00 -0.74 0.00 0.00 36.82 37.01 3hqo h ILE 252 CO 0.03 0.08 0.39 -0.08 0.00 0.00 0.00 178.15 178.57 3hqo h GLU 253 N 0.45 0.54 0.13 2.37 4.57 -1.38 -2.44 114.58 118.83 3hqo h GLU 253 Ca 0.20 -0.03 -0.30 0.00 -1.18 0.00 0.00 59.36 58.06 3hqo h GLU 253 Cb 0.12 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3hqo h GLU 253 CO -0.15 0.35 -1.42 0.93 -1.18 0.00 0.00 179.01 177.55 3hqo h GLU 254 N 0.55 0.28 -7.52 1.92 4.39 -1.23 -3.47 114.58 109.50 3hqo h GLU 254 Ca 0.45 -0.48 -0.48 0.00 0.34 0.00 0.00 59.36 59.18 3hqo h GLU 254 Cb 0.66 0.18 0.09 0.00 -0.10 0.00 0.00 28.75 29.58 3hqo h GLU 254 CO -0.38 1.18 0.40 -1.54 -1.16 0.00 0.00 179.01 177.51 3hqo s SER 255 N -7.10 4.91 0.01 1.42 1.04 0.30 -4.99 113.70 109.30 3hqo s SER 255 Ca -0.07 1.03 0.22 0.00 0.48 0.00 0.00 55.95 57.61 3hqo s SER 255 Cb 0.07 -1.70 -0.05 0.00 0.10 0.00 0.00 66.02 64.43 3hqo s SER 255 CO 0.87 -1.67 0.97 0.47 0.98 0.00 0.00 173.24 174.86 3hqo n ASP 256 N -3.21 0.71 0.00 7.02 10.43 -0.70 -4.90 116.55 125.91 3hqo n ASP 256 Ca 0.07 -0.56 0.00 0.00 2.57 0.00 0.00 54.79 56.87 3hqo n ASP 256 Cb 0.58 0.94 0.00 0.00 1.84 0.00 0.00 41.12 44.48 3hqo n ASP 256 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hqo n GLY 257 N 1.44 0.02 3.29 0.44 0.00 -1.22 -4.20 105.19 104.95 3hqo n GLY 257 Ca 0.03 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 3hqo n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hqo s ILE 258 N -2.00 1.89 -0.12 -0.61 -1.09 -0.72 -1.24 121.20 117.31 3hqo s ILE 258 Ca 0.00 -1.21 0.01 0.00 -2.23 0.00 0.00 60.65 57.22 3hqo s ILE 258 Cb 0.00 -1.61 -0.01 0.00 -1.58 0.00 0.00 42.46 39.26 3hqo s ILE 258 CO 0.00 0.36 -0.16 -0.32 -1.23 0.00 0.00 174.94 173.59 3hqo s MET 259 N -1.02 3.29 -1.06 2.79 -2.45 0.23 -0.66 119.30 120.43 3hqo s MET 259 Ca 0.09 -0.74 -0.19 0.00 -1.25 0.00 0.00 55.69 53.61 3hqo s MET 259 Cb -0.09 -2.54 0.11 0.00 1.25 0.00 0.00 34.83 33.55 3hqo s MET 259 CO 0.01 0.20 1.36 0.08 1.05 0.00 0.00 175.02 177.72 3hqo s VAL 260 N 0.37 4.47 -0.84 10.11 1.01 0.22 -1.42 120.40 134.32 3hqo s VAL 260 Ca -0.13 -1.58 -0.25 0.00 0.00 0.00 0.00 61.98 60.01 3hqo s VAL 260 Cb -0.16 -4.94 0.03 0.00 0.00 0.00 0.00 36.38 31.30 3hqo s VAL 260 CO 0.06 -1.73 1.45 0.00 0.00 0.00 0.00 175.10 174.89 3hqo s ALA 261 N 3.36 2.60 0.07 5.51 0.00 -1.22 -3.30 121.76 128.77 3hqo s ALA 261 Ca 0.41 -1.64 0.15 0.00 0.00 0.00 0.00 51.96 50.88 3hqo s ALA 261 Cb -0.02 -4.39 0.29 0.00 0.00 0.00 0.00 23.12 19.01 3hqo s ALA 261 CO -0.05 -3.59 1.55 0.00 0.00 0.00 0.00 175.76 173.67 3hqo h ARG 262 N 10.52 0.00 -0.03 0.00 3.08 -1.86 -3.07 114.38 123.02 3hqo h ARG 262 Ca -0.07 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3hqo h ARG 262 Cb 1.04 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 3hqo h ARG 262 CO 1.32 0.55 -0.38 0.78 -1.07 0.00 0.00 179.97 181.18 3hqo h GLY 263 N 2.66 -1.22 1.93 0.04 0.00 -1.88 0.27 103.07 104.88 3hqo h GLY 263 Ca -0.01 0.66 -0.14 0.00 0.00 0.00 0.00 47.33 47.84 3hqo h GLY 263 CO 0.07 -0.32 -0.63 -0.55 0.00 0.00 0.00 176.54 175.11 3hqo h ASP 264 N -0.45 0.08 -0.36 0.19 3.32 -1.86 -3.20 116.42 114.14 3hqo h ASP 264 Ca 0.01 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3hqo h ASP 264 Cb 0.50 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3hqo h ASP 264 CO -0.27 0.69 0.09 0.25 -1.72 0.00 0.00 179.24 178.28 3hqo h LEU 265 N 0.05 0.55 0.00 1.55 6.46 -1.38 -1.78 115.31 120.76 3hqo h LEU 265 Ca -0.01 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 3hqo h LEU 265 Cb 1.12 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 3hqo h LEU 265 CO 0.09 0.63 0.00 0.61 -0.62 0.00 0.00 178.44 179.15 3hqo n GLY 266 N -0.59 -0.44 0.26 3.75 0.00 0.92 -0.54 105.19 108.56 3hqo n GLY 266 Ca -0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 3hqo n GLY 266 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hqo n VAL 267 N -1.32 1.03 0.12 1.61 0.31 -1.04 -4.20 118.33 114.85 3hqo n VAL 267 Ca 0.02 -0.32 0.01 0.00 -0.01 0.00 0.00 64.34 64.03 3hqo n VAL 267 Cb 0.03 -1.47 0.34 0.00 -0.91 0.00 0.00 33.84 31.83 3hqo n VAL 267 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3hqo h GLU 268 N -0.37 0.21 -6.20 5.55 4.39 -0.43 -3.43 114.58 114.30 3hqo h GLU 268 Ca -0.44 -0.07 -0.60 0.00 0.34 0.00 0.00 59.36 58.59 3hqo h GLU 268 Cb 1.51 -0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 29.99 3hqo h GLU 268 CO -0.19 0.45 -0.77 0.96 -1.16 0.00 0.00 179.01 178.30 3hqo s ILE 269 N -4.50 2.35 -0.05 3.13 -4.36 0.30 -4.66 121.20 113.43 3hqo s ILE 269 Ca -0.05 -2.30 -0.32 0.00 -0.26 0.00 0.00 60.65 57.72 3hqo s ILE 269 Cb 0.15 -2.22 -0.10 0.00 1.25 0.00 0.00 42.46 41.53 3hqo s ILE 269 CO 0.74 -0.37 1.95 -2.65 0.24 0.00 0.00 174.94 174.86 3hqo n PRO 270 N -0.40 2.46 -0.38 0.37 -0.02 -1.26 -4.53 135.00 131.24 3hqo n PRO 270 Ca -0.07 0.89 0.30 0.00 -2.02 0.00 0.00 63.50 62.61 3hqo n PRO 270 Cb 0.59 -2.84 0.58 0.00 -0.02 0.00 0.00 33.50 31.81 3hqo n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqo h ALA 271 N 10.25 2.42 -0.12 3.55 0.00 -1.91 0.77 119.26 134.23 3hqo h ALA 271 Ca -0.48 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3hqo h ALA 271 Cb 1.26 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3hqo h ALA 271 CO 0.95 -1.00 -0.11 1.05 0.00 0.00 0.00 179.25 180.13 3hqo h GLU 272 N 0.21 0.18 0.00 0.00 9.09 -1.94 -2.50 114.58 119.61 3hqo h GLU 272 Ca 0.75 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 60.12 3hqo h GLU 272 Cb 2.11 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 29.18 3hqo h GLU 272 CO -0.44 0.30 0.00 0.87 0.05 0.00 0.00 179.01 179.79 3hqo h LYS 273 N 0.17 0.00 -0.92 1.06 1.57 0.21 -3.03 116.57 115.63 3hqo h LYS 273 Ca 0.04 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.99 3hqo h LYS 273 Cb 0.31 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.52 3hqo h LYS 273 CO 0.02 0.00 0.51 0.28 -0.57 0.00 0.00 179.45 179.69 3hqo h VAL 274 N 0.00 0.70 -0.89 0.50 2.07 -1.46 -0.18 116.25 116.99 3hqo h VAL 274 Ca 0.00 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3hqo h VAL 274 Cb 0.71 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 3hqo h VAL 274 CO 0.00 0.12 0.58 0.58 0.02 0.00 0.00 177.57 178.88 3hqo h VAL 275 N 0.67 1.18 -0.16 2.57 2.07 -1.69 0.15 116.25 121.04 3hqo h VAL 275 Ca 0.52 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.57 3hqo h VAL 275 Cb 0.79 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3hqo h VAL 275 CO -0.38 0.21 -0.19 0.58 0.02 0.00 0.00 177.57 177.80 3hqo h VAL 276 N 1.15 1.35 -0.14 2.57 2.07 -1.26 -2.96 116.25 119.03 3hqo h VAL 276 Ca 0.35 -1.38 0.04 0.00 0.82 0.00 0.00 66.70 66.53 3hqo h VAL 276 Cb -0.05 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 3hqo h VAL 276 CO -0.10 0.41 -0.15 0.00 0.02 0.00 0.00 177.57 177.75 3hqo h ALA 277 N 0.60 -0.06 -0.44 1.67 0.00 -0.80 -1.99 119.26 118.24 3hqo h ALA 277 Ca 0.02 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3hqo h ALA 277 Cb 0.75 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 3hqo h ALA 277 CO 0.05 -0.60 -0.45 0.37 0.00 0.00 0.00 179.25 178.61 3hqo h GLN 278 N -0.18 -0.23 -0.62 0.00 4.15 -0.94 0.16 115.11 117.44 3hqo h GLN 278 Ca 0.10 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.66 3hqo h GLN 278 Cb 0.33 0.05 -0.12 0.00 0.21 0.00 0.00 27.48 27.95 3hqo h GLN 278 CO -0.25 -0.16 -0.20 0.87 -1.93 0.00 0.00 178.83 177.17 3hqo h LYS 279 N -0.24 -0.04 0.30 1.69 1.57 -1.32 -1.66 116.57 116.87 3hqo h LYS 279 Ca 0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3hqo h LYS 279 Cb 0.44 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3hqo h LYS 279 CO -0.55 -0.03 -0.14 0.82 -0.57 0.00 0.00 179.45 178.98 3hqo h ILE 280 N -0.04 0.72 0.46 1.86 2.04 -0.35 -0.82 117.51 121.37 3hqo h ILE 280 Ca 0.29 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 66.05 3hqo h ILE 280 Cb 0.49 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3hqo h ILE 280 CO -0.66 0.02 -0.29 -0.07 0.00 0.00 0.00 178.15 177.14 3hqo h LEU 281 N -0.45 -0.75 -0.64 1.44 3.38 -0.73 -0.81 115.31 116.75 3hqo h LEU 281 Ca -0.04 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3hqo h LEU 281 Cb 0.34 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.23 3hqo h LEU 281 CO 0.07 -0.44 -0.47 0.40 0.09 0.00 0.00 178.44 178.08 3hqo h ILE 282 N -0.71 0.00 -0.96 1.22 2.04 -1.30 0.13 117.51 117.93 3hqo h ILE 282 Ca -0.06 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.90 3hqo h ILE 282 Cb 0.57 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.57 3hqo h ILE 282 CO 0.05 0.00 0.59 0.28 0.00 0.00 0.00 178.15 179.08 3hqo h SER 283 N -0.12 0.88 -0.20 1.72 0.02 -1.14 0.79 113.55 115.50 3hqo h SER 283 Ca 0.10 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 3hqo h SER 283 Cb 0.39 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3hqo h SER 283 CO -0.66 0.49 -0.03 0.11 -1.14 0.00 0.00 176.83 175.60 3hqo h LYS 284 N 0.97 0.51 -0.19 3.45 1.57 0.69 -1.43 116.57 122.14 3hqo h LYS 284 Ca 0.46 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 59.05 3hqo h LYS 284 Cb 0.40 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3hqo h LYS 284 CO -0.25 0.56 -0.17 0.00 -0.57 0.00 0.00 179.45 179.03 3hqo h ASN 286 N 0.12 0.77 -0.28 0.00 -0.26 -0.22 0.41 115.58 116.11 3hqo h ASN 286 Ca 0.03 0.08 -0.17 0.00 -0.56 0.00 0.00 56.30 55.68 3hqo h ASN 286 Cb 0.71 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.89 3hqo h ASN 286 CO 0.04 0.32 -0.46 0.58 -1.06 0.00 0.00 177.43 176.85 3hqo h VAL 287 N 0.77 1.28 0.03 2.81 2.07 -1.28 -3.23 116.25 118.71 3hqo h VAL 287 Ca 0.54 -1.64 -0.22 0.00 0.82 0.00 0.00 66.70 66.20 3hqo h VAL 287 Cb 0.83 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3hqo h VAL 287 CO -0.32 0.54 -0.99 0.00 0.02 0.00 0.00 177.57 176.82 3hqo h ALA 288 N 0.79 0.37 0.00 1.67 0.00 -1.01 -3.48 119.26 117.60 3hqo h ALA 288 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3hqo h ALA 288 Cb 1.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hqo h ALA 288 CO 0.10 0.95 0.00 0.41 0.00 0.00 0.00 179.25 180.71 3hqo n GLY 289 N 1.10 0.91 3.66 0.00 0.00 0.13 -5.07 105.19 105.93 3hqo n GLY 289 Ca -0.05 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 3hqo n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqo s LYS 290 N -0.65 4.09 0.49 1.61 1.02 -1.05 -4.85 119.74 120.41 3hqo s LYS 290 Ca 0.00 -0.14 -0.22 0.00 0.02 0.00 0.00 55.97 55.63 3hqo s LYS 290 Cb 0.00 -3.55 -0.08 0.00 -0.52 0.00 0.00 37.83 33.69 3hqo s LYS 290 CO 0.00 0.02 1.11 -0.35 -0.92 0.00 0.00 175.35 175.21 3hqo n PRO 291 N 4.39 1.41 -4.95 -1.68 -0.04 -1.26 -4.48 135.00 128.38 3hqo n PRO 291 Ca -0.13 0.52 -0.27 0.00 -0.04 0.00 0.00 63.50 63.57 3hqo n PRO 291 Cb 0.52 -2.24 -0.16 0.00 -0.04 0.00 0.00 33.50 31.58 3hqo n PRO 291 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hqo s VAL 292 N -1.33 1.60 -0.16 0.52 0.11 -1.26 -1.75 120.40 118.13 3hqo s VAL 292 Ca 0.67 -0.82 -0.01 0.00 -2.93 0.00 0.00 61.98 58.90 3hqo s VAL 292 Cb -0.48 -1.36 -0.01 0.00 -1.53 0.00 0.00 36.38 33.00 3hqo s VAL 292 CO 0.53 0.45 -0.13 -0.63 -3.33 0.00 0.00 175.10 172.00 3hqo s ILE 293 N -0.06 2.90 -0.08 7.04 1.01 0.16 -1.86 121.20 130.31 3hqo s ILE 293 Ca -0.03 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 3hqo s ILE 293 Cb -0.12 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 3hqo s ILE 293 CO 0.02 0.50 0.30 0.00 0.00 0.00 0.00 174.94 175.76 3hqo s ALA 295 N -0.61 -0.90 0.00 0.00 0.00 -1.21 -1.26 121.76 117.78 3hqo s ALA 295 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.97 3hqo s ALA 295 Cb -0.14 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.79 3hqo s ALA 295 CO 0.08 -0.75 0.00 2.41 0.00 0.00 0.00 175.76 177.50 3hqo n THR 296 N -0.30 -1.34 -1.50 0.00 -1.04 -1.25 -3.48 114.28 105.37 3hqo n THR 296 Ca -0.12 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.72 3hqo n THR 296 Cb 0.63 -1.34 -0.07 0.00 -1.82 0.00 0.00 70.33 67.73 3hqo n THR 296 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hqo n GLN 297 N 0.76 -1.50 0.08 -2.82 6.02 -1.26 -4.82 117.38 113.84 3hqo n GLN 297 Ca 0.00 1.08 -0.02 0.00 -0.01 0.00 0.00 57.00 58.05 3hqo n GLN 297 Cb 0.00 -5.45 0.22 0.00 1.02 0.00 0.00 30.24 26.03 3hqo n GLN 297 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3hqo h MET 298 N 0.00 0.29 -0.25 -1.09 2.86 -1.87 -3.26 114.93 111.61 3hqo h MET 298 Ca -0.36 -0.13 -0.22 0.00 -2.06 0.00 0.00 59.70 56.93 3hqo h MET 298 Cb 1.25 -0.01 -0.32 0.00 0.06 0.00 0.00 31.60 32.58 3hqo h MET 298 CO 0.52 0.64 -0.91 1.28 1.06 0.00 0.00 176.91 179.49 3hqo n LEU 299 N -4.05 2.19 -0.30 1.22 4.77 -1.26 -4.61 117.00 114.95 3hqo n LEU 299 Ca -0.01 -3.15 0.02 0.00 -0.03 0.00 0.00 56.01 52.84 3hqo n LEU 299 Cb 0.47 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.62 3hqo n LEU 299 CO 0.42 1.11 0.67 -0.08 -1.33 0.00 0.00 177.39 178.19 3hqo h GLU 300 N 1.65 -0.01 0.00 3.23 4.57 -1.95 0.66 114.58 122.73 3hqo h GLU 300 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3hqo h GLU 300 Cb 1.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.07 3hqo h GLU 300 CO 0.21 -0.01 0.00 -1.13 -1.18 0.00 0.00 179.01 176.91 3hqo n SER 301 N -5.54 0.00 -0.68 1.04 3.41 -1.26 -1.42 113.62 109.17 3hqo n SER 301 Ca 0.12 0.49 0.04 0.00 -0.26 0.00 0.00 58.87 59.26 3hqo n SER 301 Cb 0.43 -0.49 0.13 0.00 -0.26 0.00 0.00 64.21 64.01 3hqo n SER 301 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hqo n MET 302 N -1.49 1.91 0.15 4.33 2.81 0.22 -0.95 117.12 124.10 3hqo n MET 302 Ca 0.01 -1.07 0.12 0.00 -1.81 0.00 0.00 57.70 54.95 3hqo n MET 302 Cb 0.03 -1.40 0.16 0.00 -0.71 0.00 0.00 33.22 31.31 3hqo n MET 302 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3hqo h THR 303 N 1.60 0.00 0.00 2.03 2.02 -1.43 -3.37 112.91 113.76 3hqo h THR 303 Ca 0.00 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.32 3hqo h THR 303 Cb 0.59 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3hqo h THR 303 CO 0.06 0.00 -0.63 -1.22 0.37 0.00 0.00 175.52 174.10 3hqo n TYR 304 N -2.74 -0.01 -3.41 3.16 4.02 -1.00 -2.66 117.16 114.51 3hqo n TYR 304 Ca 0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.69 3hqo n TYR 304 Cb 0.51 0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.83 3hqo n TYR 304 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3hqo s ASN 305 N -5.36 6.27 0.00 7.72 -0.87 -0.13 -4.91 114.94 117.66 3hqo s ASN 305 Ca 0.00 0.40 0.23 0.00 -1.57 0.00 0.00 52.86 51.93 3hqo s ASN 305 Cb 0.00 -1.98 0.92 0.00 -0.02 0.00 0.00 41.25 40.17 3hqo s ASN 305 CO 0.00 -0.30 1.65 -0.81 -2.57 0.00 0.00 177.10 175.07 3hqo n PRO 306 N -1.77 1.61 -3.81 -0.60 -0.04 -1.26 -4.24 135.00 124.89 3hqo n PRO 306 Ca -0.05 -0.91 -0.16 0.00 -0.04 0.00 0.00 63.50 62.34 3hqo n PRO 306 Cb 0.56 -1.41 -0.16 0.00 -0.04 0.00 0.00 33.50 32.45 3hqo n PRO 306 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hqo s ARG 307 N -1.88 0.07 0.74 0.54 0.52 -1.26 -4.93 118.95 112.76 3hqo s ARG 307 Ca 0.34 0.16 -0.11 0.00 -0.52 0.00 0.00 55.73 55.61 3hqo s ARG 307 Cb 0.18 -0.35 0.04 0.00 0.52 0.00 0.00 34.95 35.34 3hqo s ARG 307 CO 0.28 -0.17 1.08 -1.25 0.02 0.00 0.00 175.30 175.26 3hqo s PRO 308 N 1.14 2.51 0.76 3.54 0.04 -1.26 -4.80 135.00 136.93 3hqo s PRO 308 Ca -0.08 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 3hqo s PRO 308 Cb -0.13 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.52 3hqo s PRO 308 CO -0.03 -1.41 1.11 0.95 0.04 0.00 0.00 177.00 177.66 3hqo s THR 309 N -2.99 3.09 0.34 1.26 -4.23 -1.26 -4.87 115.64 106.98 3hqo s THR 309 Ca 0.60 0.36 0.30 0.00 -1.18 0.00 0.00 61.69 61.76 3hqo s THR 309 Cb -0.15 -3.26 0.31 0.00 1.34 0.00 0.00 72.50 70.74 3hqo s THR 309 CO 0.55 -0.46 2.04 0.03 -0.54 0.00 0.00 174.62 176.24 3hqo h ARG 310 N -0.88 0.00 -0.05 3.99 2.47 -1.99 -1.01 114.38 116.91 3hqo h ARG 310 Ca -0.46 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.23 3hqo h ARG 310 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 3hqo h ARG 310 CO 0.63 0.11 -0.09 0.00 0.56 0.00 0.00 179.97 181.18 3hqo h ALA 311 N 1.89 0.07 -0.57 0.04 0.00 -1.99 -2.71 119.26 116.00 3hqo h ALA 311 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3hqo h ALA 311 Cb 0.40 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3hqo h ALA 311 CO 0.01 -0.07 0.28 0.93 0.00 0.00 0.00 179.25 180.40 3hqo h GLU 312 N -0.37 0.81 0.49 0.00 5.08 -1.58 -0.24 114.58 118.77 3hqo h GLU 312 Ca 0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3hqo h GLU 312 Cb 0.67 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3hqo h GLU 312 CO 0.02 0.66 -0.47 0.28 -1.00 0.00 0.00 179.01 178.49 3hqo h VAL 313 N 0.77 0.07 -0.96 3.13 2.07 -1.34 -2.54 116.25 117.45 3hqo h VAL 313 Ca 0.20 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.92 3hqo h VAL 313 Cb 0.10 0.07 -0.18 0.00 -1.52 0.00 0.00 31.29 29.76 3hqo h VAL 313 CO -0.03 0.00 -0.20 -1.28 0.02 0.00 0.00 177.57 176.08 3hqo h SER 314 N -0.96 -0.83 0.51 0.57 0.87 -1.04 -1.14 113.55 111.52 3hqo h SER 314 Ca -0.06 0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3hqo h SER 314 Cb 0.84 0.58 -0.02 0.00 -0.44 0.00 0.00 62.40 63.36 3hqo h SER 314 CO -0.05 -0.32 -0.44 -0.78 -0.53 0.00 0.00 176.83 174.71 3hqo h ASP 315 N 0.00 -1.18 -0.27 6.23 3.58 -0.77 0.25 116.42 124.26 3hqo h ASP 315 Ca 0.48 0.09 0.06 0.00 0.42 0.00 0.00 57.03 58.08 3hqo h ASP 315 Cb 0.77 0.38 -0.08 0.00 1.72 0.00 0.00 39.33 42.13 3hqo h ASP 315 CO -0.97 -0.62 -0.29 0.58 -2.88 0.00 0.00 179.24 175.05 3hqo h VAL 316 N -0.94 0.30 0.67 2.25 2.07 -0.82 0.14 116.25 119.92 3hqo h VAL 316 Ca -0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3hqo h VAL 316 Cb 0.81 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3hqo h VAL 316 CO -0.03 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 177.24 3hqo h ALA 317 N 0.68 -0.90 -0.70 1.67 0.00 -1.29 -2.48 119.26 116.23 3hqo h ALA 317 Ca 0.14 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.02 3hqo h ALA 317 Cb 0.51 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3hqo h ALA 317 CO -0.43 -0.99 0.49 -0.91 0.00 0.00 0.00 179.25 177.40 3hqo h ASN 318 N -0.93 0.20 -0.37 0.00 2.35 -0.21 0.10 115.58 116.72 3hqo h ASN 318 Ca -0.09 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 3hqo h ASN 318 Cb 0.70 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 3hqo h ASN 318 CO 0.15 0.10 0.16 0.00 -1.65 0.00 0.00 177.43 176.19 3hqo h ALA 319 N 1.66 0.48 -0.59 -0.83 0.00 -0.44 -0.31 119.26 119.23 3hqo h ALA 319 Ca 0.34 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3hqo h ALA 319 Cb 1.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3hqo h ALA 319 CO -0.07 0.07 0.20 0.28 0.00 0.00 0.00 179.25 179.73 3hqo h VAL 320 N 0.46 1.22 -0.81 0.00 2.07 -0.40 -2.26 116.25 116.52 3hqo h VAL 320 Ca 0.13 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 3hqo h VAL 320 Cb 0.16 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3hqo h VAL 320 CO -0.01 0.29 0.37 -0.26 0.02 0.00 0.00 177.57 177.97 3hqo h PHE 321 N 0.86 1.19 0.00 1.57 0.04 -1.02 -2.80 116.94 116.78 3hqo h PHE 321 Ca 0.20 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 3hqo h PHE 321 Cb 0.23 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 38.01 3hqo h PHE 321 CO 0.02 0.88 -0.01 -0.91 -0.60 0.00 0.00 178.31 177.68 3hqo h ASN 322 N 1.16 0.00 0.00 2.17 -0.26 -0.46 -3.46 115.58 114.73 3hqo h ASN 322 Ca 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 3hqo h ASN 322 Cb 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 3hqo h ASN 322 CO -0.03 0.01 0.00 0.61 -1.06 0.00 0.00 177.43 176.96 3hqo n GLY 323 N -0.92 1.30 3.71 2.83 0.00 -1.06 -4.54 105.19 106.52 3hqo n GLY 323 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3hqo n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqo n ALA 324 N -0.88 1.74 0.10 4.61 0.00 -1.08 -4.91 120.51 120.09 3hqo n ALA 324 Ca 0.00 0.39 -0.22 0.00 0.00 0.00 0.00 53.44 53.60 3hqo n ALA 324 Cb 0.00 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 16.95 3hqo n ALA 324 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hqo h ASP 325 N 4.11 0.71 -4.04 0.00 5.19 -1.71 -3.44 116.42 117.23 3hqo h ASP 325 Ca -0.46 -0.90 -0.48 0.00 -0.62 0.00 0.00 57.03 54.57 3hqo h ASP 325 Cb 1.26 -0.23 -0.30 0.00 0.18 0.00 0.00 39.33 40.24 3hqo h ASP 325 CO 0.74 1.56 -0.81 0.00 -3.12 0.00 0.00 179.24 177.62 3hqo s VAL 327 N -0.13 3.67 -0.05 0.00 -7.23 -0.84 -0.54 120.40 115.29 3hqo s VAL 327 Ca 0.02 -0.48 0.04 0.00 -1.81 0.00 0.00 61.98 59.74 3hqo s VAL 327 Cb -0.07 -2.51 -0.00 0.00 0.56 0.00 0.00 36.38 34.35 3hqo s VAL 327 CO 0.00 0.58 -0.17 -0.32 -0.31 0.00 0.00 175.10 174.88 3hqo s MET 328 N -0.63 1.86 -0.19 4.82 0.00 -0.39 -1.66 119.30 123.11 3hqo s MET 328 Ca 0.10 -0.62 -0.13 0.00 0.00 0.00 0.00 55.69 55.03 3hqo s MET 328 Cb -0.12 -1.60 -0.05 0.00 0.00 0.00 0.00 34.83 33.07 3hqo s MET 328 CO 0.02 0.23 0.28 -0.51 0.00 0.00 0.00 175.02 175.04 3hqo s LEU 329 N 0.09 4.20 0.00 4.11 1.43 0.13 -3.83 118.68 124.80 3hqo s LEU 329 Ca -0.05 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3hqo s LEU 329 Cb -0.12 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.76 3hqo s LEU 329 CO 0.03 0.05 0.00 -1.20 0.23 0.00 0.00 176.35 175.46 3hqo n SER 330 N 3.92 0.00 0.31 2.29 7.64 -1.26 -1.99 113.62 124.53 3hqo n SER 330 Ca -0.12 0.00 0.20 0.00 1.01 0.00 0.00 58.87 59.96 3hqo n SER 330 Cb 0.52 0.00 0.98 0.00 -1.01 0.00 0.00 64.21 64.70 3hqo n SER 330 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hqo h GLY 331 N 0.00 0.00 1.37 0.23 0.00 -1.96 -2.85 103.07 99.85 3hqo h GLY 331 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3hqo h GLY 331 CO 0.00 0.00 0.27 0.83 0.00 0.00 0.00 176.54 177.64 3hqo h GLU 332 N 0.00 0.24 0.00 4.80 3.07 -1.90 -2.50 114.58 118.29 3hqo h GLU 332 Ca -0.00 -0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 58.65 3hqo h GLU 332 Cb 0.23 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.05 3hqo h GLU 332 CO 0.00 0.16 -1.72 0.25 -1.40 0.00 0.00 179.01 176.30 3hqo n THR 333 N -4.47 0.72 -0.14 1.13 -2.24 -1.17 -3.76 114.28 104.34 3hqo n THR 333 Ca 0.05 -0.38 -0.06 0.00 -2.27 0.00 0.00 64.05 61.40 3hqo n THR 333 Cb 0.29 -0.82 0.03 0.00 -2.10 0.00 0.00 70.33 67.73 3hqo n THR 333 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hqo h ALA 334 N 0.30 0.57 0.00 6.98 0.00 -1.26 -3.34 119.26 122.52 3hqo h ALA 334 Ca -0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hqo h ALA 334 Cb 1.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3hqo h ALA 334 CO -0.01 -0.09 0.00 0.36 0.00 0.00 0.00 179.25 179.51 3hqo n LYS 335 N -4.87 1.05 -1.15 0.00 2.85 -0.96 -2.17 118.16 112.91 3hqo n LYS 335 Ca 0.03 -0.83 -0.32 0.00 -1.05 0.00 0.00 58.31 56.14 3hqo n LYS 335 Cb 0.09 -0.70 0.11 0.00 -0.65 0.00 0.00 35.03 33.88 3hqo n LYS 335 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3hqo s GLY 336 N -0.37 1.82 0.16 2.58 0.00 -1.11 -4.90 107.32 105.51 3hqo s GLY 336 Ca 0.00 0.49 0.13 0.00 0.00 0.00 0.00 44.72 45.34 3hqo s GLY 336 CO 0.00 0.87 1.20 0.50 0.00 0.00 0.00 173.10 175.66 3hqo h LYS 337 N -1.13 0.00 -3.02 2.90 1.57 -1.72 -3.41 116.57 111.75 3hqo h LYS 337 Ca -0.44 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.72 3hqo h LYS 337 Cb 1.25 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 33.15 3hqo h LYS 337 CO 0.48 0.57 -0.60 0.66 -0.57 0.00 0.00 179.45 179.99 3hqo n TYR 338 N -3.16 2.99 0.12 -1.35 4.01 -1.26 -4.92 117.16 113.58 3hqo n TYR 338 Ca -0.03 -4.25 0.04 0.00 -0.16 0.00 0.00 57.90 53.51 3hqo n TYR 338 Cb 0.83 -0.57 0.01 0.00 -0.31 0.00 0.00 39.34 39.31 3hqo n TYR 338 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hqo h PRO 339 N 5.38 0.00 0.18 -0.72 0.13 -1.80 -2.49 132.00 132.68 3hqo h PRO 339 Ca 0.16 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.95 3hqo h PRO 339 Cb 0.76 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.90 3hqo h PRO 339 CO 0.70 0.30 -1.69 -0.91 -0.23 0.00 0.00 178.00 176.17 3hqo h ASN 340 N 0.00 0.59 -0.21 1.44 2.35 -1.93 -3.30 115.58 114.52 3hqo h ASN 340 Ca -0.05 -0.93 -0.07 0.00 -0.55 0.00 0.00 56.30 54.71 3hqo h ASN 340 Cb 1.33 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 3hqo h ASN 340 CO 0.04 1.76 -0.08 -0.33 -1.65 0.00 0.00 177.43 177.17 3hqo h GLU 341 N 0.04 0.57 -0.04 0.81 3.07 -1.97 -1.98 114.58 115.08 3hqo h GLU 341 Ca -0.34 -0.15 -0.10 0.00 -0.50 0.00 0.00 59.36 58.27 3hqo h GLU 341 Cb 2.04 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.88 3hqo h GLU 341 CO 0.16 0.65 -0.45 -0.24 -1.40 0.00 0.00 179.01 177.73 3hqo h VAL 342 N 0.53 1.33 0.12 3.13 3.04 -1.59 -2.40 116.25 120.40 3hqo h VAL 342 Ca 0.10 -1.59 -0.24 0.00 -1.01 0.00 0.00 66.70 63.96 3hqo h VAL 342 Cb 0.46 1.81 0.02 0.00 -2.01 0.00 0.00 31.29 31.57 3hqo h VAL 342 CO 0.02 0.46 -1.01 0.58 -1.01 0.00 0.00 177.57 176.62 3hqo h VAL 343 N 0.08 1.38 -0.15 1.51 2.07 -1.57 -3.01 116.25 116.55 3hqo h VAL 343 Ca 0.00 -2.43 0.03 0.00 0.82 0.00 0.00 66.70 65.12 3hqo h VAL 343 Cb 0.83 2.87 -0.03 0.00 -1.52 0.00 0.00 31.29 33.44 3hqo h VAL 343 CO 0.06 0.72 -0.03 1.56 0.02 0.00 0.00 177.57 179.90 3hqo h GLN 344 N -0.01 0.01 -0.68 1.57 4.20 -1.35 -0.45 115.11 118.40 3hqo h GLN 344 Ca -0.16 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.58 3hqo h GLN 344 Cb 1.74 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.48 3hqo h GLN 344 CO 0.19 0.01 0.45 1.88 -0.67 0.00 0.00 178.83 180.69 3hqo h TYR 345 N 0.01 0.79 -0.20 2.96 0.05 -1.53 -0.18 116.97 118.87 3hqo h TYR 345 Ca 0.07 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.76 3hqo h TYR 345 Cb 0.10 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.58 3hqo h TYR 345 CO -0.18 0.46 -0.30 1.98 -1.05 0.00 0.00 178.16 179.07 3hqo h MET 346 N 0.82 0.56 -0.95 4.88 4.05 -1.31 -0.56 114.93 122.42 3hqo h MET 346 Ca 0.27 -0.33 0.03 0.00 -0.28 0.00 0.00 59.70 59.39 3hqo h MET 346 Cb 0.07 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.84 3hqo h MET 346 CO -0.08 0.94 0.62 0.00 0.23 0.00 0.00 176.91 178.62 3hqo h ALA 347 N 0.61 1.26 -0.23 0.39 0.00 -0.65 -0.19 119.26 120.46 3hqo h ALA 347 Ca 0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3hqo h ALA 347 Cb 0.89 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3hqo h ALA 347 CO 0.07 0.50 -0.28 -0.09 0.00 0.00 0.00 179.25 179.46 3hqo h ARG 348 N 1.21 0.59 -0.43 0.00 2.43 -0.99 -1.61 114.38 115.58 3hqo h ARG 348 Ca 0.38 -0.33 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3hqo h ARG 348 Cb -0.00 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3hqo h ARG 348 CO -0.12 0.93 0.08 0.82 -1.51 0.00 0.00 179.97 180.17 3hqo h ILE 349 N 0.29 1.20 -0.22 1.20 2.04 -0.96 -2.28 117.51 118.79 3hqo h ILE 349 Ca 0.03 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 3hqo h ILE 349 Cb 0.85 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3hqo h ILE 349 CO 0.07 0.27 0.07 0.00 0.00 0.00 0.00 178.15 178.55 3hqo h LEU 351 N 0.18 -0.30 -0.19 0.00 3.38 -1.17 -0.95 115.31 116.26 3hqo h LEU 351 Ca 0.07 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3hqo h LEU 351 Cb 0.23 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3hqo h LEU 351 CO -0.00 -0.13 0.05 -0.08 0.09 0.00 0.00 178.44 178.37 3hqo h GLU 352 N -0.11 0.13 -0.53 1.13 4.57 -1.33 0.21 114.58 118.65 3hqo h GLU 352 Ca 0.07 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3hqo h GLU 352 Cb 0.22 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 3hqo h GLU 352 CO -0.17 0.08 0.34 0.00 -1.18 0.00 0.00 179.01 178.08 3hqo h ALA 353 N 1.13 0.67 -0.34 2.92 0.00 -1.21 -2.21 119.26 120.22 3hqo h ALA 353 Ca 0.09 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3hqo h ALA 353 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hqo h ALA 353 CO -0.11 0.08 -0.15 0.37 0.00 0.00 0.00 179.25 179.44 3hqo h GLN 354 N 0.68 0.60 -0.13 0.00 4.15 -0.50 -2.82 115.11 117.09 3hqo h GLN 354 Ca 0.20 -0.19 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 3hqo h GLN 354 Cb -0.04 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3hqo h GLN 354 CO -0.06 0.73 -0.71 0.77 -1.93 0.00 0.00 178.83 177.63 3hqo h SER 355 N 0.54 0.69 -0.33 -0.69 0.02 -0.48 -3.09 113.55 110.21 3hqo h SER 355 Ca 0.09 -0.43 -0.11 0.00 -0.84 0.00 0.00 61.79 60.50 3hqo h SER 355 Cb 0.57 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.84 3hqo h SER 355 CO 0.04 1.19 0.14 0.00 -1.14 0.00 0.00 176.83 177.06 3hqo n ALA 356 N -2.55 3.45 -2.53 3.77 0.00 -0.85 -4.85 120.51 116.95 3hqo n ALA 356 Ca -0.05 -1.01 -0.29 0.00 0.00 0.00 0.00 53.44 52.09 3hqo n ALA 356 Cb 0.70 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.92 3hqo n ALA 356 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hqo s LEU 357 N -1.27 2.84 -0.59 0.00 2.96 -1.08 -5.02 118.68 116.53 3hqo s LEU 357 Ca 0.23 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.52 3hqo s LEU 357 Cb 0.19 -1.64 0.15 0.00 0.50 0.00 0.00 46.19 45.39 3hqo s LEU 357 CO 0.06 0.16 0.48 0.21 -1.32 0.00 0.00 176.35 175.94 3hqo s ASN 358 N -2.30 5.95 0.43 3.68 2.47 -1.26 -4.93 114.94 118.96 3hqo s ASN 358 Ca 0.20 -2.24 0.14 0.00 0.42 0.00 0.00 52.86 51.38 3hqo s ASN 358 Cb -0.10 -2.06 0.92 0.00 -1.45 0.00 0.00 41.25 38.56 3hqo s ASN 358 CO 0.12 -0.64 1.95 -0.33 -3.72 0.00 0.00 177.10 174.48 3hqo h GLU 359 N 8.12 0.01 -0.87 0.43 3.07 -1.92 -2.68 114.58 120.75 3hqo h GLU 359 Ca -0.12 -0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.86 3hqo h GLU 359 Cb 1.05 -0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.89 3hqo h GLU 359 CO 0.84 0.24 0.56 -0.92 -1.40 0.00 0.00 179.01 178.33 3hqo h TYR 360 N 0.01 0.83 -0.12 4.33 3.20 -1.92 -0.94 116.97 122.37 3hqo h TYR 360 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3hqo h TYR 360 Cb 0.40 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 3hqo h TYR 360 CO 0.00 0.34 0.01 0.28 -1.64 0.00 0.00 178.16 177.15 3hqo h VAL 361 N 0.74 1.23 -0.95 1.81 2.07 -1.87 -2.65 116.25 116.62 3hqo h VAL 361 Ca 0.42 -0.72 0.12 0.00 0.82 0.00 0.00 66.70 67.33 3hqo h VAL 361 Cb 0.60 1.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 3hqo h VAL 361 CO -0.18 0.21 0.60 0.15 0.02 0.00 0.00 177.57 178.37 3hqo h PHE 362 N -0.05 1.02 0.22 1.57 3.57 -1.37 -0.06 116.94 121.84 3hqo h PHE 362 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3hqo h PHE 362 Cb 0.31 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3hqo h PHE 362 CO 0.02 0.42 -0.10 0.35 -2.23 0.00 0.00 178.31 176.77 3hqo h PHE 363 N 0.90 -0.27 -0.48 0.41 3.57 -1.06 -2.17 116.94 117.85 3hqo h PHE 363 Ca 0.46 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.91 3hqo h PHE 363 Cb 0.51 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 3hqo h PHE 363 CO -0.00 -0.01 0.15 -0.91 -2.23 0.00 0.00 178.31 175.30 3hqo h ASN 364 N -0.50 0.71 -0.26 0.41 2.35 -1.10 -1.94 115.58 115.24 3hqo h ASN 364 Ca -0.03 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.54 3hqo h ASN 364 Cb 0.38 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3hqo h ASN 364 CO 0.05 0.73 0.09 0.28 -1.65 0.00 0.00 177.43 176.92 3hqo h SER 365 N 0.65 0.09 -0.12 5.81 0.02 -1.02 -0.13 113.55 118.84 3hqo h SER 365 Ca 0.15 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3hqo h SER 365 Cb 0.28 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3hqo h SER 365 CO -0.00 0.08 0.05 0.40 -1.14 0.00 0.00 176.83 176.22 3hqo h ILE 366 N 0.20 1.14 -0.80 3.27 2.04 -1.38 -2.94 117.51 119.05 3hqo h ILE 366 Ca 0.12 -0.41 0.09 0.00 1.00 0.00 0.00 64.86 65.65 3hqo h ILE 366 Cb 0.09 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 3hqo h ILE 366 CO -0.12 0.13 0.46 0.50 0.00 0.00 0.00 178.15 179.11 3hqo h LYS 367 N 0.04 0.75 -0.95 2.37 3.64 -1.14 -2.07 116.57 119.21 3hqo h LYS 367 Ca 0.04 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.47 3hqo h LYS 367 Cb 0.15 -0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 31.73 3hqo h LYS 367 CO -0.00 0.50 0.59 0.87 -2.27 0.00 0.00 179.45 179.14 3hqo h LYS 368 N 0.78 0.97 -0.90 1.90 6.56 -0.85 -2.69 116.57 122.33 3hqo h LYS 368 Ca 0.38 -0.06 -0.13 0.00 -1.06 0.00 0.00 60.65 59.78 3hqo h LYS 368 Cb 0.33 -0.22 -0.08 0.00 -0.57 0.00 0.00 32.23 31.69 3hqo h LYS 368 CO -0.24 0.64 0.17 1.28 -2.06 0.00 0.00 179.45 179.24 3hqo n LEU 369 N -4.62 4.11 -4.76 2.94 4.77 -0.78 -4.85 117.00 113.82 3hqo n LEU 369 Ca 0.16 -2.12 -0.36 0.00 -0.03 0.00 0.00 56.01 53.66 3hqo n LEU 369 Cb 0.28 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.66 3hqo n LEU 369 CO 0.29 0.61 -0.23 -1.10 -1.33 0.00 0.00 177.39 175.63 3hqo s GLN 370 N -1.73 3.44 -0.26 3.23 -1.52 -1.02 -5.05 119.66 116.75 3hqo s GLN 370 Ca 0.27 -0.26 -0.29 0.00 -1.95 0.00 0.00 55.36 53.13 3hqo s GLN 370 Cb 0.22 -3.08 -0.02 0.00 -0.22 0.00 0.00 33.01 29.91 3hqo s GLN 370 CO 0.07 0.63 1.59 -1.58 -0.25 0.00 0.00 175.29 175.74 3hqo s HIS 371 N -0.64 2.16 -0.08 0.91 5.65 -1.26 -4.98 115.29 117.05 3hqo s HIS 371 Ca 0.12 0.60 -0.27 0.00 0.25 0.00 0.00 55.06 55.76 3hqo s HIS 371 Cb -0.12 -4.03 -0.02 0.00 -1.18 0.00 0.00 32.58 27.23 3hqo s HIS 371 CO 0.02 -2.71 0.88 0.42 -0.65 0.00 0.00 174.74 172.71 3hqo s ILE 372 N 5.36 4.90 0.01 0.89 -1.09 -1.26 -2.85 121.20 127.17 3hqo s ILE 372 Ca 0.70 1.80 -0.25 0.00 -2.23 0.00 0.00 60.65 60.67 3hqo s ILE 372 Cb -0.22 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.40 3hqo s ILE 372 CO 0.29 0.12 0.76 -2.16 -1.23 0.00 0.00 174.94 172.72 3hqo s PRO 373 N 1.42 4.48 0.95 2.79 0.05 -1.26 -5.18 135.00 138.25 3hqo s PRO 373 Ca 0.44 1.03 -0.12 0.00 0.05 0.00 0.00 61.00 62.41 3hqo s PRO 373 Cb -0.19 -3.39 0.16 0.00 0.05 0.00 0.00 34.50 31.13 3hqo s PRO 373 CO 0.20 0.21 1.09 -1.64 0.05 0.00 0.00 177.00 176.90 3hqo s MET 374 N 0.24 0.83 0.81 4.56 -1.94 -1.13 -5.04 119.30 117.63 3hqo s MET 374 Ca 0.39 0.93 -0.11 0.00 -1.71 0.00 0.00 55.69 55.19 3hqo s MET 374 Cb -0.20 -1.75 0.08 0.00 2.01 0.00 0.00 34.83 34.97 3hqo s MET 374 CO 0.22 -2.57 1.09 -1.54 -0.01 0.00 0.00 175.02 172.21 3hqo s SER 375 N -3.15 4.25 0.13 3.03 1.04 -1.26 -4.89 113.70 112.85 3hqo s SER 375 Ca 0.65 1.58 -0.30 0.00 0.48 0.00 0.00 55.95 58.35 3hqo s SER 375 Cb -0.20 -2.30 -0.07 0.00 0.10 0.00 0.00 66.02 63.55 3hqo s SER 375 CO 0.58 -2.16 1.58 0.00 0.98 0.00 0.00 173.24 174.22 3hqo h ALA 376 N -1.22 -0.65 0.00 5.32 0.00 -1.99 -2.61 119.26 118.12 3hqo h ALA 376 Ca -0.46 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 3hqo h ALA 376 Cb 1.25 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 3hqo h ALA 376 CO 0.55 -0.96 -0.51 0.38 0.00 0.00 0.00 179.25 178.71 3hqo h ASP 377 N -0.51 0.00 -0.29 0.00 2.03 -1.94 -3.07 116.42 112.65 3hqo h ASP 377 Ca 0.07 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.23 3hqo h ASP 377 Cb 0.64 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.14 3hqo h ASP 377 CO -0.41 0.51 -0.38 -0.08 -1.03 0.00 0.00 179.24 177.85 3hqo h GLU 378 N 0.00 0.77 -0.57 4.15 4.81 -1.86 -2.74 114.58 119.14 3hqo h GLU 378 Ca -0.01 -0.44 0.05 0.00 -0.13 0.00 0.00 59.36 58.84 3hqo h GLU 378 Cb 1.14 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 3hqo h GLU 378 CO 0.07 1.07 0.29 0.00 -0.73 0.00 0.00 179.01 179.70 3hqo h ALA 379 N 0.69 0.74 -0.42 2.92 0.00 -1.46 -0.52 119.26 121.22 3hqo h ALA 379 Ca 0.04 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3hqo h ALA 379 Cb 0.97 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 3hqo h ALA 379 CO 0.09 -0.06 0.01 0.28 0.00 0.00 0.00 179.25 179.57 3hqo h VAL 380 N 0.55 0.69 -0.08 0.00 2.07 -1.43 0.23 116.25 118.28 3hqo h VAL 380 Ca 0.26 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 3hqo h VAL 380 Cb 0.18 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3hqo h VAL 380 CO -0.18 0.02 0.01 0.00 0.02 0.00 0.00 177.57 177.44 3hqo h SER 382 N -0.10 -0.04 -0.89 0.00 0.87 -0.59 -0.86 113.55 111.93 3hqo h SER 382 Ca 0.03 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 60.72 3hqo h SER 382 Cb 0.28 0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 62.16 3hqo h SER 382 CO 0.00 -0.01 0.51 0.28 -0.53 0.00 0.00 176.83 177.08 3hqo h SER 383 N -0.01 0.69 0.34 6.23 0.02 -0.58 0.54 113.55 120.78 3hqo h SER 383 Ca 0.00 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3hqo h SER 383 Cb 0.01 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 3hqo h SER 383 CO -0.01 0.34 -0.06 0.00 -1.14 0.00 0.00 176.83 175.95 3hqo h ALA 384 N 1.53 1.21 0.13 3.77 0.00 -0.62 0.31 119.26 125.59 3hqo h ALA 384 Ca 0.46 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 55.00 3hqo h ALA 384 Cb 0.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hqo h ALA 384 CO -0.31 0.08 -1.60 0.28 0.00 0.00 0.00 179.25 177.70 3hqo h VAL 385 N 0.00 1.09 -0.82 0.00 2.07 0.50 -3.08 116.25 116.00 3hqo h VAL 385 Ca -0.00 -2.72 0.10 0.00 0.82 0.00 0.00 66.70 64.90 3hqo h VAL 385 Cb 0.25 2.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.71 3hqo h VAL 385 CO 0.01 0.82 0.53 -1.13 0.02 0.00 0.00 177.57 177.82 3hqo h ASN 386 N 0.08 0.68 -0.67 0.57 -0.00 -0.10 -1.37 115.58 114.77 3hqo h ASN 386 Ca -0.27 0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.04 3hqo h ASN 386 Cb 2.04 -0.12 -0.03 0.00 -0.00 0.00 0.00 38.32 40.21 3hqo h ASN 386 CO 0.16 0.40 0.39 0.28 -0.00 0.00 0.00 177.43 178.66 3hqo h SER 387 N 0.75 0.81 -0.91 1.15 0.02 -0.47 -2.90 113.55 112.00 3hqo h SER 387 Ca 0.38 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.26 3hqo h SER 387 Cb 0.47 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 3hqo h SER 387 CO -0.15 0.65 0.59 0.58 -1.14 0.00 0.00 176.83 177.36 3hqo h VAL 388 N 0.91 1.24 -0.32 2.27 2.07 -1.17 -1.83 116.25 119.42 3hqo h VAL 388 Ca 0.24 -0.45 -0.16 0.00 0.82 0.00 0.00 66.70 67.15 3hqo h VAL 388 Cb -0.00 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.66 3hqo h VAL 388 CO -0.04 0.23 -0.43 1.88 0.02 0.00 0.00 177.57 179.24 3hqo h TYR 389 N 1.24 0.97 0.00 1.57 0.05 -1.33 -1.52 116.97 117.95 3hqo h TYR 389 Ca 0.33 -0.30 -0.12 0.00 0.05 0.00 0.00 58.73 58.69 3hqo h TYR 389 Cb -0.12 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.40 3hqo h TYR 389 CO -0.01 1.08 -0.59 0.93 -1.05 0.00 0.00 178.16 178.53 3hqo h GLU 390 N 0.65 0.00 -0.02 4.88 5.08 -1.36 -3.29 114.58 120.51 3hqo h GLU 390 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hqo h GLU 390 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3hqo h GLU 390 CO 0.10 0.59 -0.39 -2.37 -1.00 0.00 0.00 179.01 175.94 3hqo n THR 391 N -3.56 0.00 -3.93 1.13 5.66 -0.70 -4.98 114.28 107.90 3hqo n THR 391 Ca -0.00 -0.31 -0.31 0.00 -3.05 0.00 0.00 64.05 60.38 3hqo n THR 391 Cb 0.65 1.29 -0.00 0.00 -1.55 0.00 0.00 70.33 70.72 3hqo n THR 391 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3hqo n LYS 392 N 0.18 -4.11 -1.75 1.09 5.02 -0.60 -4.89 118.16 113.10 3hqo n LYS 392 Ca 0.10 0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 56.45 3hqo n LYS 392 Cb 0.47 -5.28 -0.02 0.00 -0.02 0.00 0.00 35.03 30.19 3hqo n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqo n ALA 393 N -4.32 2.65 1.27 7.82 0.00 -1.04 -4.80 120.51 122.10 3hqo n ALA 393 Ca 0.05 0.37 0.13 0.00 0.00 0.00 0.00 53.44 53.99 3hqo n ALA 393 Cb 0.51 -2.48 0.37 0.00 0.00 0.00 0.00 19.45 17.86 3hqo n ALA 393 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hqo n LYS 394 N 2.36 1.07 -3.58 0.00 5.02 -0.95 -4.68 118.16 117.39 3hqo n LYS 394 Ca 0.09 -0.66 -0.10 0.00 -2.02 0.00 0.00 58.31 55.63 3hqo n LYS 394 Cb 0.37 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 3hqo n LYS 394 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqo s ALA 395 N -2.39 -1.52 0.01 7.82 0.00 -1.24 -4.23 121.76 120.21 3hqo s ALA 395 Ca 0.27 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.54 3hqo s ALA 395 Cb 0.20 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 24.11 3hqo s ALA 395 CO 0.48 -0.86 -0.06 1.41 0.00 0.00 0.00 175.76 176.73 3hqo s MET 396 N -3.69 0.45 -0.14 0.00 1.75 -0.72 -2.74 119.30 114.20 3hqo s MET 396 Ca 0.05 -0.41 0.01 0.00 -1.25 0.00 0.00 55.69 54.09 3hqo s MET 396 Cb -0.02 -0.34 0.02 0.00 2.84 0.00 0.00 34.83 37.32 3hqo s MET 396 CO -0.06 0.08 -0.16 0.08 -0.65 0.00 0.00 175.02 174.31 3hqo s VAL 397 N -0.64 1.67 -0.03 10.11 1.01 0.12 -0.03 120.40 132.61 3hqo s VAL 397 Ca -0.03 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.30 3hqo s VAL 397 Cb -0.05 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 3hqo s VAL 397 CO 0.00 0.47 -0.22 0.54 0.00 0.00 0.00 175.10 175.90 3hqo s VAL 398 N 1.24 1.75 -0.47 2.92 0.11 -0.07 -0.79 120.40 125.09 3hqo s VAL 398 Ca 0.00 -0.93 -0.12 0.00 -2.93 0.00 0.00 61.98 58.00 3hqo s VAL 398 Cb -0.14 -1.46 0.10 0.00 -1.53 0.00 0.00 36.38 33.35 3hqo s VAL 398 CO -0.07 0.49 0.37 -0.76 -3.33 0.00 0.00 175.10 171.80 3hqo s LEU 399 N -0.36 5.63 -0.07 2.54 1.43 -0.94 -0.58 118.68 126.34 3hqo s LEU 399 Ca 0.04 -1.63 -0.00 0.00 -1.03 0.00 0.00 54.13 51.51 3hqo s LEU 399 Cb -0.10 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.06 3hqo s LEU 399 CO 0.01 -0.67 -0.03 -0.55 0.23 0.00 0.00 176.35 175.33 3hqo s SER 400 N 2.70 1.56 -0.15 2.29 0.15 -1.18 -4.79 113.70 114.28 3hqo s SER 400 Ca 0.04 -0.15 -0.24 0.00 0.70 0.00 0.00 55.95 56.30 3hqo s SER 400 Cb -0.26 -0.54 -0.22 0.00 -1.71 0.00 0.00 66.02 63.30 3hqo s SER 400 CO 0.03 -0.14 0.57 0.78 1.20 0.00 0.00 173.24 175.68 3hqo h ASN 401 N 7.98 0.00 -0.43 5.45 2.35 -1.97 -3.37 115.58 125.59 3hqo h ASN 401 Ca -0.27 -0.79 -0.08 0.00 -0.55 0.00 0.00 56.30 54.61 3hqo h ASN 401 Cb 1.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.48 3hqo h ASN 401 CO 0.35 1.04 -0.03 0.71 -1.65 0.00 0.00 177.43 177.86 3hqo h THR 402 N -1.00 1.25 0.00 2.81 1.35 -1.97 -3.43 112.91 111.92 3hqo h THR 402 Ca -0.07 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 3hqo h THR 402 Cb 0.96 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3hqo h THR 402 CO -0.04 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 3hqo n GLY 403 N -0.54 2.19 0.34 5.82 0.00 -1.26 -4.87 105.19 106.87 3hqo n GLY 403 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3hqo n GLY 403 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hqo h ARG 404 N 0.76 -0.46 -0.94 1.61 3.08 -1.92 -2.46 114.38 114.06 3hqo h ARG 404 Ca 0.00 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.16 3hqo h ARG 404 Cb 0.00 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 3hqo h ARG 404 CO 0.00 -0.30 0.61 0.77 -1.07 0.00 0.00 179.97 179.97 3hqo h SER 405 N -0.47 0.93 0.17 7.04 0.02 -1.95 0.71 113.55 120.00 3hqo h SER 405 Ca 0.06 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3hqo h SER 405 Cb 0.56 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3hqo h SER 405 CO -0.28 0.58 -0.08 0.00 -1.14 0.00 0.00 176.83 175.91 3hqo h ALA 406 N 1.51 -0.22 -0.04 3.77 0.00 -1.84 -1.77 119.26 120.66 3hqo h ALA 406 Ca 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3hqo h ALA 406 Cb 0.25 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hqo h ALA 406 CO -0.17 -0.60 0.03 0.00 0.00 0.00 0.00 179.25 178.51 3hqo h ARG 407 N -0.27 0.06 -0.62 0.00 3.08 -0.96 -1.84 114.38 113.82 3hqo h ARG 407 Ca -0.02 -0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.20 3hqo h ARG 407 Cb 0.21 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3hqo h ARG 407 CO 0.04 0.06 0.47 1.25 -1.07 0.00 0.00 179.97 180.72 3hqo h LEU 408 N 0.04 0.00 0.07 3.04 5.85 -0.74 0.21 115.31 123.78 3hqo h LEU 408 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3hqo h LEU 408 Cb 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3hqo h LEU 408 CO -0.00 0.00 -0.03 0.58 -0.34 0.00 0.00 178.44 178.64 3hqo h VAL 409 N 0.00 1.11 -0.12 1.05 2.07 -0.94 -3.27 116.25 116.15 3hqo h VAL 409 Ca 0.30 -1.50 0.04 0.00 0.82 0.00 0.00 66.70 66.35 3hqo h VAL 409 Cb 1.23 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.96 3hqo h VAL 409 CO -0.00 0.33 0.34 0.00 0.02 0.00 0.00 177.57 178.25 3hqo h ALA 410 N -0.20 1.56 -0.67 1.67 0.00 -0.15 0.70 119.26 122.16 3hqo h ALA 410 Ca -0.01 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3hqo h ALA 410 Cb 0.61 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3hqo h ALA 410 CO 0.02 -0.40 0.44 -0.22 0.00 0.00 0.00 179.25 179.09 3hqo h LYS 411 N 0.00 0.70 -0.63 0.00 3.64 -0.73 -2.68 116.57 116.86 3hqo h LYS 411 Ca 0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3hqo h LYS 411 Cb 0.73 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3hqo h LYS 411 CO -0.00 0.46 0.00 0.66 -2.27 0.00 0.00 179.45 178.30 3hqo n TYR 412 N -4.47 1.12 -3.56 1.91 4.01 0.24 -4.99 117.16 111.41 3hqo n TYR 412 Ca 0.09 -0.48 -0.18 0.00 -0.16 0.00 0.00 57.90 57.17 3hqo n TYR 412 Cb 0.20 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 3hqo n TYR 412 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3hqo n ARG 413 N 1.10 -1.52 -1.47 -0.72 5.12 -1.01 -4.38 116.66 113.78 3hqo n ARG 413 Ca 0.22 1.02 -0.30 0.00 -1.93 0.00 0.00 57.85 56.86 3hqo n ARG 413 Cb 0.69 -3.30 0.10 0.00 -1.16 0.00 0.00 32.46 28.79 3hqo n ARG 413 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3hqo s PRO 414 N -4.24 1.88 -0.11 5.56 0.04 -1.26 -4.54 135.00 132.33 3hqo s PRO 414 Ca 0.02 0.68 0.13 0.00 0.04 0.00 0.00 61.00 61.87 3hqo s PRO 414 Cb -0.00 -1.89 0.56 0.00 0.04 0.00 0.00 34.50 33.20 3hqo s PRO 414 CO 0.85 -1.77 1.41 0.27 0.04 0.00 0.00 177.00 177.80 3hqo n ASN 415 N -3.54 3.86 -4.30 6.66 6.94 -1.26 -4.91 115.26 118.71 3hqo n ASN 415 Ca 0.07 -2.41 -0.16 0.00 -0.02 0.00 0.00 54.58 52.06 3hqo n ASN 415 Cb 0.56 -0.53 -0.10 0.00 -2.36 0.00 0.00 39.78 37.35 3hqo n ASN 415 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hqo s PRO 417 N -3.84 4.06 -0.41 0.00 0.02 -1.26 -4.86 135.00 128.71 3hqo s PRO 417 Ca 0.25 2.18 -0.13 0.00 0.02 0.00 0.00 61.00 63.31 3hqo s PRO 417 Cb 0.05 -2.83 0.04 0.00 0.02 0.00 0.00 34.50 31.77 3hqo s PRO 417 CO 0.06 -0.42 0.28 0.42 -0.33 0.00 0.00 177.00 177.01 3hqo s ILE 418 N -1.23 4.91 -0.22 2.83 1.01 -0.96 -1.76 121.20 125.77 3hqo s ILE 418 Ca 0.55 -0.86 -0.23 0.00 0.00 0.00 0.00 60.65 60.11 3hqo s ILE 418 Cb -0.39 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 3hqo s ILE 418 CO 0.50 -0.34 0.74 -0.69 0.00 0.00 0.00 174.94 175.15 3hqo s VAL 419 N 1.60 4.92 -0.25 2.92 1.01 0.96 -0.19 120.40 131.38 3hqo s VAL 419 Ca 0.03 1.40 -0.04 0.00 0.00 0.00 0.00 61.98 63.37 3hqo s VAL 419 Cb -0.20 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3hqo s VAL 419 CO 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 175.10 175.17 3hqo s VAL 421 N 1.45 5.15 0.03 0.00 1.01 0.26 -0.42 120.40 127.88 3hqo s VAL 421 Ca 0.04 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.08 3hqo s VAL 421 Cb -0.16 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 3hqo s VAL 421 CO -0.02 -0.13 -0.12 0.28 0.00 0.00 0.00 175.10 175.11 3hqo s THR 422 N 2.05 0.91 -0.18 3.92 -1.32 -0.91 -3.08 115.64 117.03 3hqo s THR 422 Ca 0.12 -0.86 0.16 0.00 -1.21 0.00 0.00 61.69 59.90 3hqo s THR 422 Cb -0.17 -0.84 0.08 0.00 -1.51 0.00 0.00 72.50 70.07 3hqo s THR 422 CO 0.12 -0.01 1.44 0.71 -2.21 0.00 0.00 174.62 174.67 3hqo h THR 423 N 4.61 0.79 -3.64 5.08 1.35 -1.84 -0.59 112.91 118.67 3hqo h THR 423 Ca -0.36 -2.12 -0.62 0.00 -0.55 0.00 0.00 66.41 62.76 3hqo h THR 423 Cb 1.18 2.38 -0.14 0.00 -1.73 0.00 0.00 68.15 69.85 3hqo h THR 423 CO 0.45 0.45 -0.33 -0.13 -0.25 0.00 0.00 175.52 175.71 3hqo s ARG 424 N -2.98 4.07 0.37 4.72 0.52 -1.26 -4.43 118.95 119.96 3hqo s ARG 424 Ca 0.04 -0.04 0.10 0.00 -0.52 0.00 0.00 55.73 55.31 3hqo s ARG 424 Cb 0.07 -3.59 0.73 0.00 0.52 0.00 0.00 34.95 32.68 3hqo s ARG 424 CO 0.74 -0.11 1.86 1.25 0.02 0.00 0.00 175.30 179.07 3hqo h LEU 425 N 8.01 0.16 -0.71 2.53 5.85 -1.95 -2.86 115.31 126.33 3hqo h LEU 425 Ca -0.35 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3hqo h LEU 425 Cb 1.17 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3hqo h LEU 425 CO 0.66 0.41 0.45 -0.61 -0.34 0.00 0.00 178.44 179.01 3hqo h GLN 426 N 0.15 0.95 -0.24 1.25 4.15 -1.97 -2.66 115.11 116.74 3hqo h GLN 426 Ca 0.03 -0.07 0.07 0.00 0.77 0.00 0.00 58.65 59.44 3hqo h GLN 426 Cb 0.51 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3hqo h GLN 426 CO 0.04 0.65 0.18 1.15 -1.93 0.00 0.00 178.83 178.92 3hqo h THR 427 N 0.97 0.85 -0.51 2.39 2.02 -1.80 -0.36 112.91 116.47 3hqo h THR 427 Ca 0.26 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.36 3hqo h THR 427 Cb -0.07 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3hqo h THR 427 CO -0.05 0.00 0.02 0.00 0.37 0.00 0.00 175.52 175.86 3hqo h ARG 429 N 0.77 0.33 0.00 0.00 3.08 -1.31 -3.16 114.38 114.09 3hqo h ARG 429 Ca 0.15 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3hqo h ARG 429 Cb 0.49 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3hqo h ARG 429 CO 0.02 0.81 0.00 1.04 -1.07 0.00 0.00 179.97 180.78 3hqo n GLN 430 N -4.51 0.16 0.00 0.04 6.02 -0.25 -0.79 117.38 118.05 3hqo n GLN 430 Ca -0.07 0.54 0.13 0.00 -0.01 0.00 0.00 57.00 57.59 3hqo n GLN 430 Cb 0.42 -1.91 0.36 0.00 1.02 0.00 0.00 30.24 30.13 3hqo n GLN 430 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hqo n LEU 431 N -2.23 1.56 0.00 1.08 4.77 -0.59 -4.14 117.00 117.45 3hqo n LEU 431 Ca 0.00 -0.50 0.03 0.00 -0.03 0.00 0.00 56.01 55.51 3hqo n LEU 431 Cb 0.12 -0.05 0.17 0.00 -2.33 0.00 0.00 43.42 41.33 3hqo n LEU 431 CO 0.14 0.27 0.47 0.59 -1.33 0.00 0.00 177.39 177.53 3hqo n ASN 432 N -0.02 0.00 -0.02 -1.43 4.13 0.03 -2.67 115.26 115.28 3hqo n ASN 432 Ca 0.15 -1.18 0.00 0.00 1.68 0.00 0.00 54.58 55.23 3hqo n ASN 432 Cb 0.40 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.64 3hqo n ASN 432 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3hqo n ILE 433 N -0.63 0.00 -3.86 2.41 -5.35 -1.26 -4.68 119.36 105.99 3hqo n ILE 433 Ca 0.04 -0.49 -0.35 0.00 -0.27 0.00 0.00 62.75 61.68 3hqo n ILE 433 Cb 0.02 1.01 -0.08 0.00 -1.74 0.00 0.00 39.64 38.85 3hqo n ILE 433 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3hqo s THR 434 N -0.54 5.17 0.48 7.28 2.01 -1.09 -4.52 115.64 124.44 3hqo s THR 434 Ca 0.01 0.10 -0.24 0.00 0.31 0.00 0.00 61.69 61.87 3hqo s THR 434 Cb 0.01 -3.34 -0.07 0.00 0.01 0.00 0.00 72.50 69.11 3hqo s THR 434 CO 0.02 0.47 1.37 -1.58 -0.69 0.00 0.00 174.62 174.21 3hqo s GLN 435 N 0.22 3.51 -1.36 4.92 -0.44 -1.26 -3.91 119.66 121.34 3hqo s GLN 435 Ca 0.07 2.28 -0.05 0.00 -2.50 0.00 0.00 55.36 55.16 3hqo s GLN 435 Cb -0.12 -2.50 0.01 0.00 -1.64 0.00 0.00 33.01 28.76 3hqo s GLN 435 CO -0.01 -0.91 0.64 0.41 0.50 0.00 0.00 175.29 175.93 3hqo n GLY 436 N 0.64 -0.39 3.12 2.59 0.00 0.37 -4.88 105.19 106.64 3hqo n GLY 436 Ca 0.07 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3hqo n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hqo s VAL 437 N -3.15 1.19 -0.03 1.61 1.01 -1.25 -2.28 120.40 117.51 3hqo s VAL 437 Ca 0.32 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3hqo s VAL 437 Cb -0.14 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 3hqo s VAL 437 CO 0.39 0.34 -0.19 -1.61 0.00 0.00 0.00 175.10 174.04 3hqo s GLU 438 N -0.26 1.73 -0.11 2.72 2.02 0.73 -4.94 118.70 120.59 3hqo s GLU 438 Ca 0.04 -0.66 -0.03 0.00 0.02 0.00 0.00 54.97 54.34 3hqo s GLU 438 Cb -0.07 -1.57 -0.03 0.00 0.10 0.00 0.00 34.13 32.56 3hqo s GLU 438 CO -0.00 0.33 0.01 -1.12 0.02 0.00 0.00 175.26 174.49 3hqo s SER 439 N -0.19 5.27 -0.15 -0.19 0.01 -1.26 -0.05 113.70 117.13 3hqo s SER 439 Ca 0.01 0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.39 3hqo s SER 439 Cb -0.10 -1.61 0.02 0.00 0.21 0.00 0.00 66.02 64.55 3hqo s SER 439 CO 0.01 0.32 -0.16 -0.69 0.41 0.00 0.00 173.24 173.14 3hqo s VAL 440 N -0.55 1.69 -0.30 3.43 1.01 0.44 -4.92 120.40 121.21 3hqo s VAL 440 Ca 0.09 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 3hqo s VAL 440 Cb -0.12 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.70 3hqo s VAL 440 CO 0.02 0.48 1.12 0.12 0.00 0.00 0.00 175.10 176.84 3hqo s PHE 441 N 1.42 3.07 -0.44 5.22 5.36 -1.26 -2.14 117.98 129.21 3hqo s PHE 441 Ca 0.05 1.16 -0.15 0.00 -0.96 0.00 0.00 56.93 57.02 3hqo s PHE 441 Cb -0.13 -3.67 0.05 0.00 -0.34 0.00 0.00 43.02 38.93 3hqo s PHE 441 CO -0.11 -0.97 0.34 0.12 -1.46 0.00 0.00 175.22 173.15 3hqo s PHE 442 N 3.71 3.25 -0.30 10.12 5.36 -0.23 -4.98 117.98 134.91 3hqo s PHE 442 Ca 0.48 -0.84 -0.28 0.00 -0.96 0.00 0.00 56.93 55.32 3hqo s PHE 442 Cb -0.14 -2.91 -0.03 0.00 -0.34 0.00 0.00 43.02 39.61 3hqo s PHE 442 CO 0.16 -0.72 1.91 0.34 -1.46 0.00 0.00 175.22 175.45 3hqo s ASP 443 N 2.19 5.77 0.18 6.13 -1.08 -1.26 -4.13 116.67 124.47 3hqo s ASP 443 Ca 0.04 1.44 0.07 0.00 -0.52 0.00 0.00 52.55 53.59 3hqo s ASP 443 Cb -0.22 -2.52 0.02 0.00 -1.46 0.00 0.00 42.92 38.74 3hqo s ASP 443 CO 0.08 -1.79 1.41 0.00 0.52 0.00 0.00 175.17 175.39 3hqo h ALA 444 N 13.49 0.60 -0.05 3.66 0.00 -1.85 -2.81 119.26 132.30 3hqo h ALA 444 Ca -0.35 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 53.80 3hqo h ALA 444 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hqo h ALA 444 CO 1.02 1.02 0.00 -0.25 0.00 0.00 0.00 179.25 181.03 3hqo n ASP 445 N -3.57 1.18 0.00 0.00 9.92 -1.26 -3.18 116.55 119.64 3hqo n ASP 445 Ca -0.01 -1.47 0.00 0.00 -0.53 0.00 0.00 54.79 52.78 3hqo n ASP 445 Cb 0.80 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 41.26 3hqo n ASP 445 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3hqo n LYS 446 N -0.06 0.00 0.00 -1.24 2.85 -1.25 -4.87 118.16 113.60 3hqo n LYS 446 Ca 0.19 -0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 3hqo n LYS 446 Cb 0.28 -0.44 0.00 0.00 -0.65 0.00 0.00 35.03 34.23 3hqo n LYS 446 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3hqo n LEU 447 N 0.00 0.68 0.00 -5.58 4.77 -1.06 -5.09 117.00 110.72 3hqo n LEU 447 Ca 0.00 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3hqo n LEU 447 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3hqo n LEU 447 CO 0.00 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 3hqo n GLY 448 N -0.08 -0.48 0.13 -0.72 0.00 -1.19 -4.75 105.19 98.10 3hqo n GLY 448 Ca 0.00 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 3hqo n GLY 448 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hqo h HIS 449 N 0.00 0.33 -5.79 1.61 3.86 -1.95 -3.44 115.15 109.76 3hqo h HIS 449 Ca 0.00 0.01 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 3hqo h HIS 449 Cb 0.00 -0.11 0.05 0.00 1.06 0.00 0.00 27.41 28.41 3hqo h HIS 449 CO 0.00 0.20 -0.53 -3.47 0.86 0.00 0.00 177.93 175.00 3hqo n ASP 450 N -4.91 -6.61 0.00 2.45 2.03 -1.26 -4.89 116.55 103.36 3hqo n ASP 450 Ca -0.02 -0.53 0.10 0.00 0.52 0.00 0.00 54.79 54.87 3hqo n ASP 450 Cb 0.03 -4.28 0.59 0.00 -0.72 0.00 0.00 41.12 36.74 3hqo n ASP 450 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3hqo n GLU 451 N -2.65 0.95 0.00 -0.67 0.00 -1.26 -2.67 120.64 114.33 3hqo n GLU 451 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.19 3hqo n GLU 451 Cb 0.57 -1.33 0.15 0.00 0.00 0.00 0.00 31.44 30.84 3hqo n GLU 451 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3hqo n GLY 452 N 0.74 -0.89 4.20 -1.84 0.00 -1.26 -4.96 105.19 101.18 3hqo n GLY 452 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3hqo n GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hqo n LYS 453 N -1.13 0.00 0.00 1.61 4.76 -1.09 -4.84 118.16 117.47 3hqo n LYS 453 Ca 0.07 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.40 3hqo n LYS 453 Cb 0.35 -3.25 -0.05 0.00 -1.84 0.00 0.00 35.03 30.24 3hqo n LYS 453 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3hqo h GLU 454 N 0.75 0.05 -0.05 1.97 5.08 -1.93 -2.26 114.58 118.18 3hqo h GLU 454 Ca 0.00 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3hqo h GLU 454 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3hqo h GLU 454 CO 0.00 0.03 -0.71 0.45 -1.00 0.00 0.00 179.01 177.79 3hqo h HIS 455 N 0.05 0.35 0.23 4.33 3.86 -1.93 -3.04 115.15 119.01 3hqo h HIS 455 Ca 0.04 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 3hqo h HIS 455 Cb 0.03 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.45 3hqo h HIS 455 CO -0.11 0.88 -0.11 0.00 0.86 0.00 0.00 177.93 179.44 3hqo h ARG 456 N 0.17 -0.30 -0.66 2.45 3.08 -1.91 -2.29 114.38 114.92 3hqo h ARG 456 Ca -0.02 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.18 3hqo h ARG 456 Cb 1.26 0.07 -0.10 0.00 0.08 0.00 0.00 29.97 31.28 3hqo h ARG 456 CO 0.11 0.07 0.13 0.28 -1.07 0.00 0.00 179.97 179.49 3hqo h VAL 457 N -0.80 0.57 0.00 2.04 2.07 -1.49 0.11 116.25 118.75 3hqo h VAL 457 Ca -0.03 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3hqo h VAL 457 Cb 0.51 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3hqo h VAL 457 CO 0.05 0.04 -0.05 0.00 0.02 0.00 0.00 177.57 177.64 3hqo h ALA 458 N 1.54 1.01 -0.09 1.67 0.00 -1.58 -2.39 119.26 119.43 3hqo h ALA 458 Ca 0.35 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.03 3hqo h ALA 458 Cb 0.56 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3hqo h ALA 458 CO -0.46 0.06 -0.67 0.00 0.00 0.00 0.00 179.25 178.18 3hqo h ALA 459 N 1.95 0.20 -0.87 0.00 0.00 -0.21 -2.61 119.26 117.72 3hqo h ALA 459 Ca -0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 3hqo h ALA 459 Cb 0.56 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3hqo h ALA 459 CO 0.01 0.50 0.46 0.78 0.00 0.00 0.00 179.25 181.00 3hqo h GLY 460 N 0.24 1.30 1.80 0.00 0.00 -0.95 -1.90 103.07 103.58 3hqo h GLY 460 Ca -0.06 -0.61 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 3hqo h GLY 460 CO 0.14 0.58 -0.27 -2.08 0.00 0.00 0.00 176.54 174.91 3hqo h VAL 461 N 1.22 1.24 -0.36 4.60 2.07 -1.48 -1.97 116.25 121.56 3hqo h VAL 461 Ca 0.30 -1.15 -0.10 0.00 0.82 0.00 0.00 66.70 66.57 3hqo h VAL 461 Cb 0.05 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3hqo h VAL 461 CO -0.05 0.35 -0.18 -0.08 0.02 0.00 0.00 177.57 177.64 3hqo h GLU 462 N 0.21 0.76 -0.44 1.57 4.57 -1.03 -0.14 114.58 120.08 3hqo h GLU 462 Ca 0.03 -0.33 0.05 0.00 -1.18 0.00 0.00 59.36 57.93 3hqo h GLU 462 Cb 0.59 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.11 3hqo h GLU 462 CO 0.04 0.95 0.17 0.35 -1.18 0.00 0.00 179.01 179.34 3hqo h PHE 463 N 0.55 0.30 -0.49 0.92 3.57 -1.14 0.16 116.94 120.80 3hqo h PHE 463 Ca 0.08 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.64 3hqo h PHE 463 Cb 0.72 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 3hqo h PHE 463 CO 0.06 0.12 0.27 0.00 -2.23 0.00 0.00 178.31 176.52 3hqo h ALA 464 N 1.28 0.63 -0.58 2.41 0.00 -1.18 -0.53 119.26 121.29 3hqo h ALA 464 Ca 0.20 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hqo h ALA 464 Cb 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hqo h ALA 464 CO -0.20 -0.06 0.20 0.87 0.00 0.00 0.00 179.25 180.06 3hqo h LYS 465 N 0.53 0.86 -0.12 0.00 1.57 -0.34 -1.58 116.57 117.49 3hqo h LYS 465 Ca 0.21 -0.15 -0.20 0.00 -1.87 0.00 0.00 60.65 58.64 3hqo h LYS 465 Cb 0.08 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.25 3hqo h LYS 465 CO -0.12 0.73 -0.70 0.66 -0.57 0.00 0.00 179.45 179.45 3hqo h SER 466 N 0.84 0.81 0.19 0.86 4.64 -0.30 -3.10 113.55 117.49 3hqo h SER 466 Ca 0.19 -0.65 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3hqo h SER 466 Cb 0.21 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3hqo h SER 466 CO -0.01 1.33 0.00 0.29 -0.87 0.00 0.00 176.83 177.57 3hqo n LYS 467 N -4.05 0.61 -2.86 4.77 4.76 -0.24 -4.92 118.16 116.23 3hqo n LYS 467 Ca -0.08 0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.28 3hqo n LYS 467 Cb 0.70 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 32.45 3hqo n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hqo n GLY 468 N 0.66 -0.06 0.13 0.72 0.00 -0.99 -4.98 105.19 100.68 3hqo n GLY 468 Ca 0.16 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3hqo n GLY 468 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hqo n TYR 469 N -2.90 0.17 -4.57 1.61 4.01 -0.63 -4.99 117.16 109.86 3hqo n TYR 469 Ca -0.17 0.06 -0.30 0.00 -0.16 0.00 0.00 57.90 57.33 3hqo n TYR 469 Cb 0.60 -1.02 -0.12 0.00 -0.31 0.00 0.00 39.34 38.49 3hqo n TYR 469 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3hqo s VAL 470 N -2.50 2.80 0.00 -0.72 -7.23 -1.24 -4.80 120.40 106.70 3hqo s VAL 470 Ca -0.36 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 3hqo s VAL 470 Cb 0.12 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.86 3hqo s VAL 470 CO 0.54 0.28 0.00 0.00 -0.31 0.00 0.00 175.10 175.60 3hqo n GLN 471 N 1.36 3.05 -2.83 4.82 6.02 -1.26 -4.47 117.38 124.07 3hqo n GLN 471 Ca -0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.40 3hqo n GLN 471 Cb 0.52 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.74 3hqo n GLN 471 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hqo s THR 472 N 1.55 4.52 0.00 5.09 2.01 -1.26 -3.78 115.64 123.76 3hqo s THR 472 Ca 0.00 0.85 0.00 0.00 0.31 0.00 0.00 61.69 62.85 3hqo s THR 472 Cb 0.00 -4.39 0.00 0.00 0.01 0.00 0.00 72.50 68.12 3hqo s THR 472 CO 0.00 -0.74 0.00 0.61 -0.69 0.00 0.00 174.62 173.80 3hqo n GLY 473 N 4.78 1.23 3.97 4.40 0.00 -0.29 -5.01 105.19 114.27 3hqo n GLY 473 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 3hqo n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hqo s ASP 474 N -2.00 5.95 -0.01 1.61 1.01 -1.25 -4.85 116.67 117.13 3hqo s ASP 474 Ca 0.00 0.08 -0.14 0.00 0.71 0.00 0.00 52.55 53.20 3hqo s ASP 474 Cb 0.00 -1.45 -0.06 0.00 1.01 0.00 0.00 42.92 42.42 3hqo s ASP 474 CO 0.00 -0.52 0.39 -0.31 0.21 0.00 0.00 175.17 174.94 3hqo s TYR 475 N -2.34 3.71 -0.03 4.23 2.02 -1.26 -3.04 117.35 120.64 3hqo s TYR 475 Ca 0.45 0.96 0.01 0.00 -0.37 0.00 0.00 57.07 58.12 3hqo s TYR 475 Cb -0.10 -2.27 0.02 0.00 -0.40 0.00 0.00 41.96 39.22 3hqo s TYR 475 CO 0.34 0.64 -0.02 0.00 -1.57 0.00 0.00 175.55 174.94 3hqo s VAL 477 N 0.84 4.83 -0.14 0.00 1.01 -1.11 -1.80 120.40 124.04 3hqo s VAL 477 Ca -0.09 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.88 3hqo s VAL 477 Cb -0.12 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.10 3hqo s VAL 477 CO -0.01 0.47 -0.18 -0.69 0.00 0.00 0.00 175.10 174.69 3hqo s VAL 478 N 0.29 1.76 -0.03 2.92 1.01 0.63 0.11 120.40 127.09 3hqo s VAL 478 Ca 0.04 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.30 3hqo s VAL 478 Cb -0.12 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3hqo s VAL 478 CO 0.00 0.49 -0.21 -0.63 0.00 0.00 0.00 175.10 174.75 3hqo s ILE 479 N 1.09 2.49 -0.29 2.22 1.01 0.03 -1.09 121.20 126.65 3hqo s ILE 479 Ca -0.03 -0.95 -0.16 0.00 0.00 0.00 0.00 60.65 59.52 3hqo s ILE 479 Cb -0.14 -1.92 0.16 0.00 0.01 0.00 0.00 42.46 40.57 3hqo s ILE 479 CO -0.05 0.58 1.02 -1.38 0.00 0.00 0.00 174.94 175.11 3hqo s HIS 480 N -0.67 -0.53 0.00 3.97 -3.43 -0.41 -2.21 115.29 112.00 3hqo s HIS 480 Ca 0.11 1.00 0.00 0.00 -0.80 0.00 0.00 55.06 55.37 3hqo s HIS 480 Cb -0.10 0.32 0.00 0.00 -1.43 0.00 0.00 32.58 31.37 3hqo s HIS 480 CO -0.00 -0.26 0.00 2.48 -2.00 0.00 0.00 174.74 174.95 3hqo n TYR 488 N 4.11 0.00 -2.98 0.38 0.18 -1.26 -4.27 117.16 113.32 3hqo n TYR 488 Ca -0.15 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.22 3hqo n TYR 488 Cb 0.56 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.46 3hqo n TYR 488 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3hqo s ALA 489 N 0.00 3.52 -0.02 -3.48 0.00 -1.26 -4.89 121.76 115.63 3hqo s ALA 489 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.49 3hqo s ALA 489 Cb 0.00 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.88 3hqo s ALA 489 CO 0.00 -1.22 0.89 0.27 0.00 0.00 0.00 175.76 175.70 3hqo n ASN 490 N 6.18 0.38 -3.80 0.00 2.04 -1.26 -4.54 115.26 114.26 3hqo n ASN 490 Ca 0.03 -1.87 -0.15 0.00 -0.44 0.00 0.00 54.58 52.15 3hqo n ASN 490 Cb 0.48 -0.17 -0.16 0.00 -2.53 0.00 0.00 39.78 37.41 3hqo n ASN 490 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 3hqo s GLN 491 N -0.39 0.00 -0.01 -3.83 0.74 -1.26 -5.03 119.66 109.88 3hqo s GLN 491 Ca 0.04 0.14 0.03 0.00 0.05 0.00 0.00 55.36 55.62 3hqo s GLN 491 Cb 0.03 -0.22 -0.01 0.00 1.10 0.00 0.00 33.01 33.92 3hqo s GLN 491 CO 0.00 -0.13 -0.11 -0.08 -0.55 0.00 0.00 175.29 174.43 3hqo s THR 492 N 0.83 0.88 0.01 -0.34 -1.32 -1.26 -1.29 115.64 113.15 3hqo s THR 492 Ca -0.07 -0.47 0.01 0.00 -1.21 0.00 0.00 61.69 59.95 3hqo s THR 492 Cb -0.10 -0.74 -0.01 0.00 -1.51 0.00 0.00 72.50 70.14 3hqo s THR 492 CO -0.02 0.25 -0.04 -0.13 -2.21 0.00 0.00 174.62 172.47 3hqo s ARG 493 N -0.19 0.33 -0.21 7.08 0.52 -0.25 -5.00 118.95 121.23 3hqo s ARG 493 Ca 0.03 -0.31 -0.04 0.00 -0.52 0.00 0.00 55.73 54.89 3hqo s ARG 493 Cb -0.05 -0.23 -0.01 0.00 0.52 0.00 0.00 34.95 35.18 3hqo s ARG 493 CO -0.00 0.05 -0.03 0.42 0.02 0.00 0.00 175.30 175.76 3hqo s ILE 494 N -0.50 3.53 0.11 1.52 1.01 -1.26 -0.27 121.20 125.33 3hqo s ILE 494 Ca -0.03 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.25 3hqo s ILE 494 Cb -0.04 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 3hqo s ILE 494 CO -0.00 0.42 -0.19 -1.48 0.00 0.00 0.00 174.94 173.69 3hqo s LEU 495 N 1.35 2.32 0.40 2.97 0.05 -0.75 -4.99 118.68 120.04 3hqo s LEU 495 Ca 0.04 -0.71 -0.19 0.00 0.05 0.00 0.00 54.13 53.32 3hqo s LEU 495 Cb -0.14 -0.78 -0.10 0.00 -2.05 0.00 0.00 46.19 43.11 3hqo s LEU 495 CO -0.01 0.00 0.89 -0.76 -0.55 0.00 0.00 176.35 175.92 3hqo s LEU 496 N -2.02 3.97 -0.07 1.48 1.02 -1.26 -2.26 118.68 119.53 3hqo s LEU 496 Ca 0.06 1.57 0.01 0.00 0.02 0.00 0.00 54.13 55.80 3hqo s LEU 496 Cb -0.09 -4.41 -0.03 0.00 0.02 0.00 0.00 46.19 41.68 3hqo s LEU 496 CO 0.04 -0.32 -0.09 0.68 0.02 0.00 0.00 176.35 176.67 3hqo s VAL 497 N -2.14 3.47 -2.74 -1.59 -7.23 -1.17 -4.97 120.40 104.03 3hqo s VAL 497 Ca 0.60 -0.56 0.26 0.00 -1.81 0.00 0.00 61.98 60.47 3hqo s VAL 497 Cb -0.09 -2.41 0.37 0.00 0.56 0.00 0.00 36.38 34.81 3hqo s VAL 497 CO 0.15 0.58 1.51 -0.62 -0.31 0.00 0.00 175.10 176.41