#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 1.30 -0.08 4.33 5.75 -2.06 -2.20 115.11 122.15 3hqo h GLN 2 Ca 0.00 -0.09 -0.13 0.00 -0.15 0.00 0.00 58.65 58.28 3hqo h GLN 2 Cb 0.00 -0.29 -0.01 0.00 1.07 0.00 0.00 27.48 28.25 3hqo h GLN 2 CO 0.00 0.87 -0.54 1.25 -2.65 0.00 0.00 178.83 177.77 3hqo h LEU 3 N 1.34 0.26 -0.42 -2.39 6.46 -2.07 -2.19 115.31 116.29 3hqo h LEU 3 Ca 0.36 -0.13 -0.16 0.00 -0.12 0.00 0.00 57.88 57.82 3hqo h LEU 3 Cb -0.14 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 3hqo h LEU 3 CO -0.08 0.75 -0.44 0.00 -0.62 0.00 0.00 178.44 178.05 3hqo h ALA 4 N 1.26 0.60 -0.08 1.25 0.00 -1.96 -3.14 119.26 117.20 3hqo h ALA 4 Ca 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 3hqo h ALA 4 Cb 1.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3hqo h ALA 4 CO 0.08 0.68 -0.34 1.25 0.00 0.00 0.00 179.25 180.92 3hqo h HIS 5 N 0.67 0.17 0.00 0.00 -0.00 -1.26 -2.74 115.15 111.99 3hqo h HIS 5 Ca 0.04 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 3hqo h HIS 5 Cb 1.02 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 28.39 3hqo h HIS 5 CO 0.06 0.47 -0.17 -0.91 -0.00 0.00 0.00 177.93 177.38 3hqo h ASN 6 N 0.13 0.00 1.79 3.26 2.35 -1.35 -2.91 115.58 118.85 3hqo h ASN 6 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3hqo h ASN 6 Cb 0.66 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 3hqo h ASN 6 CO 0.05 0.17 -0.04 -0.07 -1.65 0.00 0.00 177.43 175.90 3hqo h LEU 7 N 0.00 0.00 -0.37 1.61 3.38 -1.51 -3.16 115.31 115.27 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 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hqo h LEU 7 CO 0.02 0.04 -0.22 0.35 0.09 0.00 0.00 178.44 178.72 3hqo n THR 8 N -3.11 0.00 -1.74 0.22 -2.24 -1.10 -4.92 114.28 101.39 3hqo n THR 8 Ca 0.03 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.42 3hqo n THR 8 Cb 0.50 0.21 0.06 0.00 -2.10 0.00 0.00 70.33 69.01 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 -2.53 2.78 -0.14 3.22 1.43 -1.19 -5.09 118.68 117.15 3hqo s LEU 9 Ca 0.25 1.22 -0.27 0.00 -1.03 0.00 0.00 54.13 54.30 3hqo s LEU 9 Cb 0.19 -3.94 0.07 0.00 0.03 0.00 0.00 46.19 42.54 3hqo s LEU 9 CO 0.52 -1.60 0.66 -0.55 0.23 0.00 0.00 176.35 175.61 3hqo s SER 10 N -4.16 -0.66 0.47 2.29 0.15 -1.26 -5.05 113.70 105.49 3hqo s SER 10 Ca 0.59 0.98 0.17 0.00 0.70 0.00 0.00 55.95 58.39 3hqo s SER 10 Cb -0.12 0.92 1.11 0.00 -1.71 0.00 0.00 66.02 66.21 3hqo s SER 10 CO 0.53 -0.43 2.02 0.16 1.20 0.00 0.00 173.24 176.72 3hqo h ILE 11 N 3.54 1.03 -0.00 6.45 3.07 -2.02 -2.85 117.51 126.73 3hqo h ILE 11 Ca -0.28 -0.55 0.00 0.00 1.55 0.00 0.00 64.86 65.58 3hqo h ILE 11 Cb 1.15 1.30 0.00 0.00 -0.27 0.00 0.00 36.82 39.01 3hqo h ILE 11 CO 0.24 0.15 -0.08 0.49 -1.05 0.00 0.00 178.15 177.91 3hqo n PHE 12 N -4.23 0.00 -1.70 0.16 3.72 -1.26 -4.90 117.46 109.26 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 0.23 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.30 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 -1.43 2.80 -4.77 4.37 9.92 -1.08 -4.89 116.55 121.46 3hqo n ASP 13 Ca 0.08 1.04 -0.41 0.00 -0.53 0.00 0.00 54.79 54.97 3hqo n ASP 13 Cb 0.32 -1.23 -0.01 0.00 -0.64 0.00 0.00 41.12 39.56 3hqo n ASP 13 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 3hqo s PRO 14 N 3.71 4.22 0.64 -0.24 0.02 -1.26 -4.98 135.00 137.11 3hqo s PRO 14 Ca 0.96 2.42 -0.14 0.00 0.02 0.00 0.00 61.00 64.25 3hqo s PRO 14 Cb -0.92 -3.02 -0.01 0.00 0.02 0.00 0.00 34.50 30.56 3hqo s PRO 14 CO 0.60 -0.40 1.08 0.14 -0.33 0.00 0.00 177.00 178.08 3hqo s VAL 15 N -0.92 3.62 0.83 3.83 -7.23 -1.26 -5.02 120.40 114.25 3hqo s VAL 15 Ca 0.53 0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 61.29 3hqo s VAL 15 Cb -0.44 -3.25 0.10 0.00 0.56 0.00 0.00 36.38 33.35 3hqo s VAL 15 CO 0.56 -0.51 1.16 0.00 -0.31 0.00 0.00 175.10 176.00 3hqo s ALA 16 N -2.53 1.79 -2.07 1.32 0.00 -1.26 -4.93 121.76 114.08 3hqo s ALA 16 Ca 0.64 0.65 0.14 0.00 0.00 0.00 0.00 51.96 53.38 3hqo s ALA 16 Cb -0.17 -3.44 0.65 0.00 0.00 0.00 0.00 23.12 20.17 3hqo s ALA 16 CO 0.42 -2.34 1.45 0.27 0.00 0.00 0.00 175.76 175.56 3hqo n ASN 17 N -3.64 0.71 -3.71 0.00 2.04 -1.26 -4.84 115.26 104.56 3hqo n ASN 17 Ca 0.12 -1.71 -0.14 0.00 -0.44 0.00 0.00 54.58 52.41 3hqo n ASN 17 Cb 0.52 -0.06 -0.08 0.00 -2.53 0.00 0.00 39.78 37.62 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 -1.88 -0.31 0.04 -2.53 -0.85 -1.26 -5.04 117.35 105.52 3hqo s TYR 18 Ca 0.22 0.56 -0.14 0.00 -0.52 0.00 0.00 57.07 57.20 3hqo s TYR 18 Cb 0.11 0.16 -0.06 0.00 0.38 0.00 0.00 41.96 42.55 3hqo s TYR 18 CO 0.17 -0.40 0.44 0.50 -1.52 0.00 0.00 175.55 174.74 3hqo s ARG 19 N -1.04 3.91 -0.23 -3.49 3.52 -1.26 -5.00 118.95 115.36 3hqo s ARG 19 Ca -0.11 0.40 -0.12 0.00 -0.13 0.00 0.00 55.73 55.77 3hqo s ARG 19 Cb -0.04 -3.13 -0.10 0.00 -1.56 0.00 0.00 34.95 30.12 3hqo s ARG 19 CO 0.05 0.63 -0.30 0.00 -0.81 0.00 0.00 175.30 174.86 3hqo n ALA 20 N 1.47 1.45 -1.78 6.12 0.00 -1.26 -4.64 120.51 121.87 3hqo n ALA 20 Ca -0.11 -0.92 -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 s ALA 21 N -2.46 3.48 -0.22 0.00 0.00 -1.26 -0.45 121.76 120.85 3hqo s ALA 21 Ca -0.32 1.56 -0.07 0.00 0.00 0.00 0.00 51.96 53.12 3hqo s ALA 21 Cb 0.12 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 3hqo s ALA 21 CO 0.41 -1.12 0.06 1.03 0.00 0.00 0.00 175.76 176.14 3hqo s ARG 22 N -2.21 3.76 0.18 0.00 1.81 -0.73 -4.91 118.95 116.85 3hqo s ARG 22 Ca 0.55 -0.44 -0.27 0.00 -1.72 0.00 0.00 55.73 53.85 3hqo s ARG 22 Cb -0.46 -3.24 -0.08 0.00 -0.45 0.00 0.00 34.95 30.72 3hqo s ARG 22 CO 0.62 0.01 0.84 0.42 -0.68 0.00 0.00 175.30 176.51 3hqo s ILE 23 N 1.06 4.30 -0.10 1.52 1.01 -1.26 -2.09 121.20 125.63 3hqo s ILE 23 Ca 0.04 1.85 0.02 0.00 0.00 0.00 0.00 60.65 62.56 3hqo s ILE 23 Cb -0.14 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.13 3hqo s ILE 23 CO 0.03 0.49 -0.16 -0.63 0.00 0.00 0.00 174.94 174.67 3hqo s ILE 24 N -1.01 1.55 0.12 2.92 1.01 -0.67 -1.00 121.20 124.12 3hqo s ILE 24 Ca 0.38 -0.69 0.07 0.00 0.00 0.00 0.00 60.65 60.42 3hqo s ILE 24 Cb -0.24 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 3hqo s ILE 24 CO 0.28 0.45 -0.08 0.00 0.00 0.00 0.00 174.94 175.59 3hqo s THR 26 N -1.35 5.31 -0.14 0.00 2.01 -0.84 -0.07 115.64 120.57 3hqo s THR 26 Ca 0.23 0.25 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 3hqo s THR 26 Cb -0.11 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 3hqo s THR 26 CO 0.15 0.28 1.03 -0.63 -0.69 0.00 0.00 174.62 174.76 3hqo s ILE 27 N 1.47 4.71 0.04 1.82 -1.09 -0.74 -2.68 121.20 124.73 3hqo s ILE 27 Ca 0.09 2.00 0.01 0.00 -2.23 0.00 0.00 60.65 60.52 3hqo s ILE 27 Cb -0.15 -4.29 -0.00 0.00 -1.58 0.00 0.00 42.46 36.44 3hqo s ILE 27 CO 0.08 -0.05 0.03 0.61 -1.23 0.00 0.00 174.94 174.39 3hqo n GLY 28 N 3.18 3.77 0.54 6.18 0.00 -1.25 -4.77 105.19 112.84 3hqo n GLY 28 Ca 0.10 -1.64 0.36 0.00 0.00 0.00 0.00 46.02 44.84 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 0.04 0.00 1.61 0.13 -1.85 0.41 132.00 132.34 3hqo h PRO 29 Ca -0.03 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3hqo h PRO 29 Cb 0.13 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.25 3hqo h PRO 29 CO 0.04 0.03 0.00 0.77 -0.23 0.00 0.00 178.00 178.60 3hqo h SER 30 N 0.04 0.00 0.00 1.44 0.02 -1.67 -3.38 113.55 109.99 3hqo h SER 30 Ca 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.57 3hqo h SER 30 Cb 2.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.94 3hqo h SER 30 CO -0.05 0.00 -0.23 0.35 -1.14 0.00 0.00 176.83 175.75 3hqo n THR 31 N -2.32 0.00 0.05 -2.27 -2.24 0.14 -4.89 114.28 102.74 3hqo n THR 31 Ca 0.05 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.77 3hqo n THR 31 Cb 0.38 0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 69.26 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 -7.03 -0.78 4.15 -1.47 -3.37 115.11 106.60 3hqo h GLN 32 Ca 0.00 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.86 3hqo h GLN 32 Cb 1.19 0.00 0.15 0.00 0.21 0.00 0.00 27.48 29.02 3hqo h GLN 32 CO 0.00 0.78 0.55 -1.13 -1.93 0.00 0.00 178.83 177.10 3hqo n SER 33 N -3.24 2.44 -0.15 -0.69 3.41 -1.26 -4.83 113.62 109.31 3hqo n SER 33 Ca -0.04 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 3hqo n SER 33 Cb 0.94 -1.56 0.26 0.00 -0.26 0.00 0.00 64.21 63.59 3hqo n SER 33 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3hqo h VAL 34 N 1.20 1.19 0.00 -3.33 -1.51 -1.89 -0.30 116.25 111.61 3hqo h VAL 34 Ca -0.51 -0.45 -0.02 0.00 -1.23 0.00 0.00 66.70 64.48 3hqo h VAL 34 Cb 1.32 0.33 -0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3hqo h VAL 34 CO 0.56 0.20 -0.12 -0.08 -1.23 0.00 0.00 177.57 176.90 3hqo h GLU 35 N 0.87 0.00 0.09 5.19 4.57 -1.96 -0.18 114.58 123.16 3hqo h GLU 35 Ca 0.22 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 58.05 3hqo h GLU 35 Cb 0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 3hqo h GLU 35 CO -0.04 0.12 -1.97 0.00 -1.18 0.00 0.00 179.01 175.94 3hqo n ALA 36 N -2.30 1.05 -0.15 2.92 0.00 -0.97 -3.77 120.51 117.29 3hqo n ALA 36 Ca -0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 53.44 52.74 3hqo n ALA 36 Cb 0.23 -0.68 0.22 0.00 0.00 0.00 0.00 19.45 19.22 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 0.79 -0.50 0.00 3.38 -0.72 -0.96 115.31 117.34 3hqo h LEU 37 Ca -0.41 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 3hqo h LEU 37 Cb 2.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 3hqo h LEU 37 CO 0.08 0.69 0.30 0.11 0.09 0.00 0.00 178.44 179.71 3hqo h LYS 38 N 0.86 0.69 -0.54 1.13 1.57 -1.22 -2.26 116.57 116.81 3hqo h LYS 38 Ca 0.21 -0.07 0.10 0.00 -1.87 0.00 0.00 60.65 59.02 3hqo h LYS 38 Cb 0.14 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.22 3hqo h LYS 38 CO -0.02 0.52 0.04 0.78 -0.57 0.00 0.00 179.45 180.20 3hqo h GLY 39 N 0.67 0.60 1.30 3.86 0.00 -1.32 -1.72 103.07 106.47 3hqo h GLY 39 Ca 0.18 0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.48 3hqo h GLY 39 CO -0.03 -0.13 0.06 1.41 0.00 0.00 0.00 176.54 177.85 3hqo h LEU 40 N 0.16 0.82 -0.19 3.11 4.07 -1.02 -0.49 115.31 121.77 3hqo h LEU 40 Ca 0.28 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 3hqo h LEU 40 Cb 0.42 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 3hqo h LEU 40 CO -0.42 0.85 0.09 0.40 -1.08 0.00 0.00 178.44 178.28 3hqo h ILE 41 N 0.82 1.14 -0.01 1.22 2.04 -0.79 0.51 117.51 122.44 3hqo h ILE 41 Ca 0.17 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 3hqo h ILE 41 Cb 0.40 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3hqo h ILE 41 CO 0.01 0.13 -0.40 1.56 0.00 0.00 0.00 178.15 179.46 3hqo h GLN 42 N 0.17 0.01 0.00 2.37 4.20 -1.25 -3.04 115.11 117.57 3hqo h GLN 42 Ca 0.06 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 3hqo h GLN 42 Cb 0.13 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3hqo h GLN 42 CO -0.01 0.41 -0.46 0.77 -0.67 0.00 0.00 178.83 178.87 3hqo h SER 43 N 0.01 0.00 0.00 1.46 0.02 -0.82 -3.47 113.55 110.75 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 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 3hqo h SER 43 CO 0.05 0.46 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 3hqo n GLY 44 N 0.91 -0.99 3.73 -3.77 0.00 -0.57 -3.90 105.19 100.59 3hqo n GLY 44 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 4.21 -0.19 1.61 -2.45 0.06 -4.41 119.30 118.13 3hqo s MET 45 Ca 0.00 2.39 0.03 0.00 -1.25 0.00 0.00 55.69 56.87 3hqo s MET 45 Cb 0.00 -3.11 -0.13 0.00 1.25 0.00 0.00 34.83 32.83 3hqo s MET 45 CO 0.00 -0.56 -0.14 0.43 1.05 0.00 0.00 175.02 175.80 3hqo n SER 46 N 3.19 2.33 -4.17 1.11 7.64 -0.17 -4.60 113.62 118.94 3hqo n SER 46 Ca 0.11 -0.09 -0.24 0.00 1.01 0.00 0.00 58.87 59.66 3hqo n SER 46 Cb 0.39 -0.14 -0.15 0.00 -1.01 0.00 0.00 64.21 63.30 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 -2.38 1.36 -0.23 0.44 1.01 -0.96 -2.99 120.40 116.64 3hqo s VAL 47 Ca -0.23 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 60.83 3hqo s VAL 47 Cb 0.06 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3hqo s VAL 47 CO 0.47 0.31 0.10 0.00 0.00 0.00 0.00 175.10 175.98 3hqo s ALA 48 N -0.52 3.36 -0.16 5.51 0.00 0.15 -1.14 121.76 128.97 3hqo s ALA 48 Ca 0.06 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 3hqo s ALA 48 Cb -0.07 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 3hqo s ALA 48 CO -0.00 -0.25 0.09 0.50 0.00 0.00 0.00 175.76 176.10 3hqo s ARG 49 N 1.17 3.79 -0.21 0.00 3.52 0.90 -0.37 118.95 127.75 3hqo s ARG 49 Ca 0.05 -0.27 -0.05 0.00 -0.13 0.00 0.00 55.73 55.33 3hqo s ARG 49 Cb -0.14 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 3hqo s ARG 49 CO 0.04 0.45 0.01 -1.64 -0.81 0.00 0.00 175.30 173.35 3hqo s MET 50 N -0.11 3.61 -0.49 5.12 -1.94 0.29 -1.79 119.30 123.99 3hqo s MET 50 Ca 0.08 -0.52 -0.21 0.00 -1.71 0.00 0.00 55.69 53.33 3hqo s MET 50 Cb -0.12 -3.12 0.04 0.00 2.01 0.00 0.00 34.83 33.64 3hqo s MET 50 CO 0.01 -0.04 0.72 1.21 -0.01 0.00 0.00 175.02 176.91 3hqo s ASN 51 N 1.14 6.29 0.00 3.03 2.47 -1.26 -1.16 114.94 125.45 3hqo s ASN 51 Ca 0.03 -0.55 0.04 0.00 0.42 0.00 0.00 52.86 52.80 3hqo s ASN 51 Cb -0.14 -2.34 0.21 0.00 -1.45 0.00 0.00 41.25 37.53 3hqo s ASN 51 CO 0.02 -0.95 1.15 0.49 -3.72 0.00 0.00 177.10 174.09 3hqo n PHE 52 N 6.56 0.06 1.10 0.43 3.01 -0.74 -2.41 117.46 125.47 3hqo n PHE 52 Ca -0.02 -0.03 0.14 0.00 1.01 0.00 0.00 57.45 58.54 3hqo n PHE 52 Cb 0.47 0.00 0.64 0.00 -0.01 0.00 0.00 39.48 40.58 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 -0.41 0.00 -3.94 4.37 7.64 -1.26 -4.64 113.62 115.38 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 0.05 -0.42 -0.12 0.00 -1.01 0.00 0.00 64.21 62.71 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 -2.84 0.18 0.06 1.43 3.76 -1.01 -5.10 115.29 111.76 3hqo s HIS 54 Ca 0.18 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 3hqo s HIS 54 Cb 0.18 -0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.74 3hqo s HIS 54 CO 0.48 -0.14 0.00 0.41 -0.85 0.00 0.00 174.74 174.64 3hqo n GLY 55 N 2.00 -2.72 3.94 -2.22 0.00 -1.26 -4.85 105.19 100.08 3hqo n GLY 55 Ca -0.21 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 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 -4.14 4.92 0.59 1.61 1.04 -1.26 -4.91 113.70 111.55 3hqo s SER 56 Ca 0.00 0.30 0.33 0.00 0.48 0.00 0.00 55.95 57.06 3hqo s SER 56 Cb 0.00 -1.00 1.88 0.00 0.10 0.00 0.00 66.02 67.00 3hqo s SER 56 CO 0.00 -1.49 2.23 0.45 0.98 0.00 0.00 173.24 175.41 3hqo h HIS 57 N -0.42 0.00 -0.18 5.02 -0.00 -1.99 -0.74 115.15 116.85 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 0.31 0.03 -0.53 1.49 -0.00 0.00 0.00 177.93 179.24 3hqo h GLU 58 N 0.00 0.51 0.09 2.45 4.81 -2.00 -2.73 114.58 117.71 3hqo h GLU 58 Ca -0.00 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3hqo h GLU 58 Cb 0.11 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3hqo h GLU 58 CO 0.00 0.91 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.23 3hqo h TYR 59 N 0.39 -0.11 0.00 0.92 3.20 -1.52 -3.25 116.97 116.61 3hqo h TYR 59 Ca 0.01 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3hqo h TYR 59 Cb 1.05 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.35 3hqo h TYR 59 CO 0.04 0.42 -0.12 0.45 -1.64 0.00 0.00 178.16 177.31 3hqo h HIS 60 N -0.75 0.00 -0.15 -3.82 3.86 -1.47 -1.78 115.15 111.04 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 0.57 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 3hqo h HIS 60 CO 0.11 0.12 0.07 0.37 0.86 0.00 0.00 177.93 179.46 3hqo h GLN 61 N 0.00 0.15 -0.83 2.45 5.75 -1.53 -0.46 115.11 120.64 3hqo h GLN 61 Ca -0.00 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 3hqo h GLN 61 Cb 0.35 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 3hqo h GLN 61 CO 0.01 0.10 0.41 1.15 -2.65 0.00 0.00 178.83 177.85 3hqo h THR 62 N 0.15 1.26 -0.10 2.39 2.02 -1.36 0.87 112.91 118.13 3hqo h THR 62 Ca 0.06 -0.70 0.04 0.00 0.77 0.00 0.00 66.41 66.58 3hqo h THR 62 Cb 0.01 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.56 3hqo h THR 62 CO -0.04 0.30 -0.22 0.74 0.37 0.00 0.00 175.52 176.67 3hqo h THR 63 N 1.18 0.47 -0.27 3.16 2.02 -1.20 0.32 112.91 118.59 3hqo h THR 63 Ca 0.29 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.50 3hqo h THR 63 Cb 0.10 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 3hqo h THR 63 CO -0.04 0.00 0.08 0.40 0.37 0.00 0.00 175.52 176.33 3hqo h ILE 64 N -0.29 0.91 0.00 3.11 2.04 -0.50 0.74 117.51 123.52 3hqo h ILE 64 Ca 0.09 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 3hqo h ILE 64 Cb 0.43 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3hqo h ILE 64 CO -0.27 0.04 -0.19 0.78 0.00 0.00 0.00 178.15 178.50 3hqo h ASN 65 N 0.19 0.00 0.23 1.72 2.35 -0.43 -2.32 115.58 117.33 3hqo h ASN 65 Ca 0.12 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.53 3hqo h ASN 65 Cb 0.10 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 3hqo h ASN 65 CO -0.13 0.19 -1.96 0.59 -1.65 0.00 0.00 177.43 174.46 3hqo n ASN 66 N -3.87 1.53 -0.04 5.81 4.13 0.07 -2.82 115.26 120.06 3hqo n ASN 66 Ca -0.02 0.24 -0.09 0.00 1.68 0.00 0.00 54.58 56.39 3hqo n ASN 66 Cb 0.29 -0.42 -0.02 0.00 -1.54 0.00 0.00 39.78 38.08 3hqo n ASN 66 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3hqo h VAL 67 N 0.04 0.89 -0.81 2.41 2.07 -0.81 -0.39 116.25 119.65 3hqo h VAL 67 Ca -0.40 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 3hqo h VAL 67 Cb 2.03 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 3hqo h VAL 67 CO 0.07 0.02 0.34 0.03 0.02 0.00 0.00 177.57 178.04 3hqo h ARG 68 N 0.11 1.20 -0.36 1.57 3.08 -1.57 -1.82 114.38 116.58 3hqo h ARG 68 Ca 0.09 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 3hqo h ARG 68 Cb 0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3hqo h ARG 68 CO -0.14 0.96 0.01 0.37 -1.07 0.00 0.00 179.97 180.11 3hqo h GLN 69 N 1.17 0.62 -0.14 0.04 4.15 -1.35 -2.27 115.11 117.34 3hqo h GLN 69 Ca 0.27 -0.19 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 3hqo h GLN 69 Cb 0.19 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3hqo h GLN 69 CO -0.03 0.73 -0.19 0.00 -1.93 0.00 0.00 178.83 177.41 3hqo h ALA 70 N 0.87 1.43 0.05 3.38 0.00 -0.92 -2.28 119.26 121.79 3hqo h ALA 70 Ca 0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hqo h ALA 70 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hqo h ALA 70 CO 0.02 0.40 -0.03 0.00 0.00 0.00 0.00 179.25 179.64 3hqo h ALA 71 N 1.60 -0.07 -0.48 0.00 0.00 -1.22 -2.92 119.26 116.17 3hqo h ALA 71 Ca 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3hqo h ALA 71 Cb 0.47 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3hqo h ALA 71 CO 0.03 -0.36 0.17 0.00 0.00 0.00 0.00 179.25 179.09 3hqo h ALA 72 N 0.49 1.41 0.00 0.00 0.00 -1.28 0.22 119.26 120.10 3hqo h ALA 72 Ca -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3hqo h ALA 72 Cb 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hqo h ALA 72 CO 0.01 0.44 -0.30 0.93 0.00 0.00 0.00 179.25 180.33 3hqo h GLU 73 N 0.68 0.00 0.00 0.00 5.08 -1.45 -3.05 114.58 115.85 3hqo h GLU 73 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3hqo h GLU 73 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3hqo h GLU 73 CO -0.01 0.30 -1.21 1.28 -1.00 0.00 0.00 179.01 178.37 3hqo n LEU 74 N -3.54 0.73 -0.17 1.33 4.77 -0.85 -5.01 117.00 114.27 3hqo n LEU 74 Ca -0.00 -0.33 -0.00 0.00 -0.03 0.00 0.00 56.01 55.64 3hqo n LEU 74 Cb 0.45 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3hqo n LEU 74 CO 0.35 0.17 -0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3hqo n GLY 75 N 1.44 0.49 3.33 -0.72 0.00 0.73 -5.07 105.19 105.38 3hqo n GLY 75 Ca 0.02 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 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 1.68 -0.34 1.61 -7.23 -0.93 -5.03 120.40 107.91 3hqo s VAL 76 Ca 0.00 -2.08 -0.18 0.00 -1.81 0.00 0.00 61.98 57.91 3hqo s VAL 76 Cb -0.00 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 3hqo s VAL 76 CO 0.00 -0.52 0.50 0.20 -0.31 0.00 0.00 175.10 174.97 3hqo s ASN 77 N -3.07 6.31 -0.15 4.85 0.01 -1.26 -4.40 114.94 117.23 3hqo s ASN 77 Ca 0.19 -0.02 -0.00 0.00 -0.71 0.00 0.00 52.86 52.32 3hqo s ASN 77 Cb -0.02 -2.26 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 3hqo s ASN 77 CO 0.06 -0.46 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.42 3hqo s ILE 78 N 2.35 2.84 0.45 0.60 -1.09 -1.26 -4.76 121.20 120.33 3hqo s ILE 78 Ca 0.18 -0.72 -0.20 0.00 -2.23 0.00 0.00 60.65 57.68 3hqo s ILE 78 Cb -0.16 -2.20 -0.10 0.00 -1.58 0.00 0.00 42.46 38.42 3hqo s ILE 78 CO 0.13 0.51 0.96 0.00 -1.23 0.00 0.00 174.94 175.31 3hqo s ALA 79 N 0.65 3.05 -0.10 9.38 0.00 -1.16 -4.92 121.76 128.64 3hqo s ALA 79 Ca -0.07 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.26 3hqo s ALA 79 Cb -0.16 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3hqo s ALA 79 CO 0.02 0.03 -0.22 0.42 0.00 0.00 0.00 175.76 176.02 3hqo s ILE 80 N -2.30 1.92 -0.06 0.00 1.01 -1.26 -0.67 121.20 119.84 3hqo s ILE 80 Ca 0.61 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 60.40 3hqo s ILE 80 Cb -0.09 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 3hqo s ILE 80 CO 0.18 0.53 -0.25 0.00 0.00 0.00 0.00 174.94 175.40 3hqo s ALA 81 N 0.50 2.17 -0.15 9.38 0.00 0.50 -1.63 121.76 132.53 3hqo s ALA 81 Ca -0.16 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 50.62 3hqo s ALA 81 Cb -0.17 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 3hqo s ALA 81 CO 0.06 0.41 0.30 -1.17 0.00 0.00 0.00 175.76 175.36 3hqo s LEU 82 N -0.15 4.26 -0.33 0.00 0.20 -0.51 -0.55 118.68 121.61 3hqo s LEU 82 Ca -0.04 0.54 -0.03 0.00 0.69 0.00 0.00 54.13 55.28 3hqo s LEU 82 Cb -0.14 -2.39 0.05 0.00 -0.43 0.00 0.00 46.19 43.29 3hqo s LEU 82 CO 0.04 0.11 0.06 -0.62 -0.29 0.00 0.00 176.35 175.64 3hqo s ASP 83 N 0.38 5.06 0.86 3.68 -1.08 -0.31 0.76 116.67 126.02 3hqo s ASP 83 Ca 0.17 -1.33 -0.11 0.00 -0.52 0.00 0.00 52.55 50.76 3hqo s ASP 83 Cb -0.13 -1.77 0.12 0.00 -1.46 0.00 0.00 42.92 39.67 3hqo s ASP 83 CO 0.04 -0.32 1.15 0.42 0.52 0.00 0.00 175.17 176.98 3hqo s THR 84 N 1.28 2.31 -0.03 1.71 -4.23 -0.93 -1.79 115.64 113.97 3hqo s THR 84 Ca -0.02 0.11 -0.00 0.00 -1.18 0.00 0.00 61.69 60.59 3hqo s THR 84 Cb -0.20 -2.28 -0.00 0.00 1.34 0.00 0.00 72.50 71.35 3hqo s THR 84 CO -0.00 -0.13 -0.01 0.50 -0.54 0.00 0.00 174.62 174.44 3hqo h LYS 85 N -1.54 0.00 0.00 3.99 3.64 -1.92 -3.40 116.57 117.34 3hqo h LYS 85 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3hqo h LYS 85 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3hqo h LYS 85 CO 0.44 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.03 3hqo n GLY 86 N 1.91 -1.04 1.71 5.01 0.00 -1.26 -4.15 105.19 107.38 3hqo n GLY 86 Ca -0.00 -1.28 -0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 0.62 -3.42 1.61 -0.02 -1.26 -4.87 135.00 127.66 3hqo n PRO 87 Ca 0.00 -0.02 -0.36 0.00 -2.02 0.00 0.00 63.50 61.10 3hqo n PRO 87 Cb 0.00 -1.22 -0.06 0.00 -0.02 0.00 0.00 33.50 32.21 3hqo n PRO 87 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3hqo s GLU 88 N 0.82 3.96 -0.04 -0.52 -1.05 -1.26 -5.07 118.70 115.56 3hqo s GLU 88 Ca 0.01 0.46 0.00 0.00 -0.15 0.00 0.00 54.97 55.29 3hqo s GLU 88 Cb 0.01 -3.07 -0.03 0.00 -0.44 0.00 0.00 34.13 30.59 3hqo s GLU 88 CO 0.00 0.58 -0.00 0.42 0.95 0.00 0.00 175.26 177.21 3hqo s ILE 89 N -1.29 4.20 0.16 1.83 1.01 -1.26 -5.02 121.20 120.84 3hqo s ILE 89 Ca 0.32 -0.45 0.08 0.00 0.00 0.00 0.00 60.65 60.59 3hqo s ILE 89 Cb -0.16 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3hqo s ILE 89 CO 0.17 0.48 -0.16 -0.13 0.00 0.00 0.00 174.94 175.30 3hqo s ARG 90 N -1.26 1.22 0.89 2.79 1.81 -1.26 -0.79 118.95 122.35 3hqo s ARG 90 Ca 0.17 -1.41 -0.14 0.00 -1.72 0.00 0.00 55.73 52.63 3hqo s ARG 90 Cb -0.11 -1.15 0.16 0.00 -0.45 0.00 0.00 34.95 33.39 3hqo s ARG 90 CO 0.07 0.22 1.25 0.95 -0.68 0.00 0.00 175.30 177.10 3hqo s THR 91 N -2.35 2.02 0.00 0.02 -4.23 0.53 -2.27 115.64 109.36 3hqo s THR 91 Ca 0.16 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 3hqo s THR 91 Cb -0.04 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.83 3hqo s THR 91 CO 0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 3hqo n GLY 92 N -3.55 -0.34 3.94 3.99 0.00 -1.26 -4.11 105.19 103.86 3hqo n GLY 92 Ca 0.13 -1.73 -0.24 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 -0.74 3.28 -0.11 1.61 -0.21 -0.45 -1.62 119.66 121.42 3hqo s GLN 93 Ca 0.00 -0.26 0.01 0.00 0.02 0.00 0.00 55.36 55.13 3hqo s GLN 93 Cb 0.00 -2.53 0.02 0.00 1.00 0.00 0.00 33.01 31.50 3hqo s GLN 93 CO 0.00 -0.16 -0.12 -0.06 -2.12 0.00 0.00 175.29 172.83 3hqo s PHE 94 N -2.55 1.76 0.09 0.91 0.08 -1.26 -2.59 117.98 114.41 3hqo s PHE 94 Ca 0.46 -0.84 -0.33 0.00 0.12 0.00 0.00 56.93 56.34 3hqo s PHE 94 Cb -0.10 -1.32 -0.12 0.00 -0.57 0.00 0.00 43.02 40.90 3hqo s PHE 94 CO 0.39 -0.48 1.75 1.55 -0.10 0.00 0.00 175.22 178.33 3hqo n VAL 95 N 4.43 0.27 0.00 -0.44 3.14 -1.14 -0.54 118.33 124.05 3hqo n VAL 95 Ca -0.18 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 3hqo n VAL 95 Cb 0.51 -1.83 0.00 0.00 -1.06 0.00 0.00 33.84 31.46 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 3.95 2.58 0.30 7.55 0.00 -1.26 -4.53 105.19 113.78 3hqo n GLY 96 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.12 0.34 3.32 -0.02 0.00 0.30 -5.05 105.19 103.96 3hqo n GLY 97 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.31 0.09 -0.04 1.61 3.84 -1.26 -4.07 116.67 114.51 3hqo s ASP 98 Ca 0.00 -1.15 -0.01 0.00 -0.00 0.00 0.00 52.55 51.39 3hqo s ASP 98 Cb 0.00 0.43 0.03 0.00 -1.38 0.00 0.00 42.92 42.00 3hqo s ASP 98 CO 0.00 -0.92 0.04 0.00 -0.00 0.00 0.00 175.17 174.30 3hqo s ALA 99 N -4.07 0.30 -0.98 2.11 0.00 0.59 -4.80 121.76 114.91 3hqo s ALA 99 Ca 0.29 0.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.25 3hqo s ALA 99 Cb 0.04 -0.57 0.20 0.00 0.00 0.00 0.00 23.12 22.79 3hqo s ALA 99 CO 0.08 -0.41 1.06 0.08 0.00 0.00 0.00 175.76 176.57 3hqo s VAL 100 N 1.92 5.34 -0.06 0.00 1.01 -1.26 -0.61 120.40 126.74 3hqo s VAL 100 Ca 0.02 -2.45 -0.30 0.00 0.00 0.00 0.00 61.98 59.26 3hqo s VAL 100 Cb -0.12 -4.66 -0.02 0.00 0.00 0.00 0.00 36.38 31.57 3hqo s VAL 100 CO -0.03 -1.30 1.05 -0.04 0.00 0.00 0.00 175.10 174.77 3hqo s MET 101 N 0.83 4.44 -0.10 2.72 -1.94 -0.33 -4.95 119.30 119.96 3hqo s MET 101 Ca 0.29 1.47 0.04 0.00 -1.71 0.00 0.00 55.69 55.78 3hqo s MET 101 Cb -0.07 -3.51 -0.00 0.00 2.01 0.00 0.00 34.83 33.25 3hqo s MET 101 CO -0.07 -0.28 -0.23 -1.21 -0.01 0.00 0.00 175.02 173.22 3hqo s GLU 102 N 1.76 3.08 -0.78 2.03 2.02 -1.26 -0.11 118.70 125.44 3hqo s GLU 102 Ca 0.51 -0.86 -0.32 0.00 0.02 0.00 0.00 54.97 54.32 3hqo s GLU 102 Cb -0.21 -2.33 -0.18 0.00 0.10 0.00 0.00 34.13 31.51 3hqo s GLU 102 CO 0.22 0.18 2.53 -2.13 0.02 0.00 0.00 175.26 176.07 3hqo n ARG 103 N 3.54 0.30 0.00 1.61 0.63 -1.26 -0.57 116.66 120.90 3hqo n ARG 103 Ca -0.19 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 3hqo n ARG 103 Cb 0.53 -1.96 0.00 0.00 0.45 0.00 0.00 32.46 31.48 3hqo n ARG 103 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hqo n GLY 104 N 6.54 1.26 3.88 5.14 0.00 -0.83 -4.91 105.19 116.28 3hqo n GLY 104 Ca 0.57 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 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 3.31 -0.43 4.61 0.00 0.26 -4.83 121.76 122.68 3hqo s ALA 105 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 3hqo s ALA 105 Cb 0.00 -2.74 0.12 0.00 0.00 0.00 0.00 23.12 20.49 3hqo s ALA 105 CO 0.00 -0.22 0.20 0.99 0.00 0.00 0.00 175.76 176.73 3hqo s THR 106 N -2.61 3.03 0.05 0.00 2.01 -1.26 -0.46 115.64 116.40 3hqo s THR 106 Ca 0.51 -2.35 -0.02 0.00 0.31 0.00 0.00 61.69 60.13 3hqo s THR 106 Cb -0.10 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 3hqo s THR 106 CO 0.39 -0.70 0.24 0.00 -0.69 0.00 0.00 174.62 173.85 3hqo s TYR 108 N -1.46 3.28 -0.08 0.00 2.02 0.37 -1.36 117.35 120.12 3hqo s TYR 108 Ca 0.33 -1.56 -0.14 0.00 -0.37 0.00 0.00 57.07 55.34 3hqo s TYR 108 Cb -0.13 -2.36 -0.05 0.00 -0.40 0.00 0.00 41.96 39.02 3hqo s TYR 108 CO 0.24 -0.76 0.34 0.14 -1.57 0.00 0.00 175.55 173.93 3hqo s VAL 109 N 1.37 5.20 0.07 0.71 -7.23 -1.01 -1.66 120.40 117.84 3hqo s VAL 109 Ca -0.01 0.68 0.02 0.00 -1.81 0.00 0.00 61.98 60.86 3hqo s VAL 109 Cb -0.20 -3.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.05 3hqo s VAL 109 CO 0.02 0.50 -0.08 0.28 -0.31 0.00 0.00 175.10 175.51 3hqo s THR 110 N -0.44 0.68 -0.95 5.32 -1.32 -0.72 -0.59 115.64 117.62 3hqo s THR 110 Ca 0.21 -1.41 0.28 0.00 -1.21 0.00 0.00 61.69 59.55 3hqo s THR 110 Cb -0.15 -1.05 0.23 0.00 -1.51 0.00 0.00 72.50 70.03 3hqo s THR 110 CO 0.09 -0.53 1.86 0.35 -2.21 0.00 0.00 174.62 174.18 3hqo n THR 111 N 0.90 0.11 -2.29 5.08 -2.24 0.14 -4.13 114.28 111.86 3hqo n THR 111 Ca -0.19 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.11 3hqo n THR 111 Cb 0.57 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.31 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 -3.29 6.59 0.05 3.42 3.68 -1.26 -4.87 116.67 120.99 3hqo s ASP 112 Ca 0.13 1.46 0.12 0.00 2.13 0.00 0.00 52.55 56.39 3hqo s ASP 112 Cb 0.18 -2.54 0.54 0.00 -1.45 0.00 0.00 42.92 39.65 3hqo s ASP 112 CO 0.56 -1.11 1.39 -0.81 0.13 0.00 0.00 175.17 175.33 3hqo n PRO 113 N 7.36 0.03 -0.35 4.34 -0.04 -1.26 -2.71 135.00 142.38 3hqo n PRO 113 Ca 0.16 0.36 -0.01 0.00 -0.04 0.00 0.00 63.50 63.97 3hqo n PRO 113 Cb 0.46 -1.58 0.15 0.00 -0.04 0.00 0.00 33.50 32.48 3hqo n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hqo h ALA 114 N 2.31 1.33 -0.78 0.55 0.00 -1.99 -1.94 119.26 118.74 3hqo h ALA 114 Ca 0.00 -0.06 -0.38 0.00 0.00 0.00 0.00 54.91 54.47 3hqo h ALA 114 Cb 0.19 -0.38 -0.23 0.00 0.00 0.00 0.00 17.79 17.37 3hqo h ALA 114 CO 0.00 0.61 0.48 1.19 0.00 0.00 0.00 179.25 181.53 3hqo n PHE 115 N -4.40 2.42 0.04 0.00 0.99 -1.10 -4.41 117.46 111.00 3hqo n PHE 115 Ca 0.12 -1.50 -0.10 0.00 -0.00 0.00 0.00 57.45 55.97 3hqo n PHE 115 Cb 0.04 -0.78 -0.07 0.00 -1.00 0.00 0.00 39.48 37.66 3hqo n PHE 115 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3hqo h ALA 116 N 1.43 -0.19 -0.00 4.37 0.00 -1.50 -3.27 119.26 120.09 3hqo h ALA 116 Ca 0.47 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hqo h ALA 116 Cb 2.45 0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.31 3hqo h ALA 116 CO 0.85 -0.26 -0.10 -0.25 0.00 0.00 0.00 179.25 179.49 3hqo n ASP 117 N -4.89 0.23 -2.46 0.00 9.92 -1.26 -1.34 116.55 116.75 3hqo n ASP 117 Ca -0.07 -0.18 -0.21 0.00 -0.53 0.00 0.00 54.79 53.80 3hqo n ASP 117 Cb 0.26 -0.19 0.01 0.00 -0.64 0.00 0.00 41.12 40.56 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 -1.23 2.92 -2.62 -1.24 2.85 -1.25 -4.36 118.16 113.23 3hqo n LYS 118 Ca 0.12 -4.15 -0.41 0.00 -1.05 0.00 0.00 58.31 52.82 3hqo n LYS 118 Cb 0.29 -2.02 -0.04 0.00 -0.65 0.00 0.00 35.03 32.60 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 2.94 0.50 2.58 0.00 -1.07 -4.85 107.32 103.94 3hqo s GLY 119 Ca 0.43 0.71 0.05 0.00 0.00 0.00 0.00 44.72 45.90 3hqo s GLY 119 CO -0.10 1.53 0.21 -0.51 0.00 0.00 0.00 173.10 174.23 3hqo s THR 120 N -0.28 1.66 -1.48 0.90 -4.23 0.12 -2.88 115.64 109.45 3hqo s THR 120 Ca 0.47 -1.71 0.08 0.00 -1.18 0.00 0.00 61.69 59.35 3hqo s THR 120 Cb -0.27 -2.37 0.14 0.00 1.34 0.00 0.00 72.50 71.34 3hqo s THR 120 CO 0.33 0.00 1.10 2.29 -0.54 0.00 0.00 174.62 177.80 3hqo n LYS 121 N -1.46 0.12 -0.05 3.99 2.85 -1.26 -2.54 118.16 119.81 3hqo n LYS 121 Ca -0.07 0.20 -0.03 0.00 -1.05 0.00 0.00 58.31 57.36 3hqo n LYS 121 Cb 0.65 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.43 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 -1.26 1.84 -3.65 -5.58 8.00 -1.26 -4.65 116.55 109.99 3hqo n ASP 122 Ca 0.04 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.49 3hqo n ASP 122 Cb 0.06 1.05 -0.06 0.00 -0.02 0.00 0.00 41.12 42.14 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 -2.49 0.65 0.28 -1.24 2.20 -1.05 0.14 119.74 118.21 3hqo s LYS 123 Ca -0.06 1.30 0.06 0.00 -0.36 0.00 0.00 55.97 56.91 3hqo s LYS 123 Cb 0.05 0.41 -0.02 0.00 -1.51 0.00 0.00 37.83 36.76 3hqo s LYS 123 CO 0.54 -0.17 0.23 1.97 -0.36 0.00 0.00 175.35 177.56 3hqo n PHE 124 N 4.75 -0.64 0.00 4.03 -1.74 -0.66 0.13 117.46 123.32 3hqo n PHE 124 Ca -0.17 -2.32 0.00 0.00 -0.56 0.00 0.00 57.45 54.40 3hqo n PHE 124 Cb 0.55 0.24 0.00 0.00 1.52 0.00 0.00 39.48 41.79 3hqo n PHE 124 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 3hqo n TYR 125 N -0.53 0.00 -0.62 2.97 9.36 -1.23 -1.75 117.16 125.35 3hqo n TYR 125 Ca 0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.28 3hqo n TYR 125 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 3hqo n TYR 125 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3hqo n ILE 126 N 0.00 -1.24 0.55 2.97 5.41 -1.26 -2.96 119.36 122.83 3hqo n ILE 126 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.81 3hqo n ILE 126 Cb 0.00 -1.84 0.19 0.00 -0.71 0.00 0.00 39.64 37.27 3hqo n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3hqo n ASP 127 N 0.00 2.49 -4.54 4.38 5.75 -0.96 -4.54 116.55 119.12 3hqo n ASP 127 Ca 0.00 -2.13 -0.42 0.00 -0.01 0.00 0.00 54.79 52.24 3hqo n ASP 127 Cb 0.00 -0.35 -0.03 0.00 -1.03 0.00 0.00 41.12 39.71 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 -1.59 2.66 0.09 2.11 5.04 -1.26 -4.84 117.35 119.55 3hqo s TYR 128 Ca 0.27 -0.99 0.29 0.00 -2.44 0.00 0.00 57.07 54.20 3hqo s TYR 128 Cb 0.16 -4.62 1.57 0.00 0.35 0.00 0.00 41.96 39.42 3hqo s TYR 128 CO 0.16 -1.84 1.88 1.96 -1.34 0.00 0.00 175.55 176.36 3hqo h GLN 129 N 9.51 0.00 -0.61 4.97 1.08 -1.89 0.11 115.11 128.28 3hqo h GLN 129 Ca 0.20 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 3hqo h GLN 129 Cb 1.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 3hqo h GLN 129 CO 1.37 0.00 0.03 -1.71 -0.95 0.00 0.00 178.83 177.57 3hqo n ASN 130 N -2.52 5.62 0.06 1.46 2.85 -1.26 -4.67 115.26 116.80 3hqo n ASN 130 Ca -0.02 -2.96 -0.13 0.00 -0.11 0.00 0.00 54.58 51.37 3hqo n ASN 130 Cb 0.06 -0.69 -0.08 0.00 1.24 0.00 0.00 39.78 40.31 3hqo n ASN 130 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3hqo h LEU 131 N 3.82 -0.07 -1.87 1.20 5.85 -1.17 -3.00 115.31 120.07 3hqo h LEU 131 Ca 0.03 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3hqo h LEU 131 Cb 2.02 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 43.05 3hqo h LEU 131 CO 0.52 0.03 0.13 0.28 -0.34 0.00 0.00 178.44 179.06 3hqo h SER 132 N -0.16 0.15 1.32 1.25 0.02 -1.83 -1.79 113.55 112.52 3hqo h SER 132 Ca -0.01 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 3hqo h SER 132 Cb 0.13 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3hqo h SER 132 CO 0.01 0.11 -0.69 0.11 -1.14 0.00 0.00 176.83 175.23 3hqo h LYS 133 N 0.18 0.00 0.00 3.45 1.57 -1.89 -3.38 116.57 116.50 3hqo h LYS 133 Ca 0.08 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 3hqo h LYS 133 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3hqo h LYS 133 CO -0.01 0.64 -0.66 0.28 -0.57 0.00 0.00 179.45 179.12 3hqo h VAL 134 N 0.00 0.94 -4.24 0.50 2.07 -1.21 -3.48 116.25 110.83 3hqo h VAL 134 Ca -0.01 -1.93 -0.51 0.00 0.82 0.00 0.00 66.70 65.06 3hqo h VAL 134 Cb 1.51 2.00 0.16 0.00 -1.52 0.00 0.00 31.29 33.44 3hqo h VAL 134 CO 0.08 0.32 0.26 0.68 0.02 0.00 0.00 177.57 178.93 3hqo s VAL 135 N -2.22 2.71 0.36 2.57 -7.23 -0.90 -5.06 120.40 110.62 3hqo s VAL 135 Ca -0.21 0.23 0.05 0.00 -1.81 0.00 0.00 61.98 60.24 3hqo s VAL 135 Cb 0.02 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 3hqo s VAL 135 CO 0.50 -0.30 0.20 -0.13 -0.31 0.00 0.00 175.10 175.06 3hqo s ARG 136 N -4.79 1.79 -0.42 4.82 0.52 -1.26 -4.96 118.95 114.65 3hqo s ARG 136 Ca 0.64 -2.06 -0.27 0.00 -0.52 0.00 0.00 55.73 53.52 3hqo s ARG 136 Cb -0.20 -0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.15 3hqo s ARG 136 CO 0.57 -0.56 2.03 -1.25 0.02 0.00 0.00 175.30 176.12 3hqo s PRO 137 N -3.61 2.82 0.00 3.54 0.04 -1.26 -3.37 135.00 133.16 3hqo s PRO 137 Ca 0.33 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.68 3hqo s PRO 137 Cb 0.03 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.20 3hqo s PRO 137 CO 0.21 -2.47 0.00 0.41 0.04 0.00 0.00 177.00 175.19 3hqo n GLY 138 N 5.69 1.91 3.81 0.56 0.00 0.85 -5.03 105.19 112.98 3hqo n GLY 138 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 5.76 -0.06 1.61 0.02 -1.22 -4.86 114.94 114.20 3hqo s ASN 139 Ca 0.00 0.11 -0.15 0.00 -1.02 0.00 0.00 52.86 51.81 3hqo s ASN 139 Cb 0.00 -1.64 -0.05 0.00 0.02 0.00 0.00 41.25 39.58 3hqo s ASN 139 CO 0.00 0.22 0.38 -0.31 0.02 0.00 0.00 177.10 177.40 3hqo s TYR 140 N -1.33 3.63 -0.18 2.20 2.02 -1.26 -0.78 117.35 121.64 3hqo s TYR 140 Ca 0.28 0.86 -0.00 0.00 -0.37 0.00 0.00 57.07 57.84 3hqo s TYR 140 Cb -0.12 -2.32 0.01 0.00 -0.40 0.00 0.00 41.96 39.12 3hqo s TYR 140 CO 0.20 0.48 -0.15 0.42 -1.57 0.00 0.00 175.55 174.93 3hqo s ILE 141 N -0.46 2.54 -0.14 2.71 1.01 -0.78 -4.63 121.20 121.45 3hqo s ILE 141 Ca 0.22 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 3hqo s ILE 141 Cb -0.15 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 3hqo s ILE 141 CO 0.10 0.51 0.17 -0.31 0.00 0.00 0.00 174.94 175.41 3hqo s TYR 142 N 1.18 3.54 0.00 3.97 1.51 -0.58 -1.93 117.35 125.04 3hqo s TYR 142 Ca 0.02 0.52 0.00 0.00 -1.01 0.00 0.00 57.07 56.60 3hqo s TYR 142 Cb -0.14 -2.07 0.00 0.00 -0.11 0.00 0.00 41.96 39.64 3hqo s TYR 142 CO -0.07 0.55 0.00 -0.89 -1.11 0.00 0.00 175.55 174.04 3hqo n ILE 143 N 2.57 0.00 -1.18 2.71 2.08 0.81 -0.95 119.36 125.40 3hqo n ILE 143 Ca -0.18 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.09 3hqo n ILE 143 Cb 0.54 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.39 3hqo n ILE 143 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 3hqo n ASP 144 N 0.00 -0.89 -2.73 4.38 2.03 -1.25 0.20 116.55 118.28 3hqo n ASP 144 Ca 0.00 -1.75 -0.21 0.00 0.52 0.00 0.00 54.79 53.35 3hqo n ASP 144 Cb 0.00 -0.95 0.02 0.00 -0.72 0.00 0.00 41.12 39.47 3hqo n ASP 144 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3hqo n ASP 145 N 9.50 -5.90 -0.99 1.67 9.92 -1.26 -2.63 116.55 126.86 3hqo n ASP 145 Ca 0.14 -0.21 -0.08 0.00 -0.53 0.00 0.00 54.79 54.11 3hqo n ASP 145 Cb 0.48 -4.77 0.00 0.00 -0.64 0.00 0.00 41.12 36.19 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 -1.38 0.13 0.03 0.44 0.00 0.13 -4.91 105.19 99.62 3hqo n GLY 146 Ca -0.14 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.90 0.31 -4.62 -0.61 5.41 -1.08 -4.83 119.36 110.05 3hqo n ILE 147 Ca -0.07 -0.45 -0.33 0.00 1.00 0.00 0.00 62.75 62.90 3hqo n ILE 147 Cb 0.56 -0.09 -0.13 0.00 -0.71 0.00 0.00 39.64 39.27 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 -4.41 2.98 -0.08 1.39 2.96 -1.26 -4.91 118.68 115.34 3hqo s LEU 148 Ca -0.06 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3hqo s LEU 148 Cb 0.09 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 45.10 3hqo s LEU 148 CO 0.65 0.19 -0.15 -0.63 -1.32 0.00 0.00 176.35 175.10 3hqo s ILE 149 N 0.20 1.38 0.21 6.68 1.01 -1.26 -0.13 121.20 129.29 3hqo s ILE 149 Ca -0.05 -0.61 0.10 0.00 0.00 0.00 0.00 60.65 60.09 3hqo s ILE 149 Cb -0.15 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 3hqo s ILE 149 CO 0.04 0.41 -0.20 -0.76 0.00 0.00 0.00 174.94 174.44 3hqo s LEU 150 N 0.74 2.50 -0.22 2.97 1.43 -0.81 -2.20 118.68 123.08 3hqo s LEU 150 Ca -0.12 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.06 3hqo s LEU 150 Cb -0.16 -0.97 0.04 0.00 0.03 0.00 0.00 46.19 45.13 3hqo s LEU 150 CO 0.03 0.01 -0.16 -1.58 0.23 0.00 0.00 176.35 174.87 3hqo s GLN 151 N -3.10 2.66 -0.16 1.70 0.74 -0.17 -1.88 119.66 119.46 3hqo s GLN 151 Ca 0.22 -1.06 -0.29 0.00 0.05 0.00 0.00 55.36 54.28 3hqo s GLN 151 Cb -0.05 -2.72 -0.04 0.00 1.10 0.00 0.00 33.01 31.30 3hqo s GLN 151 CO 0.10 -0.37 1.66 0.08 -0.55 0.00 0.00 175.29 176.21 3hqo s VAL 152 N 1.21 3.62 -0.15 1.34 1.01 0.04 -2.33 120.40 125.14 3hqo s VAL 152 Ca -0.01 0.72 -0.14 0.00 0.00 0.00 0.00 61.98 62.55 3hqo s VAL 152 Cb -0.16 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3hqo s VAL 152 CO -0.09 -0.19 -0.26 0.00 0.00 0.00 0.00 175.10 174.55 3hqo n GLN 153 N 7.51 0.44 -3.94 2.72 1.13 -0.86 -0.11 117.38 124.28 3hqo n GLN 153 Ca 0.19 0.27 -0.09 0.00 -1.94 0.00 0.00 57.00 55.42 3hqo n GLN 153 Cb 0.44 -1.38 -0.09 0.00 0.11 0.00 0.00 30.24 29.31 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 -5.61 0.19 -0.23 1.08 1.04 -1.21 -4.57 113.70 104.39 3hqo s SER 154 Ca -0.22 -0.53 -0.29 0.00 0.48 0.00 0.00 55.95 55.38 3hqo s SER 154 Cb 0.03 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3hqo s SER 154 CO 0.33 -0.49 1.13 -1.00 0.98 0.00 0.00 173.24 174.18 3hqo s HIS 155 N -2.52 3.12 0.00 5.02 3.76 -1.26 -1.07 115.29 122.34 3hqo s HIS 155 Ca -0.06 1.25 -0.24 0.00 -0.15 0.00 0.00 55.06 55.86 3hqo s HIS 155 Cb -0.02 -3.45 -0.18 0.00 1.11 0.00 0.00 32.58 30.04 3hqo s HIS 155 CO -0.04 -0.96 1.31 0.93 -0.85 0.00 0.00 174.74 175.12 3hqo h GLU 156 N 7.91 0.11 0.00 1.40 4.39 -1.66 -3.47 114.58 123.25 3hqo h GLU 156 Ca -0.22 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3hqo h GLU 156 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3hqo h GLU 156 CO 0.99 0.54 0.00 -0.40 -1.16 0.00 0.00 179.01 178.99 3hqo n ASP 157 N -4.78 0.00 -0.10 1.42 5.68 -1.23 -4.96 116.55 112.59 3hqo n ASP 157 Ca -0.08 -0.80 0.00 0.00 -0.50 0.00 0.00 54.79 53.41 3hqo n ASP 157 Cb 0.27 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3hqo n ASP 157 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3hqo n GLU 158 N 0.00 0.25 0.00 0.11 2.13 -1.26 -3.15 120.64 118.71 3hqo n GLU 158 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3hqo n GLU 158 Cb 0.00 -1.02 0.00 0.00 0.27 0.00 0.00 31.44 30.69 3hqo n GLU 158 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3hqo n GLN 159 N -0.33 0.00 -4.24 5.31 6.02 -1.26 -4.90 117.38 117.98 3hqo n GLN 159 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 3hqo n GLN 159 Cb 0.01 -0.47 -0.08 0.00 1.02 0.00 0.00 30.24 30.73 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 -1.00 3.60 -0.02 5.09 2.01 -1.19 -0.68 115.64 123.44 3hqo s THR 160 Ca 0.00 -1.63 0.04 0.00 0.31 0.00 0.00 61.69 60.41 3hqo s THR 160 Cb 0.00 -2.85 -0.00 0.00 0.01 0.00 0.00 72.50 69.65 3hqo s THR 160 CO 0.00 -0.22 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.82 3hqo s LEU 161 N -3.24 1.92 -0.52 4.42 1.43 0.24 -1.70 118.68 121.23 3hqo s LEU 161 Ca 0.29 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 52.91 3hqo s LEU 161 Cb -0.08 -0.73 0.04 0.00 0.03 0.00 0.00 46.19 45.46 3hqo s LEU 161 CO 0.19 0.13 0.82 -0.70 0.23 0.00 0.00 176.35 177.02 3hqo s GLU 162 N -0.07 3.27 0.32 1.70 2.12 -0.23 -2.41 118.70 123.40 3hqo s GLU 162 Ca 0.00 -0.45 0.08 0.00 0.36 0.00 0.00 54.97 54.96 3hqo s GLU 162 Cb -0.08 -4.05 -0.03 0.00 0.26 0.00 0.00 34.13 30.23 3hqo s GLU 162 CO 0.00 -1.35 0.24 0.00 -0.54 0.00 0.00 175.26 173.62 3hqo s THR 164 N -2.30 1.34 0.11 0.00 2.01 -0.98 -2.73 115.64 113.08 3hqo s THR 164 Ca 0.39 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.46 3hqo s THR 164 Cb -0.06 -1.18 -0.06 0.00 0.01 0.00 0.00 72.50 71.22 3hqo s THR 164 CO 0.25 0.39 1.09 -0.69 -0.69 0.00 0.00 174.62 174.98 3hqo s VAL 165 N 0.34 4.16 -0.48 3.82 1.01 0.40 -1.00 120.40 128.65 3hqo s VAL 165 Ca -0.10 1.70 0.18 0.00 0.00 0.00 0.00 61.98 63.77 3hqo s VAL 165 Cb -0.14 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 31.91 3hqo s VAL 165 CO 0.03 0.22 0.61 0.35 0.00 0.00 0.00 175.10 176.31 3hqo n THR 166 N 3.11 0.00 -3.70 3.92 -2.24 -0.93 -1.96 114.28 112.47 3hqo n THR 166 Ca 0.05 -0.23 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 3hqo n THR 166 Cb 0.47 0.58 -0.09 0.00 -2.10 0.00 0.00 70.33 69.19 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 -3.38 -0.41 0.16 3.42 6.03 -1.26 -4.79 114.94 114.72 3hqo s ASN 167 Ca 0.01 0.60 -0.30 0.00 -1.03 0.00 0.00 52.86 52.14 3hqo s ASN 167 Cb 0.13 0.66 -0.07 0.00 -3.03 0.00 0.00 41.25 38.94 3hqo s ASN 167 CO 0.76 -0.33 1.06 -0.44 -2.03 0.00 0.00 177.10 176.12 3hqo s SER 168 N -0.52 7.34 -0.26 3.54 0.01 -1.26 -4.05 113.70 118.50 3hqo s SER 168 Ca -0.06 2.00 -0.27 0.00 1.31 0.00 0.00 55.95 58.93 3hqo s SER 168 Cb -0.03 -2.60 0.17 0.00 0.21 0.00 0.00 66.02 63.76 3hqo s SER 168 CO 0.03 -0.17 1.25 -2.28 0.41 0.00 0.00 173.24 172.48 3hqo s HIS 169 N -0.19 -0.19 -0.15 2.43 5.04 0.84 -4.90 115.29 118.17 3hqo s HIS 169 Ca 0.49 0.41 -0.08 0.00 -1.54 0.00 0.00 55.06 54.33 3hqo s HIS 169 Cb -0.28 0.46 -0.04 0.00 0.04 0.00 0.00 32.58 32.76 3hqo s HIS 169 CO 0.33 -0.13 0.14 0.99 -2.34 0.00 0.00 174.74 173.73 3hqo s THR 170 N -0.49 5.47 0.09 0.89 2.01 -1.26 -1.19 115.64 121.16 3hqo s THR 170 Ca 0.05 0.22 0.09 0.00 0.31 0.00 0.00 61.69 62.35 3hqo s THR 170 Cb -0.03 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 3hqo s THR 170 CO -0.08 0.56 -0.23 0.27 -0.69 0.00 0.00 174.62 174.45 3hqo s ILE 171 N -0.55 1.88 0.00 1.82 -4.36 0.22 -4.93 121.20 115.28 3hqo s ILE 171 Ca 0.13 -1.51 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 3hqo s ILE 171 Cb -0.12 -1.67 0.00 0.00 1.25 0.00 0.00 42.46 41.92 3hqo s ILE 171 CO 0.02 0.08 0.00 -1.20 0.24 0.00 0.00 174.94 174.08 3hqo n SER 172 N 1.27 0.00 -4.86 4.36 7.64 -1.26 -0.30 113.62 120.48 3hqo n SER 172 Ca -0.18 -0.65 -0.31 0.00 1.01 0.00 0.00 58.87 58.73 3hqo n SER 172 Cb 0.53 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.71 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 -1.00 6.50 -0.78 6.43 1.11 -1.26 -4.41 116.67 123.26 3hqo s ASP 173 Ca 0.00 1.45 -0.19 0.00 0.18 0.00 0.00 52.55 53.98 3hqo s ASP 173 Cb 0.00 -2.46 0.03 0.00 1.07 0.00 0.00 42.92 41.55 3hqo s ASP 173 CO 0.00 -0.63 0.37 0.54 1.18 0.00 0.00 175.17 176.63 3hqo n ARG 174 N -1.85 -0.58 -3.33 8.23 1.74 -0.64 -4.94 116.66 115.29 3hqo n ARG 174 Ca 0.06 -0.14 -0.29 0.00 -0.77 0.00 0.00 57.85 56.70 3hqo n ARG 174 Cb 0.54 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.67 3hqo n ARG 174 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hqo s ARG 175 N -6.46 3.65 0.40 5.56 1.81 -1.26 -4.75 118.95 117.90 3hqo s ARG 175 Ca 0.27 0.05 -0.24 0.00 -1.72 0.00 0.00 55.73 54.08 3hqo s ARG 175 Cb -0.15 -2.64 -0.09 0.00 -0.45 0.00 0.00 34.95 31.62 3hqo s ARG 175 CO 0.61 0.22 1.07 0.20 -0.68 0.00 0.00 175.30 176.71 3hqo s GLY 176 N -3.08 2.77 -0.11 -3.53 0.00 -1.26 -0.34 107.32 101.75 3hqo s GLY 176 Ca 0.44 0.75 0.01 0.00 0.00 0.00 0.00 44.72 45.93 3hqo s GLY 176 CO 0.29 1.20 -0.14 0.54 0.00 0.00 0.00 173.10 174.99 3hqo s VAL 177 N -1.60 1.43 -0.10 1.40 0.11 0.03 -3.93 120.40 117.74 3hqo s VAL 177 Ca 0.57 -0.59 -0.04 0.00 -2.93 0.00 0.00 61.98 59.00 3hqo s VAL 177 Cb -0.24 -1.33 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 3hqo s VAL 177 CO 0.30 0.43 0.06 0.20 -3.33 0.00 0.00 175.10 172.75 3hqo s ASN 178 N 1.15 5.67 -0.22 3.54 0.01 -0.13 -4.21 114.94 120.77 3hqo s ASN 178 Ca -0.03 0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 3hqo s ASN 178 Cb -0.14 -1.72 0.06 0.00 0.41 0.00 0.00 41.25 39.85 3hqo s ASN 178 CO -0.04 0.38 -0.04 -0.76 -1.51 0.00 0.00 177.10 175.12 3hqo s LEU 179 N -0.85 2.21 0.12 0.60 1.43 -1.26 -1.52 118.68 119.40 3hqo s LEU 179 Ca 0.13 -1.03 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 3hqo s LEU 179 Cb -0.12 -1.06 -0.07 0.00 0.03 0.00 0.00 46.19 44.97 3hqo s LEU 179 CO 0.03 -0.23 0.55 -2.16 0.23 0.00 0.00 176.35 174.77 3hqo s PRO 180 N 1.50 4.04 0.00 1.29 0.04 -1.26 -4.31 135.00 136.30 3hqo s PRO 180 Ca -0.04 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.57 3hqo s PRO 180 Cb -0.18 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.33 3hqo s PRO 180 CO -0.07 0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.92 3hqo n GLY 181 N 1.12 1.46 0.00 0.56 0.00 -1.26 -4.78 105.19 102.28 3hqo n GLY 181 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.99 -5.10 -4.64 0.00 4.64 -1.26 -4.79 116.55 104.39 3hqo n ASP 183 Ca 0.00 -0.55 -0.42 0.00 -1.38 0.00 0.00 54.79 52.43 3hqo n ASP 183 Cb 0.00 -1.58 -0.03 0.00 -1.04 0.00 0.00 41.12 38.48 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 -2.17 3.32 -1.13 5.18 -7.23 -1.26 -4.88 120.40 112.23 3hqo s VAL 184 Ca 0.20 0.37 -0.20 0.00 -1.81 0.00 0.00 61.98 60.54 3hqo s VAL 184 Cb -0.02 -3.28 -0.06 0.00 0.56 0.00 0.00 36.38 33.58 3hqo s VAL 184 CO 0.88 -0.08 1.93 -0.67 -0.31 0.00 0.00 175.10 176.85 3hqo n ASP 185 N 8.28 3.42 -4.49 4.85 2.03 -1.26 -4.89 116.55 124.49 3hqo n ASP 185 Ca 0.20 -2.76 -0.30 0.00 0.52 0.00 0.00 54.79 52.45 3hqo n ASP 185 Cb 0.43 -1.56 -0.12 0.00 -0.72 0.00 0.00 41.12 39.16 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 5.72 2.72 0.48 -2.67 1.43 -1.26 -5.06 118.68 120.04 3hqo s LEU 186 Ca 0.60 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 53.01 3hqo s LEU 186 Cb 0.06 -1.58 -0.07 0.00 0.03 0.00 0.00 46.19 44.63 3hqo s LEU 186 CO 0.09 0.22 1.31 -2.84 0.23 0.00 0.00 176.35 175.37 3hqo s PRO 187 N -1.79 3.55 0.00 1.29 0.02 -1.26 -4.98 135.00 131.83 3hqo s PRO 187 Ca 0.17 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.33 3hqo s PRO 187 Cb -0.11 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 31.95 3hqo s PRO 187 CO 0.08 -0.84 0.79 0.00 -0.33 0.00 0.00 177.00 176.71 3hqo n ALA 188 N -0.52 -0.35 -3.18 -1.55 0.00 -1.26 -4.28 120.51 109.37 3hqo n ALA 188 Ca 0.07 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.06 3hqo n ALA 188 Cb 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.84 3hqo n ALA 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hqo s VAL 189 N -2.38 5.19 0.92 0.00 0.11 -1.26 -4.38 120.40 118.60 3hqo s VAL 189 Ca 0.00 -1.35 -0.12 0.00 -2.93 0.00 0.00 61.98 57.59 3hqo s VAL 189 Cb 0.00 -4.30 0.15 0.00 -1.53 0.00 0.00 36.38 30.70 3hqo s VAL 189 CO 0.00 -0.81 1.09 -0.94 -3.33 0.00 0.00 175.10 171.11 3hqo s SER 190 N 3.35 3.20 0.18 3.54 1.04 -1.26 -4.82 113.70 118.93 3hqo s SER 190 Ca 0.04 1.50 -0.13 0.00 0.48 0.00 0.00 55.95 57.83 3hqo s SER 190 Cb -0.28 -2.17 0.16 0.00 0.10 0.00 0.00 66.02 63.83 3hqo s SER 190 CO 0.04 -2.81 1.73 0.00 0.98 0.00 0.00 173.24 173.18 3hqo h ALA 191 N -1.67 0.54 -0.92 5.32 0.00 -1.97 -0.45 119.26 120.11 3hqo h ALA 191 Ca -0.50 0.09 0.21 0.00 0.00 0.00 0.00 54.91 54.71 3hqo h ALA 191 Cb 1.29 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 3hqo h ALA 191 CO 0.54 -0.29 0.61 0.87 0.00 0.00 0.00 179.25 180.98 3hqo h LYS 192 N 0.26 0.37 0.00 0.00 1.57 -1.99 -2.58 116.57 114.21 3hqo h LYS 192 Ca 0.23 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.82 3hqo h LYS 192 Cb 0.29 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.53 3hqo h LYS 192 CO -0.29 0.24 -0.67 -0.44 -0.57 0.00 0.00 179.45 177.72 3hqo h ASP 193 N 0.38 0.59 -0.86 0.86 3.32 -1.44 -2.01 116.42 117.26 3hqo h ASP 193 Ca 0.48 -0.76 0.12 0.00 0.02 0.00 0.00 57.03 56.89 3hqo h ASP 193 Cb 1.24 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.55 3hqo h ASP 193 CO -0.18 1.27 0.56 0.03 -1.72 0.00 0.00 179.24 179.20 3hqo h ARG 194 N -0.04 0.71 0.11 3.56 3.08 -1.15 0.99 114.38 121.65 3hqo h ARG 194 Ca -0.09 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3hqo h ARG 194 Cb 1.38 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3hqo h ARG 194 CO 0.13 0.47 -0.05 0.28 -1.07 0.00 0.00 179.97 179.73 3hqo h VAL 195 N 0.74 0.99 -0.55 2.04 2.07 -1.48 -2.67 116.25 117.38 3hqo h VAL 195 Ca 0.41 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 3hqo h VAL 195 Cb 0.58 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3hqo h VAL 195 CO -0.18 0.09 0.28 0.44 0.02 0.00 0.00 177.57 178.22 3hqo h ASP 196 N -0.31 0.70 -0.26 0.57 3.32 -0.10 -2.80 116.42 117.53 3hqo h ASP 196 Ca -0.01 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 3hqo h ASP 196 Cb 0.26 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3hqo h ASP 196 CO 0.02 0.61 0.01 -0.07 -1.72 0.00 0.00 179.24 178.09 3hqo h LEU 197 N 0.74 0.45 -0.95 1.55 3.38 0.84 -2.64 115.31 118.68 3hqo h LEU 197 Ca 0.19 -0.30 0.11 0.00 0.09 0.00 0.00 57.88 57.96 3hqo h LEU 197 Cb 0.08 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 3hqo h LEU 197 CO -0.03 0.64 0.59 -0.61 0.09 0.00 0.00 178.44 179.12 3hqo h GLN 198 N 0.24 0.93 -0.24 1.13 4.15 -1.43 -0.12 115.11 119.77 3hqo h GLN 198 Ca 0.07 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 3hqo h GLN 198 Cb 0.41 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 3hqo h GLN 198 CO 0.01 0.61 -0.02 0.35 -1.93 0.00 0.00 178.83 177.86 3hqo h PHE 199 N 0.95 0.37 -0.26 3.99 3.57 -1.28 -1.96 116.94 122.33 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 0.42 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3hqo h PHE 199 CO -0.02 0.40 -0.03 0.78 -2.23 0.00 0.00 178.31 177.20 3hqo h GLY 200 N 0.70 0.52 1.01 2.40 0.00 -0.69 -2.34 103.07 104.68 3hqo h GLY 200 Ca 0.08 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3hqo h GLY 200 CO 0.01 0.38 0.40 -2.08 0.00 0.00 0.00 176.54 175.24 3hqo h VAL 201 N 0.25 1.23 -0.15 4.60 2.07 -1.01 0.24 116.25 123.47 3hqo h VAL 201 Ca 0.07 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3hqo h VAL 201 Cb 0.48 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3hqo h VAL 201 CO 0.02 0.27 0.04 -0.33 0.02 0.00 0.00 177.57 177.59 3hqo h GLU 202 N 1.05 0.24 0.00 1.57 5.08 -1.34 -3.06 114.58 118.13 3hqo h GLU 202 Ca 0.26 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3hqo h GLU 202 Cb 0.07 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3hqo h GLU 202 CO -0.04 0.37 -0.49 1.96 -1.00 0.00 0.00 179.01 179.81 3hqo h GLN 203 N 0.06 0.00 -0.52 2.33 1.08 -1.36 -3.48 115.11 113.22 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 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3hqo h GLN 203 CO -0.00 0.49 0.00 0.41 -0.95 0.00 0.00 178.83 178.78 3hqo n GLY 204 N 0.80 0.64 3.75 3.46 0.00 0.70 -5.07 105.19 109.47 3hqo n GLY 204 Ca 0.01 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.84 2.43 0.05 1.61 -7.23 -0.41 -4.97 120.40 110.04 3hqo s VAL 205 Ca 0.00 0.30 0.01 0.00 -1.81 0.00 0.00 61.98 60.49 3hqo s VAL 205 Cb 0.00 -3.15 -0.25 0.00 0.56 0.00 0.00 36.38 33.54 3hqo s VAL 205 CO 0.00 -0.02 1.02 0.44 -0.31 0.00 0.00 175.10 176.23 3hqo h ASP 206 N 1.39 0.24 -5.03 4.85 3.32 -1.67 -3.46 116.42 116.06 3hqo h ASP 206 Ca -0.50 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 56.15 3hqo h ASP 206 Cb 1.29 -0.08 -0.18 0.00 0.22 0.00 0.00 39.33 40.59 3hqo h ASP 206 CO 0.57 1.25 -0.21 0.00 -1.72 0.00 0.00 179.24 179.13 3hqo s MET 207 N -2.65 0.81 -0.21 3.56 0.23 -1.19 -3.03 119.30 116.82 3hqo s MET 207 Ca -0.04 -0.37 -0.05 0.00 -1.03 0.00 0.00 55.69 54.20 3hqo s MET 207 Cb 0.08 0.36 -0.02 0.00 -1.53 0.00 0.00 34.83 33.71 3hqo s MET 207 CO 0.85 -0.26 -0.00 0.42 -2.03 0.00 0.00 175.02 174.00 3hqo s ILE 208 N -2.19 3.84 -0.89 3.16 -1.09 0.59 -1.42 121.20 123.19 3hqo s ILE 208 Ca -0.07 -0.35 -0.19 0.00 -2.23 0.00 0.00 60.65 57.82 3hqo s ILE 208 Cb -0.02 -2.74 0.13 0.00 -1.58 0.00 0.00 42.46 38.25 3hqo s ILE 208 CO -0.01 0.42 1.07 -0.36 -1.23 0.00 0.00 174.94 174.83 3hqo s PHE 209 N 1.18 3.15 -0.16 3.97 0.08 0.23 0.03 117.98 126.46 3hqo s PHE 209 Ca 0.03 -1.38 -0.29 0.00 0.12 0.00 0.00 56.93 55.40 3hqo s PHE 209 Cb -0.14 -4.23 -0.02 0.00 -0.57 0.00 0.00 43.02 38.06 3hqo s PHE 209 CO 0.01 -1.44 1.33 0.00 -0.10 0.00 0.00 175.22 175.01 3hqo s ALA 210 N 2.52 3.62 0.50 5.36 0.00 0.56 -2.18 121.76 132.15 3hqo s ALA 210 Ca 0.30 0.49 -0.19 0.00 0.00 0.00 0.00 51.96 52.57 3hqo s ALA 210 Cb -0.07 -3.66 -0.08 0.00 0.00 0.00 0.00 23.12 19.32 3hqo s ALA 210 CO -0.08 -1.27 1.00 -1.12 0.00 0.00 0.00 175.76 174.30 3hqo s SER 211 N 2.28 6.47 -1.54 0.00 0.01 -1.26 -0.57 113.70 119.08 3hqo s SER 211 Ca 0.58 1.75 -0.16 0.00 1.31 0.00 0.00 55.95 59.42 3hqo s SER 211 Cb -0.23 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.61 3hqo s SER 211 CO 0.18 -0.69 0.67 0.49 0.41 0.00 0.00 173.24 174.29 3hqo n PHE 212 N -1.26 -1.72 -1.93 2.43 3.72 -1.22 -4.81 117.46 112.68 3hqo n PHE 212 Ca 0.08 0.67 -0.41 0.00 -0.05 0.00 0.00 57.45 57.74 3hqo n PHE 212 Cb 0.53 -2.76 -0.02 0.00 -0.94 0.00 0.00 39.48 36.30 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 -3.13 2.40 0.00 4.37 -1.09 -1.15 -4.92 121.20 117.69 3hqo s ILE 213 Ca 0.64 0.36 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 3hqo s ILE 213 Cb -0.35 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 3hqo s ILE 213 CO 0.79 0.07 0.00 -2.11 -1.23 0.00 0.00 174.94 172.46 3hqo n ARG 214 N 1.72 3.36 -3.94 2.79 1.85 -1.26 -4.29 116.66 116.90 3hqo n ARG 214 Ca 0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.81 3hqo n ARG 214 Cb 0.40 -0.61 -0.07 0.00 -1.05 0.00 0.00 32.46 31.13 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 -0.76 0.01 0.04 2.89 1.04 -1.26 -3.92 113.70 111.74 3hqo s SER 215 Ca 0.00 -0.83 -0.25 0.00 0.48 0.00 0.00 55.95 55.35 3hqo s SER 215 Cb 0.00 0.45 -0.17 0.00 0.10 0.00 0.00 66.02 66.39 3hqo s SER 215 CO 0.00 -0.90 1.48 0.00 0.98 0.00 0.00 173.24 174.80 3hqo h ALA 216 N 2.52 -0.15 -0.99 5.32 0.00 -1.89 -2.96 119.26 121.12 3hqo h ALA 216 Ca -0.31 -0.13 0.28 0.00 0.00 0.00 0.00 54.91 54.74 3hqo h ALA 216 Cb 1.23 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.94 3hqo h ALA 216 CO 0.47 -0.47 0.55 1.49 0.00 0.00 0.00 179.25 181.29 3hqo h GLU 217 N -0.37 0.42 -0.65 0.00 4.81 -1.97 -0.26 114.58 116.56 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 0.31 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3hqo h GLU 217 CO 0.02 0.28 0.40 0.37 -0.73 0.00 0.00 179.01 179.35 3hqo h GLN 218 N 0.43 0.87 -0.45 1.92 4.15 -1.94 -2.46 115.11 117.63 3hqo h GLN 218 Ca 0.67 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.92 3hqo h GLN 218 Cb 1.41 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.90 3hqo h GLN 218 CO -0.55 0.60 -0.13 0.28 -1.93 0.00 0.00 178.83 177.11 3hqo h VAL 219 N 0.89 1.27 -0.53 2.39 2.07 -1.04 -2.89 116.25 118.41 3hqo h VAL 219 Ca 0.23 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.57 3hqo h VAL 219 Cb -0.05 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 3hqo h VAL 219 CO -0.05 0.43 0.21 1.23 0.02 0.00 0.00 177.57 179.41 3hqo h GLY 220 N 0.71 0.73 1.16 2.17 0.00 -1.37 -1.01 103.07 105.46 3hqo h GLY 220 Ca 0.11 -0.12 0.11 0.00 0.00 0.00 0.00 47.33 47.44 3hqo h GLY 220 CO 0.05 0.02 0.31 -0.55 0.00 0.00 0.00 176.54 176.37 3hqo h ASP 221 N 0.40 0.00 0.08 0.19 3.32 -1.26 0.26 116.42 119.41 3hqo h ASP 221 Ca 0.26 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3hqo h ASP 221 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3hqo h ASP 221 CO -0.25 0.00 -0.04 0.58 -1.72 0.00 0.00 179.24 177.81 3hqo h VAL 222 N 0.00 1.07 -0.48 -1.35 2.07 -1.07 -2.59 116.25 113.89 3hqo h VAL 222 Ca 0.19 -1.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 3hqo h VAL 222 Cb 0.80 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 3hqo h VAL 222 CO -0.00 0.31 0.06 -0.09 0.02 0.00 0.00 177.57 177.87 3hqo h ARG 223 N -0.86 0.75 -0.38 1.57 2.43 -0.81 -0.17 114.38 116.90 3hqo h ARG 223 Ca -0.01 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 3hqo h ARG 223 Cb 0.59 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3hqo h ARG 223 CO 0.02 0.72 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.88 3hqo h LYS 224 N 0.72 0.66 0.00 0.20 3.64 -0.64 -2.66 116.57 118.49 3hqo h LYS 224 Ca 0.15 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 3hqo h LYS 224 Cb 0.35 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3hqo h LYS 224 CO 0.01 0.75 -0.32 0.00 -2.27 0.00 0.00 179.45 177.61 3hqo h ALA 225 N 1.29 0.89 0.00 5.00 0.00 -0.92 -2.87 119.26 122.65 3hqo h ALA 225 Ca 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3hqo h ALA 225 Cb 0.52 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hqo h ALA 225 CO 0.03 0.40 -0.14 -0.07 0.00 0.00 0.00 179.25 179.47 3hqo h LEU 226 N 0.00 0.00 0.00 0.00 3.38 -0.71 -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 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3hqo h LEU 226 CO 0.04 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.33 3hqo n GLY 227 N -0.04 -2.57 0.23 0.83 0.00 -1.09 -3.64 105.19 98.92 3hqo n GLY 227 Ca -0.00 -1.62 0.14 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.20 132.00 128.59 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 0.11 -1.84 1.05 1.79 -1.99 -3.26 116.57 112.42 3hqo h LYS 229 Ca 0.00 -0.04 -0.63 0.00 -2.18 0.00 0.00 60.65 57.79 3hqo h LYS 229 Cb 0.78 -0.01 -0.39 0.00 -1.58 0.00 0.00 32.23 31.03 3hqo h LYS 229 CO 0.00 0.46 -0.30 0.41 -1.08 0.00 0.00 179.45 178.94 3hqo n GLY 230 N -0.41 5.85 0.10 3.86 0.00 -1.21 -4.71 105.19 108.67 3hqo n GLY 230 Ca -0.02 -2.72 -0.03 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 -3.32 114.38 113.96 3hqo h ARG 231 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 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 0.96 0.77 0.00 -0.44 0.10 0.00 0.00 179.97 181.36 3hqo h ASP 232 N 0.00 0.00 -3.41 0.08 3.32 -1.89 -3.45 116.42 111.06 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 1.55 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 0.54 -0.63 -1.72 0.00 0.00 179.24 177.53 3hqo s ILE 233 N -3.18 3.79 0.48 0.35 1.01 -1.25 -5.03 121.20 117.37 3hqo s ILE 233 Ca 0.08 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 38.55 3hqo s ILE 233 CO 0.62 0.20 1.04 -0.04 0.00 0.00 0.00 174.94 176.76 3hqo s MET 234 N 0.14 3.84 -0.34 2.79 -1.94 -1.17 -4.89 119.30 117.73 3hqo s MET 234 Ca 0.54 1.37 0.03 0.00 -1.71 0.00 0.00 55.69 55.92 3hqo s MET 234 Cb -0.31 -2.13 0.10 0.00 2.01 0.00 0.00 34.83 34.50 3hqo s MET 234 CO 0.34 -0.40 0.05 0.42 -0.01 0.00 0.00 175.02 175.42 3hqo s ILE 235 N -1.96 2.13 -0.39 2.53 1.01 -1.26 -0.30 121.20 122.96 3hqo s ILE 235 Ca 0.66 -2.25 -0.19 0.00 0.00 0.00 0.00 60.65 58.88 3hqo s ILE 235 Cb -0.17 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.73 3hqo s ILE 235 CO 0.20 -0.61 0.53 -0.63 0.00 0.00 0.00 174.94 174.44 3hqo s ILE 236 N 0.98 4.98 -0.14 2.92 -1.09 0.11 -1.65 121.20 127.31 3hqo s ILE 236 Ca 0.11 0.14 -0.29 0.00 -2.23 0.00 0.00 60.65 58.37 3hqo s ILE 236 Cb -0.19 -4.04 -0.01 0.00 -1.58 0.00 0.00 42.46 36.64 3hqo s ILE 236 CO -0.10 -0.36 1.07 0.00 -1.23 0.00 0.00 174.94 174.33 3hqo s LYS 238 N 2.50 3.30 -0.55 0.00 1.02 0.26 -0.43 119.74 125.84 3hqo s LYS 238 Ca 0.49 -0.35 -0.28 0.00 0.02 0.00 0.00 55.97 55.85 3hqo s LYS 238 Cb -0.19 -4.06 0.03 0.00 -0.52 0.00 0.00 37.83 33.09 3hqo s LYS 238 CO 0.15 -1.44 1.17 0.42 -0.92 0.00 0.00 175.35 174.72 3hqo s ILE 239 N 3.75 4.08 0.00 2.17 -1.09 -0.43 -2.92 121.20 126.76 3hqo s ILE 239 Ca 0.28 0.96 0.05 0.00 -2.23 0.00 0.00 60.65 59.71 3hqo s ILE 239 Cb -0.13 -4.69 0.08 0.00 -1.58 0.00 0.00 42.46 36.13 3hqo s ILE 239 CO 0.18 -1.25 0.94 -1.84 -1.23 0.00 0.00 174.94 171.74 3hqo n GLU 240 N 8.25 0.00 -4.13 2.79 0.28 -1.26 -3.37 120.64 123.19 3hqo n GLU 240 Ca 0.09 -1.00 -0.12 0.00 -0.16 0.00 0.00 57.16 55.97 3hqo n GLU 240 Cb 0.49 -0.26 -0.08 0.00 1.43 0.00 0.00 31.44 33.03 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 -1.00 0.31 0.14 -1.84 2.20 -1.26 -3.49 114.94 110.00 3hqo s ASN 241 Ca 0.06 -1.29 -0.22 0.00 -0.94 0.00 0.00 52.86 50.47 3hqo s ASN 241 Cb 0.07 0.49 -0.00 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 -0.47 -0.03 1.54 -0.00 -1.95 -3.05 115.15 113.59 3hqo h HIS 242 Ca -0.31 0.03 -0.23 0.00 -0.00 0.00 0.00 60.37 59.85 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 0.63 -0.26 -0.93 -0.56 -0.00 0.00 0.00 177.93 176.80 3hqo h GLN 243 N -0.21 0.55 -1.00 5.26 3.07 -1.94 -3.15 115.11 117.68 3hqo h GLN 243 Ca 0.11 -0.55 0.23 0.00 0.09 0.00 0.00 58.65 58.53 3hqo h GLN 243 Cb 0.38 0.15 -0.09 0.00 0.08 0.00 0.00 27.48 27.99 3hqo h GLN 243 CO -0.29 1.18 0.64 0.78 0.09 0.00 0.00 178.83 181.22 3hqo h GLY 244 N 0.90 1.32 0.82 0.06 0.00 -1.65 0.18 103.07 104.69 3hqo h GLY 244 Ca -0.09 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 3hqo h GLY 244 CO 0.17 -0.10 -0.27 -2.08 0.00 0.00 0.00 176.54 174.26 3hqo h VAL 245 N 0.49 1.35 -0.19 4.60 2.07 -1.53 -2.56 116.25 120.48 3hqo h VAL 245 Ca 0.57 -1.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 3hqo h VAL 245 Cb 1.28 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 3hqo h VAL 245 CO -0.30 0.45 -0.13 -0.61 0.02 0.00 0.00 177.57 177.00 3hqo h GLN 246 N 0.11 0.31 -0.64 1.57 4.15 -0.94 -2.68 115.11 116.99 3hqo h GLN 246 Ca 0.01 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3hqo h GLN 246 Cb 0.85 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.51 3hqo h GLN 246 CO 0.06 0.45 0.00 0.09 -1.93 0.00 0.00 178.83 177.50 3hqo n ASN 247 N -4.25 5.07 -0.33 -0.69 3.02 0.40 -4.68 115.26 113.80 3hqo n ASN 247 Ca -0.00 -2.57 0.20 0.00 -0.03 0.00 0.00 54.58 52.18 3hqo n ASN 247 Cb 0.29 -0.61 0.42 0.00 -0.61 0.00 0.00 39.78 39.26 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 4.14 0.41 0.23 2.41 6.09 -1.09 -2.60 117.51 127.10 3hqo h ILE 248 Ca 0.00 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 3hqo h ILE 248 Cb 1.60 -0.06 -0.04 0.00 0.47 0.00 0.00 36.82 38.80 3hqo h ILE 248 CO 0.30 0.08 -0.48 0.44 -3.07 0.00 0.00 178.15 175.42 3hqo h ASP 249 N 0.43 -1.41 0.60 2.19 3.32 -1.86 0.24 116.42 119.94 3hqo h ASP 249 Ca 0.68 0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.78 3hqo h ASP 249 Cb 1.42 0.50 -0.01 0.00 0.22 0.00 0.00 39.33 41.46 3hqo h ASP 249 CO -0.55 -0.55 -0.38 0.77 -1.72 0.00 0.00 179.24 176.82 3hqo h SER 250 N -0.77 0.00 -0.18 6.45 4.64 -1.87 -2.67 113.55 119.15 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 0.73 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3hqo h SER 250 CO -0.20 0.38 -0.11 0.40 -0.87 0.00 0.00 176.83 176.43 3hqo h ILE 251 N 0.00 1.32 -0.49 0.95 2.04 -1.18 -2.87 117.51 117.28 3hqo h ILE 251 Ca -0.00 -1.19 0.06 0.00 1.00 0.00 0.00 64.86 64.73 3hqo h ILE 251 Cb 0.78 1.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 3hqo h ILE 251 CO 0.05 0.36 0.18 0.40 0.00 0.00 0.00 178.15 179.14 3hqo h ILE 252 N 0.08 0.85 -0.86 -0.67 2.04 -0.78 0.94 117.51 119.11 3hqo h ILE 252 Ca 0.04 -0.13 0.14 0.00 1.00 0.00 0.00 64.86 65.92 3hqo h ILE 252 Cb 0.61 0.45 -0.09 0.00 -0.74 0.00 0.00 36.82 37.05 3hqo h ILE 252 CO 0.03 0.07 0.46 -0.08 0.00 0.00 0.00 178.15 178.63 3hqo h GLU 253 N 0.37 0.64 0.13 2.37 4.57 -1.38 -2.34 114.58 118.94 3hqo h GLU 253 Ca 0.23 -0.04 -0.30 0.00 -1.18 0.00 0.00 59.36 58.07 3hqo h GLU 253 Cb 0.23 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3hqo h GLU 253 CO -0.23 0.42 -1.45 0.93 -1.18 0.00 0.00 179.01 177.51 3hqo h GLU 254 N 0.66 0.28 -7.51 1.92 4.39 -1.23 -3.48 114.58 109.62 3hqo h GLU 254 Ca 0.47 -0.47 -0.48 0.00 0.34 0.00 0.00 59.36 59.21 3hqo h GLU 254 Cb 0.64 0.18 0.09 0.00 -0.10 0.00 0.00 28.75 29.56 3hqo h GLU 254 CO -0.35 1.17 0.40 -1.54 -1.16 0.00 0.00 179.01 177.53 3hqo s SER 255 N -7.07 5.02 0.02 1.42 1.04 0.29 -4.99 113.70 109.43 3hqo s SER 255 Ca -0.08 1.06 0.22 0.00 0.48 0.00 0.00 55.95 57.64 3hqo s SER 255 Cb 0.07 -1.76 -0.02 0.00 0.10 0.00 0.00 66.02 64.40 3hqo s SER 255 CO 0.87 -1.61 0.97 0.47 0.98 0.00 0.00 173.24 174.92 3hqo n ASP 256 N -3.17 0.65 0.00 7.02 10.43 -0.66 -4.90 116.55 125.92 3hqo n ASP 256 Ca 0.07 -0.42 0.00 0.00 2.57 0.00 0.00 54.79 57.01 3hqo n ASP 256 Cb 0.58 0.92 0.00 0.00 1.84 0.00 0.00 41.12 44.47 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 1.41 -0.10 3.29 0.44 0.00 -1.22 -4.20 105.19 104.81 3hqo n GLY 257 Ca 0.02 -0.88 -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 1.91 -0.13 -0.61 -1.09 -0.77 -1.14 121.20 117.37 3hqo s ILE 258 Ca 0.00 -1.22 0.01 0.00 -2.23 0.00 0.00 60.65 57.21 3hqo s ILE 258 Cb 0.00 -1.63 -0.01 0.00 -1.58 0.00 0.00 42.46 39.24 3hqo s ILE 258 CO 0.00 0.37 -0.15 -0.32 -1.23 0.00 0.00 174.94 173.60 3hqo s MET 259 N -1.02 3.29 -1.06 2.79 -2.45 0.43 -0.65 119.30 120.63 3hqo s MET 259 Ca 0.10 -0.73 -0.19 0.00 -1.25 0.00 0.00 55.69 53.61 3hqo s MET 259 Cb -0.09 -2.57 0.10 0.00 1.25 0.00 0.00 34.83 33.51 3hqo s MET 259 CO 0.01 0.16 1.37 0.08 1.05 0.00 0.00 175.02 177.69 3hqo s VAL 260 N 0.47 4.43 -0.90 10.11 1.01 0.08 -1.32 120.40 134.28 3hqo s VAL 260 Ca -0.11 -1.54 -0.25 0.00 0.00 0.00 0.00 61.98 60.09 3hqo s VAL 260 Cb -0.16 -4.95 0.03 0.00 0.00 0.00 0.00 36.38 31.29 3hqo s VAL 260 CO 0.05 -1.74 1.50 0.00 0.00 0.00 0.00 175.10 174.91 3hqo s ALA 261 N 3.47 2.53 0.02 5.51 0.00 -1.22 -3.28 121.76 128.80 3hqo s ALA 261 Ca 0.42 -1.81 0.19 0.00 0.00 0.00 0.00 51.96 50.76 3hqo s ALA 261 Cb -0.02 -4.45 0.49 0.00 0.00 0.00 0.00 23.12 19.15 3hqo s ALA 261 CO -0.06 -3.72 1.64 0.00 0.00 0.00 0.00 175.76 173.62 3hqo h ARG 262 N 10.43 0.00 0.02 0.00 3.08 -1.86 -3.04 114.38 123.02 3hqo h ARG 262 Ca 0.03 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.09 3hqo h ARG 262 Cb 1.03 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.05 3hqo h ARG 262 CO 1.34 0.38 -0.34 0.78 -1.07 0.00 0.00 179.97 181.06 3hqo h GLY 263 N 2.68 -1.21 1.96 0.04 0.00 -1.88 0.20 103.07 104.86 3hqo h GLY 263 Ca -0.00 0.63 -0.14 0.00 0.00 0.00 0.00 47.33 47.82 3hqo h GLY 263 CO 0.05 -0.34 -0.63 -0.55 0.00 0.00 0.00 176.54 175.07 3hqo h ASP 264 N -0.45 0.05 -0.31 0.19 3.32 -1.86 -3.22 116.42 114.15 3hqo h ASP 264 Ca 0.00 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3hqo h ASP 264 Cb 0.47 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3hqo h ASP 264 CO -0.22 0.67 0.07 0.25 -1.72 0.00 0.00 179.24 178.29 3hqo h LEU 265 N 0.03 0.48 0.00 1.55 6.46 -1.38 -1.67 115.31 120.78 3hqo h LEU 265 Ca -0.01 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 3hqo h LEU 265 Cb 1.13 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.93 3hqo h LEU 265 CO 0.09 0.60 0.00 0.61 -0.62 0.00 0.00 178.44 179.11 3hqo n GLY 266 N -0.53 -0.47 0.25 3.75 0.00 0.67 -0.54 105.19 108.33 3hqo n GLY 266 Ca -0.02 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.40 1.16 0.12 1.61 0.31 -1.06 -4.13 118.33 114.94 3hqo n VAL 267 Ca 0.01 -0.35 0.02 0.00 -0.01 0.00 0.00 64.34 64.01 3hqo n VAL 267 Cb 0.02 -1.57 0.39 0.00 -0.91 0.00 0.00 33.84 31.77 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 -0.48 0.22 -6.15 5.55 4.39 -0.38 -3.43 114.58 114.30 3hqo h GLU 268 Ca -0.51 -0.05 -0.59 0.00 0.34 0.00 0.00 59.36 58.55 3hqo h GLU 268 Cb 1.55 -0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 30.03 3hqo h GLU 268 CO -0.23 0.38 -0.76 0.96 -1.16 0.00 0.00 179.01 178.19 3hqo s ILE 269 N -4.69 2.36 0.01 3.13 -4.36 0.30 -4.66 121.20 113.28 3hqo s ILE 269 Ca -0.05 -2.34 -0.31 0.00 -0.26 0.00 0.00 60.65 57.68 3hqo s ILE 269 Cb 0.15 -2.24 -0.10 0.00 1.25 0.00 0.00 42.46 41.52 3hqo s ILE 269 CO 0.73 -0.40 1.94 -2.65 0.24 0.00 0.00 174.94 174.80 3hqo n PRO 270 N -0.50 2.68 -0.37 0.37 -0.02 -1.26 -4.53 135.00 131.37 3hqo n PRO 270 Ca -0.06 0.98 0.29 0.00 -2.02 0.00 0.00 63.50 62.69 3hqo n PRO 270 Cb 0.60 -2.91 0.55 0.00 -0.02 0.00 0.00 33.50 31.72 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 10.10 2.32 -0.18 3.55 0.00 -1.91 0.71 119.26 133.86 3hqo h ALA 271 Ca -0.49 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 3hqo h ALA 271 Cb 1.25 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3hqo h ALA 271 CO 0.94 -0.90 -0.01 1.05 0.00 0.00 0.00 179.25 180.34 3hqo h GLU 272 N 0.24 0.26 0.00 0.00 9.09 -1.94 -2.46 114.58 119.78 3hqo h GLU 272 Ca 0.74 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 60.11 3hqo h GLU 272 Cb 1.99 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 29.04 3hqo h GLU 272 CO -0.47 0.29 0.00 0.87 0.05 0.00 0.00 179.01 179.76 3hqo h LYS 273 N 0.26 0.00 -0.97 1.06 1.57 0.09 -3.02 116.57 115.57 3hqo h LYS 273 Ca 0.06 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.97 3hqo h LYS 273 Cb 0.19 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.41 3hqo h LYS 273 CO 0.00 0.00 0.59 0.28 -0.57 0.00 0.00 179.45 179.75 3hqo h VAL 274 N 0.00 0.86 -0.90 0.50 2.07 -1.46 -0.50 116.25 116.82 3hqo h VAL 274 Ca 0.00 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.23 3hqo h VAL 274 Cb 0.66 -0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 3hqo h VAL 274 CO 0.00 0.16 0.59 0.58 0.02 0.00 0.00 177.57 178.92 3hqo h VAL 275 N 0.89 1.21 -0.11 2.57 2.07 -1.69 -0.13 116.25 121.06 3hqo h VAL 275 Ca 0.50 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 3hqo h VAL 275 Cb 0.57 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3hqo h VAL 275 CO -0.30 0.22 -0.14 0.58 0.02 0.00 0.00 177.57 177.95 3hqo h VAL 276 N 1.20 1.37 -0.33 2.57 2.07 -1.40 -2.98 116.25 118.76 3hqo h VAL 276 Ca 0.34 -1.35 0.07 0.00 0.82 0.00 0.00 66.70 66.58 3hqo h VAL 276 Cb -0.10 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 3hqo h VAL 276 CO -0.08 0.39 -0.15 0.00 0.02 0.00 0.00 177.57 177.74 3hqo h ALA 277 N 0.56 0.10 -0.32 1.67 0.00 -0.87 -2.05 119.26 118.36 3hqo h ALA 277 Ca 0.01 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hqo h ALA 277 Cb 0.69 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 3hqo h ALA 277 CO 0.03 -0.54 -0.46 0.37 0.00 0.00 0.00 179.25 178.65 3hqo h GLN 278 N -0.10 -0.34 -0.59 0.00 4.15 -0.98 0.06 115.11 117.31 3hqo h GLN 278 Ca 0.17 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.72 3hqo h GLN 278 Cb 0.35 0.08 -0.11 0.00 0.21 0.00 0.00 27.48 28.01 3hqo h GLN 278 CO -0.39 -0.22 -0.22 0.87 -1.93 0.00 0.00 178.83 176.94 3hqo h LYS 279 N -0.35 -0.07 0.43 1.69 1.57 -1.34 -1.64 116.57 116.86 3hqo h LYS 279 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3hqo h LYS 279 Cb 0.50 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3hqo h LYS 279 CO -0.48 -0.05 -0.23 0.82 -0.57 0.00 0.00 179.45 178.94 3hqo h ILE 280 N -0.07 0.52 0.39 1.86 2.04 -0.49 -0.72 117.51 121.04 3hqo h ILE 280 Ca 0.27 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.12 3hqo h ILE 280 Cb 0.49 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3hqo h ILE 280 CO -0.64 0.00 -0.30 -0.07 0.00 0.00 0.00 178.15 177.14 3hqo h LEU 281 N -0.62 -0.79 -0.74 1.44 3.38 -0.76 -0.79 115.31 116.44 3hqo h LEU 281 Ca -0.05 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3hqo h LEU 281 Cb 0.49 0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.39 3hqo h LEU 281 CO 0.07 -0.43 -0.52 0.40 0.09 0.00 0.00 178.44 178.06 3hqo h ILE 282 N -0.66 0.00 -0.93 1.22 2.04 -1.29 0.10 117.51 118.00 3hqo h ILE 282 Ca -0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.89 3hqo h ILE 282 Cb 0.55 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.56 3hqo h ILE 282 CO 0.01 0.00 0.57 0.28 0.00 0.00 0.00 178.15 179.02 3hqo h SER 283 N -0.11 0.88 -0.26 1.72 0.02 -1.08 0.13 113.55 114.84 3hqo h SER 283 Ca 0.12 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3hqo h SER 283 Cb 0.42 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3hqo h SER 283 CO -0.75 0.52 0.02 0.11 -1.14 0.00 0.00 176.83 175.60 3hqo h LYS 284 N 0.99 0.56 -0.21 3.45 1.57 0.65 -1.28 116.57 122.30 3hqo h LYS 284 Ca 0.43 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 59.00 3hqo h LYS 284 Cb 0.29 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3hqo h LYS 284 CO -0.21 0.57 -0.22 0.00 -0.57 0.00 0.00 179.45 179.02 3hqo h ASN 286 N 0.20 0.86 -0.25 0.00 -0.26 -0.12 0.37 115.58 116.38 3hqo h ASN 286 Ca 0.03 0.07 -0.17 0.00 -0.56 0.00 0.00 56.30 55.68 3hqo h ASN 286 Cb 0.78 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.94 3hqo h ASN 286 CO 0.05 0.39 -0.47 0.58 -1.06 0.00 0.00 177.43 176.92 3hqo h VAL 287 N 0.88 1.28 0.02 2.81 2.07 -1.24 -3.20 116.25 118.87 3hqo h VAL 287 Ca 0.54 -1.66 -0.21 0.00 0.82 0.00 0.00 66.70 66.19 3hqo h VAL 287 Cb 0.69 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 3hqo h VAL 287 CO -0.32 0.54 -0.95 0.00 0.02 0.00 0.00 177.57 176.87 3hqo h ALA 288 N 0.81 0.44 0.00 1.67 0.00 -1.03 -3.48 119.26 117.67 3hqo h ALA 288 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3hqo h ALA 288 Cb 1.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hqo h ALA 288 CO 0.11 1.00 0.00 0.41 0.00 0.00 0.00 179.25 180.76 3hqo n GLY 289 N 1.05 0.87 3.66 0.00 0.00 0.12 -5.07 105.19 105.81 3hqo n GLY 289 Ca -0.03 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 0.50 1.61 1.02 -1.05 -4.85 119.74 120.40 3hqo s LYS 290 Ca 0.00 -0.13 -0.22 0.00 0.02 0.00 0.00 55.97 55.64 3hqo s LYS 290 Cb 0.00 -3.55 -0.08 0.00 -0.52 0.00 0.00 37.83 33.68 3hqo s LYS 290 CO 0.00 0.00 1.12 -0.35 -0.92 0.00 0.00 175.35 175.20 3hqo n PRO 291 N 4.44 1.42 -5.01 -1.68 -0.04 -1.26 -4.49 135.00 128.38 3hqo n PRO 291 Ca -0.13 0.52 -0.28 0.00 -0.04 0.00 0.00 63.50 63.57 3hqo n PRO 291 Cb 0.52 -2.26 -0.16 0.00 -0.04 0.00 0.00 33.50 31.56 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 1.65 -0.16 0.52 0.11 -1.26 -1.85 120.40 118.08 3hqo s VAL 292 Ca 0.68 -0.86 -0.00 0.00 -2.93 0.00 0.00 61.98 58.86 3hqo s VAL 292 Cb -0.48 -1.40 -0.00 0.00 -1.53 0.00 0.00 36.38 32.97 3hqo s VAL 292 CO 0.53 0.47 -0.14 -0.63 -3.33 0.00 0.00 175.10 172.00 3hqo s ILE 293 N -0.21 2.80 -0.09 7.04 1.01 0.18 -1.85 121.20 130.07 3hqo s ILE 293 Ca 0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 3hqo s ILE 293 Cb -0.11 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 3hqo s ILE 293 CO 0.01 0.51 0.27 0.00 0.00 0.00 0.00 174.94 175.73 3hqo s ALA 295 N -0.61 -0.91 0.00 0.00 0.00 -1.20 -1.38 121.76 117.66 3hqo s ALA 295 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3hqo s ALA 295 Cb -0.14 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.76 3hqo s ALA 295 CO 0.07 -0.72 0.00 2.41 0.00 0.00 0.00 175.76 177.52 3hqo n THR 296 N -0.28 -1.35 -1.56 0.00 -1.04 -1.25 -3.45 114.28 105.35 3hqo n THR 296 Ca -0.13 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.69 3hqo n THR 296 Cb 0.63 -1.35 -0.08 0.00 -1.82 0.00 0.00 70.33 67.71 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 0.77 -1.47 0.05 -2.82 6.02 -1.26 -4.82 117.38 113.85 3hqo n GLN 297 Ca 0.00 1.16 -0.04 0.00 -0.01 0.00 0.00 57.00 58.10 3hqo n GLN 297 Cb 0.00 -5.53 0.17 0.00 1.02 0.00 0.00 30.24 25.89 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 0.38 -0.27 -1.09 2.86 -1.88 -3.26 114.93 111.68 3hqo h MET 298 Ca -0.39 -0.19 -0.23 0.00 -2.06 0.00 0.00 59.70 56.82 3hqo h MET 298 Cb 1.30 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 32.64 3hqo h MET 298 CO 0.58 0.73 -0.90 1.28 1.06 0.00 0.00 176.91 179.66 3hqo n LEU 299 N -4.02 2.33 -0.31 1.22 4.77 -1.26 -4.62 117.00 115.11 3hqo n LEU 299 Ca -0.02 -3.26 0.03 0.00 -0.03 0.00 0.00 56.01 52.73 3hqo n LEU 299 Cb 0.50 -0.05 0.10 0.00 -2.33 0.00 0.00 43.42 41.64 3hqo n LEU 299 CO 0.43 1.17 0.67 -0.08 -1.33 0.00 0.00 177.39 178.26 3hqo h GLU 300 N 1.69 -0.01 0.00 3.23 4.57 -1.95 0.59 114.58 122.69 3hqo h GLU 300 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3hqo h GLU 300 Cb 1.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 3hqo h GLU 300 CO 0.23 -0.01 0.00 -1.13 -1.18 0.00 0.00 179.01 176.93 3hqo n SER 301 N -5.55 0.00 -0.66 1.04 3.41 -1.26 -1.40 113.62 109.20 3hqo n SER 301 Ca 0.12 0.42 0.04 0.00 -0.26 0.00 0.00 58.87 59.19 3hqo n SER 301 Cb 0.44 -0.44 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.44 1.88 0.16 4.33 2.81 0.20 -1.01 117.12 124.05 3hqo n MET 302 Ca 0.01 -1.06 0.12 0.00 -1.81 0.00 0.00 57.70 54.97 3hqo n MET 302 Cb 0.05 -1.38 0.16 0.00 -0.71 0.00 0.00 33.22 31.34 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 1.59 0.00 0.00 2.03 2.02 -1.42 -3.37 112.91 113.77 3hqo h THR 303 Ca 0.00 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.30 3hqo h THR 303 Cb 0.57 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 3hqo h THR 303 CO 0.05 0.00 -0.72 -1.22 0.37 0.00 0.00 175.52 174.00 3hqo n TYR 304 N -2.78 -0.02 -3.46 3.16 4.02 -1.04 -2.68 117.16 114.36 3hqo n TYR 304 Ca 0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.70 3hqo n TYR 304 Cb 0.51 0.02 -0.01 0.00 -0.02 0.00 0.00 39.34 39.84 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 -5.25 6.22 0.00 7.72 -0.87 -0.18 -4.92 114.94 117.66 3hqo s ASN 305 Ca 0.00 0.31 0.23 0.00 -1.57 0.00 0.00 52.86 51.83 3hqo s ASN 305 Cb 0.00 -1.89 0.87 0.00 -0.02 0.00 0.00 41.25 40.21 3hqo s ASN 305 CO 0.00 -0.31 1.62 -0.81 -2.57 0.00 0.00 177.10 175.03 3hqo n PRO 306 N -1.74 1.66 -3.76 -0.60 -0.04 -1.26 -4.25 135.00 125.01 3hqo n PRO 306 Ca -0.05 -0.98 -0.15 0.00 -0.04 0.00 0.00 63.50 62.28 3hqo n PRO 306 Cb 0.57 -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 -1.86 -0.03 0.72 0.54 0.52 -1.26 -4.93 118.95 112.65 3hqo s ARG 307 Ca 0.34 0.22 -0.11 0.00 -0.52 0.00 0.00 55.73 55.66 3hqo s ARG 307 Cb 0.18 -0.26 0.03 0.00 0.52 0.00 0.00 34.95 35.42 3hqo s ARG 307 CO 0.28 -0.18 1.07 -1.25 0.02 0.00 0.00 175.30 175.24 3hqo s PRO 308 N 1.16 2.68 0.76 3.54 0.04 -1.26 -4.80 135.00 137.13 3hqo s PRO 308 Ca -0.08 1.04 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 3hqo s PRO 308 Cb -0.13 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.50 3hqo s PRO 308 CO -0.03 -1.30 1.11 0.95 0.04 0.00 0.00 177.00 177.77 3hqo s THR 309 N -2.99 3.06 0.33 1.26 -4.23 -1.26 -4.86 115.64 106.94 3hqo s THR 309 Ca 0.59 0.34 0.30 0.00 -1.18 0.00 0.00 61.69 61.75 3hqo s THR 309 Cb -0.15 -3.25 0.32 0.00 1.34 0.00 0.00 72.50 70.76 3hqo s THR 309 CO 0.55 -0.45 2.05 0.03 -0.54 0.00 0.00 174.62 176.26 3hqo h ARG 310 N -0.89 0.00 -0.04 3.99 2.47 -1.99 -1.18 114.38 116.74 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 0.10 -0.08 0.00 0.56 0.00 0.00 179.97 181.18 3hqo h ALA 311 N 1.90 0.06 -0.64 0.04 0.00 -1.99 -2.72 119.26 115.90 3hqo h ALA 311 Ca -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3hqo h ALA 311 Cb 0.41 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3hqo h ALA 311 CO 0.01 -0.09 0.30 0.93 0.00 0.00 0.00 179.25 180.40 3hqo h GLU 312 N -0.40 0.93 0.59 0.00 5.08 -1.59 -0.22 114.58 118.96 3hqo h GLU 312 Ca 0.00 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3hqo h GLU 312 Cb 0.65 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3hqo h GLU 312 CO 0.02 0.75 -0.50 0.28 -1.00 0.00 0.00 179.01 178.56 3hqo h VAL 313 N 0.89 0.02 -0.99 3.13 2.07 -1.36 -2.62 116.25 117.38 3hqo h VAL 313 Ca 0.22 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.93 3hqo h VAL 313 Cb 0.13 0.02 -0.18 0.00 -1.52 0.00 0.00 31.29 29.74 3hqo h VAL 313 CO -0.03 0.00 -0.26 -0.24 0.02 0.00 0.00 177.57 177.06 3hqo n SER 314 N -5.58 -0.39 0.28 0.57 2.88 -0.86 -1.55 113.62 108.96 3hqo n SER 314 Ca -0.13 1.71 -0.18 0.00 -1.33 0.00 0.00 58.87 58.94 3hqo n SER 314 Cb 0.47 -0.50 -0.09 0.00 -0.75 0.00 0.00 64.21 63.34 3hqo n SER 314 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 3hqo h ASP 315 N 0.00 -1.34 -0.29 -3.46 3.58 -0.84 0.30 116.42 114.38 3hqo h ASP 315 Ca 0.46 0.11 0.06 0.00 0.42 0.00 0.00 57.03 58.08 3hqo h ASP 315 Cb 0.71 0.44 -0.08 0.00 1.72 0.00 0.00 39.33 42.12 3hqo h ASP 315 CO -1.02 -0.64 -0.36 0.58 -2.88 0.00 0.00 179.24 174.92 3hqo h VAL 316 N -0.97 0.21 0.73 2.25 2.07 -0.91 0.15 116.25 119.77 3hqo h VAL 316 Ca -0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 3hqo h VAL 316 Cb 0.85 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3hqo h VAL 316 CO -0.07 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.16 3hqo h ALA 317 N 0.52 -0.99 -0.70 1.67 0.00 -1.29 -2.39 119.26 116.09 3hqo h ALA 317 Ca 0.13 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 55.01 3hqo h ALA 317 Cb 0.56 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3hqo h ALA 317 CO -0.48 -1.06 0.49 -0.91 0.00 0.00 0.00 179.25 177.29 3hqo h ASN 318 N -0.99 0.10 -0.42 0.00 2.35 -0.10 0.15 115.58 116.67 3hqo h ASN 318 Ca -0.10 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 3hqo h ASN 318 Cb 0.76 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 3hqo h ASN 318 CO 0.16 0.05 0.10 0.00 -1.65 0.00 0.00 177.43 176.09 3hqo h ALA 319 N 1.66 0.56 -0.63 -0.83 0.00 -0.32 -0.61 119.26 119.08 3hqo h ALA 319 Ca 0.34 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3hqo h ALA 319 Cb 1.18 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3hqo h ALA 319 CO -0.04 0.23 0.18 0.28 0.00 0.00 0.00 179.25 179.90 3hqo h VAL 320 N 0.54 1.24 -0.86 0.00 2.07 -0.27 -2.37 116.25 116.61 3hqo h VAL 320 Ca 0.13 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3hqo h VAL 320 Cb 0.31 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3hqo h VAL 320 CO 0.00 0.33 0.50 -0.26 0.02 0.00 0.00 177.57 178.16 3hqo h PHE 321 N 0.94 1.15 0.00 1.57 0.04 -1.03 -2.63 116.94 116.98 3hqo h PHE 321 Ca 0.21 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 3hqo h PHE 321 Cb 0.30 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 38.08 3hqo h PHE 321 CO 0.02 0.78 -0.01 -0.91 -0.60 0.00 0.00 178.31 177.59 3hqo h ASN 322 N 1.19 0.00 0.00 2.17 -0.26 -0.58 -3.46 115.58 114.64 3hqo h ASN 322 Ca 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.05 3hqo h ASN 322 Cb -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 3hqo h ASN 322 CO -0.05 0.01 0.00 0.61 -1.06 0.00 0.00 177.43 176.94 3hqo n GLY 323 N -0.98 1.29 3.70 2.83 0.00 -0.99 -4.57 105.19 106.48 3hqo n GLY 323 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.86 1.65 0.05 4.61 0.00 -1.08 -4.91 120.51 119.98 3hqo n ALA 324 Ca 0.00 0.40 -0.20 0.00 0.00 0.00 0.00 53.44 53.63 3hqo n ALA 324 Cb 0.00 -2.35 -0.12 0.00 0.00 0.00 0.00 19.45 16.98 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 4.44 0.73 -4.03 0.00 5.19 -1.73 -3.45 116.42 117.57 3hqo h ASP 325 Ca -0.46 -0.81 -0.49 0.00 -0.62 0.00 0.00 57.03 54.65 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 0.77 1.46 -0.81 0.00 -3.12 0.00 0.00 179.24 177.54 3hqo s VAL 327 N -0.10 3.71 -0.05 0.00 -7.23 -0.89 -0.57 120.40 115.27 3hqo s VAL 327 Ca 0.01 -0.46 0.04 0.00 -1.81 0.00 0.00 61.98 59.76 3hqo s VAL 327 Cb -0.08 -2.54 -0.00 0.00 0.56 0.00 0.00 36.38 34.32 3hqo s VAL 327 CO 0.00 0.58 -0.18 -0.32 -0.31 0.00 0.00 175.10 174.87 3hqo s MET 328 N -0.56 1.99 -0.19 4.82 0.00 -0.48 -1.67 119.30 123.22 3hqo s MET 328 Ca 0.08 -0.65 -0.14 0.00 0.00 0.00 0.00 55.69 54.98 3hqo s MET 328 Cb -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 34.83 32.98 3hqo s MET 328 CO 0.02 0.23 0.31 -0.51 0.00 0.00 0.00 175.02 175.07 3hqo s LEU 329 N 0.11 4.19 0.00 4.11 1.43 0.13 -3.84 118.68 124.81 3hqo s LEU 329 Ca -0.06 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 3hqo s LEU 329 Cb -0.13 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.71 3hqo s LEU 329 CO 0.03 0.03 0.00 -1.20 0.23 0.00 0.00 176.35 175.44 3hqo n SER 330 N 4.00 0.00 0.30 2.29 7.64 -1.26 -1.99 113.62 124.59 3hqo n SER 330 Ca -0.11 0.00 0.20 0.00 1.01 0.00 0.00 58.87 59.97 3hqo n SER 330 Cb 0.52 0.00 0.95 0.00 -1.01 0.00 0.00 64.21 64.66 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 1.62 0.23 0.00 -1.96 -2.85 103.07 100.10 3hqo h GLY 331 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 3hqo h GLY 331 CO 0.00 0.00 0.18 0.83 0.00 0.00 0.00 176.54 177.55 3hqo h GLU 332 N 0.00 0.21 0.00 4.80 3.07 -1.90 -2.58 114.58 118.18 3hqo h GLU 332 Ca 0.00 -0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.67 3hqo h GLU 332 Cb 0.22 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 3hqo h GLU 332 CO 0.00 0.14 -1.68 0.25 -1.40 0.00 0.00 179.01 176.32 3hqo n THR 333 N -4.49 0.68 -0.13 1.13 -2.24 -1.16 -3.77 114.28 104.30 3hqo n THR 333 Ca 0.02 -0.39 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 3hqo n THR 333 Cb 0.19 -0.78 0.01 0.00 -2.10 0.00 0.00 70.33 67.64 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 0.38 0.51 0.00 6.98 0.00 -1.28 -3.34 119.26 122.51 3hqo h ALA 334 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hqo h ALA 334 Cb 1.57 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3hqo h ALA 334 CO 0.00 -0.06 0.00 0.36 0.00 0.00 0.00 179.25 179.55 3hqo n LYS 335 N -4.83 1.05 -1.22 0.00 2.85 -0.99 -2.20 118.16 112.82 3hqo n LYS 335 Ca 0.01 -0.83 -0.32 0.00 -1.05 0.00 0.00 58.31 56.12 3hqo n LYS 335 Cb 0.04 -0.70 0.11 0.00 -0.65 0.00 0.00 35.03 33.83 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 -0.36 1.89 0.19 2.58 0.00 -1.11 -4.90 107.32 105.60 3hqo s GLY 336 Ca 0.00 0.53 0.14 0.00 0.00 0.00 0.00 44.72 45.39 3hqo s GLY 336 CO 0.00 0.91 1.23 0.50 0.00 0.00 0.00 173.10 175.74 3hqo h LYS 337 N -0.98 0.00 -3.01 2.90 1.57 -1.73 -3.41 116.57 111.92 3hqo h LYS 337 Ca -0.45 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.72 3hqo h LYS 337 Cb 1.26 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 33.15 3hqo h LYS 337 CO 0.49 0.52 -0.61 0.66 -0.57 0.00 0.00 179.45 179.94 3hqo n TYR 338 N -3.15 2.90 0.12 -1.35 4.01 -1.26 -4.92 117.16 113.51 3hqo n TYR 338 Ca -0.02 -4.23 0.04 0.00 -0.16 0.00 0.00 57.90 53.54 3hqo n TYR 338 Cb 0.81 -0.55 0.01 0.00 -0.31 0.00 0.00 39.34 39.30 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 0.19 -0.72 0.13 -1.80 -2.48 132.00 132.70 3hqo h PRO 339 Ca 0.16 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.94 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 0.69 0.32 -1.76 -0.91 -0.23 0.00 0.00 178.00 176.11 3hqo h ASN 340 N 0.00 0.62 -0.18 1.44 2.35 -1.92 -3.31 115.58 114.58 3hqo h ASN 340 Ca -0.04 -0.94 -0.08 0.00 -0.55 0.00 0.00 56.30 54.69 3hqo h ASN 340 Cb 1.34 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 3hqo h ASN 340 CO 0.04 1.80 -0.14 -0.33 -1.65 0.00 0.00 177.43 177.15 3hqo h GLU 341 N 0.10 0.56 -0.07 0.81 3.07 -1.97 -1.97 114.58 115.11 3hqo h GLU 341 Ca -0.35 -0.17 -0.10 0.00 -0.50 0.00 0.00 59.36 58.24 3hqo h GLU 341 Cb 2.10 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.94 3hqo h GLU 341 CO 0.17 0.69 -0.41 -0.24 -1.40 0.00 0.00 179.01 177.82 3hqo h VAL 342 N 0.51 1.31 0.07 3.13 3.04 -1.60 -2.37 116.25 120.35 3hqo h VAL 342 Ca 0.09 -1.48 -0.21 0.00 -1.01 0.00 0.00 66.70 64.09 3hqo h VAL 342 Cb 0.54 1.71 0.02 0.00 -2.01 0.00 0.00 31.29 31.55 3hqo h VAL 342 CO 0.03 0.44 -0.85 0.58 -1.01 0.00 0.00 177.57 176.76 3hqo h VAL 343 N 0.14 1.40 -0.20 1.51 2.07 -1.58 -2.99 116.25 116.60 3hqo h VAL 343 Ca 0.01 -2.31 0.03 0.00 0.82 0.00 0.00 66.70 65.26 3hqo h VAL 343 Cb 0.78 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 33.29 3hqo h VAL 343 CO 0.06 0.68 -0.00 1.56 0.02 0.00 0.00 177.57 179.88 3hqo h GLN 344 N -0.04 0.06 -0.62 1.57 4.20 -1.35 -0.40 115.11 118.52 3hqo h GLN 344 Ca -0.13 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.60 3hqo h GLN 344 Cb 1.58 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.32 3hqo h GLN 344 CO 0.16 0.04 0.41 1.88 -0.67 0.00 0.00 178.83 180.65 3hqo h TYR 345 N 0.06 0.73 -0.21 2.96 0.05 -1.52 -0.41 116.97 118.63 3hqo h TYR 345 Ca 0.09 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.77 3hqo h TYR 345 Cb 0.12 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.61 3hqo h TYR 345 CO -0.18 0.44 -0.33 1.98 -1.05 0.00 0.00 178.16 179.03 3hqo h MET 346 N 0.77 0.59 -0.89 4.88 4.05 -1.29 -0.67 114.93 122.37 3hqo h MET 346 Ca 0.24 -0.36 0.01 0.00 -0.28 0.00 0.00 59.70 59.32 3hqo h MET 346 Cb 0.01 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.80 3hqo h MET 346 CO -0.06 0.96 0.59 0.00 0.23 0.00 0.00 176.91 178.63 3hqo h ALA 347 N 0.62 1.38 -0.17 0.39 0.00 -0.64 -0.38 119.26 120.45 3hqo h ALA 347 Ca 0.02 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3hqo h ALA 347 Cb 0.91 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hqo h ALA 347 CO 0.08 0.57 -0.45 -0.09 0.00 0.00 0.00 179.25 179.35 3hqo h ARG 348 N 1.19 0.61 -0.48 0.00 2.43 -1.03 -1.79 114.38 115.32 3hqo h ARG 348 Ca 0.33 -0.43 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 3hqo h ARG 348 Cb -0.11 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3hqo h ARG 348 CO -0.08 1.05 0.10 0.82 -1.51 0.00 0.00 179.97 180.35 3hqo h ILE 349 N 0.28 1.21 -0.13 1.20 2.04 -0.96 -2.36 117.51 118.80 3hqo h ILE 349 Ca -0.01 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 3hqo h ILE 349 Cb 1.07 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3hqo h ILE 349 CO 0.10 0.29 0.05 0.00 0.00 0.00 0.00 178.15 178.58 3hqo h LEU 351 N 0.05 -0.43 -0.32 0.00 3.38 -1.22 -0.81 115.31 115.96 3hqo h LEU 351 Ca 0.04 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3hqo h LEU 351 Cb 0.17 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3hqo h LEU 351 CO -0.00 -0.18 0.16 -0.08 0.09 0.00 0.00 178.44 178.43 3hqo h GLU 352 N -0.17 0.33 -0.52 1.13 4.57 -1.33 0.17 114.58 118.77 3hqo h GLU 352 Ca 0.09 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3hqo h GLU 352 Cb 0.30 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3hqo h GLU 352 CO -0.23 0.22 0.30 0.00 -1.18 0.00 0.00 179.01 178.12 3hqo h ALA 353 N 1.16 0.66 -0.40 2.92 0.00 -1.18 -2.28 119.26 120.14 3hqo h ALA 353 Ca 0.13 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3hqo h ALA 353 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3hqo h ALA 353 CO -0.09 0.16 -0.09 0.37 0.00 0.00 0.00 179.25 179.60 3hqo h GLN 354 N 0.69 0.70 -0.15 0.00 4.15 -0.36 -2.83 115.11 117.32 3hqo h GLN 354 Ca 0.18 -0.21 -0.19 0.00 0.77 0.00 0.00 58.65 59.20 3hqo h GLN 354 Cb 0.01 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.63 3hqo h GLN 354 CO -0.03 0.78 -0.68 0.77 -1.93 0.00 0.00 178.83 177.73 3hqo h SER 355 N 0.64 0.70 -0.32 -0.69 0.02 -0.59 -3.06 113.55 110.25 3hqo h SER 355 Ca 0.11 -0.43 -0.10 0.00 -0.84 0.00 0.00 61.79 60.53 3hqo h SER 355 Cb 0.53 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 3hqo h SER 355 CO 0.03 1.19 0.13 0.00 -1.14 0.00 0.00 176.83 177.04 3hqo n ALA 356 N -2.55 3.41 -2.54 3.77 0.00 -0.87 -4.85 120.51 116.89 3hqo n ALA 356 Ca -0.05 -0.98 -0.29 0.00 0.00 0.00 0.00 53.44 52.12 3hqo n ALA 356 Cb 0.69 -1.12 -0.10 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 -1.23 2.88 -0.59 0.00 2.96 -1.09 -5.02 118.68 116.59 3hqo s LEU 357 Ca 0.23 -0.51 -0.10 0.00 -0.22 0.00 0.00 54.13 53.52 3hqo s LEU 357 Cb 0.18 -1.67 0.15 0.00 0.50 0.00 0.00 46.19 45.36 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 -2.35 5.95 0.41 3.68 2.47 -1.26 -4.93 114.94 118.91 3hqo s ASN 358 Ca 0.21 -2.23 0.14 0.00 0.42 0.00 0.00 52.86 51.40 3hqo s ASN 358 Cb -0.10 -2.06 0.89 0.00 -1.45 0.00 0.00 41.25 38.52 3hqo s ASN 358 CO 0.13 -0.64 1.92 -0.33 -3.72 0.00 0.00 177.10 174.45 3hqo h GLU 359 N 8.13 0.00 -0.91 0.43 3.07 -1.92 -2.60 114.58 120.79 3hqo h GLU 359 Ca -0.12 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 58.87 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 0.27 0.58 -0.92 -1.40 0.00 0.00 179.01 178.38 3hqo h TYR 360 N 0.00 0.91 -0.12 4.33 3.20 -1.92 -0.87 116.97 122.50 3hqo h TYR 360 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3hqo h TYR 360 Cb 0.48 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 3hqo h TYR 360 CO 0.00 0.35 0.02 0.28 -1.64 0.00 0.00 178.16 177.17 3hqo h VAL 361 N 0.78 1.22 -0.92 1.81 2.07 -1.86 -2.57 116.25 116.78 3hqo h VAL 361 Ca 0.45 -0.69 0.12 0.00 0.82 0.00 0.00 66.70 67.40 3hqo h VAL 361 Cb 0.62 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 3hqo h VAL 361 CO -0.21 0.20 0.59 0.15 0.02 0.00 0.00 177.57 178.32 3hqo h PHE 362 N -0.03 0.96 0.23 1.57 3.57 -1.37 -0.08 116.94 121.79 3hqo h PHE 362 Ca 0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3hqo h PHE 362 Cb 0.29 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3hqo h PHE 362 CO 0.02 0.40 -0.11 0.35 -2.23 0.00 0.00 178.31 176.73 3hqo h PHE 363 N 0.85 -0.28 -0.46 0.41 3.57 -1.00 -2.12 116.94 117.90 3hqo h PHE 363 Ca 0.45 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.92 3hqo h PHE 363 Cb 0.53 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3hqo h PHE 363 CO -0.00 -0.01 0.19 -0.91 -2.23 0.00 0.00 178.31 175.35 3hqo h ASN 364 N -0.55 0.63 -0.30 0.41 2.35 -1.06 -1.89 115.58 115.17 3hqo h ASN 364 Ca -0.03 -0.16 0.03 0.00 -0.55 0.00 0.00 56.30 55.59 3hqo h ASN 364 Cb 0.40 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 3hqo h ASN 364 CO 0.05 0.62 0.11 0.28 -1.65 0.00 0.00 177.43 176.84 3hqo h SER 365 N 0.61 0.13 -0.17 5.81 0.02 -1.03 -0.35 113.55 118.56 3hqo h SER 365 Ca 0.16 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3hqo h SER 365 Cb 0.18 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3hqo h SER 365 CO -0.01 0.11 0.06 0.40 -1.14 0.00 0.00 176.83 176.25 3hqo h ILE 366 N 0.25 1.17 -0.76 3.27 2.04 -1.35 -2.96 117.51 119.17 3hqo h ILE 366 Ca 0.13 -0.53 0.08 0.00 1.00 0.00 0.00 64.86 65.55 3hqo h ILE 366 Cb 0.10 1.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 3hqo h ILE 366 CO -0.13 0.16 0.43 0.50 0.00 0.00 0.00 178.15 179.11 3hqo h LYS 367 N 0.12 0.72 -0.99 2.37 3.64 -1.13 -2.20 116.57 119.10 3hqo h LYS 367 Ca 0.06 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 3hqo h LYS 367 Cb 0.20 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 31.78 3hqo h LYS 367 CO -0.00 0.48 0.63 0.87 -2.27 0.00 0.00 179.45 179.16 3hqo h LYS 368 N 0.75 1.03 -0.88 1.90 6.56 -0.92 -2.68 116.57 122.33 3hqo h LYS 368 Ca 0.35 -0.06 -0.11 0.00 -1.06 0.00 0.00 60.65 59.77 3hqo h LYS 368 Cb 0.28 -0.23 -0.07 0.00 -0.57 0.00 0.00 32.23 31.64 3hqo h LYS 368 CO -0.22 0.68 0.14 1.28 -2.06 0.00 0.00 179.45 179.27 3hqo n LEU 369 N -4.56 4.04 -4.79 2.94 4.77 -0.83 -4.85 117.00 113.72 3hqo n LEU 369 Ca 0.17 -2.08 -0.36 0.00 -0.03 0.00 0.00 56.01 53.71 3hqo n LEU 369 Cb 0.28 -0.63 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 3hqo n LEU 369 CO 0.30 0.59 -0.21 -1.10 -1.33 0.00 0.00 177.39 175.63 3hqo s GLN 370 N -1.78 3.48 -0.26 3.23 -1.52 -1.01 -5.05 119.66 116.74 3hqo s GLN 370 Ca 0.28 -0.23 -0.29 0.00 -1.95 0.00 0.00 55.36 53.17 3hqo s GLN 370 Cb 0.22 -3.13 -0.02 0.00 -0.22 0.00 0.00 33.01 29.87 3hqo s GLN 370 CO 0.07 0.65 1.60 -1.58 -0.25 0.00 0.00 175.29 175.78 3hqo s HIS 371 N -0.68 2.14 -0.07 0.91 5.65 -1.26 -4.99 115.29 116.99 3hqo s HIS 371 Ca 0.12 0.60 -0.26 0.00 0.25 0.00 0.00 55.06 55.77 3hqo s HIS 371 Cb -0.12 -4.03 -0.03 0.00 -1.18 0.00 0.00 32.58 27.23 3hqo s HIS 371 CO 0.02 -2.74 0.85 0.42 -0.65 0.00 0.00 174.74 172.64 3hqo s ILE 372 N 5.41 4.93 0.01 0.89 -1.09 -1.26 -2.93 121.20 127.15 3hqo s ILE 372 Ca 0.70 1.74 -0.25 0.00 -2.23 0.00 0.00 60.65 60.61 3hqo s ILE 372 Cb -0.23 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.43 3hqo s ILE 372 CO 0.30 0.15 0.76 -2.16 -1.23 0.00 0.00 174.94 172.75 3hqo s PRO 373 N 1.31 4.48 0.92 2.79 0.05 -1.26 -5.18 135.00 138.11 3hqo s PRO 373 Ca 0.43 1.03 -0.11 0.00 0.05 0.00 0.00 61.00 62.40 3hqo s PRO 373 Cb -0.18 -3.40 0.14 0.00 0.05 0.00 0.00 34.50 31.11 3hqo s PRO 373 CO 0.20 0.19 1.09 -1.64 0.05 0.00 0.00 177.00 176.89 3hqo s MET 374 N 0.28 1.03 0.80 4.56 -1.94 -1.15 -5.03 119.30 117.85 3hqo s MET 374 Ca 0.39 0.94 -0.11 0.00 -1.71 0.00 0.00 55.69 55.21 3hqo s MET 374 Cb -0.20 -1.77 0.07 0.00 2.01 0.00 0.00 34.83 34.94 3hqo s MET 374 CO 0.22 -2.43 1.09 -1.54 -0.01 0.00 0.00 175.02 172.35 3hqo s SER 375 N -3.21 4.29 0.14 3.03 1.04 -1.26 -4.88 113.70 112.85 3hqo s SER 375 Ca 0.64 1.65 -0.27 0.00 0.48 0.00 0.00 55.95 58.45 3hqo s SER 375 Cb -0.19 -2.37 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 3hqo s SER 375 CO 0.58 -2.14 1.59 0.00 0.98 0.00 0.00 173.24 174.25 3hqo h ALA 376 N -1.20 -0.46 0.00 5.32 0.00 -1.99 -2.61 119.26 118.32 3hqo h ALA 376 Ca -0.46 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 3hqo h ALA 376 Cb 1.25 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 3hqo h ALA 376 CO 0.54 -0.86 -0.52 0.38 0.00 0.00 0.00 179.25 178.79 3hqo h ASP 377 N -0.42 0.00 -0.25 0.00 2.03 -1.93 -3.09 116.42 112.76 3hqo h ASP 377 Ca 0.10 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.24 3hqo h ASP 377 Cb 0.59 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 3hqo h ASP 377 CO -0.43 0.52 -0.46 -0.08 -1.03 0.00 0.00 179.24 177.77 3hqo h GLU 378 N 0.00 0.76 -0.55 4.15 4.81 -1.85 -2.73 114.58 119.16 3hqo h GLU 378 Ca -0.01 -0.48 0.06 0.00 -0.13 0.00 0.00 59.36 58.81 3hqo h GLU 378 Cb 1.20 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.58 3hqo h GLU 378 CO 0.07 1.11 0.25 0.00 -0.73 0.00 0.00 179.01 179.70 3hqo h ALA 379 N 0.65 0.71 -0.49 2.92 0.00 -1.49 -0.77 119.26 120.79 3hqo h ALA 379 Ca 0.01 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.05 3hqo h ALA 379 Cb 1.06 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 3hqo h ALA 379 CO 0.10 -0.12 0.08 0.28 0.00 0.00 0.00 179.25 179.59 3hqo h VAL 380 N 0.47 0.71 -0.12 0.00 2.07 -1.43 0.22 116.25 118.17 3hqo h VAL 380 Ca 0.26 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 3hqo h VAL 380 Cb 0.23 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3hqo h VAL 380 CO -0.21 0.04 -0.00 0.00 0.02 0.00 0.00 177.57 177.41 3hqo n SER 382 N -4.79 0.00 -0.34 0.00 2.88 -0.32 -1.19 113.62 109.87 3hqo n SER 382 Ca -0.06 0.96 0.08 0.00 -1.33 0.00 0.00 58.87 58.52 3hqo n SER 382 Cb 0.21 -0.46 0.25 0.00 -0.75 0.00 0.00 64.21 63.45 3hqo n SER 382 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3hqo h SER 383 N 0.00 0.79 0.36 -3.46 0.02 -0.61 0.49 113.55 111.14 3hqo h SER 383 Ca 0.00 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3hqo h SER 383 Cb 0.00 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 3hqo h SER 383 CO 0.00 0.38 -0.10 0.00 -1.14 0.00 0.00 176.83 175.97 3hqo h ALA 384 N 1.56 1.27 0.16 3.77 0.00 -0.78 0.21 119.26 125.43 3hqo h ALA 384 Ca 0.50 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 55.01 3hqo h ALA 384 Cb 0.60 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hqo h ALA 384 CO -0.31 0.12 -1.49 0.28 0.00 0.00 0.00 179.25 177.85 3hqo h VAL 385 N 0.00 1.22 -0.77 0.00 2.07 0.52 -3.03 116.25 116.26 3hqo h VAL 385 Ca -0.00 -2.80 0.10 0.00 0.82 0.00 0.00 66.70 64.82 3hqo h VAL 385 Cb 0.30 2.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.87 3hqo h VAL 385 CO 0.01 0.84 0.51 -1.13 0.02 0.00 0.00 177.57 177.82 3hqo h ASN 386 N 0.09 0.61 -0.60 0.57 -0.00 -0.33 -1.59 115.58 114.32 3hqo h ASN 386 Ca -0.24 0.02 -0.03 0.00 -0.00 0.00 0.00 56.30 56.05 3hqo h ASN 386 Cb 2.05 -0.11 -0.03 0.00 -0.00 0.00 0.00 38.32 40.23 3hqo h ASN 386 CO 0.20 0.36 0.27 0.28 -0.00 0.00 0.00 177.43 178.53 3hqo h SER 387 N 0.67 0.81 -0.79 1.15 0.02 -0.63 -2.89 113.55 111.88 3hqo h SER 387 Ca 0.36 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3hqo h SER 387 Cb 0.50 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 3hqo h SER 387 CO -0.13 0.73 0.52 0.58 -1.14 0.00 0.00 176.83 177.39 3hqo h VAL 388 N 0.83 1.17 -0.42 2.27 2.07 -1.18 -1.89 116.25 119.11 3hqo h VAL 388 Ca 0.20 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 3hqo h VAL 388 Cb 0.16 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3hqo h VAL 388 CO -0.02 0.19 -0.26 1.88 0.02 0.00 0.00 177.57 179.38 3hqo h TYR 389 N 1.04 1.01 0.00 1.57 0.05 -1.35 -1.50 116.97 117.79 3hqo h TYR 389 Ca 0.30 -0.25 -0.12 0.00 0.05 0.00 0.00 58.73 58.71 3hqo h TYR 389 Cb -0.08 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.41 3hqo h TYR 389 CO -0.02 1.03 -0.57 0.93 -1.05 0.00 0.00 178.16 178.48 3hqo h GLU 390 N 0.75 0.00 -0.02 4.88 5.08 -1.36 -3.29 114.58 120.63 3hqo h GLU 390 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3hqo h GLU 390 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3hqo h GLU 390 CO 0.07 0.57 -0.44 -2.37 -1.00 0.00 0.00 179.01 175.84 3hqo n THR 391 N -3.51 0.00 -4.05 1.13 5.66 -0.73 -4.98 114.28 107.80 3hqo n THR 391 Ca -0.00 -0.28 -0.33 0.00 -3.05 0.00 0.00 64.05 60.39 3hqo n THR 391 Cb 0.65 1.26 0.00 0.00 -1.55 0.00 0.00 70.33 70.70 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 0.03 -4.37 -1.79 1.09 5.02 -0.60 -4.89 118.16 112.66 3hqo n LYS 392 Ca 0.09 0.49 -0.42 0.00 -2.02 0.00 0.00 58.31 56.45 3hqo n LYS 392 Cb 0.46 -5.31 -0.02 0.00 -0.02 0.00 0.00 35.03 30.14 3hqo n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqo s ALA 393 N -3.28 3.76 -1.99 7.82 0.00 -1.02 -4.80 121.76 122.25 3hqo s ALA 393 Ca 0.70 1.56 0.26 0.00 0.00 0.00 0.00 51.96 54.48 3hqo s ALA 393 Cb -0.37 -3.65 0.73 0.00 0.00 0.00 0.00 23.12 19.83 3hqo s ALA 393 CO 0.87 -0.96 1.55 1.63 0.00 0.00 0.00 175.76 178.85 3hqo n LYS 394 N 2.42 1.11 -3.55 0.00 5.02 -0.95 -4.68 118.16 117.54 3hqo n LYS 394 Ca 0.09 -0.70 -0.10 0.00 -2.02 0.00 0.00 58.31 55.58 3hqo n LYS 394 Cb 0.37 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 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 -2.37 -1.53 0.01 7.82 0.00 -1.24 -4.24 121.76 120.21 3hqo s ALA 395 Ca 0.27 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.59 3hqo s ALA 395 Cb 0.20 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 24.12 3hqo s ALA 395 CO 0.48 -0.84 -0.07 1.41 0.00 0.00 0.00 175.76 176.73 3hqo s MET 396 N -3.70 0.54 -0.14 0.00 1.75 -0.69 -2.71 119.30 114.34 3hqo s MET 396 Ca 0.04 -0.44 0.01 0.00 -1.25 0.00 0.00 55.69 54.06 3hqo s MET 396 Cb -0.02 -0.46 0.02 0.00 2.84 0.00 0.00 34.83 37.21 3hqo s MET 396 CO -0.07 0.11 -0.17 0.08 -0.65 0.00 0.00 175.02 174.33 3hqo s VAL 397 N -0.60 1.69 -0.03 10.11 1.01 0.14 0.03 120.40 132.76 3hqo s VAL 397 Ca -0.02 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.29 3hqo s VAL 397 Cb -0.05 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 3hqo s VAL 397 CO 0.00 0.48 -0.21 0.54 0.00 0.00 0.00 175.10 175.91 3hqo s VAL 398 N 1.17 1.71 -0.47 2.92 0.11 -0.19 -0.71 120.40 124.94 3hqo s VAL 398 Ca -0.01 -0.90 -0.12 0.00 -2.93 0.00 0.00 61.98 58.02 3hqo s VAL 398 Cb -0.14 -1.44 0.10 0.00 -1.53 0.00 0.00 36.38 33.38 3hqo s VAL 398 CO -0.06 0.48 0.37 -0.76 -3.33 0.00 0.00 175.10 171.80 3hqo s LEU 399 N -0.30 5.67 -0.08 2.54 1.43 -0.96 -0.48 118.68 126.51 3hqo s LEU 399 Ca 0.03 -1.68 -0.00 0.00 -1.03 0.00 0.00 54.13 51.45 3hqo s LEU 399 Cb -0.10 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.06 3hqo s LEU 399 CO 0.01 -0.69 -0.04 -0.55 0.23 0.00 0.00 176.35 175.32 3hqo s SER 400 N 2.74 1.61 -0.15 2.29 0.15 -1.17 -4.80 113.70 114.37 3hqo s SER 400 Ca 0.04 -0.16 -0.24 0.00 0.70 0.00 0.00 55.95 56.28 3hqo s SER 400 Cb -0.26 -0.57 -0.22 0.00 -1.71 0.00 0.00 66.02 63.26 3hqo s SER 400 CO 0.02 -0.13 0.56 0.78 1.20 0.00 0.00 173.24 175.67 3hqo h ASN 401 N 7.95 0.00 -0.42 5.45 2.35 -1.97 -3.37 115.58 125.57 3hqo h ASN 401 Ca -0.27 -0.78 -0.08 0.00 -0.55 0.00 0.00 56.30 54.61 3hqo h ASN 401 Cb 1.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 3hqo h ASN 401 CO 0.36 1.06 -0.03 0.71 -1.65 0.00 0.00 177.43 177.87 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 64.70 3hqo h THR 402 Cb 0.97 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3hqo h THR 402 CO -0.05 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 3hqo n GLY 403 N -0.54 2.12 0.33 5.82 0.00 -1.26 -4.87 105.19 106.78 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 0.74 -0.45 -0.95 1.61 3.08 -1.91 -2.52 114.38 113.99 3hqo h ARG 404 Ca 0.00 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.14 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 0.62 0.77 -1.07 0.00 0.00 179.97 179.99 3hqo h SER 405 N -0.46 0.98 0.25 7.04 0.02 -1.95 0.77 113.55 120.20 3hqo h SER 405 Ca 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3hqo h SER 405 Cb 0.54 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3hqo h SER 405 CO -0.25 0.64 -0.12 0.00 -1.14 0.00 0.00 176.83 175.96 3hqo h ALA 406 N 1.48 -0.33 -0.05 3.77 0.00 -1.85 -1.80 119.26 120.47 3hqo h ALA 406 Ca 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hqo h ALA 406 Cb 0.14 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hqo h ALA 406 CO -0.15 -0.68 0.02 0.00 0.00 0.00 0.00 179.25 178.44 3hqo h ARG 407 N -0.35 0.04 -0.56 0.00 3.08 -1.00 -1.78 114.38 113.81 3hqo h ARG 407 Ca -0.03 -0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.18 3hqo h ARG 407 Cb 0.27 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3hqo h ARG 407 CO 0.06 0.03 0.44 1.25 -1.07 0.00 0.00 179.97 180.68 3hqo h LEU 408 N 0.04 0.00 0.05 3.04 5.85 -0.72 0.23 115.31 123.80 3hqo h LEU 408 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3hqo h LEU 408 Cb 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3hqo h LEU 408 CO -0.02 0.00 -0.02 0.58 -0.34 0.00 0.00 178.44 178.64 3hqo h VAL 409 N 0.00 1.16 -0.22 1.05 2.07 -0.89 -3.27 116.25 116.15 3hqo h VAL 409 Ca 0.27 -1.63 0.06 0.00 0.82 0.00 0.00 66.70 66.22 3hqo h VAL 409 Cb 1.15 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 3hqo h VAL 409 CO -0.00 0.36 0.38 0.00 0.02 0.00 0.00 177.57 178.32 3hqo h ALA 410 N -0.21 1.77 -0.70 1.67 0.00 -0.17 0.28 119.26 121.90 3hqo h ALA 410 Ca -0.01 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3hqo h ALA 410 Cb 0.64 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3hqo h ALA 410 CO 0.01 -0.49 0.46 -0.22 0.00 0.00 0.00 179.25 179.01 3hqo h LYS 411 N 0.00 0.60 -0.65 0.00 3.64 -0.69 -2.62 116.57 116.86 3hqo h LYS 411 Ca 0.11 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3hqo h LYS 411 Cb 0.86 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3hqo h LYS 411 CO -0.00 0.40 0.00 0.66 -2.27 0.00 0.00 179.45 178.24 3hqo n TYR 412 N -4.49 1.17 -3.56 1.91 4.01 0.09 -4.99 117.16 111.30 3hqo n TYR 412 Ca 0.11 -0.50 -0.19 0.00 -0.16 0.00 0.00 57.90 57.16 3hqo n TYR 412 Cb 0.31 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 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 1.14 -1.55 -1.50 -0.72 5.12 -0.99 -4.38 116.66 113.78 3hqo n ARG 413 Ca 0.23 1.04 -0.30 0.00 -1.93 0.00 0.00 57.85 56.89 3hqo n ARG 413 Cb 0.71 -3.24 0.10 0.00 -1.16 0.00 0.00 32.46 28.87 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 -4.18 1.97 -0.08 5.56 0.04 -1.26 -4.54 135.00 132.50 3hqo s PRO 414 Ca 0.04 0.67 0.13 0.00 0.04 0.00 0.00 61.00 61.88 3hqo s PRO 414 Cb -0.01 -1.90 0.51 0.00 0.04 0.00 0.00 34.50 33.15 3hqo s PRO 414 CO 0.85 -1.71 1.37 0.27 0.04 0.00 0.00 177.00 177.83 3hqo n ASN 415 N -3.50 3.54 -4.30 6.66 6.94 -1.26 -4.91 115.26 118.42 3hqo n ASN 415 Ca 0.07 -2.33 -0.16 0.00 -0.02 0.00 0.00 54.58 52.14 3hqo n ASN 415 Cb 0.56 -0.49 -0.10 0.00 -2.36 0.00 0.00 39.78 37.39 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 4.01 -0.41 0.00 0.02 -1.26 -4.86 135.00 128.66 3hqo s PRO 417 Ca 0.25 2.14 -0.13 0.00 0.02 0.00 0.00 61.00 63.29 3hqo s PRO 417 Cb 0.05 -2.79 0.04 0.00 0.02 0.00 0.00 34.50 31.82 3hqo s PRO 417 CO 0.06 -0.45 0.28 0.42 -0.33 0.00 0.00 177.00 176.99 3hqo s ILE 418 N -1.26 4.90 -0.24 2.83 1.01 -0.91 -1.71 121.20 125.82 3hqo s ILE 418 Ca 0.56 -0.91 -0.23 0.00 0.00 0.00 0.00 60.65 60.07 3hqo s ILE 418 Cb -0.38 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 3hqo s ILE 418 CO 0.49 -0.37 0.76 -0.69 0.00 0.00 0.00 174.94 175.13 3hqo s VAL 419 N 1.60 4.90 -0.27 2.92 1.01 0.10 -0.22 120.40 130.45 3hqo s VAL 419 Ca 0.03 1.42 -0.05 0.00 0.00 0.00 0.00 61.98 63.38 3hqo s VAL 419 Cb -0.21 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.13 3hqo s VAL 419 CO 0.07 -0.02 0.03 0.00 0.00 0.00 0.00 175.10 175.18 3hqo s VAL 421 N 1.47 5.11 0.03 0.00 1.01 0.37 -0.39 120.40 128.00 3hqo s VAL 421 Ca 0.03 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.14 3hqo s VAL 421 Cb -0.16 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 3hqo s VAL 421 CO 0.00 -0.17 -0.12 0.28 0.00 0.00 0.00 175.10 175.09 3hqo s THR 422 N 2.15 0.92 -0.19 3.92 -1.32 -0.90 -3.04 115.64 117.16 3hqo s THR 422 Ca 0.14 -0.87 0.16 0.00 -1.21 0.00 0.00 61.69 59.91 3hqo s THR 422 Cb -0.16 -0.84 0.08 0.00 -1.51 0.00 0.00 72.50 70.07 3hqo s THR 422 CO 0.12 -0.02 1.41 0.71 -2.21 0.00 0.00 174.62 174.63 3hqo h THR 423 N 4.60 0.70 -3.61 5.08 1.35 -1.83 -0.43 112.91 118.77 3hqo h THR 423 Ca -0.36 -2.01 -0.62 0.00 -0.55 0.00 0.00 66.41 62.87 3hqo h THR 423 Cb 1.18 2.32 -0.14 0.00 -1.73 0.00 0.00 68.15 69.78 3hqo h THR 423 CO 0.45 0.40 -0.34 -0.13 -0.25 0.00 0.00 175.52 175.65 3hqo s ARG 424 N -3.00 4.08 0.37 4.72 0.52 -1.26 -4.43 118.95 119.95 3hqo s ARG 424 Ca 0.04 -0.04 0.10 0.00 -0.52 0.00 0.00 55.73 55.30 3hqo s ARG 424 Cb 0.07 -3.58 0.71 0.00 0.52 0.00 0.00 34.95 32.67 3hqo s ARG 424 CO 0.74 -0.08 1.85 1.25 0.02 0.00 0.00 175.30 179.09 3hqo h LEU 425 N 7.91 0.18 -0.71 2.53 5.85 -1.95 -2.87 115.31 126.24 3hqo h LEU 425 Ca -0.35 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3hqo h LEU 425 Cb 1.17 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3hqo h LEU 425 CO 0.66 0.43 0.45 -0.61 -0.34 0.00 0.00 178.44 179.03 3hqo h GLN 426 N 0.17 0.95 -0.27 1.25 4.15 -1.97 -2.65 115.11 116.74 3hqo h GLN 426 Ca 0.03 -0.07 0.08 0.00 0.77 0.00 0.00 58.65 59.46 3hqo h GLN 426 Cb 0.52 -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 0.20 1.15 -1.93 0.00 0.00 178.83 178.94 3hqo h THR 427 N 0.97 0.84 -0.46 2.39 2.02 -1.80 -0.33 112.91 116.53 3hqo h THR 427 Ca 0.26 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.36 3hqo h THR 427 Cb -0.07 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3hqo h THR 427 CO -0.05 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.84 3hqo h ARG 429 N 0.67 0.35 0.00 0.00 3.08 -1.31 -3.16 114.38 114.01 3hqo h ARG 429 Ca 0.13 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3hqo h ARG 429 Cb 0.50 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3hqo h ARG 429 CO 0.02 0.79 0.00 1.04 -1.07 0.00 0.00 179.97 180.75 3hqo n GLN 430 N -4.52 0.16 0.00 0.04 6.02 -0.24 -0.90 117.38 117.94 3hqo n GLN 430 Ca -0.07 0.53 0.13 0.00 -0.01 0.00 0.00 57.00 57.59 3hqo n GLN 430 Cb 0.40 -1.90 0.37 0.00 1.02 0.00 0.00 30.24 30.12 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 -2.22 1.39 0.00 1.08 4.77 -0.58 -4.15 117.00 117.28 3hqo n LEU 431 Ca 0.00 -0.43 0.03 0.00 -0.03 0.00 0.00 56.01 55.59 3hqo n LEU 431 Cb 0.12 -0.07 0.19 0.00 -2.33 0.00 0.00 43.42 41.34 3hqo n LEU 431 CO 0.14 0.25 0.48 0.59 -1.33 0.00 0.00 177.39 177.51 3hqo n ASN 432 N -0.22 0.00 -0.04 -1.43 4.13 -0.08 -2.51 115.26 115.11 3hqo n ASN 432 Ca 0.14 -1.12 0.01 0.00 1.68 0.00 0.00 54.58 55.29 3hqo n ASN 432 Cb 0.38 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.62 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 -0.65 0.00 -3.92 2.41 -5.35 -1.26 -4.69 119.36 105.91 3hqo n ILE 433 Ca 0.05 -0.49 -0.35 0.00 -0.27 0.00 0.00 62.75 61.69 3hqo n ILE 433 Cb 0.02 1.02 -0.09 0.00 -1.74 0.00 0.00 39.64 38.86 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 -0.51 5.06 0.47 7.28 2.01 -1.04 -4.53 115.64 124.37 3hqo s THR 434 Ca 0.01 0.06 -0.24 0.00 0.31 0.00 0.00 61.69 61.83 3hqo s THR 434 Cb 0.01 -3.27 -0.07 0.00 0.01 0.00 0.00 72.50 69.18 3hqo s THR 434 CO 0.03 0.48 1.35 -1.58 -0.69 0.00 0.00 174.62 174.22 3hqo s GLN 435 N 0.14 3.59 -1.36 4.92 -0.44 -1.26 -3.92 119.66 121.33 3hqo s GLN 435 Ca 0.07 2.24 -0.03 0.00 -2.50 0.00 0.00 55.36 55.13 3hqo s GLN 435 Cb -0.12 -2.54 0.00 0.00 -1.64 0.00 0.00 33.01 28.72 3hqo s GLN 435 CO -0.00 -0.83 0.45 0.41 0.50 0.00 0.00 175.29 175.82 3hqo n GLY 436 N 0.63 -0.35 3.14 2.59 0.00 0.40 -4.87 105.19 106.73 3hqo n GLY 436 Ca 0.07 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.06 1.30 -0.03 1.61 1.01 -1.25 -2.15 120.40 117.83 3hqo s VAL 437 Ca 0.22 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.57 3hqo s VAL 437 Cb -0.10 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 3hqo s VAL 437 CO 0.27 0.37 -0.20 -1.61 0.00 0.00 0.00 175.10 173.93 3hqo s GLU 438 N -0.31 1.81 -0.11 2.72 2.02 0.70 -4.94 118.70 120.59 3hqo s GLU 438 Ca 0.05 -0.72 -0.03 0.00 0.02 0.00 0.00 54.97 54.29 3hqo s GLU 438 Cb -0.07 -1.67 -0.03 0.00 0.10 0.00 0.00 34.13 32.46 3hqo s GLU 438 CO -0.00 0.38 0.00 -1.12 0.02 0.00 0.00 175.26 174.54 3hqo s SER 439 N -0.29 5.22 -0.16 -0.19 0.01 -1.26 0.07 113.70 117.10 3hqo s SER 439 Ca 0.03 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.39 3hqo s SER 439 Cb -0.10 -1.59 0.02 0.00 0.21 0.00 0.00 66.02 64.56 3hqo s SER 439 CO 0.01 0.32 -0.16 -0.69 0.41 0.00 0.00 173.24 173.12 3hqo s VAL 440 N -0.52 1.75 -0.31 3.43 1.01 0.48 -4.92 120.40 121.32 3hqo s VAL 440 Ca 0.09 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 3hqo s VAL 440 Cb -0.12 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.66 3hqo s VAL 440 CO 0.02 0.49 1.12 0.12 0.00 0.00 0.00 175.10 176.85 3hqo s PHE 441 N 1.38 3.07 -0.45 5.22 5.36 -1.26 -2.13 117.98 129.17 3hqo s PHE 441 Ca 0.04 1.15 -0.15 0.00 -0.96 0.00 0.00 56.93 57.01 3hqo s PHE 441 Cb -0.13 -3.70 0.06 0.00 -0.34 0.00 0.00 43.02 38.90 3hqo s PHE 441 CO -0.11 -0.95 0.36 0.12 -1.46 0.00 0.00 175.22 173.19 3hqo s PHE 442 N 3.74 3.25 -0.31 10.12 5.36 -0.17 -4.98 117.98 134.99 3hqo s PHE 442 Ca 0.47 -0.86 -0.28 0.00 -0.96 0.00 0.00 56.93 55.31 3hqo s PHE 442 Cb -0.13 -3.00 -0.03 0.00 -0.34 0.00 0.00 43.02 39.51 3hqo s PHE 442 CO 0.16 -0.74 1.96 0.34 -1.46 0.00 0.00 175.22 175.48 3hqo s ASP 443 N 2.33 5.67 0.19 6.13 -1.08 -1.26 -4.12 116.67 124.52 3hqo s ASP 443 Ca 0.04 1.44 0.06 0.00 -0.52 0.00 0.00 52.55 53.57 3hqo s ASP 443 Cb -0.23 -2.52 0.06 0.00 -1.46 0.00 0.00 42.92 38.77 3hqo s ASP 443 CO 0.07 -1.87 1.43 0.00 0.52 0.00 0.00 175.17 175.33 3hqo h ALA 444 N 13.93 0.63 -0.05 3.66 0.00 -1.85 -2.76 119.26 132.82 3hqo h ALA 444 Ca -0.35 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.84 3hqo h ALA 444 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hqo h ALA 444 CO 1.02 0.96 0.00 -0.25 0.00 0.00 0.00 179.25 180.99 3hqo n ASP 445 N -3.62 1.15 0.00 0.00 9.92 -1.26 -3.17 116.55 119.58 3hqo n ASP 445 Ca -0.02 -1.46 0.00 0.00 -0.53 0.00 0.00 54.79 52.78 3hqo n ASP 445 Cb 0.78 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 41.23 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 -0.07 0.00 0.00 -1.24 2.85 -1.24 -4.86 118.16 113.59 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 34.22 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 0.71 0.00 -5.58 4.77 -1.04 -5.09 117.00 110.77 3hqo n LEU 447 Ca 0.00 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 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 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3hqo n GLY 448 N -0.09 -0.59 0.14 -0.72 0.00 -1.19 -4.75 105.19 97.99 3hqo n GLY 448 Ca 0.00 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 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 0.34 -5.79 1.61 3.86 -1.95 -3.44 115.15 109.77 3hqo h HIS 449 Ca 0.00 0.01 -0.22 0.00 -1.16 0.00 0.00 60.37 59.00 3hqo h HIS 449 Cb 0.00 -0.11 0.06 0.00 1.06 0.00 0.00 27.41 28.42 3hqo h HIS 449 CO 0.00 0.21 -0.55 -3.47 0.86 0.00 0.00 177.93 174.98 3hqo n ASP 450 N -4.91 -6.58 0.00 2.45 2.03 -1.26 -4.89 116.55 103.39 3hqo n ASP 450 Ca -0.02 -0.55 0.10 0.00 0.52 0.00 0.00 54.79 54.85 3hqo n ASP 450 Cb 0.03 -4.29 0.59 0.00 -0.72 0.00 0.00 41.12 36.73 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 -2.72 0.93 0.00 -0.67 0.00 -1.26 -2.62 120.64 114.31 3hqo n GLU 451 Ca -0.08 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 0.16 0.00 0.00 0.00 0.00 31.44 30.85 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 0.72 -0.85 4.23 -1.84 0.00 -1.26 -4.96 105.19 101.23 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 -1.08 0.00 0.01 1.61 4.76 -1.08 -4.84 118.16 117.54 3hqo n LYS 453 Ca 0.07 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.41 3hqo n LYS 453 Cb 0.36 -3.29 -0.05 0.00 -1.84 0.00 0.00 35.03 30.20 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 0.71 0.05 -0.05 1.97 5.08 -1.93 -2.28 114.58 118.12 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 0.00 179.01 177.78 3hqo h HIS 455 N 0.05 0.36 0.23 4.33 3.86 -1.93 -3.02 115.15 119.03 3hqo h HIS 455 Ca 0.04 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 3hqo h HIS 455 Cb 0.03 -0.06 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 0.00 177.93 179.45 3hqo h ARG 456 N 0.18 -0.30 -0.66 2.45 3.08 -1.91 -2.28 114.38 114.94 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 -1.50 0.86 116.25 119.50 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 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3hqo h VAL 457 CO 0.05 0.05 -0.06 0.00 0.02 0.00 0.00 177.57 177.63 3hqo h ALA 458 N 1.54 1.02 -0.10 1.67 0.00 -1.58 -2.44 119.26 119.38 3hqo h ALA 458 Ca 0.35 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 3hqo h ALA 458 Cb 0.56 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hqo h ALA 458 CO -0.46 0.07 -0.62 0.00 0.00 0.00 0.00 179.25 178.24 3hqo h ALA 459 N 1.94 0.21 -0.89 0.00 0.00 -0.26 -2.62 119.26 117.64 3hqo h ALA 459 Ca -0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3hqo h ALA 459 Cb 0.57 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3hqo h ALA 459 CO 0.01 0.47 0.50 0.78 0.00 0.00 0.00 179.25 181.01 3hqo h GLY 460 N 0.22 1.32 1.85 0.00 0.00 -0.98 -1.87 103.07 103.61 3hqo h GLY 460 Ca -0.05 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.61 3hqo h GLY 460 CO 0.13 0.56 -0.31 -2.08 0.00 0.00 0.00 176.54 174.84 3hqo h VAL 461 N 1.24 1.26 -0.36 4.60 2.07 -1.49 -1.94 116.25 121.63 3hqo h VAL 461 Ca 0.31 -1.22 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 3hqo h VAL 461 Cb 0.01 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3hqo h VAL 461 CO -0.05 0.36 -0.22 -0.08 0.02 0.00 0.00 177.57 177.60 3hqo h GLU 462 N 0.16 0.78 -0.47 1.57 4.57 -1.03 0.03 114.58 120.18 3hqo h GLU 462 Ca 0.02 -0.36 0.05 0.00 -1.18 0.00 0.00 59.36 57.88 3hqo h GLU 462 Cb 0.63 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.17 3hqo h GLU 462 CO 0.05 0.99 0.21 0.35 -1.18 0.00 0.00 179.01 179.43 3hqo h PHE 463 N 0.57 0.39 -0.45 0.92 3.57 -1.14 0.15 116.94 120.95 3hqo h PHE 463 Ca 0.07 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.62 3hqo h PHE 463 Cb 0.78 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 3hqo h PHE 463 CO 0.06 0.18 0.25 0.00 -2.23 0.00 0.00 178.31 176.57 3hqo h ALA 464 N 1.27 0.58 -0.61 2.41 0.00 -1.16 -0.56 119.26 121.19 3hqo h ALA 464 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3hqo h ALA 464 Cb 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3hqo h ALA 464 CO -0.17 -0.08 0.25 0.87 0.00 0.00 0.00 179.25 180.13 3hqo h LYS 465 N 0.51 0.88 -0.10 0.00 1.57 -0.35 -1.70 116.57 117.38 3hqo h LYS 465 Ca 0.19 -0.13 -0.22 0.00 -1.87 0.00 0.00 60.65 58.61 3hqo h LYS 465 Cb 0.05 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.22 3hqo h LYS 465 CO -0.10 0.71 -0.81 0.66 -0.57 0.00 0.00 179.45 179.34 3hqo h SER 466 N 0.87 0.88 0.16 0.86 4.64 -0.30 -3.10 113.55 117.56 3hqo h SER 466 Ca 0.21 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3hqo h SER 466 Cb 0.16 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3hqo h SER 466 CO -0.02 1.41 0.00 0.29 -0.87 0.00 0.00 176.83 177.64 3hqo n LYS 467 N -3.97 0.67 -2.88 4.77 4.76 -0.25 -4.92 118.16 116.34 3hqo n LYS 467 Ca -0.09 0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.27 3hqo n LYS 467 Cb 0.76 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 32.51 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 0.73 -0.05 0.13 0.72 0.00 -0.99 -4.98 105.19 100.76 3hqo n GLY 468 Ca 0.17 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.92 0.20 -4.51 1.61 4.01 -0.67 -4.99 117.16 109.88 3hqo n TYR 469 Ca -0.17 0.07 -0.30 0.00 -0.16 0.00 0.00 57.90 57.34 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 -2.49 2.93 0.00 -0.72 -7.23 -1.24 -4.80 120.40 106.84 3hqo s VAL 470 Ca -0.36 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 3hqo s VAL 470 Cb 0.12 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.78 3hqo s VAL 470 CO 0.53 0.26 0.00 0.00 -0.31 0.00 0.00 175.10 175.58 3hqo n GLN 471 N 1.28 2.95 -2.82 4.82 6.02 -1.26 -4.47 117.38 123.89 3hqo n GLN 471 Ca -0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.41 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 1.49 4.51 0.00 5.09 2.01 -1.26 -3.77 115.64 123.71 3hqo s THR 472 Ca 0.00 0.86 0.00 0.00 0.31 0.00 0.00 61.69 62.86 3hqo s THR 472 Cb 0.00 -4.40 0.00 0.00 0.01 0.00 0.00 72.50 68.11 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 1.25 3.97 4.40 0.00 -0.31 -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 5.97 -0.02 1.61 1.01 -1.25 -4.85 116.67 117.15 3hqo s ASP 474 Ca 0.00 0.06 -0.15 0.00 0.71 0.00 0.00 52.55 53.18 3hqo s ASP 474 Cb 0.00 -1.46 -0.06 0.00 1.01 0.00 0.00 42.92 42.41 3hqo s ASP 474 CO 0.00 -0.49 0.40 -0.31 0.21 0.00 0.00 175.17 174.97 3hqo s TYR 475 N -2.31 3.71 -0.03 4.23 2.02 -1.26 -3.04 117.35 120.67 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 -2.29 0.02 0.00 -0.40 0.00 0.00 41.96 39.19 3hqo s TYR 475 CO 0.34 0.61 -0.03 0.00 -1.57 0.00 0.00 175.55 174.90 3hqo s VAL 477 N 0.74 4.80 -0.13 0.00 1.01 -1.10 -1.80 120.40 123.92 3hqo s VAL 477 Ca -0.09 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.87 3hqo s VAL 477 Cb -0.12 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.13 3hqo s VAL 477 CO -0.00 0.48 -0.17 -0.69 0.00 0.00 0.00 175.10 174.71 3hqo s VAL 478 N 0.18 1.72 -0.03 2.92 1.01 0.60 0.27 120.40 127.07 3hqo s VAL 478 Ca 0.04 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.33 3hqo s VAL 478 Cb -0.12 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3hqo s VAL 478 CO 0.00 0.48 -0.21 -0.63 0.00 0.00 0.00 175.10 174.75 3hqo s ILE 479 N 1.06 2.45 -0.29 2.22 1.01 0.11 -1.12 121.20 126.64 3hqo s ILE 479 Ca -0.03 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.50 3hqo s ILE 479 Cb -0.14 -1.90 0.16 0.00 0.01 0.00 0.00 42.46 40.59 3hqo s ILE 479 CO -0.04 0.58 1.01 -1.38 0.00 0.00 0.00 174.94 175.11 3hqo s HIS 480 N -0.63 -0.55 0.00 3.97 -3.43 -0.43 -2.25 115.29 111.97 3hqo s HIS 480 Ca 0.10 1.03 0.00 0.00 -0.80 0.00 0.00 55.06 55.39 3hqo s HIS 480 Cb -0.10 0.33 0.00 0.00 -1.43 0.00 0.00 32.58 31.37 3hqo s HIS 480 CO -0.00 -0.27 0.00 2.48 -2.00 0.00 0.00 174.74 174.95 3hqo n TYR 488 N 4.07 0.00 -2.94 0.38 0.18 -1.26 -4.26 117.16 113.34 3hqo n TYR 488 Ca -0.15 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.21 3hqo n TYR 488 Cb 0.56 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.47 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 3.51 -0.02 -3.48 0.00 -1.26 -4.89 121.76 115.62 3hqo s ALA 489 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.52 3hqo s ALA 489 Cb 0.00 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.83 3hqo s ALA 489 CO 0.00 -1.27 0.87 0.27 0.00 0.00 0.00 175.76 175.63 3hqo n ASN 490 N 6.27 0.42 -3.81 0.00 2.04 -1.26 -4.55 115.26 114.37 3hqo n ASN 490 Ca 0.04 -1.83 -0.15 0.00 -0.44 0.00 0.00 54.58 52.19 3hqo n ASN 490 Cb 0.48 -0.15 -0.16 0.00 -2.53 0.00 0.00 39.78 37.42 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 -0.42 0.07 -0.01 -3.83 0.74 -1.26 -5.03 119.66 109.92 3hqo s GLN 491 Ca 0.04 0.11 0.03 0.00 0.05 0.00 0.00 55.36 55.59 3hqo s GLN 491 Cb 0.03 -0.27 -0.01 0.00 1.10 0.00 0.00 33.01 33.87 3hqo s GLN 491 CO 0.00 -0.11 -0.11 -0.08 -0.55 0.00 0.00 175.29 174.44 3hqo s THR 492 N 0.80 0.87 0.01 -0.34 -1.32 -1.26 -1.31 115.64 113.08 3hqo s THR 492 Ca -0.07 -0.45 0.01 0.00 -1.21 0.00 0.00 61.69 59.97 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 -0.13 0.31 -0.21 7.08 0.52 -0.27 -5.00 118.95 121.24 3hqo s ARG 493 Ca 0.02 -0.29 -0.04 0.00 -0.52 0.00 0.00 55.73 54.90 3hqo s ARG 493 Cb -0.06 -0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.19 3hqo s ARG 493 CO -0.00 0.05 -0.02 0.42 0.02 0.00 0.00 175.30 175.76 3hqo s ILE 494 N -0.48 3.62 0.10 1.52 1.01 -1.26 -0.29 121.20 125.41 3hqo s ILE 494 Ca -0.03 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.28 3hqo s ILE 494 Cb -0.04 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 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 1.31 2.31 0.41 2.97 0.05 -0.74 -4.99 118.68 119.99 3hqo s LEU 495 Ca 0.04 -0.69 -0.19 0.00 0.05 0.00 0.00 54.13 53.33 3hqo s LEU 495 Cb -0.14 -0.77 -0.10 0.00 -2.05 0.00 0.00 46.19 43.12 3hqo s LEU 495 CO -0.01 0.01 0.90 -0.76 -0.55 0.00 0.00 176.35 175.94 3hqo s LEU 496 N -1.97 3.96 -0.07 1.48 1.02 -1.26 -2.23 118.68 119.61 3hqo s LEU 496 Ca 0.05 1.59 0.01 0.00 0.02 0.00 0.00 54.13 55.80 3hqo s LEU 496 Cb -0.09 -4.43 -0.03 0.00 0.02 0.00 0.00 46.19 41.66 3hqo s LEU 496 CO 0.04 -0.33 -0.10 0.68 0.02 0.00 0.00 176.35 176.66 3hqo s VAL 497 N -2.15 3.45 -2.75 -1.59 -7.23 -1.17 -4.97 120.40 103.99 3hqo s VAL 497 Ca 0.60 -0.57 0.26 0.00 -1.81 0.00 0.00 61.98 60.46 3hqo s VAL 497 Cb -0.09 -2.40 0.37 0.00 0.56 0.00 0.00 36.38 34.82 3hqo s VAL 497 CO 0.15 0.58 1.51 -0.62 -0.31 0.00 0.00 175.10 176.41