#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqq h GLN 2 N 0.00 0.00 0.09 4.33 5.75 -2.05 -3.04 115.11 120.19 3hqq h GLN 2 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3hqq h GLN 2 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3hqq h GLN 2 CO 0.00 0.41 -0.04 1.25 -2.65 0.00 0.00 178.83 177.80 3hqq h LEU 3 N 0.00 -0.10 -0.13 -2.39 6.46 -2.06 -2.16 115.31 114.92 3hqq h LEU 3 Ca -0.00 -0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.54 3hqq h LEU 3 Cb 0.74 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 3hqq h LEU 3 CO 0.05 0.15 0.07 0.00 -0.62 0.00 0.00 178.44 178.09 3hqq h ALA 4 N 0.53 0.17 -0.98 1.25 0.00 -1.99 -2.16 119.26 116.09 3hqq h ALA 4 Ca -0.01 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.00 3hqq h ALA 4 Cb 0.30 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 3hqq h ALA 4 CO 0.02 -0.29 0.61 1.25 0.00 0.00 0.00 179.25 180.85 3hqq h HIS 5 N 0.10 0.99 -0.07 0.00 -0.00 -1.60 -1.08 115.15 113.48 3hqq h HIS 5 Ca 0.05 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.47 3hqq h HIS 5 Cb 0.09 -0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 27.19 3hqq h HIS 5 CO -0.04 0.30 0.06 -0.91 -0.00 0.00 0.00 177.93 177.34 3hqq h ASN 6 N 0.78 0.00 0.86 3.26 2.35 -0.70 -1.81 115.58 120.33 3hqq h ASN 6 Ca 0.52 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.19 3hqq h ASN 6 Cb 0.78 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 3hqq h ASN 6 CO -0.29 0.00 -0.38 -0.07 -1.65 0.00 0.00 177.43 175.04 3hqq h LEU 7 N 0.00 0.00 -0.00 1.61 3.38 -1.15 -2.79 115.31 116.36 3hqq h LEU 7 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hqq h LEU 7 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hqq h LEU 7 CO -0.00 0.38 -0.29 0.35 0.09 0.00 0.00 178.44 178.97 3hqq n THR 8 N -3.53 0.00 -2.22 0.22 -2.24 -0.69 -4.94 114.28 100.89 3hqq n THR 8 Ca -0.00 -0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.44 3hqq n THR 8 Cb 0.52 -0.07 -0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3hqq n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hqq s LEU 9 N -3.00 3.64 0.01 3.22 1.43 -1.06 -5.08 118.68 117.85 3hqq s LEU 9 Ca 0.12 1.92 0.01 0.00 -1.03 0.00 0.00 54.13 55.15 3hqq s LEU 9 Cb 0.18 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.84 3hqq s LEU 9 CO 0.63 -1.08 -0.03 -0.55 0.23 0.00 0.00 176.35 175.54 3hqq s SER 10 N -2.35 0.32 0.52 2.29 0.15 -1.26 -5.02 113.70 108.34 3hqq s SER 10 Ca 0.66 -0.21 0.23 0.00 0.70 0.00 0.00 55.95 57.33 3hqq s SER 10 Cb -0.18 0.01 1.40 0.00 -1.71 0.00 0.00 66.02 65.54 3hqq s SER 10 CO 0.30 -0.08 2.10 0.16 1.20 0.00 0.00 173.24 176.92 3hqq h ILE 11 N 4.91 0.76 -0.29 6.45 3.07 -2.01 -2.48 117.51 127.92 3hqq h ILE 11 Ca -0.28 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 65.74 3hqq h ILE 11 Cb 1.20 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 3hqq h ILE 11 CO 0.47 0.10 0.00 0.49 -1.05 0.00 0.00 178.15 178.16 3hqq n PHE 12 N -3.96 0.39 -2.18 0.16 3.72 -1.26 -4.88 117.46 109.44 3hqq n PHE 12 Ca -0.02 -0.19 -0.41 0.00 -0.05 0.00 0.00 57.45 56.77 3hqq n PHE 12 Cb 0.19 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 3hqq n PHE 12 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hqq s ASP 13 N -1.11 6.85 0.29 4.37 1.01 -0.94 -4.96 116.67 122.20 3hqq s ASP 13 Ca 0.23 2.54 -0.29 0.00 0.71 0.00 0.00 52.55 55.75 3hqq s ASP 13 Cb 0.12 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 3hqq s ASP 13 CO 0.17 -0.51 1.15 -2.16 0.21 0.00 0.00 175.17 174.03 3hqq s PRO 14 N -1.03 4.57 0.86 8.23 0.04 -1.26 -5.03 135.00 141.38 3hqq s PRO 14 Ca 0.52 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 63.35 3hqq s PRO 14 Cb -0.38 -3.16 0.11 0.00 0.04 0.00 0.00 34.50 31.11 3hqq s PRO 14 CO 0.46 0.11 1.17 0.14 0.04 0.00 0.00 177.00 178.91 3hqq s VAL 15 N -1.16 2.00 0.80 -0.36 -7.23 -1.26 -5.00 120.40 108.19 3hqq s VAL 15 Ca 0.46 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.51 3hqq s VAL 15 Cb -0.34 -2.89 0.07 0.00 0.56 0.00 0.00 36.38 33.78 3hqq s VAL 15 CO 0.44 0.00 1.09 0.00 -0.31 0.00 0.00 175.10 176.32 3hqq s ALA 16 N -3.46 2.16 -2.21 1.32 0.00 -1.26 -4.95 121.76 113.35 3hqq s ALA 16 Ca 0.63 -0.10 0.30 0.00 0.00 0.00 0.00 51.96 52.80 3hqq s ALA 16 Cb -0.12 -3.15 1.47 0.00 0.00 0.00 0.00 23.12 21.32 3hqq s ALA 16 CO 0.51 -1.80 1.98 0.27 0.00 0.00 0.00 175.76 176.73 3hqq n ASN 17 N -3.50 0.72 -3.93 0.00 2.04 -1.26 -4.80 115.26 104.54 3hqq n ASN 17 Ca 0.07 -1.21 -0.10 0.00 -0.44 0.00 0.00 54.58 52.91 3hqq n ASN 17 Cb 0.55 -0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.69 3hqq n ASN 17 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 3hqq s TYR 18 N -2.03 0.14 -0.31 -2.53 -0.85 -1.26 -5.06 117.35 105.46 3hqq s TYR 18 Ca 0.42 -0.30 -0.09 0.00 -0.52 0.00 0.00 57.07 56.59 3hqq s TYR 18 Cb 0.21 -0.11 -0.00 0.00 0.38 0.00 0.00 41.96 42.44 3hqq s TYR 18 CO 0.36 -0.20 0.13 0.50 -1.52 0.00 0.00 175.55 174.82 3hqq s ARG 19 N -1.20 3.25 0.09 -3.49 3.52 -1.26 -5.01 118.95 114.85 3hqq s ARG 19 Ca -0.13 -0.77 -0.17 0.00 -0.13 0.00 0.00 55.73 54.53 3hqq s ARG 19 Cb -0.08 -3.50 -0.07 0.00 -1.56 0.00 0.00 34.95 29.74 3hqq s ARG 19 CO -0.00 -0.43 1.50 0.00 -0.81 0.00 0.00 175.30 175.56 3hqq h ALA 20 N 8.31 0.38 -2.47 6.12 0.00 -1.94 -3.44 119.26 126.22 3hqq h ALA 20 Ca -0.32 -0.26 -0.49 0.00 0.00 0.00 0.00 54.91 53.84 3hqq h ALA 20 Cb 1.14 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.88 3hqq h ALA 20 CO 0.61 0.17 0.41 0.00 0.00 0.00 0.00 179.25 180.45 3hqq s ALA 21 N -4.83 2.77 0.01 0.00 0.00 -1.26 -0.03 121.76 118.42 3hqq s ALA 21 Ca -0.13 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.59 3hqq s ALA 21 Cb 0.08 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 3hqq s ALA 21 CO 0.77 -0.57 -0.09 1.03 0.00 0.00 0.00 175.76 176.90 3hqq s ARG 22 N -3.27 2.47 -0.12 0.00 1.81 -0.91 -4.92 118.95 114.00 3hqq s ARG 22 Ca 0.70 -0.77 -0.02 0.00 -1.72 0.00 0.00 55.73 53.93 3hqq s ARG 22 Cb -0.20 -2.45 -0.03 0.00 -0.45 0.00 0.00 34.95 31.82 3hqq s ARG 22 CO 0.24 0.59 -0.06 0.42 -0.68 0.00 0.00 175.30 175.81 3hqq s ILE 23 N -0.98 3.76 -0.11 1.52 1.01 -1.26 -1.78 121.20 123.35 3hqq s ILE 23 Ca 0.17 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3hqq s ILE 23 Cb -0.11 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 3hqq s ILE 23 CO 0.07 0.54 -0.11 -0.63 0.00 0.00 0.00 174.94 174.81 3hqq s ILE 24 N -0.13 3.24 -0.05 2.92 1.01 -0.73 -1.29 121.20 126.17 3hqq s ILE 24 Ca 0.02 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.10 3hqq s ILE 24 Cb -0.13 -2.34 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 3hqq s ILE 24 CO 0.03 0.55 -0.19 0.00 0.00 0.00 0.00 174.94 175.32 3hqq s THR 26 N 0.07 4.92 -0.27 0.00 2.01 -0.95 0.17 115.64 121.58 3hqq s THR 26 Ca -0.06 1.39 -0.10 0.00 0.31 0.00 0.00 61.69 63.23 3hqq s THR 26 Cb -0.13 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 3hqq s THR 26 CO 0.03 0.35 0.15 -0.63 -0.69 0.00 0.00 174.62 173.84 3hqq s ILE 27 N 0.17 4.96 0.00 1.82 -1.09 -0.33 -3.06 121.20 123.67 3hqq s ILE 27 Ca 0.35 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 3hqq s ILE 27 Cb -0.18 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 3hqq s ILE 27 CO 0.19 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 3hqq n GLY 28 N 5.01 5.76 0.35 6.18 0.00 -1.25 -4.76 105.19 116.48 3hqq n GLY 28 Ca -0.15 -1.62 0.01 0.00 0.00 0.00 0.00 46.02 44.26 3hqq n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqq h PRO 29 N 0.00 0.96 0.00 1.61 0.11 -1.72 0.22 132.00 133.18 3hqq h PRO 29 Ca 0.00 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 3hqq h PRO 29 Cb 0.00 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 30.89 3hqq h PRO 29 CO 0.00 0.63 -0.16 0.77 -0.21 0.00 0.00 178.00 179.03 3hqq h SER 30 N 0.98 0.00 0.00 -2.05 0.02 -1.72 -3.36 113.55 107.42 3hqq h SER 30 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3hqq h SER 30 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3hqq h SER 30 CO -0.06 0.16 0.00 0.35 -1.14 0.00 0.00 176.83 176.14 3hqq n THR 31 N -4.15 0.66 0.04 -2.27 -2.24 0.67 -4.77 114.28 102.22 3hqq n THR 31 Ca -0.02 -0.73 -0.05 0.00 -2.27 0.00 0.00 64.05 60.98 3hqq n THR 31 Cb 0.24 0.70 0.15 0.00 -2.10 0.00 0.00 70.33 69.32 3hqq n THR 31 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3hqq h GLN 32 N 0.00 0.40 -7.03 -0.78 4.15 -1.41 -3.35 115.11 107.10 3hqq h GLN 32 Ca 0.00 -0.21 -0.52 0.00 0.77 0.00 0.00 58.65 58.69 3hqq h GLN 32 Cb 0.52 0.01 0.09 0.00 0.21 0.00 0.00 27.48 28.30 3hqq h GLN 32 CO 0.00 0.77 0.52 -1.54 -1.93 0.00 0.00 178.83 176.65 3hqq s SER 33 N -6.87 5.83 0.27 -0.69 1.04 -1.26 -4.81 113.70 107.20 3hqq s SER 33 Ca -0.06 2.43 -0.04 0.00 0.48 0.00 0.00 55.95 58.76 3hqq s SER 33 Cb 0.13 -2.61 0.34 0.00 0.10 0.00 0.00 66.02 63.98 3hqq s SER 33 CO 0.80 -1.16 1.95 0.58 0.98 0.00 0.00 173.24 176.39 3hqq h VAL 34 N 1.65 1.24 -0.65 5.02 2.07 -1.88 0.48 116.25 124.18 3hqq h VAL 34 Ca -0.50 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 3hqq h VAL 34 Cb 1.27 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3hqq h VAL 34 CO 0.59 0.23 0.24 -0.08 0.02 0.00 0.00 177.57 178.57 3hqq h GLU 35 N 1.26 0.98 -0.66 1.57 4.57 -1.96 -0.77 114.58 119.58 3hqq h GLU 35 Ca 0.34 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 3hqq h GLU 35 Cb -0.14 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.26 3hqq h GLU 35 CO -0.07 0.83 0.24 0.00 -1.18 0.00 0.00 179.01 178.83 3hqq h ALA 36 N 1.10 0.85 -0.61 2.92 0.00 -1.48 -2.33 119.26 119.71 3hqq h ALA 36 Ca 0.21 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3hqq h ALA 36 Cb 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hqq h ALA 36 CO -0.01 0.49 0.15 -0.07 0.00 0.00 0.00 179.25 179.80 3hqq h LEU 37 N 0.93 0.90 -0.95 0.00 3.38 -0.68 -1.42 115.31 117.48 3hqq h LEU 37 Ca 0.22 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3hqq h LEU 37 Cb 0.24 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3hqq h LEU 37 CO -0.01 0.87 0.29 0.11 0.09 0.00 0.00 178.44 179.78 3hqq h LYS 38 N 0.91 1.05 -0.76 1.13 1.57 -1.00 -1.44 116.57 118.03 3hqq h LYS 38 Ca 0.20 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3hqq h LYS 38 Cb 0.33 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3hqq h LYS 38 CO 0.00 0.85 0.27 0.78 -0.57 0.00 0.00 179.45 180.78 3hqq h GLY 39 N 1.09 1.24 0.96 3.86 0.00 -0.96 -2.53 103.07 106.74 3hqq h GLY 39 Ca 0.24 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3hqq h GLY 39 CO -0.02 0.66 0.13 1.41 0.00 0.00 0.00 176.54 178.72 3hqq h LEU 40 N 1.11 0.70 -0.38 3.11 4.07 -0.75 -0.93 115.31 122.24 3hqq h LEU 40 Ca 0.25 -0.22 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 3hqq h LEU 40 Cb 0.26 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 3hqq h LEU 40 CO -0.01 0.73 0.11 0.40 -1.08 0.00 0.00 178.44 178.59 3hqq h ILE 41 N 0.63 1.22 -0.12 1.22 2.04 -1.22 -0.19 117.51 121.08 3hqq h ILE 41 Ca 0.15 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 3hqq h ILE 41 Cb 0.29 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3hqq h ILE 41 CO -0.00 0.25 -0.20 1.56 0.00 0.00 0.00 178.15 179.76 3hqq h GLN 42 N 0.47 0.19 0.00 2.37 4.20 -1.41 -1.50 115.11 119.44 3hqq h GLN 42 Ca 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3hqq h GLN 42 Cb 0.27 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 3hqq h GLN 42 CO -0.00 0.39 -0.05 0.77 -0.67 0.00 0.00 178.83 179.27 3hqq h SER 43 N 0.18 0.00 0.00 1.46 0.02 -0.84 -3.47 113.55 110.90 3hqq h SER 43 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3hqq h SER 43 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3hqq h SER 43 CO 0.03 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.38 3hqq n GLY 44 N 0.46 0.97 3.70 -3.77 0.00 -0.56 -4.14 105.19 101.85 3hqq n GLY 44 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3hqq n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hqq s MET 45 N 0.00 4.51 -0.06 1.61 -2.45 -0.19 -4.40 119.30 118.32 3hqq s MET 45 Ca 0.00 1.46 0.14 0.00 -1.25 0.00 0.00 55.69 56.04 3hqq s MET 45 Cb 0.00 -3.47 -0.21 0.00 1.25 0.00 0.00 34.83 32.40 3hqq s MET 45 CO 0.00 -0.14 0.23 0.43 1.05 0.00 0.00 175.02 176.59 3hqq n SER 46 N 4.19 1.59 -3.94 1.11 7.64 -0.41 -4.64 113.62 119.16 3hqq n SER 46 Ca 0.07 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.75 3hqq n SER 46 Cb 0.50 1.38 -0.16 0.00 -1.01 0.00 0.00 64.21 64.92 3hqq n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hqq s VAL 47 N -2.78 0.68 -0.20 0.44 1.01 -1.12 -2.73 120.40 115.70 3hqq s VAL 47 Ca -0.06 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 3hqq s VAL 47 Cb 0.08 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 3hqq s VAL 47 CO 0.60 0.24 0.05 0.00 0.00 0.00 0.00 175.10 176.00 3hqq s ALA 48 N 0.65 3.29 -0.17 5.51 0.00 -0.48 -1.39 121.76 129.17 3hqq s ALA 48 Ca -0.10 -0.85 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 3hqq s ALA 48 Cb -0.13 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 3hqq s ALA 48 CO 0.01 0.01 0.02 0.50 0.00 0.00 0.00 175.76 176.30 3hqq s ARG 49 N 0.69 3.83 -0.20 0.00 3.52 0.13 -1.22 118.95 125.69 3hqq s ARG 49 Ca 0.03 -0.43 -0.05 0.00 -0.13 0.00 0.00 55.73 55.15 3hqq s ARG 49 Cb -0.13 -3.08 -0.03 0.00 -1.56 0.00 0.00 34.95 30.14 3hqq s ARG 49 CO 0.02 0.24 0.01 -1.64 -0.81 0.00 0.00 175.30 173.12 3hqq s MET 50 N 0.41 3.66 -0.34 5.12 -1.94 -0.67 -1.18 119.30 124.36 3hqq s MET 50 Ca -0.00 -0.50 -0.13 0.00 -1.71 0.00 0.00 55.69 53.34 3hqq s MET 50 Cb -0.13 -3.09 -0.01 0.00 2.01 0.00 0.00 34.83 33.61 3hqq s MET 50 CO 0.02 0.05 0.27 1.21 -0.01 0.00 0.00 175.02 176.56 3hqq s ASN 51 N 0.90 6.09 0.00 3.03 3.84 -1.26 -0.54 114.94 127.00 3hqq s ASN 51 Ca 0.01 -0.40 0.25 0.00 0.21 0.00 0.00 52.86 52.93 3hqq s ASN 51 Cb -0.14 -2.15 1.27 0.00 -0.55 0.00 0.00 41.25 39.68 3hqq s ASN 51 CO 0.02 -0.27 1.85 0.49 -2.79 0.00 0.00 177.10 176.40 3hqq n PHE 52 N 5.17 0.04 0.30 0.43 3.01 0.54 -1.94 117.46 125.01 3hqq n PHE 52 Ca -0.12 -0.02 0.15 0.00 1.01 0.00 0.00 57.45 58.48 3hqq n PHE 52 Cb 0.49 0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.52 3hqq n PHE 52 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3hqq h SER 53 N 0.86 0.00 -4.04 4.37 0.02 -1.77 -3.34 113.55 109.65 3hqq h SER 53 Ca 0.00 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.54 3hqq h SER 53 Cb 0.19 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.55 3hqq h SER 53 CO 0.00 0.00 -0.76 -1.00 -1.14 0.00 0.00 176.83 173.93 3hqq s HIS 54 N -3.50 1.38 0.00 3.45 3.76 -0.82 -4.99 115.29 114.57 3hqq s HIS 54 Ca 0.03 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 3hqq s HIS 54 Cb 0.08 -0.72 0.00 0.00 1.11 0.00 0.00 32.58 33.05 3hqq s HIS 54 CO 0.54 0.14 0.00 0.41 -0.85 0.00 0.00 174.74 174.98 3hqq n GLY 55 N 0.49 -1.41 3.70 -2.22 0.00 -1.26 -4.79 105.19 99.70 3hqq n GLY 55 Ca -0.15 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 3hqq n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hqq s SER 56 N -4.00 0.19 0.29 1.61 1.04 -1.26 -4.96 113.70 106.62 3hqq s SER 56 Ca 0.00 -1.13 -0.01 0.00 0.48 0.00 0.00 55.95 55.29 3hqq s SER 56 Cb 0.00 0.75 0.44 0.00 0.10 0.00 0.00 66.02 67.30 3hqq s SER 56 CO 0.00 -1.46 1.89 0.45 0.98 0.00 0.00 173.24 175.10 3hqq h HIS 57 N 2.07 0.90 -0.34 5.02 -0.00 -1.98 -1.56 115.15 119.25 3hqq h HIS 57 Ca -0.28 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.03 3hqq h HIS 57 Cb 1.25 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 28.36 3hqq h HIS 57 CO 1.12 0.68 0.15 1.49 -0.00 0.00 0.00 177.93 181.37 3hqq h GLU 58 N 0.89 0.50 -0.32 2.45 4.81 -1.99 -0.13 114.58 120.80 3hqq h GLU 58 Ca 0.22 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3hqq h GLU 58 Cb 0.13 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3hqq h GLU 58 CO -0.02 0.48 0.10 -0.92 -0.73 0.00 0.00 179.01 177.91 3hqq h TYR 59 N 0.41 0.52 -0.01 0.92 3.20 -1.80 -3.06 116.97 117.15 3hqq h TYR 59 Ca 0.12 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 3hqq h TYR 59 Cb 0.16 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3hqq h TYR 59 CO -0.01 0.53 -0.30 0.45 -1.64 0.00 0.00 178.16 177.19 3hqq h HIS 60 N 0.36 0.01 -0.74 -3.82 3.86 -1.18 -2.48 115.15 111.17 3hqq h HIS 60 Ca 0.10 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.26 3hqq h HIS 60 Cb 0.25 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 3hqq h HIS 60 CO 0.01 0.31 0.25 0.37 0.86 0.00 0.00 177.93 179.73 3hqq h GLN 61 N 0.01 1.14 -0.96 2.45 5.75 -0.95 -1.76 115.11 120.80 3hqq h GLN 61 Ca -0.00 -0.23 -0.00 0.00 -0.15 0.00 0.00 58.65 58.26 3hqq h GLN 61 Cb 0.54 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.87 3hqq h GLN 61 CO 0.04 0.96 0.59 1.15 -2.65 0.00 0.00 178.83 178.91 3hqq h THR 62 N 1.09 1.26 -0.60 2.39 2.02 -1.35 -1.30 112.91 116.42 3hqq h THR 62 Ca 0.24 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 3hqq h THR 62 Cb 0.28 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 3hqq h THR 62 CO -0.01 0.27 0.24 0.74 0.37 0.00 0.00 175.52 177.13 3hqq h THR 63 N 1.31 1.23 -0.39 3.16 2.02 -1.31 -0.51 112.91 118.43 3hqq h THR 63 Ca 0.34 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 3hqq h THR 63 Cb -0.08 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3hqq h THR 63 CO -0.07 0.28 0.18 0.40 0.37 0.00 0.00 175.52 176.68 3hqq h ILE 64 N 0.83 1.17 -0.47 3.11 2.04 -0.55 -0.43 117.51 123.21 3hqq h ILE 64 Ca 0.20 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 3hqq h ILE 64 Cb 0.20 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3hqq h ILE 64 CO -0.02 0.19 0.07 0.78 0.00 0.00 0.00 178.15 179.17 3hqq h ASN 65 N 0.48 0.75 -0.42 1.72 2.35 -1.13 -2.44 115.58 116.89 3hqq h ASN 65 Ca 0.13 -0.26 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 3hqq h ASN 65 Cb 0.13 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3hqq h ASN 65 CO -0.02 0.82 0.11 0.78 -1.65 0.00 0.00 177.43 177.48 3hqq h ASN 66 N 0.64 0.69 -0.20 5.81 4.21 -0.91 -1.43 115.58 124.39 3hqq h ASN 66 Ca 0.14 -0.12 -0.04 0.00 1.21 0.00 0.00 56.30 57.50 3hqq h ASN 66 Cb 0.40 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.41 3hqq h ASN 66 CO 0.01 0.69 -0.02 0.58 -1.29 0.00 0.00 177.43 177.40 3hqq h VAL 67 N 0.72 1.27 -0.60 2.81 2.07 -0.94 -1.14 116.25 120.43 3hqq h VAL 67 Ca 0.16 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 3hqq h VAL 67 Cb 0.28 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3hqq h VAL 67 CO -0.00 0.29 0.27 0.03 0.02 0.00 0.00 177.57 178.18 3hqq h ARG 68 N 0.12 0.88 -0.47 1.57 3.08 -1.34 -0.50 114.38 117.72 3hqq h ARG 68 Ca 0.06 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 3hqq h ARG 68 Cb 0.44 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3hqq h ARG 68 CO 0.01 0.73 0.11 0.37 -1.07 0.00 0.00 179.97 180.12 3hqq h GLN 69 N 0.83 0.76 -0.51 0.04 4.15 -1.23 -0.90 115.11 118.25 3hqq h GLN 69 Ca 0.20 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 59.38 3hqq h GLN 69 Cb 0.15 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 3hqq h GLN 69 CO -0.02 0.75 0.10 0.00 -1.93 0.00 0.00 178.83 177.72 3hqq h ALA 70 N 0.98 0.67 -0.63 3.38 0.00 -1.08 -2.48 119.26 120.11 3hqq h ALA 70 Ca 0.15 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3hqq h ALA 70 Cb 0.33 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hqq h ALA 70 CO 0.00 0.39 0.19 0.00 0.00 0.00 0.00 179.25 179.83 3hqq h ALA 71 N 0.98 0.82 -0.72 0.00 0.00 -1.01 -2.78 119.26 116.55 3hqq h ALA 71 Ca 0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3hqq h ALA 71 Cb 0.37 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3hqq h ALA 71 CO 0.01 0.50 0.30 0.00 0.00 0.00 0.00 179.25 180.05 3hqq h ALA 72 N 1.06 0.93 0.00 0.00 0.00 -1.13 -1.06 119.26 119.07 3hqq h ALA 72 Ca 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hqq h ALA 72 Cb 0.30 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hqq h ALA 72 CO -0.00 0.54 -0.14 0.93 0.00 0.00 0.00 179.25 180.58 3hqq h GLU 73 N 1.02 0.00 -0.20 0.00 5.08 -1.37 -2.82 114.58 116.28 3hqq h GLU 73 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3hqq h GLU 73 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hqq h GLU 73 CO -0.02 0.14 0.00 1.28 -1.00 0.00 0.00 179.01 179.41 3hqq n LEU 74 N -3.80 2.76 -3.57 1.33 4.77 -0.78 -4.98 117.00 112.74 3hqq n LEU 74 Ca -0.02 -1.36 -0.21 0.00 -0.03 0.00 0.00 56.01 54.38 3hqq n LEU 74 Cb 0.24 -0.13 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 3hqq n LEU 74 CO 0.32 0.58 0.15 0.61 -1.33 0.00 0.00 177.39 177.71 3hqq n GLY 75 N 0.98 -0.44 3.16 -0.72 0.00 -0.48 -5.02 105.19 102.67 3hqq n GLY 75 Ca 0.13 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 3hqq n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqq s VAL 76 N -3.37 0.45 -0.21 1.61 -7.23 -0.74 -5.04 120.40 105.88 3hqq s VAL 76 Ca 0.29 -1.90 -0.05 0.00 -1.81 0.00 0.00 61.98 58.51 3hqq s VAL 76 Cb -0.13 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 3hqq s VAL 76 CO 0.75 -0.77 -0.01 0.20 -0.31 0.00 0.00 175.10 174.96 3hqq s ASN 77 N -3.03 4.70 -0.13 4.85 0.01 -1.26 -4.45 114.94 115.63 3hqq s ASN 77 Ca 0.15 -0.26 0.02 0.00 -0.71 0.00 0.00 52.86 52.06 3hqq s ASN 77 Cb 0.07 -1.81 0.00 0.00 0.41 0.00 0.00 41.25 39.92 3hqq s ASN 77 CO -0.04 0.03 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.76 3hqq s ILE 78 N 1.21 2.34 0.44 0.60 -1.09 -1.26 -4.77 121.20 118.67 3hqq s ILE 78 Ca 0.03 -0.89 -0.24 0.00 -2.23 0.00 0.00 60.65 57.32 3hqq s ILE 78 Cb -0.15 -1.95 -0.08 0.00 -1.58 0.00 0.00 42.46 38.71 3hqq s ILE 78 CO 0.01 0.54 1.21 0.00 -1.23 0.00 0.00 174.94 175.47 3hqq s ALA 79 N 0.66 3.05 -0.15 9.38 0.00 -1.11 -4.89 121.76 128.70 3hqq s ALA 79 Ca -0.10 1.03 -0.00 0.00 0.00 0.00 0.00 51.96 52.90 3hqq s ALA 79 Cb -0.16 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 3hqq s ALA 79 CO 0.02 -0.73 -0.13 0.42 0.00 0.00 0.00 175.76 175.34 3hqq s ILE 80 N -1.44 2.89 -0.08 0.00 1.01 -1.26 -1.39 121.20 120.93 3hqq s ILE 80 Ca 0.62 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.60 3hqq s ILE 80 Cb -0.32 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 3hqq s ILE 80 CO 0.39 0.51 -0.18 0.00 0.00 0.00 0.00 174.94 175.66 3hqq s ALA 81 N 0.71 2.45 -0.30 9.38 0.00 -0.36 -2.28 121.76 131.36 3hqq s ALA 81 Ca -0.06 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.83 3hqq s ALA 81 Cb -0.15 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 3hqq s ALA 81 CO 0.02 0.41 0.13 -1.17 0.00 0.00 0.00 175.76 175.14 3hqq s LEU 82 N -0.19 4.00 -0.56 0.00 0.20 -0.46 -1.67 118.68 120.00 3hqq s LEU 82 Ca -0.01 -0.56 -0.16 0.00 0.69 0.00 0.00 54.13 54.08 3hqq s LEU 82 Cb -0.13 -1.96 0.13 0.00 -0.43 0.00 0.00 46.19 43.79 3hqq s LEU 82 CO 0.03 -0.19 0.55 -0.62 -0.29 0.00 0.00 176.35 175.84 3hqq s ASP 83 N 1.58 6.21 0.64 3.68 -1.08 0.30 -0.51 116.67 127.49 3hqq s ASP 83 Ca 0.04 -1.75 -0.17 0.00 -0.52 0.00 0.00 52.55 50.15 3hqq s ASP 83 Cb -0.17 -2.23 -0.01 0.00 -1.46 0.00 0.00 42.92 39.05 3hqq s ASP 83 CO 0.05 -0.90 1.19 0.42 0.52 0.00 0.00 175.17 176.45 3hqq s THR 84 N 1.76 2.66 0.03 1.71 -4.23 -1.22 0.20 115.64 116.55 3hqq s THR 84 Ca 0.05 0.36 -0.22 0.00 -1.18 0.00 0.00 61.69 60.70 3hqq s THR 84 Cb -0.28 -3.02 -0.15 0.00 1.34 0.00 0.00 72.50 70.39 3hqq s THR 84 CO 0.03 -0.13 1.40 0.50 -0.54 0.00 0.00 174.62 175.88 3hqq h LYS 85 N 0.40 0.21 -0.00 3.99 3.64 -1.93 -3.40 116.57 119.49 3hqq h LYS 85 Ca -0.49 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 3hqq h LYS 85 Cb 1.29 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3hqq h LYS 85 CO 0.53 0.55 -0.00 0.41 -2.27 0.00 0.00 179.45 178.67 3hqq n GLY 86 N -0.04 -1.78 3.76 5.01 0.00 -1.26 -4.78 105.19 106.09 3hqq n GLY 86 Ca -0.06 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 3hqq n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hqq s PRO 87 N -1.77 4.27 0.06 1.61 0.04 -1.26 -4.86 135.00 133.09 3hqq s PRO 87 Ca 0.00 2.32 0.07 0.00 0.04 0.00 0.00 61.00 63.43 3hqq s PRO 87 Cb 0.00 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 3hqq s PRO 87 CO 0.00 -0.38 -0.19 -1.21 0.04 0.00 0.00 177.00 175.27 3hqq s GLU 88 N -1.02 1.18 -0.22 4.56 2.02 -1.26 -5.05 118.70 118.91 3hqq s GLU 88 Ca 0.56 -0.95 -0.08 0.00 0.02 0.00 0.00 54.97 54.51 3hqq s GLU 88 Cb -0.42 -1.29 -0.04 0.00 0.10 0.00 0.00 34.13 32.48 3hqq s GLU 88 CO 0.49 0.32 0.09 0.42 0.02 0.00 0.00 175.26 176.60 3hqq s ILE 89 N -0.93 4.81 0.07 -1.63 1.01 -1.26 -4.95 121.20 118.32 3hqq s ILE 89 Ca 0.05 -0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.73 3hqq s ILE 89 Cb -0.09 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 3hqq s ILE 89 CO 0.02 0.39 -0.14 -0.13 0.00 0.00 0.00 174.94 175.09 3hqq s ARG 90 N 0.92 0.81 0.96 2.79 0.52 -1.26 -1.00 118.95 122.69 3hqq s ARG 90 Ca 0.05 -0.96 -0.12 0.00 -0.52 0.00 0.00 55.73 54.18 3hqq s ARG 90 Cb -0.14 -0.78 0.16 0.00 0.52 0.00 0.00 34.95 34.72 3hqq s ARG 90 CO 0.03 0.17 1.09 0.95 0.02 0.00 0.00 175.30 177.56 3hqq s THR 91 N -1.37 2.28 0.00 0.02 -4.23 -0.01 -0.36 115.64 111.97 3hqq s THR 91 Ca -0.02 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 3hqq s THR 91 Cb -0.09 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3hqq s THR 91 CO 0.02 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 3hqq n GLY 92 N -1.16 0.09 3.86 3.99 0.00 0.62 -4.10 105.19 108.50 3hqq n GLY 92 Ca 0.06 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 3hqq n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hqq s GLN 93 N 0.78 3.90 0.09 1.61 -0.21 0.50 -1.32 119.66 125.00 3hqq s GLN 93 Ca 0.00 0.58 0.05 0.00 0.02 0.00 0.00 55.36 56.01 3hqq s GLN 93 Cb 0.00 -2.41 -0.04 0.00 1.00 0.00 0.00 33.01 31.56 3hqq s GLN 93 CO 0.00 0.06 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.14 3hqq s PHE 94 N -2.18 2.92 0.32 0.91 0.08 -1.26 -1.80 117.98 116.97 3hqq s PHE 94 Ca 0.53 -0.06 -0.29 0.00 0.12 0.00 0.00 56.93 57.23 3hqq s PHE 94 Cb -0.10 -1.52 -0.11 0.00 -0.57 0.00 0.00 43.02 40.72 3hqq s PHE 94 CO 0.24 0.46 1.45 0.08 -0.10 0.00 0.00 175.22 177.35 3hqq s VAL 95 N -1.26 2.36 -0.23 -0.44 1.01 -0.55 -1.78 120.40 119.50 3hqq s VAL 95 Ca 0.24 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3hqq s VAL 95 Cb -0.11 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3hqq s VAL 95 CO 0.16 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.94 3hqq n GLY 96 N 1.23 0.51 3.62 4.51 0.00 -1.26 -3.58 105.19 110.22 3hqq n GLY 96 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3hqq n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqq n GLY 97 N -1.76 2.95 3.27 -0.02 0.00 -0.73 -4.95 105.19 103.95 3hqq n GLY 97 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3hqq n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hqq s ASP 98 N -2.18 0.14 -0.24 1.61 2.15 -1.23 -3.17 116.67 113.75 3hqq s ASP 98 Ca 0.00 -1.00 -0.11 0.00 0.43 0.00 0.00 52.55 51.87 3hqq s ASP 98 Cb 0.00 0.38 0.09 0.00 -0.30 0.00 0.00 42.92 43.09 3hqq s ASP 98 CO 0.00 -0.83 0.55 0.00 -0.17 0.00 0.00 175.17 174.72 3hqq s ALA 99 N -4.00 -1.56 -0.70 3.66 0.00 -0.73 -4.42 121.76 114.01 3hqq s ALA 99 Ca 0.20 1.98 -0.19 0.00 0.00 0.00 0.00 51.96 53.96 3hqq s ALA 99 Cb 0.05 -1.38 0.12 0.00 0.00 0.00 0.00 23.12 21.91 3hqq s ALA 99 CO 0.01 -0.59 0.82 0.08 0.00 0.00 0.00 175.76 176.08 3hqq s VAL 100 N 2.15 4.86 -0.37 0.00 1.01 -1.26 -1.99 120.40 124.80 3hqq s VAL 100 Ca -0.07 -1.25 -0.24 0.00 0.00 0.00 0.00 61.98 60.42 3hqq s VAL 100 Cb -0.09 -4.56 0.01 0.00 0.00 0.00 0.00 36.38 31.73 3hqq s VAL 100 CO -0.16 -1.22 0.81 -0.04 0.00 0.00 0.00 175.10 174.48 3hqq s MET 101 N 2.48 3.75 0.10 2.72 -1.94 -0.87 -4.93 119.30 120.61 3hqq s MET 101 Ca 0.18 0.33 0.00 0.00 -1.71 0.00 0.00 55.69 54.49 3hqq s MET 101 Cb -0.18 -3.82 -0.04 0.00 2.01 0.00 0.00 34.83 32.81 3hqq s MET 101 CO 0.01 -0.89 0.25 -1.21 -0.01 0.00 0.00 175.02 173.18 3hqq s GLU 102 N 3.19 3.46 0.28 2.03 2.02 -1.26 -1.02 118.70 127.39 3hqq s GLU 102 Ca 0.32 -0.45 -0.29 0.00 0.02 0.00 0.00 54.97 54.57 3hqq s GLU 102 Cb -0.13 -3.00 -0.10 0.00 0.10 0.00 0.00 34.13 31.01 3hqq s GLU 102 CO 0.18 0.57 1.33 0.50 0.02 0.00 0.00 175.26 177.86 3hqq s ARG 103 N -2.75 4.35 0.00 1.61 3.52 -1.26 -3.00 118.95 121.43 3hqq s ARG 103 Ca 0.35 2.19 0.00 0.00 -0.13 0.00 0.00 55.73 58.15 3hqq s ARG 103 Cb -0.12 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 3hqq s ARG 103 CO 0.28 -0.24 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 3hqq n GLY 104 N 1.47 3.05 3.73 8.12 0.00 0.28 -4.99 105.19 116.85 3hqq n GLY 104 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3hqq n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqq s ALA 105 N -1.96 2.26 -0.14 4.61 0.00 -1.16 -4.69 121.76 120.69 3hqq s ALA 105 Ca 0.00 0.97 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 3hqq s ALA 105 Cb 0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 3hqq s ALA 105 CO 0.00 -1.67 0.24 0.99 0.00 0.00 0.00 175.76 175.32 3hqq s THR 106 N -1.78 5.34 0.21 0.00 2.01 -1.26 -0.68 115.64 119.47 3hqq s THR 106 Ca 0.77 0.43 0.01 0.00 0.31 0.00 0.00 61.69 63.20 3hqq s THR 106 Cb -0.31 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 3hqq s THR 106 CO 0.42 0.48 0.08 0.00 -0.69 0.00 0.00 174.62 174.90 3hqq s TYR 108 N -3.86 1.97 -0.15 0.00 1.51 0.26 -0.48 117.35 116.61 3hqq s TYR 108 Ca 0.34 -0.88 -0.02 0.00 -1.01 0.00 0.00 57.07 55.50 3hqq s TYR 108 Cb 0.07 -1.40 -0.02 0.00 -0.11 0.00 0.00 41.96 40.50 3hqq s TYR 108 CO 0.10 -0.43 -0.09 0.14 -1.11 0.00 0.00 175.55 174.15 3hqq s VAL 109 N 0.82 3.35 0.08 0.71 -7.23 -0.06 -1.49 120.40 116.59 3hqq s VAL 109 Ca -0.10 -0.55 0.06 0.00 -1.81 0.00 0.00 61.98 59.58 3hqq s VAL 109 Cb -0.16 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 3hqq s VAL 109 CO 0.01 0.51 -0.16 0.28 -0.31 0.00 0.00 175.10 175.42 3hqq s THR 110 N 0.44 1.32 -1.99 5.32 -1.32 0.47 -0.12 115.64 119.77 3hqq s THR 110 Ca -0.07 -1.41 0.22 0.00 -1.21 0.00 0.00 61.69 59.21 3hqq s THR 110 Cb -0.15 -1.26 0.58 0.00 -1.51 0.00 0.00 72.50 70.16 3hqq s THR 110 CO 0.04 -0.19 1.49 0.35 -2.21 0.00 0.00 174.62 174.10 3hqq n THR 111 N 1.16 0.90 -1.86 5.08 -2.24 0.31 -1.70 114.28 115.93 3hqq n THR 111 Ca -0.20 -0.95 -0.42 0.00 -2.27 0.00 0.00 64.05 60.21 3hqq n THR 111 Cb 0.54 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 3hqq n THR 111 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hqq s ASP 112 N -1.09 6.29 0.54 3.42 3.68 -1.26 -4.88 116.67 123.37 3hqq s ASP 112 Ca 0.45 2.14 0.33 0.00 2.13 0.00 0.00 52.55 57.60 3hqq s ASP 112 Cb 0.24 -2.53 1.35 0.00 -1.45 0.00 0.00 42.92 40.53 3hqq s ASP 112 CO 0.32 -1.25 1.98 1.55 0.13 0.00 0.00 175.17 177.90 3hqq h PRO 113 N 11.23 0.00 -1.01 4.34 0.13 -1.97 -2.27 132.00 142.45 3hqq h PRO 113 Ca -0.41 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.01 3hqq h PRO 113 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 3hqq h PRO 113 CO 0.96 0.03 1.00 0.00 -0.23 0.00 0.00 178.00 179.77 3hqq h ALA 114 N 1.97 2.88 -0.42 -0.56 0.00 -2.01 -2.37 119.26 118.75 3hqq h ALA 114 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hqq h ALA 114 Cb 0.52 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hqq h ALA 114 CO 0.00 -1.52 0.00 1.19 0.00 0.00 0.00 179.25 178.92 3hqq n PHE 115 N -3.55 0.55 0.23 0.00 3.72 -0.85 -4.59 117.46 112.96 3hqq n PHE 115 Ca 0.22 -0.27 0.08 0.00 -0.05 0.00 0.00 57.45 57.43 3hqq n PHE 115 Cb 1.32 0.00 0.55 0.00 -0.94 0.00 0.00 39.48 40.42 3hqq n PHE 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hqq h ALA 116 N 4.33 1.32 -0.07 4.37 0.00 -1.63 -2.82 119.26 124.76 3hqq h ALA 116 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hqq h ALA 116 Cb 0.86 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hqq h ALA 116 CO 0.00 0.27 -0.00 -0.40 0.00 0.00 0.00 179.25 179.12 3hqq n ASP 117 N -3.82 2.75 -2.59 0.00 3.85 -1.26 -0.37 116.55 115.11 3hqq n ASP 117 Ca -0.02 -3.08 -0.01 0.00 -0.71 0.00 0.00 54.79 50.97 3hqq n ASP 117 Cb 0.32 -0.46 0.09 0.00 -1.35 0.00 0.00 41.12 39.71 3hqq n ASP 117 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 3hqq n LYS 118 N -1.19 1.36 -1.12 0.11 2.85 -1.07 -4.75 118.16 114.34 3hqq n LYS 118 Ca 0.17 -2.02 -0.29 0.00 -1.05 0.00 0.00 58.31 55.12 3hqq n LYS 118 Cb 0.71 -0.29 0.16 0.00 -0.65 0.00 0.00 35.03 34.96 3hqq n LYS 118 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3hqq s GLY 119 N -2.08 1.60 0.31 2.58 0.00 -0.75 -4.80 107.32 104.18 3hqq s GLY 119 Ca 0.16 -0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.61 3hqq s GLY 119 CO -0.09 0.40 0.57 -0.51 0.00 0.00 0.00 173.10 173.46 3hqq s THR 120 N -2.90 0.00 0.58 0.90 -4.23 -0.39 -1.49 115.64 108.12 3hqq s THR 120 Ca 0.65 -1.34 0.28 0.00 -1.18 0.00 0.00 61.69 60.10 3hqq s THR 120 Cb -0.19 -2.46 0.36 0.00 1.34 0.00 0.00 72.50 71.56 3hqq s THR 120 CO 0.58 0.00 2.06 0.07 -0.54 0.00 0.00 174.62 176.79 3hqq h LYS 121 N 2.13 0.00 -0.06 3.99 2.10 -1.91 -2.42 116.57 120.40 3hqq h LYS 121 Ca -0.27 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.26 3hqq h LYS 121 Cb 1.25 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.58 3hqq h LYS 121 CO 0.36 0.00 -0.42 -0.44 -2.00 0.00 0.00 179.45 176.95 3hqq h ASP 122 N 0.00 0.47 -2.90 7.07 3.32 -1.92 -3.42 116.42 119.03 3hqq h ASP 122 Ca 0.11 -0.68 -0.01 0.00 0.02 0.00 0.00 57.03 56.48 3hqq h ASP 122 Cb 0.61 -0.14 -0.22 0.00 0.22 0.00 0.00 39.33 39.79 3hqq h ASP 122 CO -0.00 1.08 -0.08 -0.75 -1.72 0.00 0.00 179.24 177.76 3hqq s LYS 123 N -3.52 0.61 0.24 3.56 2.20 -0.91 -0.58 119.74 121.34 3hqq s LYS 123 Ca -0.14 1.16 -0.05 0.00 -0.36 0.00 0.00 55.97 56.58 3hqq s LYS 123 Cb 0.04 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.54 3hqq s LYS 123 CO 0.80 -0.16 0.30 -0.59 -0.36 0.00 0.00 175.35 175.34 3hqq s PHE 124 N 1.79 0.90 -0.09 4.03 -0.71 -0.55 -1.26 117.98 122.08 3hqq s PHE 124 Ca -0.09 -1.15 -0.09 0.00 -1.04 0.00 0.00 56.93 54.55 3hqq s PHE 124 Cb -0.07 -0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.45 3hqq s PHE 124 CO -0.18 -0.84 0.22 -0.47 -1.34 0.00 0.00 175.22 172.61 3hqq s TYR 125 N -3.94 3.62 -0.10 3.49 5.04 -1.26 -0.40 117.35 123.81 3hqq s TYR 125 Ca 0.32 0.65 0.03 0.00 -2.44 0.00 0.00 57.07 55.63 3hqq s TYR 125 Cb 0.03 -2.06 -0.01 0.00 0.35 0.00 0.00 41.96 40.27 3hqq s TYR 125 CO 0.13 0.67 -0.19 0.42 -1.34 0.00 0.00 175.55 175.24 3hqq s ILE 126 N -0.91 2.51 -1.48 3.14 1.01 -0.69 -0.27 121.20 124.51 3hqq s ILE 126 Ca 0.17 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 60.01 3hqq s ILE 126 Cb -0.13 -2.00 0.24 0.00 0.01 0.00 0.00 42.46 40.58 3hqq s ILE 126 CO 0.06 0.55 1.06 -0.90 0.00 0.00 0.00 174.94 175.71 3hqq n ASP 127 N 3.35 1.81 -4.38 3.58 5.68 0.51 -4.37 116.55 122.73 3hqq n ASP 127 Ca -0.18 -2.13 -0.45 0.00 -0.50 0.00 0.00 54.79 51.53 3hqq n ASP 127 Cb 0.53 -0.33 -0.07 0.00 -1.14 0.00 0.00 41.12 40.10 3hqq n ASP 127 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3hqq s TYR 128 N -1.63 3.24 0.48 2.11 5.04 -1.26 -4.92 117.35 120.40 3hqq s TYR 128 Ca 0.17 -0.94 0.32 0.00 -2.44 0.00 0.00 57.07 54.17 3hqq s TYR 128 Cb 0.11 -3.23 1.73 0.00 0.35 0.00 0.00 41.96 40.91 3hqq s TYR 128 CO 0.09 -0.82 2.17 1.96 -1.34 0.00 0.00 175.55 177.61 3hqq h GLN 129 N 8.77 0.00 -0.37 4.97 1.08 -1.92 0.12 115.11 127.76 3hqq h GLN 129 Ca -0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 3hqq h GLN 129 Cb 1.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 3hqq h GLN 129 CO 0.89 0.06 0.00 0.09 -0.95 0.00 0.00 178.83 178.92 3hqq n ASN 130 N -3.55 1.79 -0.19 1.46 3.02 -1.26 -4.57 115.26 111.95 3hqq n ASN 130 Ca -0.02 -2.05 -0.02 0.00 -0.03 0.00 0.00 54.58 52.46 3hqq n ASN 130 Cb 0.17 -0.25 0.05 0.00 -0.61 0.00 0.00 39.78 39.14 3hqq n ASN 130 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3hqq h LEU 131 N 1.76 -0.57 -0.90 3.41 5.85 -1.15 -2.52 115.31 121.18 3hqq h LEU 131 Ca 0.00 0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 3hqq h LEU 131 Cb 0.50 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 3hqq h LEU 131 CO 0.03 -0.20 0.24 0.28 -0.34 0.00 0.00 178.44 178.44 3hqq h SER 132 N -0.01 0.96 0.59 1.25 0.02 -1.85 -1.92 113.55 112.59 3hqq h SER 132 Ca 0.27 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 3hqq h SER 132 Cb 0.43 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3hqq h SER 132 CO -0.60 0.89 -0.39 0.11 -1.14 0.00 0.00 176.83 175.70 3hqq h LYS 133 N 1.01 0.00 0.00 3.45 1.57 -1.79 -3.27 116.57 117.53 3hqq h LYS 133 Ca 0.23 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.81 3hqq h LYS 133 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3hqq h LYS 133 CO -0.01 0.39 -1.56 0.28 -0.57 0.00 0.00 179.45 177.98 3hqq n VAL 134 N -3.78 1.22 -3.94 0.50 0.31 -0.89 -4.88 118.33 106.86 3hqq n VAL 134 Ca -0.01 -0.71 -0.30 0.00 -0.01 0.00 0.00 64.34 63.31 3hqq n VAL 134 Cb 0.46 -0.73 -0.04 0.00 -0.91 0.00 0.00 33.84 32.62 3hqq n VAL 134 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hqq s VAL 135 N -2.87 5.26 0.25 2.52 1.01 -0.77 -4.70 120.40 121.10 3hqq s VAL 135 Ca -0.04 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.52 3hqq s VAL 135 Cb 0.09 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 3hqq s VAL 135 CO 0.82 0.10 -0.11 -0.13 0.00 0.00 0.00 175.10 175.78 3hqq s ARG 136 N -2.62 1.48 0.06 2.72 0.52 -1.26 -4.87 118.95 114.98 3hqq s ARG 136 Ca 0.34 -1.71 -0.37 0.00 -0.52 0.00 0.00 55.73 53.48 3hqq s ARG 136 Cb -0.13 -1.21 -0.17 0.00 0.52 0.00 0.00 34.95 33.96 3hqq s ARG 136 CO 0.27 0.13 1.35 -2.30 0.02 0.00 0.00 175.30 174.78 3hqq n PRO 137 N -0.51 1.10 0.00 3.54 -0.02 -1.26 -1.85 135.00 136.01 3hqq n PRO 137 Ca -0.06 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3hqq n PRO 137 Cb 0.62 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3hqq n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqq n GLY 138 N 2.57 2.66 3.59 -1.23 0.00 0.18 -5.01 105.19 107.96 3hqq n GLY 138 Ca 0.19 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 3hqq n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hqq n ASN 139 N 0.36 0.15 -4.72 1.61 3.02 -0.77 -4.67 115.26 110.23 3hqq n ASN 139 Ca 0.00 0.61 -0.32 0.00 -0.03 0.00 0.00 54.58 54.84 3hqq n ASN 139 Cb 0.00 -1.38 -0.08 0.00 -0.61 0.00 0.00 39.78 37.71 3hqq n ASN 139 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3hqq s TYR 140 N -1.94 3.14 -0.22 3.10 2.02 -1.26 -1.15 117.35 121.03 3hqq s TYR 140 Ca 0.71 0.10 0.01 0.00 -0.37 0.00 0.00 57.07 57.52 3hqq s TYR 140 Cb -0.32 -1.67 0.05 0.00 -0.40 0.00 0.00 41.96 39.62 3hqq s TYR 140 CO 0.53 0.49 -0.07 0.42 -1.57 0.00 0.00 175.55 175.36 3hqq s ILE 141 N -1.17 1.55 -0.07 2.71 1.01 0.05 -4.27 121.20 121.01 3hqq s ILE 141 Ca 0.22 -1.14 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 3hqq s ILE 141 Cb -0.12 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 3hqq s ILE 141 CO 0.13 -0.01 0.42 -0.31 0.00 0.00 0.00 174.94 175.17 3hqq s TYR 142 N 1.40 3.61 -0.02 3.97 2.02 -0.72 -1.75 117.35 125.85 3hqq s TYR 142 Ca -0.04 0.90 0.03 0.00 -0.37 0.00 0.00 57.07 57.58 3hqq s TYR 142 Cb -0.18 -2.40 0.00 0.00 -0.40 0.00 0.00 41.96 38.98 3hqq s TYR 142 CO -0.07 0.40 -0.09 0.42 -1.57 0.00 0.00 175.55 174.64 3hqq s ILE 143 N -0.19 0.80 -0.33 2.71 1.01 -0.19 -0.95 121.20 124.05 3hqq s ILE 143 Ca 0.24 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 3hqq s ILE 143 Cb -0.16 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.60 3hqq s ILE 143 CO 0.11 0.25 0.28 -0.67 0.00 0.00 0.00 174.94 174.91 3hqq n ASP 144 N 3.25 -2.09 0.00 3.58 4.64 -0.87 -1.34 116.55 123.72 3hqq n ASP 144 Ca -0.18 -0.17 0.00 0.00 -1.38 0.00 0.00 54.79 53.06 3hqq n ASP 144 Cb 0.54 -1.77 0.00 0.00 -1.04 0.00 0.00 41.12 38.85 3hqq n ASP 144 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 3hqq n ASP 145 N -1.46 -2.43 0.00 1.67 8.00 -1.26 -3.10 116.55 117.98 3hqq n ASP 145 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 3hqq n ASP 145 Cb 0.54 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 3hqq n ASP 145 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hqq n GLY 146 N -2.81 0.50 0.18 0.44 0.00 -1.25 -4.96 105.19 97.29 3hqq n GLY 146 Ca 0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 3hqq n GLY 146 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hqq h ILE 147 N 0.00 1.35 -3.74 -0.61 2.04 -1.46 -3.42 117.51 111.66 3hqq h ILE 147 Ca 0.00 -1.84 -0.63 0.00 1.00 0.00 0.00 64.86 63.40 3hqq h ILE 147 Cb 0.00 2.12 -0.15 0.00 -0.74 0.00 0.00 36.82 38.05 3hqq h ILE 147 CO 0.00 0.56 -0.43 -0.22 0.00 0.00 0.00 178.15 178.06 3hqq s LEU 148 N -8.57 4.06 -0.31 1.44 2.96 -0.45 -4.97 118.68 112.84 3hqq s LEU 148 Ca -0.12 0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 3hqq s LEU 148 Cb 0.06 -2.22 0.05 0.00 0.50 0.00 0.00 46.19 44.59 3hqq s LEU 148 CO 0.84 -0.05 0.02 -0.63 -1.32 0.00 0.00 176.35 175.21 3hqq s ILE 149 N 1.61 3.10 0.08 6.68 1.01 -1.26 -1.03 121.20 131.40 3hqq s ILE 149 Ca 0.10 -1.39 -0.08 0.00 0.00 0.00 0.00 60.65 59.28 3hqq s ILE 149 Cb -0.15 -2.80 -0.06 0.00 0.01 0.00 0.00 42.46 39.46 3hqq s ILE 149 CO 0.09 -0.14 0.38 -0.76 0.00 0.00 0.00 174.94 174.50 3hqq s LEU 150 N 1.27 4.33 -0.11 2.97 1.43 -0.72 -1.26 118.68 126.59 3hqq s LEU 150 Ca -0.04 0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 53.78 3hqq s LEU 150 Cb -0.20 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 3hqq s LEU 150 CO -0.01 0.16 -0.10 -1.58 0.23 0.00 0.00 176.35 175.05 3hqq s GLN 151 N -2.05 3.17 -0.06 1.70 0.74 0.04 -0.77 119.66 122.44 3hqq s GLN 151 Ca 0.34 -0.63 -0.30 0.00 0.05 0.00 0.00 55.36 54.82 3hqq s GLN 151 Cb -0.13 -2.64 -0.04 0.00 1.10 0.00 0.00 33.01 31.30 3hqq s GLN 151 CO 0.19 0.37 1.28 0.08 -0.55 0.00 0.00 175.29 176.67 3hqq s VAL 152 N -0.05 4.09 -0.24 1.34 1.01 -0.30 -0.50 120.40 125.75 3hqq s VAL 152 Ca -0.01 1.41 -0.08 0.00 0.00 0.00 0.00 61.98 63.30 3hqq s VAL 152 Cb -0.14 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.21 3hqq s VAL 152 CO 0.03 -0.03 -0.29 0.00 0.00 0.00 0.00 175.10 174.82 3hqq n GLN 153 N 5.55 0.54 -3.79 2.72 1.13 -0.40 -0.64 117.38 122.49 3hqq n GLN 153 Ca 0.12 0.20 -0.05 0.00 -1.94 0.00 0.00 57.00 55.33 3hqq n GLN 153 Cb 0.45 -1.40 -0.02 0.00 0.11 0.00 0.00 30.24 29.38 3hqq n GLN 153 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3hqq s SER 154 N -6.95 -0.23 -0.65 1.08 1.04 -1.14 -4.64 113.70 102.21 3hqq s SER 154 Ca -0.34 -0.48 -0.22 0.00 0.48 0.00 0.00 55.95 55.40 3hqq s SER 154 Cb 0.12 0.60 0.07 0.00 0.10 0.00 0.00 66.02 66.91 3hqq s SER 154 CO 0.46 -1.11 0.92 -1.00 0.98 0.00 0.00 173.24 173.50 3hqq s HIS 155 N -3.59 2.72 0.17 5.02 3.76 -1.26 -0.75 115.29 121.36 3hqq s HIS 155 Ca 0.11 -0.60 -0.16 0.00 -0.15 0.00 0.00 55.06 54.27 3hqq s HIS 155 Cb -0.03 -4.24 0.11 0.00 1.11 0.00 0.00 32.58 29.52 3hqq s HIS 155 CO 0.04 -1.59 1.71 1.49 -0.85 0.00 0.00 174.74 175.53 3hqq h GLU 156 N 9.50 0.13 0.00 1.40 4.57 -1.70 -3.47 114.58 125.01 3hqq h GLU 156 Ca -0.29 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 3hqq h GLU 156 Cb 1.07 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 3hqq h GLU 156 CO 1.17 0.09 0.00 -0.40 -1.18 0.00 0.00 179.01 178.68 3hqq n ASP 157 N -5.17 0.00 0.04 1.04 5.68 -0.98 -4.99 116.55 112.19 3hqq n ASP 157 Ca 0.03 -0.62 0.08 0.00 -0.50 0.00 0.00 54.79 53.78 3hqq n ASP 157 Cb 0.20 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.54 3hqq n ASP 157 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3hqq n GLU 158 N 0.00 0.06 0.00 0.11 1.02 -1.26 -3.07 120.64 117.50 3hqq n GLU 158 Ca 0.00 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 3hqq n GLU 158 Cb 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 3hqq n GLU 158 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hqq n GLN 159 N -1.75 -0.18 -4.13 3.49 6.02 -1.26 -4.84 117.38 114.73 3hqq n GLN 159 Ca 0.03 -0.54 -0.17 0.00 -0.01 0.00 0.00 57.00 56.31 3hqq n GLN 159 Cb 0.18 -0.87 -0.15 0.00 1.02 0.00 0.00 30.24 30.42 3hqq n GLN 159 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hqq s THR 160 N -0.14 0.41 -0.13 5.09 2.01 -1.18 -0.53 115.64 121.17 3hqq s THR 160 Ca 0.00 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 3hqq s THR 160 Cb 0.00 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 3hqq s THR 160 CO 0.00 0.15 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.21 3hqq s LEU 161 N 0.31 2.87 -0.07 4.42 1.43 0.83 -1.89 118.68 126.58 3hqq s LEU 161 Ca -0.03 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 3hqq s LEU 161 Cb -0.07 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 3hqq s LEU 161 CO -0.00 0.18 0.95 -0.70 0.23 0.00 0.00 176.35 177.01 3hqq s GLU 162 N 0.26 4.47 0.12 1.70 2.12 0.07 -0.88 118.70 126.56 3hqq s GLU 162 Ca -0.08 1.32 0.10 0.00 0.36 0.00 0.00 54.97 56.67 3hqq s GLU 162 Cb -0.15 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 3hqq s GLU 162 CO 0.05 -0.18 -0.24 0.00 -0.54 0.00 0.00 175.26 174.35 3hqq s THR 164 N -1.14 4.82 -0.37 0.00 2.01 0.35 -1.83 115.64 119.48 3hqq s THR 164 Ca 0.11 1.14 -0.25 0.00 0.31 0.00 0.00 61.69 62.99 3hqq s THR 164 Cb -0.10 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.56 3hqq s THR 164 CO 0.05 0.54 0.88 -0.69 -0.69 0.00 0.00 174.62 174.72 3hqq s VAL 165 N -0.98 4.63 -0.33 3.82 1.01 0.14 -0.78 120.40 127.91 3hqq s VAL 165 Ca 0.28 1.10 0.23 0.00 0.00 0.00 0.00 61.98 63.59 3hqq s VAL 165 Cb -0.19 -4.29 0.13 0.00 0.00 0.00 0.00 36.38 32.03 3hqq s VAL 165 CO 0.17 -0.50 1.27 0.71 0.00 0.00 0.00 175.10 176.76 3hqq h THR 166 N 5.80 0.00 -2.78 3.92 1.35 -1.50 0.83 112.91 120.53 3hqq h THR 166 Ca -0.24 -0.98 -0.09 0.00 -0.55 0.00 0.00 66.41 64.56 3hqq h THR 166 Cb 1.08 1.68 -0.18 0.00 -1.73 0.00 0.00 68.15 69.00 3hqq h THR 166 CO 0.96 0.00 -0.08 0.54 -0.25 0.00 0.00 175.52 176.68 3hqq s ASN 167 N -5.65 -0.35 0.33 5.36 4.22 -1.25 -4.77 114.94 112.84 3hqq s ASN 167 Ca 0.03 0.21 -0.26 0.00 -2.14 0.00 0.00 52.86 50.69 3hqq s ASN 167 Cb 0.08 0.42 -0.09 0.00 1.28 0.00 0.00 41.25 42.93 3hqq s ASN 167 CO 0.74 -0.58 1.02 -0.44 -2.04 0.00 0.00 177.10 175.80 3hqq s SER 168 N -1.58 7.13 -0.30 3.54 0.01 -1.26 -4.50 113.70 116.73 3hqq s SER 168 Ca -0.09 2.02 -0.19 0.00 1.31 0.00 0.00 55.95 59.00 3hqq s SER 168 Cb -0.02 -2.60 0.20 0.00 0.21 0.00 0.00 66.02 63.81 3hqq s SER 168 CO 0.03 -0.23 1.29 -2.28 0.41 0.00 0.00 173.24 172.46 3hqq s HIS 169 N -1.49 -0.12 -0.01 2.43 5.04 -0.19 -4.95 115.29 116.01 3hqq s HIS 169 Ca 0.51 0.25 -0.25 0.00 -1.54 0.00 0.00 55.06 54.03 3hqq s HIS 169 Cb -0.24 0.22 -0.04 0.00 0.04 0.00 0.00 32.58 32.56 3hqq s HIS 169 CO 0.30 -0.06 0.77 0.99 -2.34 0.00 0.00 174.74 174.40 3hqq s THR 170 N 0.71 4.88 -0.06 0.89 2.01 -1.26 -2.04 115.64 120.76 3hqq s THR 170 Ca -0.03 1.62 0.06 0.00 0.31 0.00 0.00 61.69 63.65 3hqq s THR 170 Cb -0.03 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.35 3hqq s THR 170 CO -0.12 0.29 -0.24 0.27 -0.69 0.00 0.00 174.62 174.14 3hqq s ILE 171 N 0.43 1.95 0.32 1.82 -4.36 -0.84 -4.96 121.20 115.56 3hqq s ILE 171 Ca 0.40 -1.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.80 3hqq s ILE 171 Cb -0.19 -1.66 0.06 0.00 1.25 0.00 0.00 42.46 41.92 3hqq s ILE 171 CO 0.22 0.54 0.44 -1.54 0.24 0.00 0.00 174.94 174.84 3hqq n SER 172 N 3.07 0.75 -4.69 4.36 3.41 -1.26 -1.77 113.62 117.48 3hqq n SER 172 Ca -0.18 -1.59 -0.44 0.00 -0.26 0.00 0.00 58.87 56.40 3hqq n SER 172 Cb 0.52 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 3hqq n SER 172 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hqq n ASP 173 N -2.87 2.85 -3.29 4.04 9.92 -1.19 -4.05 116.55 121.96 3hqq n ASP 173 Ca 0.08 1.17 -0.18 0.00 -0.53 0.00 0.00 54.79 55.33 3hqq n ASP 173 Cb 0.28 -1.46 0.08 0.00 -0.64 0.00 0.00 41.12 39.38 3hqq n ASP 173 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3hqq n ARG 174 N 1.52 -6.54 -2.12 -1.24 1.74 -0.44 -5.00 116.66 104.59 3hqq n ARG 174 Ca 0.09 0.78 -0.32 0.00 -0.77 0.00 0.00 57.85 57.63 3hqq n ARG 174 Cb 0.34 -5.63 -0.00 0.00 -1.02 0.00 0.00 32.46 26.14 3hqq n ARG 174 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hqq s ARG 175 N -5.56 3.50 0.45 5.56 3.00 -1.26 -4.61 118.95 120.04 3hqq s ARG 175 Ca 0.17 1.09 -0.21 0.00 0.00 0.00 0.00 55.73 56.77 3hqq s ARG 175 Cb -0.07 -2.06 -0.10 0.00 0.00 0.00 0.00 34.95 32.72 3hqq s ARG 175 CO 0.68 -0.65 1.00 0.20 0.00 0.00 0.00 175.30 176.53 3hqq s GLY 176 N -3.00 2.50 0.18 -3.53 0.00 -1.26 -0.83 107.32 101.38 3hqq s GLY 176 Ca 0.61 0.54 0.10 0.00 0.00 0.00 0.00 44.72 45.97 3hqq s GLY 176 CO 0.37 0.86 -0.22 -1.34 0.00 0.00 0.00 173.10 172.77 3hqq s VAL 177 N -2.00 2.14 0.32 1.40 -7.23 -0.17 -2.05 120.40 112.81 3hqq s VAL 177 Ca 0.64 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.90 3hqq s VAL 177 Cb -0.14 -2.00 -0.06 0.00 0.56 0.00 0.00 36.38 34.74 3hqq s VAL 177 CO 0.18 -0.17 0.01 0.20 -0.31 0.00 0.00 175.10 175.01 3hqq s ASN 178 N -2.61 2.70 -0.42 4.85 0.01 -0.12 -4.58 114.94 114.76 3hqq s ASN 178 Ca 0.18 -1.30 0.05 0.00 -0.71 0.00 0.00 52.86 51.08 3hqq s ASN 178 Cb -0.07 -0.15 0.19 0.00 0.41 0.00 0.00 41.25 41.62 3hqq s ASN 178 CO 0.08 -0.48 0.38 0.18 -1.51 0.00 0.00 177.10 175.75 3hqq n LEU 179 N -0.67 -0.23 0.25 0.60 4.32 -1.26 -1.76 117.00 118.24 3hqq n LEU 179 Ca -0.04 -4.46 0.12 0.00 -0.02 0.00 0.00 56.01 51.60 3hqq n LEU 179 Cb 0.65 0.52 0.65 0.00 -1.62 0.00 0.00 43.42 43.62 3hqq n LEU 179 CO 0.42 1.90 0.92 1.55 -1.22 0.00 0.00 177.39 180.96 3hqq h PRO 180 N 5.31 0.00 -0.67 3.23 0.13 -1.86 0.06 132.00 138.20 3hqq h PRO 180 Ca 0.23 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 65.06 3hqq h PRO 180 Cb 0.90 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.85 3hqq h PRO 180 CO 0.40 0.16 0.28 0.41 -0.23 0.00 0.00 178.00 179.01 3hqq n GLY 181 N -0.44 4.39 3.01 1.56 0.00 -1.26 -4.92 105.19 107.53 3hqq n GLY 181 Ca -0.01 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 3hqq n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqq s ASP 183 N 0.14 6.17 0.12 0.00 1.01 -1.26 -4.88 116.67 117.97 3hqq s ASP 183 Ca -0.02 -0.81 -0.30 0.00 0.71 0.00 0.00 52.55 52.13 3hqq s ASP 183 Cb -0.08 -2.47 -0.06 0.00 1.01 0.00 0.00 42.92 41.32 3hqq s ASP 183 CO 0.00 -1.58 1.02 -0.69 0.21 0.00 0.00 175.17 174.13 3hqq s VAL 184 N 4.66 4.32 -0.21 -1.27 1.01 -1.26 -4.96 120.40 122.69 3hqq s VAL 184 Ca 0.27 1.91 0.11 0.00 0.00 0.00 0.00 61.98 64.27 3hqq s VAL 184 Cb -0.13 -4.22 0.42 0.00 0.00 0.00 0.00 36.38 32.45 3hqq s VAL 184 CO 0.12 0.28 1.22 -0.90 0.00 0.00 0.00 175.10 175.81 3hqq n ASP 185 N 2.82 2.05 -4.56 3.32 3.85 -1.26 -5.01 116.55 117.76 3hqq n ASP 185 Ca 0.03 -3.84 -0.38 0.00 -0.71 0.00 0.00 54.79 49.89 3hqq n ASP 185 Cb 0.48 -0.50 0.05 0.00 -1.35 0.00 0.00 41.12 39.79 3hqq n ASP 185 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3hqq n LEU 186 N -1.04 2.56 -4.67 -2.12 4.77 -1.26 -4.93 117.00 110.31 3hqq n LEU 186 Ca 0.21 0.79 -0.31 0.00 -0.03 0.00 0.00 56.01 56.67 3hqq n LEU 186 Cb 0.73 -1.31 0.17 0.00 -2.33 0.00 0.00 43.42 40.68 3hqq n LEU 186 CO 0.01 -2.30 0.68 -2.65 -1.33 0.00 0.00 177.39 171.80 3hqq n PRO 187 N -0.63 -0.44 -0.09 3.23 -0.02 -1.26 -4.90 135.00 130.90 3hqq n PRO 187 Ca 0.13 -0.06 -0.07 0.00 -2.02 0.00 0.00 63.50 61.48 3hqq n PRO 187 Cb 0.47 -2.38 0.10 0.00 -0.02 0.00 0.00 33.50 31.67 3hqq n PRO 187 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqq h ALA 188 N -1.86 0.92 -3.13 3.55 0.00 -1.92 -3.42 119.26 113.41 3hqq h ALA 188 Ca -0.43 -0.35 -0.59 0.00 0.00 0.00 0.00 54.91 53.54 3hqq h ALA 188 Cb 1.27 -0.16 -0.36 0.00 0.00 0.00 0.00 17.79 18.54 3hqq h ALA 188 CO 0.41 0.62 -0.83 0.08 0.00 0.00 0.00 179.25 179.53 3hqq s VAL 189 N -4.68 1.50 1.04 0.00 1.01 -1.26 -4.66 120.40 113.35 3hqq s VAL 189 Ca -0.09 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 3hqq s VAL 189 Cb 0.13 -1.41 0.21 0.00 0.00 0.00 0.00 36.38 35.31 3hqq s VAL 189 CO 0.83 0.45 1.13 -0.94 0.00 0.00 0.00 175.10 176.56 3hqq s SER 190 N 1.50 2.30 0.20 3.32 1.04 -1.26 -4.83 113.70 115.96 3hqq s SER 190 Ca 0.05 0.87 -0.07 0.00 0.48 0.00 0.00 55.95 57.28 3hqq s SER 190 Cb -0.13 -1.34 0.13 0.00 0.10 0.00 0.00 66.02 64.79 3hqq s SER 190 CO -0.10 -3.30 1.66 0.00 0.98 0.00 0.00 173.24 172.48 3hqq h ALA 191 N -2.01 0.88 -0.69 5.32 0.00 -1.99 -1.57 119.26 119.20 3hqq h ALA 191 Ca -0.50 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.04 3hqq h ALA 191 Cb 1.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3hqq h ALA 191 CO 0.50 0.65 0.21 -0.22 0.00 0.00 0.00 179.25 180.39 3hqq h LYS 192 N 0.89 1.08 -0.64 0.00 3.64 -1.98 -2.78 116.57 116.77 3hqq h LYS 192 Ca 0.15 -0.24 0.06 0.00 -1.27 0.00 0.00 60.65 59.36 3hqq h LYS 192 Cb 0.58 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 3hqq h LYS 192 CO 0.03 0.93 0.35 -0.44 -2.27 0.00 0.00 179.45 178.06 3hqq h ASP 193 N 1.01 0.51 -0.89 4.20 3.32 -1.84 0.83 116.42 123.56 3hqq h ASP 193 Ca 0.22 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.36 3hqq h ASP 193 Cb 0.31 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.74 3hqq h ASP 193 CO -0.01 0.33 0.57 -0.09 -1.72 0.00 0.00 179.24 178.32 3hqq h ARG 194 N 0.64 1.02 0.00 3.56 2.43 -1.04 3.22 114.38 124.21 3hqq h ARG 194 Ca 0.29 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3hqq h ARG 194 Cb 0.20 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3hqq h ARG 194 CO -0.19 0.68 -0.27 0.28 -1.51 0.00 0.00 179.97 178.96 3hqq h VAL 195 N 1.05 0.55 0.04 0.20 2.07 -1.12 -2.78 116.25 116.26 3hqq h VAL 195 Ca 0.38 -1.43 -0.23 0.00 0.82 0.00 0.00 66.70 66.24 3hqq h VAL 195 Cb 0.12 2.00 0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3hqq h VAL 195 CO -0.16 0.27 -0.92 0.44 0.02 0.00 0.00 177.57 177.22 3hqq h ASP 196 N 0.00 0.74 -0.67 0.57 3.32 1.02 -2.98 116.42 118.42 3hqq h ASP 196 Ca -0.00 -0.78 -0.05 0.00 0.02 0.00 0.00 57.03 56.21 3hqq h ASP 196 Cb 0.98 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 3hqq h ASP 196 CO 0.04 1.44 0.22 -0.07 -1.72 0.00 0.00 179.24 179.14 3hqq h LEU 197 N 0.14 0.97 -0.87 1.55 3.38 0.49 -2.75 115.31 118.21 3hqq h LEU 197 Ca -0.13 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 3hqq h LEU 197 Cb 1.61 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 3hqq h LEU 197 CO 0.18 0.92 0.42 -0.61 0.09 0.00 0.00 178.44 179.44 3hqq h GLN 198 N 0.97 1.23 -0.80 1.13 5.75 -1.55 -2.34 115.11 119.51 3hqq h GLN 198 Ca 0.22 -0.18 -0.04 0.00 -0.15 0.00 0.00 58.65 58.50 3hqq h GLN 198 Cb 0.29 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 3hqq h GLN 198 CO -0.01 0.94 0.33 0.35 -2.65 0.00 0.00 178.83 177.79 3hqq h PHE 199 N 1.22 1.20 -0.79 3.99 3.57 -1.45 -1.29 116.94 123.39 3hqq h PHE 199 Ca 0.30 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3hqq h PHE 199 Cb 0.10 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 3hqq h PHE 199 CO 0.01 0.90 0.34 0.78 -2.23 0.00 0.00 178.31 178.12 3hqq h GLY 200 N 1.15 1.25 0.95 2.40 0.00 -1.17 -0.99 103.07 106.66 3hqq h GLY 200 Ca 0.27 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3hqq h GLY 200 CO -0.02 0.62 0.16 -2.08 0.00 0.00 0.00 176.54 175.22 3hqq h VAL 201 N 1.14 1.20 -0.82 4.60 2.07 -1.04 -1.18 116.25 122.21 3hqq h VAL 201 Ca 0.27 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3hqq h VAL 201 Cb 0.17 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3hqq h VAL 201 CO -0.03 0.22 0.44 -0.33 0.02 0.00 0.00 177.57 177.89 3hqq h GLU 202 N 0.51 1.15 -0.36 1.57 5.08 -0.89 -2.04 114.58 119.61 3hqq h GLU 202 Ca 0.14 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hqq h GLU 202 Cb 0.19 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3hqq h GLU 202 CO -0.01 0.86 0.00 1.04 -1.00 0.00 0.00 179.01 179.90 3hqq n GLN 203 N -4.38 1.92 -3.53 2.33 1.13 -0.41 -4.94 117.38 109.50 3hqq n GLN 203 Ca 0.08 -1.42 -0.22 0.00 -1.94 0.00 0.00 57.00 53.50 3hqq n GLN 203 Cb 0.11 -1.34 0.08 0.00 0.11 0.00 0.00 30.24 29.20 3hqq n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hqq n GLY 204 N 1.16 -0.48 3.76 1.08 0.00 -0.77 -4.99 105.19 104.96 3hqq n GLY 204 Ca 0.14 0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 3hqq n GLY 204 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqq s VAL 205 N -3.33 2.70 0.10 1.61 -7.23 -0.48 -4.99 120.40 108.79 3hqq s VAL 205 Ca 0.42 0.51 -0.16 0.00 -1.81 0.00 0.00 61.98 60.95 3hqq s VAL 205 Cb -0.18 -3.26 -0.07 0.00 0.56 0.00 0.00 36.38 33.43 3hqq s VAL 205 CO 0.72 -0.02 1.47 0.44 -0.31 0.00 0.00 175.10 177.40 3hqq h ASP 206 N 1.72 0.67 -5.17 4.85 3.32 -1.80 -3.46 116.42 116.55 3hqq h ASP 206 Ca -0.50 -0.41 -0.09 0.00 0.02 0.00 0.00 57.03 56.05 3hqq h ASP 206 Cb 1.27 -0.19 -0.14 0.00 0.22 0.00 0.00 39.33 40.49 3hqq h ASP 206 CO 0.59 0.93 -0.40 0.00 -1.72 0.00 0.00 179.24 178.63 3hqq s MET 207 N -4.61 0.82 -0.14 3.56 0.23 -1.15 -2.78 119.30 115.24 3hqq s MET 207 Ca -0.13 -0.99 -0.00 0.00 -1.03 0.00 0.00 55.69 53.54 3hqq s MET 207 Cb 0.09 0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 33.70 3hqq s MET 207 CO 0.80 -0.25 -0.13 0.42 -2.03 0.00 0.00 175.02 173.83 3hqq s ILE 208 N -3.87 3.03 -0.53 3.16 -1.09 -0.20 -1.35 121.20 120.35 3hqq s ILE 208 Ca 0.05 -0.66 -0.19 0.00 -2.23 0.00 0.00 60.65 57.62 3hqq s ILE 208 Cb 0.05 -2.28 0.07 0.00 -1.58 0.00 0.00 42.46 38.73 3hqq s ILE 208 CO -0.11 0.52 0.63 -0.36 -1.23 0.00 0.00 174.94 174.39 3hqq s PHE 209 N 0.45 3.05 -0.42 3.97 0.08 0.33 -0.84 117.98 124.60 3hqq s PHE 209 Ca -0.10 -0.68 -0.23 0.00 0.12 0.00 0.00 56.93 56.05 3hqq s PHE 209 Cb -0.16 -3.64 0.02 0.00 -0.57 0.00 0.00 43.02 38.67 3hqq s PHE 209 CO 0.05 -1.08 0.79 0.00 -0.10 0.00 0.00 175.22 174.87 3hqq s ALA 210 N 2.58 3.33 0.60 5.36 0.00 -0.02 -3.42 121.76 130.19 3hqq s ALA 210 Ca 0.13 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 51.03 3hqq s ALA 210 Cb -0.21 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 3hqq s ALA 210 CO 0.10 -1.78 1.19 -1.12 0.00 0.00 0.00 175.76 174.14 3hqq s SER 211 N 2.05 5.18 -1.37 0.00 0.01 -1.26 -2.05 113.70 116.26 3hqq s SER 211 Ca 0.31 2.32 -0.01 0.00 1.31 0.00 0.00 55.95 59.88 3hqq s SER 211 Cb -0.12 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.51 3hqq s SER 211 CO 0.21 -1.59 0.50 0.33 0.41 0.00 0.00 173.24 173.10 3hqq n PHE 212 N -1.70 -1.73 -2.62 2.43 7.35 -1.26 -4.90 117.46 115.04 3hqq n PHE 212 Ca 0.13 0.77 -0.42 0.00 -0.76 0.00 0.00 57.45 57.16 3hqq n PHE 212 Cb 0.50 -3.93 -0.03 0.00 0.35 0.00 0.00 39.48 36.38 3hqq n PHE 212 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3hqq s ILE 213 N -3.87 4.07 0.29 -2.13 -1.09 -1.10 -4.90 121.20 112.48 3hqq s ILE 213 Ca 0.01 0.85 0.08 0.00 -2.23 0.00 0.00 60.65 59.36 3hqq s ILE 213 Cb -0.00 -4.70 0.02 0.00 -1.58 0.00 0.00 42.46 36.20 3hqq s ILE 213 CO 0.87 -1.29 1.68 0.08 -1.23 0.00 0.00 174.94 175.04 3hqq h ARG 214 N 9.50 0.12 -3.40 2.79 -0.00 -1.90 -3.36 114.38 118.13 3hqq h ARG 214 Ca -0.25 -0.07 -0.05 0.00 -0.00 0.00 0.00 59.98 59.62 3hqq h ARG 214 Cb 1.06 0.00 -0.12 0.00 -0.00 0.00 0.00 29.97 30.91 3hqq h ARG 214 CO 1.17 0.59 -0.06 -1.54 -0.00 0.00 0.00 179.97 180.14 3hqq s SER 215 N -6.89 -0.22 0.31 0.08 1.04 -1.26 -4.06 113.70 102.70 3hqq s SER 215 Ca -0.03 -0.41 0.02 0.00 0.48 0.00 0.00 55.95 56.01 3hqq s SER 215 Cb 0.13 0.50 0.51 0.00 0.10 0.00 0.00 66.02 67.27 3hqq s SER 215 CO 0.76 -0.92 1.83 0.00 0.98 0.00 0.00 173.24 175.90 3hqq h ALA 216 N 2.32 1.28 -0.69 5.32 0.00 -1.88 -2.77 119.26 122.84 3hqq h ALA 216 Ca -0.32 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 3hqq h ALA 216 Cb 1.26 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3hqq h ALA 216 CO 0.44 0.48 0.23 1.49 0.00 0.00 0.00 179.25 181.89 3hqq h GLU 217 N 0.57 1.05 -0.76 0.00 4.81 -1.95 -2.86 114.58 115.45 3hqq h GLU 217 Ca 0.12 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 3hqq h GLU 217 Cb 0.38 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3hqq h GLU 217 CO 0.01 0.89 0.26 0.37 -0.73 0.00 0.00 179.01 179.82 3hqq h GLN 218 N 1.02 1.15 -0.64 1.92 4.15 -1.90 -2.09 115.11 118.72 3hqq h GLN 218 Ca 0.23 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3hqq h GLN 218 Cb 0.27 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 3hqq h GLN 218 CO -0.01 0.96 0.34 0.28 -1.93 0.00 0.00 178.83 178.46 3hqq h VAL 219 N 1.11 1.21 -0.85 2.39 2.07 -1.38 -1.36 116.25 119.44 3hqq h VAL 219 Ca 0.25 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3hqq h VAL 219 Cb 0.27 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3hqq h VAL 219 CO -0.01 0.24 0.46 1.23 0.02 0.00 0.00 177.57 179.50 3hqq h GLY 220 N 0.88 1.27 1.31 2.17 0.00 -1.26 -0.39 103.07 107.05 3hqq h GLY 220 Ca 0.22 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 3hqq h GLY 220 CO -0.03 0.55 0.19 -0.55 0.00 0.00 0.00 176.54 176.70 3hqq h ASP 221 N 1.19 0.80 -0.72 0.19 3.32 -0.75 -0.96 116.42 119.49 3hqq h ASP 221 Ca 0.30 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3hqq h ASP 221 Cb 0.04 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3hqq h ASP 221 CO -0.05 0.75 0.18 0.58 -1.72 0.00 0.00 179.24 178.99 3hqq h VAL 222 N 0.85 1.26 -0.67 -1.35 2.07 -0.17 -1.82 116.25 116.43 3hqq h VAL 222 Ca 0.19 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 3hqq h VAL 222 Cb 0.23 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3hqq h VAL 222 CO -0.01 0.38 0.24 -0.09 0.02 0.00 0.00 177.57 178.11 3hqq h ARG 223 N 1.09 1.00 -0.07 1.57 9.65 -0.56 -2.17 114.38 124.89 3hqq h ARG 223 Ca 0.23 -0.18 -0.23 0.00 -1.10 0.00 0.00 59.98 58.70 3hqq h ARG 223 Cb 0.37 -0.16 0.01 0.00 -1.39 0.00 0.00 29.97 28.80 3hqq h ARG 223 CO 0.00 0.84 -0.87 -0.22 2.80 0.00 0.00 179.97 182.51 3hqq h LYS 224 N 0.98 0.62 -0.36 0.20 3.64 -1.09 -2.69 116.57 117.87 3hqq h LYS 224 Ca 0.22 -0.58 -0.06 0.00 -1.27 0.00 0.00 60.65 58.97 3hqq h LYS 224 Cb 0.23 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3hqq h LYS 224 CO -0.01 1.19 -0.02 0.00 -2.27 0.00 0.00 179.45 178.34 3hqq h ALA 225 N 0.63 1.30 -0.39 5.00 0.00 -1.16 -2.50 119.26 122.14 3hqq h ALA 225 Ca -0.07 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 3hqq h ALA 225 Cb 1.50 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 3hqq h ALA 225 CO 0.17 0.47 -0.07 -0.07 0.00 0.00 0.00 179.25 179.75 3hqq h LEU 226 N 0.54 0.64 0.00 0.00 3.38 -1.21 -3.44 115.31 115.22 3hqq h LEU 226 Ca 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hqq h LEU 226 Cb 0.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3hqq h LEU 226 CO 0.01 0.76 0.00 0.61 0.09 0.00 0.00 178.44 179.91 3hqq n GLY 227 N -0.60 -2.00 0.27 0.83 0.00 -0.94 -3.08 105.19 99.67 3hqq n GLY 227 Ca 0.01 -1.43 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 3hqq n GLY 227 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqq h PRO 228 N 0.00 0.93 0.00 1.61 0.11 -1.89 -2.77 132.00 130.00 3hqq h PRO 228 Ca 0.00 -0.23 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 3hqq h PRO 228 Cb 0.00 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 3hqq h PRO 228 CO 0.00 0.87 -0.09 0.87 -0.21 0.00 0.00 178.00 179.44 3hqq h LYS 229 N 0.83 0.00 -0.67 1.05 1.79 -2.00 -2.98 116.57 114.59 3hqq h LYS 229 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 3hqq h LYS 229 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 3hqq h LYS 229 CO 0.01 0.09 0.00 0.41 -1.08 0.00 0.00 179.45 178.88 3hqq n GLY 230 N -0.88 2.64 0.24 3.86 0.00 -1.06 -4.70 105.19 105.29 3hqq n GLY 230 Ca -0.02 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.29 3hqq n GLY 230 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hqq h ARG 231 N 4.03 0.00 -0.47 1.61 0.11 -1.39 -2.50 114.38 115.76 3hqq h ARG 231 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hqq h ARG 231 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 3hqq h ARG 231 CO 0.08 0.16 0.00 -0.25 0.10 0.00 0.00 179.97 180.06 3hqq n ASP 232 N -4.07 2.92 -4.74 0.08 8.00 -1.26 -4.87 116.55 112.60 3hqq n ASP 232 Ca -0.02 -1.96 -0.40 0.00 0.71 0.00 0.00 54.79 53.12 3hqq n ASP 232 Cb 0.24 -0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 40.98 3hqq n ASP 232 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hqq s ILE 233 N -1.38 4.77 0.12 0.53 1.01 -0.94 -5.00 121.20 120.31 3hqq s ILE 233 Ca 0.37 1.62 -0.30 0.00 0.00 0.00 0.00 60.65 62.35 3hqq s ILE 233 Cb 0.20 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 3hqq s ILE 233 CO 0.27 0.34 1.07 -0.04 0.00 0.00 0.00 174.94 176.59 3hqq s MET 234 N 0.08 4.59 -0.39 2.79 -1.94 -1.12 -4.92 119.30 118.39 3hqq s MET 234 Ca 0.39 1.63 -0.11 0.00 -1.71 0.00 0.00 55.69 55.89 3hqq s MET 234 Cb -0.20 -3.33 0.03 0.00 2.01 0.00 0.00 34.83 33.34 3hqq s MET 234 CO 0.23 0.04 0.22 0.42 -0.01 0.00 0.00 175.02 175.92 3hqq s ILE 235 N 0.17 4.59 -0.26 2.53 1.01 -1.26 -1.03 121.20 126.96 3hqq s ILE 235 Ca 0.51 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 60.08 3hqq s ILE 235 Cb -0.27 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3hqq s ILE 235 CO 0.32 -0.29 0.38 -0.63 0.00 0.00 0.00 174.94 174.72 3hqq s ILE 236 N 1.55 5.18 -0.30 2.92 -1.09 -0.02 -1.70 121.20 127.73 3hqq s ILE 236 Ca 0.02 0.59 -0.15 0.00 -2.23 0.00 0.00 60.65 58.89 3hqq s ILE 236 Cb -0.20 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 3hqq s ILE 236 CO 0.06 0.18 0.36 0.00 -1.23 0.00 0.00 174.94 174.31 3hqq s LYS 238 N 2.03 4.45 -0.39 0.00 1.02 -0.87 -1.39 119.74 124.59 3hqq s LYS 238 Ca 0.13 1.55 -0.13 0.00 0.02 0.00 0.00 55.97 57.55 3hqq s LYS 238 Cb -0.16 -3.48 0.03 0.00 -0.52 0.00 0.00 37.83 33.70 3hqq s LYS 238 CO 0.11 -0.25 0.25 0.42 -0.92 0.00 0.00 175.35 174.95 3hqq s ILE 239 N 1.54 4.84 0.00 2.17 -1.09 -0.26 -2.72 121.20 125.69 3hqq s ILE 239 Ca 0.54 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 58.16 3hqq s ILE 239 Cb -0.23 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 3hqq s ILE 239 CO 0.24 -0.28 0.03 -0.62 -1.23 0.00 0.00 174.94 173.09 3hqq n GLU 240 N 5.06 4.24 -3.45 2.79 1.02 -1.26 -2.52 120.64 126.52 3hqq n GLU 240 Ca -0.11 -0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 56.86 3hqq n GLU 240 Cb 0.46 -0.38 -0.05 0.00 -0.02 0.00 0.00 31.44 31.46 3hqq n GLU 240 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3hqq n ASN 241 N -0.61 0.39 -0.07 1.62 0.23 -1.26 -2.38 115.26 113.17 3hqq n ASN 241 Ca 0.00 -2.36 -0.10 0.00 -0.53 0.00 0.00 54.58 51.59 3hqq n ASN 241 Cb 0.01 0.83 -0.03 0.00 -2.08 0.00 0.00 39.78 38.51 3hqq n ASN 241 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 3hqq h HIS 242 N 1.54 0.35 -0.75 -2.53 -0.00 -1.91 -2.77 115.15 109.07 3hqq h HIS 242 Ca -0.17 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.13 3hqq h HIS 242 Cb 0.75 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 28.02 3hqq h HIS 242 CO 0.00 0.34 0.30 1.96 -0.00 0.00 0.00 177.93 180.53 3hqq h GLN 243 N 0.26 1.13 -0.65 5.26 4.20 -1.93 -1.57 115.11 121.82 3hqq h GLN 243 Ca 0.08 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 3hqq h GLN 243 Cb 0.12 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 3hqq h GLN 243 CO -0.01 0.93 0.32 0.78 -0.67 0.00 0.00 178.83 180.17 3hqq h GLY 244 N 1.09 1.00 1.00 3.46 0.00 -1.68 -1.31 103.07 106.63 3hqq h GLY 244 Ca 0.25 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3hqq h GLY 244 CO -0.02 0.47 0.21 -2.08 0.00 0.00 0.00 176.54 175.12 3hqq h VAL 245 N 0.90 1.23 -0.60 4.60 2.07 -1.21 -2.95 116.25 120.30 3hqq h VAL 245 Ca 0.22 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 3hqq h VAL 245 Cb 0.11 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3hqq h VAL 245 CO -0.03 0.29 0.22 -0.61 0.02 0.00 0.00 177.57 177.46 3hqq h GLN 246 N 0.82 0.88 -0.75 1.57 4.15 -0.98 -2.96 115.11 117.83 3hqq h GLN 246 Ca 0.19 -0.15 -0.15 0.00 0.77 0.00 0.00 58.65 59.32 3hqq h GLN 246 Cb 0.24 -0.15 -0.09 0.00 0.21 0.00 0.00 27.48 27.69 3hqq h GLN 246 CO -0.01 0.73 0.19 0.09 -1.93 0.00 0.00 178.83 177.90 3hqq n ASN 247 N -4.31 4.71 -0.34 -0.69 3.02 -0.52 -4.73 115.26 112.40 3hqq n ASN 247 Ca 0.05 -3.01 -0.04 0.00 -0.03 0.00 0.00 54.58 51.55 3hqq n ASN 247 Cb 0.18 -0.71 0.09 0.00 -0.61 0.00 0.00 39.78 38.73 3hqq n ASN 247 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3hqq h ILE 248 N 2.68 1.26 -0.27 2.41 6.09 -1.35 -2.03 117.51 126.30 3hqq h ILE 248 Ca 0.18 -0.62 -0.01 0.00 -1.37 0.00 0.00 64.86 63.03 3hqq h ILE 248 Cb 2.08 0.02 -0.01 0.00 0.47 0.00 0.00 36.82 39.38 3hqq h ILE 248 CO 0.61 0.29 0.12 0.44 -3.07 0.00 0.00 178.15 176.53 3hqq h ASP 249 N 1.27 0.36 -0.56 2.19 3.32 -1.88 0.11 116.42 121.24 3hqq h ASP 249 Ca 0.32 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3hqq h ASP 249 Cb 0.01 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3hqq h ASP 249 CO -0.05 0.41 0.09 0.77 -1.72 0.00 0.00 179.24 178.74 3hqq h SER 250 N 0.29 0.92 -0.56 6.45 4.64 -1.91 -1.78 113.55 121.60 3hqq h SER 250 Ca 0.09 -0.20 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 3hqq h SER 250 Cb 0.15 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3hqq h SER 250 CO -0.01 0.92 0.12 0.40 -0.87 0.00 0.00 176.83 177.39 3hqq h ILE 251 N 0.91 1.25 -0.81 0.95 2.04 -1.14 -2.69 117.51 118.03 3hqq h ILE 251 Ca 0.18 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3hqq h ILE 251 Cb 0.40 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3hqq h ILE 251 CO 0.01 0.34 0.38 0.40 0.00 0.00 0.00 178.15 179.28 3hqq h ILE 252 N 0.80 1.25 0.00 -0.67 2.04 -0.63 -1.25 117.51 119.05 3hqq h ILE 252 Ca 0.17 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.33 3hqq h ILE 252 Cb 0.37 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3hqq h ILE 252 CO 0.01 0.31 -0.19 -0.33 0.00 0.00 0.00 178.15 177.95 3hqq h GLU 253 N 1.15 -0.29 -0.40 2.37 4.39 -1.19 -3.06 114.58 117.55 3hqq h GLU 253 Ca 0.28 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.92 3hqq h GLU 253 Cb 0.13 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3hqq h GLU 253 CO -0.03 -0.20 -0.06 0.93 -1.16 0.00 0.00 179.01 178.49 3hqq h GLU 254 N -0.30 0.67 -7.60 2.33 4.39 -1.30 -3.46 114.58 109.30 3hqq h GLU 254 Ca 0.06 -0.19 -0.46 0.00 0.34 0.00 0.00 59.36 59.11 3hqq h GLU 254 Cb 0.38 -0.07 0.12 0.00 -0.10 0.00 0.00 28.75 29.07 3hqq h GLU 254 CO -0.18 0.73 0.37 -1.54 -1.16 0.00 0.00 179.01 177.24 3hqq s SER 255 N -6.70 3.91 0.00 1.42 1.04 -0.49 -4.97 113.70 107.91 3hqq s SER 255 Ca -0.09 0.76 0.21 0.00 0.48 0.00 0.00 55.95 57.31 3hqq s SER 255 Cb 0.15 -1.20 0.03 0.00 0.10 0.00 0.00 66.02 65.09 3hqq s SER 255 CO 0.80 -2.28 1.07 0.47 0.98 0.00 0.00 173.24 174.28 3hqq n ASP 256 N -3.56 2.13 0.00 7.02 8.00 -0.69 -4.96 116.55 124.49 3hqq n ASP 256 Ca 0.09 -1.56 0.00 0.00 0.71 0.00 0.00 54.79 54.02 3hqq n ASP 256 Cb 0.60 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 3hqq n ASP 256 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hqq n GLY 257 N 1.33 0.11 3.12 0.44 0.00 -1.23 -4.13 105.19 104.83 3hqq n GLY 257 Ca 0.09 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 3hqq n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hqq s ILE 258 N -2.00 1.03 -0.13 -0.61 -1.09 -0.85 -0.71 121.20 116.84 3hqq s ILE 258 Ca 0.00 -0.90 -0.00 0.00 -2.23 0.00 0.00 60.65 57.51 3hqq s ILE 258 Cb 0.00 -0.93 -0.02 0.00 -1.58 0.00 0.00 42.46 39.94 3hqq s ILE 258 CO 0.00 0.02 -0.12 -0.32 -1.23 0.00 0.00 174.94 173.29 3hqq s MET 259 N -1.00 3.37 -0.89 2.79 1.75 -0.49 -1.18 119.30 123.66 3hqq s MET 259 Ca 0.01 -0.67 -0.19 0.00 -1.25 0.00 0.00 55.69 53.59 3hqq s MET 259 Cb -0.07 -2.64 0.12 0.00 2.84 0.00 0.00 34.83 35.08 3hqq s MET 259 CO 0.01 0.24 1.09 0.08 -0.65 0.00 0.00 175.02 175.79 3hqq s VAL 260 N 0.30 4.69 -1.13 10.11 1.01 0.74 -1.10 120.40 135.01 3hqq s VAL 260 Ca -0.09 -1.42 -0.18 0.00 0.00 0.00 0.00 61.98 60.29 3hqq s VAL 260 Cb -0.16 -4.76 0.11 0.00 0.00 0.00 0.00 36.38 31.58 3hqq s VAL 260 CO 0.05 -1.48 1.45 0.00 0.00 0.00 0.00 175.10 175.12 3hqq s ALA 261 N 2.82 3.43 0.29 5.51 0.00 -1.05 -2.66 121.76 130.10 3hqq s ALA 261 Ca 0.31 -2.90 0.01 0.00 0.00 0.00 0.00 51.96 49.38 3hqq s ALA 261 Cb -0.07 -4.33 0.43 0.00 0.00 0.00 0.00 23.12 19.15 3hqq s ALA 261 CO -0.07 -3.12 1.78 0.00 0.00 0.00 0.00 175.76 174.35 3hqq h ARG 262 N 8.15 0.62 0.19 0.00 3.08 -1.80 -2.57 114.38 122.05 3hqq h ARG 262 Ca 0.29 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3hqq h ARG 262 Cb 0.93 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3hqq h ARG 262 CO 1.31 0.70 -0.09 0.78 -1.07 0.00 0.00 179.97 181.60 3hqq h GLY 263 N 0.94 -0.27 1.04 0.04 0.00 -1.87 0.18 103.07 103.13 3hqq h GLY 263 Ca 0.11 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 3hqq h GLY 263 CO 0.03 -0.10 0.23 -0.55 0.00 0.00 0.00 176.54 176.15 3hqq h ASP 264 N -0.34 1.01 -0.48 0.19 3.32 -1.86 -3.22 116.42 115.04 3hqq h ASP 264 Ca -0.03 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 3hqq h ASP 264 Cb 0.26 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3hqq h ASP 264 CO 0.04 0.94 0.23 0.25 -1.72 0.00 0.00 179.24 178.98 3hqq h LEU 265 N 1.02 0.66 -1.21 1.55 6.46 -1.08 -2.20 115.31 120.51 3hqq h LEU 265 Ca 0.23 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 3hqq h LEU 265 Cb 0.28 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.01 3hqq h LEU 265 CO -0.01 0.58 0.37 1.23 -0.62 0.00 0.00 178.44 179.99 3hqq h GLY 266 N 0.85 0.97 0.60 3.75 0.00 -0.97 0.14 103.07 108.42 3hqq h GLY 266 Ca 0.18 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3hqq h GLY 266 CO -0.02 0.40 -0.23 -2.08 0.00 0.00 0.00 176.54 174.61 3hqq h VAL 267 N 0.92 1.45 -0.49 4.60 2.07 -1.57 -3.33 116.25 119.90 3hqq h VAL 267 Ca 0.24 -1.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.03 3hqq h VAL 267 Cb 0.01 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 3hqq h VAL 267 CO -0.04 0.47 0.06 -0.33 0.02 0.00 0.00 177.57 177.75 3hqq h GLU 268 N -0.28 0.77 -5.98 1.57 4.39 -1.19 -3.42 114.58 110.43 3hqq h GLU 268 Ca -0.01 -0.18 -0.54 0.00 0.34 0.00 0.00 59.36 58.98 3hqq h GLU 268 Cb 0.88 -0.11 -0.23 0.00 -0.10 0.00 0.00 28.75 29.20 3hqq h GLU 268 CO 0.05 0.74 -0.82 0.42 -1.16 0.00 0.00 179.01 178.23 3hqq s ILE 269 N -5.09 1.58 0.38 3.13 1.09 0.48 -4.75 121.20 118.02 3hqq s ILE 269 Ca -0.09 -1.41 -0.27 0.00 -1.10 0.00 0.00 60.65 57.78 3hqq s ILE 269 Cb 0.15 -1.43 -0.09 0.00 -1.06 0.00 0.00 42.46 40.03 3hqq s ILE 269 CO 0.80 -0.03 1.26 -2.84 -0.10 0.00 0.00 174.94 174.03 3hqq s PRO 270 N -1.69 4.14 0.20 2.79 0.02 -1.26 -4.24 135.00 134.96 3hqq s PRO 270 Ca 0.05 2.08 -0.08 0.00 0.02 0.00 0.00 61.00 63.07 3hqq s PRO 270 Cb -0.10 -2.86 0.13 0.00 0.02 0.00 0.00 34.50 31.70 3hqq s PRO 270 CO 0.03 -0.33 1.75 0.00 -0.33 0.00 0.00 177.00 178.12 3hqq h ALA 271 N 2.94 0.98 0.00 -1.55 0.00 -1.89 -1.55 119.26 118.19 3hqq h ALA 271 Ca -0.49 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3hqq h ALA 271 Cb 1.24 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3hqq h ALA 271 CO 0.64 0.66 0.00 1.05 0.00 0.00 0.00 179.25 181.59 3hqq h GLU 272 N 1.11 0.00 0.00 0.00 9.09 -1.92 -1.55 114.58 121.31 3hqq h GLU 272 Ca 0.24 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.52 3hqq h GLU 272 Cb 0.29 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.38 3hqq h GLU 272 CO -0.01 0.00 -0.73 0.87 0.05 0.00 0.00 179.01 179.19 3hqq h LYS 273 N 0.00 0.00 -0.66 1.06 1.57 -1.64 -3.32 116.57 113.58 3hqq h LYS 273 Ca 0.00 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.93 3hqq h LYS 273 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3hqq h LYS 273 CO 0.00 0.52 0.46 0.28 -0.57 0.00 0.00 179.45 180.14 3hqq h VAL 274 N 0.00 0.77 -0.36 0.50 2.07 -1.31 -0.87 116.25 117.06 3hqq h VAL 274 Ca -0.03 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3hqq h VAL 274 Cb 1.47 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3hqq h VAL 274 CO 0.07 0.05 0.16 0.58 0.02 0.00 0.00 177.57 178.44 3hqq h VAL 275 N 0.25 1.18 -0.62 2.57 2.07 -1.72 0.34 116.25 120.31 3hqq h VAL 275 Ca 0.32 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3hqq h VAL 275 Cb 0.91 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3hqq h VAL 275 CO -0.07 0.19 0.24 0.58 0.02 0.00 0.00 177.57 178.53 3hqq h VAL 276 N 0.43 1.23 -0.81 2.57 2.07 -1.42 -2.38 116.25 117.95 3hqq h VAL 276 Ca 0.12 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 3hqq h VAL 276 Cb 0.15 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3hqq h VAL 276 CO -0.01 0.29 0.40 0.00 0.02 0.00 0.00 177.57 178.26 3hqq h ALA 277 N 1.09 1.18 -0.19 1.67 0.00 -1.06 -1.12 119.26 120.83 3hqq h ALA 277 Ca 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hqq h ALA 277 Cb 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hqq h ALA 277 CO -0.02 0.63 0.09 0.37 0.00 0.00 0.00 179.25 180.32 3hqq h GLN 278 N 1.15 0.28 -0.43 0.00 4.15 -0.67 -1.22 115.11 118.36 3hqq h GLN 278 Ca 0.28 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 3hqq h GLN 278 Cb 0.10 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 3hqq h GLN 278 CO -0.04 0.31 0.22 0.87 -1.93 0.00 0.00 178.83 178.27 3hqq h LYS 279 N 0.17 0.62 -0.25 1.69 1.57 -1.30 -2.37 116.57 116.69 3hqq h LYS 279 Ca 0.06 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3hqq h LYS 279 Cb 0.13 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3hqq h LYS 279 CO -0.01 0.52 0.05 0.82 -0.57 0.00 0.00 179.45 180.25 3hqq h ILE 280 N 0.56 1.23 -0.55 1.86 2.04 -1.07 -2.81 117.51 118.77 3hqq h ILE 280 Ca 0.15 -0.75 -0.10 0.00 1.00 0.00 0.00 64.86 65.15 3hqq h ILE 280 Cb 0.09 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3hqq h ILE 280 CO -0.02 0.24 -0.06 -0.07 0.00 0.00 0.00 178.15 178.24 3hqq h LEU 281 N 0.23 0.97 -0.38 1.44 4.07 -1.17 -1.97 115.31 118.50 3hqq h LEU 281 Ca 0.08 -0.29 -0.04 0.00 0.08 0.00 0.00 57.88 57.70 3hqq h LEU 281 Cb 0.32 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 3hqq h LEU 281 CO 0.00 1.06 0.07 0.40 -1.08 0.00 0.00 178.44 178.89 3hqq h ILE 282 N 0.89 1.24 -0.53 1.22 2.04 -1.50 -2.32 117.51 118.55 3hqq h ILE 282 Ca 0.15 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 3hqq h ILE 282 Cb 0.60 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3hqq h ILE 282 CO 0.04 0.28 0.17 0.28 0.00 0.00 0.00 178.15 178.92 3hqq h SER 283 N 0.48 0.77 -0.55 1.72 0.02 -1.38 -0.40 113.55 114.21 3hqq h SER 283 Ca 0.12 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.81 3hqq h SER 283 Cb 0.35 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3hqq h SER 283 CO 0.01 0.77 0.15 0.11 -1.14 0.00 0.00 176.83 176.72 3hqq h LYS 284 N 0.74 0.92 -0.62 3.45 1.57 -1.33 -1.09 116.57 120.21 3hqq h LYS 284 Ca 0.17 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3hqq h LYS 284 Cb 0.27 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3hqq h LYS 284 CO -0.01 0.82 0.10 0.00 -0.57 0.00 0.00 179.45 179.79 3hqq h ASN 286 N 0.93 0.68 -0.65 0.00 -0.26 -0.61 -1.84 115.58 113.83 3hqq h ASN 286 Ca 0.19 -0.18 -0.08 0.00 -0.56 0.00 0.00 56.30 55.67 3hqq h ASN 286 Cb 0.43 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.49 3hqq h ASN 286 CO 0.01 0.67 0.09 0.58 -1.06 0.00 0.00 177.43 177.73 3hqq h VAL 287 N 0.64 1.26 0.00 2.81 2.07 -1.22 -2.87 116.25 118.95 3hqq h VAL 287 Ca 0.16 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3hqq h VAL 287 Cb 0.22 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3hqq h VAL 287 CO -0.01 0.39 0.00 0.00 0.02 0.00 0.00 177.57 177.97 3hqq n ALA 288 N -2.46 1.84 -3.39 1.67 0.00 -0.68 -4.94 120.51 112.56 3hqq n ALA 288 Ca 0.04 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 3hqq n ALA 288 Cb 0.30 -1.31 0.06 0.00 0.00 0.00 0.00 19.45 18.50 3hqq n ALA 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hqq n GLY 289 N 0.40 -0.33 3.26 0.00 0.00 -0.86 -5.06 105.19 102.60 3hqq n GLY 289 Ca 0.04 0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3hqq n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqq s LYS 290 N -6.07 1.29 0.35 1.61 1.02 -0.75 -4.82 119.74 112.36 3hqq s LYS 290 Ca 0.48 -1.00 -0.28 0.00 0.02 0.00 0.00 55.97 55.18 3hqq s LYS 290 Cb -0.21 -1.45 -0.11 0.00 -0.52 0.00 0.00 37.83 35.55 3hqq s LYS 290 CO 0.59 0.36 1.40 -1.25 -0.92 0.00 0.00 175.35 175.53 3hqq s PRO 291 N -1.40 4.24 -0.03 -1.68 0.04 -1.26 -4.36 135.00 130.54 3hqq s PRO 291 Ca 0.07 2.39 0.02 0.00 0.04 0.00 0.00 61.00 63.52 3hqq s PRO 291 Cb -0.09 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.43 3hqq s PRO 291 CO 0.03 -0.36 -0.09 0.54 0.04 0.00 0.00 177.00 177.15 3hqq s VAL 292 N -1.09 0.80 -0.09 -0.36 0.11 -1.26 -2.01 120.40 116.51 3hqq s VAL 292 Ca 0.51 -0.36 0.04 0.00 -2.93 0.00 0.00 61.98 59.24 3hqq s VAL 292 Cb -0.43 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 3hqq s VAL 292 CO 0.57 0.25 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.75 3hqq s ILE 293 N 0.25 2.34 -0.25 7.04 1.01 -0.32 -1.98 121.20 129.28 3hqq s ILE 293 Ca -0.04 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 3hqq s ILE 293 Cb -0.09 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 3hqq s ILE 293 CO 0.01 0.56 0.21 0.00 0.00 0.00 0.00 174.94 175.71 3hqq s ALA 295 N 1.40 1.44 0.00 0.00 0.00 -1.09 -2.29 121.76 121.22 3hqq s ALA 295 Ca 0.09 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3hqq s ALA 295 Cb -0.15 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.75 3hqq s ALA 295 CO 0.07 0.28 0.00 2.41 0.00 0.00 0.00 175.76 178.53 3hqq n THR 296 N 1.66 -0.44 -1.41 0.00 -1.04 -1.26 -2.87 114.28 108.92 3hqq n THR 296 Ca -0.18 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.68 3hqq n THR 296 Cb 0.54 -0.44 -0.06 0.00 -1.82 0.00 0.00 70.33 68.55 3hqq n THR 296 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hqq n GLN 297 N 1.72 -1.38 -0.20 -2.82 6.02 -1.26 -4.80 117.38 114.67 3hqq n GLN 297 Ca 0.00 0.99 -0.08 0.00 -0.01 0.00 0.00 57.00 57.90 3hqq n GLN 297 Cb 0.00 -5.27 0.02 0.00 1.02 0.00 0.00 30.24 26.01 3hqq n GLN 297 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3hqq h MET 298 N 0.03 0.85 -1.38 -1.09 2.86 -1.89 -3.27 114.93 111.05 3hqq h MET 298 Ca -0.29 -0.15 -0.46 0.00 -2.06 0.00 0.00 59.70 56.74 3hqq h MET 298 Cb 1.12 -0.14 -0.41 0.00 0.06 0.00 0.00 31.60 32.23 3hqq h MET 298 CO 0.43 0.72 -1.01 1.28 1.06 0.00 0.00 176.91 179.39 3hqq n LEU 299 N -4.50 2.59 -0.35 1.22 4.77 -1.26 -4.65 117.00 114.83 3hqq n LEU 299 Ca 0.03 -4.48 0.02 0.00 -0.03 0.00 0.00 56.01 51.55 3hqq n LEU 299 Cb 0.15 0.12 0.18 0.00 -2.33 0.00 0.00 43.42 41.55 3hqq n LEU 299 CO 0.38 1.92 1.27 -0.08 -1.33 0.00 0.00 177.39 179.55 3hqq h GLU 300 N 2.87 1.14 0.00 3.23 4.57 -1.96 -2.62 114.58 121.81 3hqq h GLU 300 Ca 0.06 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3hqq h GLU 300 Cb 1.02 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 3hqq h GLU 300 CO 0.63 0.75 0.00 0.66 -1.18 0.00 0.00 179.01 179.87 3hqq h SER 301 N 1.17 0.00 0.03 1.04 4.64 -1.93 -1.95 113.55 116.56 3hqq h SER 301 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3hqq h SER 301 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3hqq h SER 301 CO -0.14 0.00 -0.01 0.23 -0.87 0.00 0.00 176.83 176.04 3hqq n MET 302 N -2.49 1.18 0.09 4.77 2.81 -0.99 -0.92 117.12 121.58 3hqq n MET 302 Ca 0.01 -0.32 0.01 0.00 -1.81 0.00 0.00 57.70 55.59 3hqq n MET 302 Cb 0.24 -1.49 0.35 0.00 -0.71 0.00 0.00 33.22 31.60 3hqq n MET 302 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3hqq h THR 303 N 0.79 1.20 0.00 2.03 2.02 -1.50 -3.36 112.91 114.08 3hqq h THR 303 Ca 0.00 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.30 3hqq h THR 303 Cb 0.19 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3hqq h THR 303 CO 0.00 0.28 -0.42 -1.22 0.37 0.00 0.00 175.52 174.53 3hqq n TYR 304 N -4.24 0.00 -4.39 3.16 4.01 -0.75 -1.70 117.16 113.24 3hqq n TYR 304 Ca -0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.47 3hqq n TYR 304 Cb 0.29 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.20 3hqq n TYR 304 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3hqq s ASN 305 N -1.30 3.22 0.49 7.72 0.02 -0.09 -4.94 114.94 120.07 3hqq s ASN 305 Ca 0.00 -0.83 0.25 0.00 -1.02 0.00 0.00 52.86 51.26 3hqq s ASN 305 Cb 0.00 -0.22 1.29 0.00 0.02 0.00 0.00 41.25 42.34 3hqq s ASN 305 CO 0.00 0.10 2.02 1.55 0.02 0.00 0.00 177.10 180.79 3hqq h PRO 306 N 3.42 0.00 -5.26 -0.60 0.13 -1.88 -3.38 132.00 124.43 3hqq h PRO 306 Ca -0.47 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.23 3hqq h PRO 306 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 3hqq h PRO 306 CO 0.46 0.16 -0.79 1.03 -0.23 0.00 0.00 178.00 178.63 3hqq s ARG 307 N -4.18 0.89 0.59 0.86 0.52 -1.26 -4.92 118.95 111.45 3hqq s ARG 307 Ca -0.03 -0.77 -0.09 0.00 -0.52 0.00 0.00 55.73 54.32 3hqq s ARG 307 Cb 0.13 -0.89 -0.03 0.00 0.52 0.00 0.00 34.95 34.68 3hqq s ARG 307 CO 0.61 0.22 0.97 -1.25 0.02 0.00 0.00 175.30 175.87 3hqq s PRO 308 N -1.21 3.48 0.75 3.54 0.04 -1.26 -4.66 135.00 135.68 3hqq s PRO 308 Ca 0.01 0.55 -0.11 0.00 0.04 0.00 0.00 61.00 61.49 3hqq s PRO 308 Cb -0.08 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.34 3hqq s PRO 308 CO 0.01 -0.54 1.08 0.95 0.04 0.00 0.00 177.00 178.54 3hqq s THR 309 N -3.09 3.59 0.19 1.26 -4.23 -1.26 -4.95 115.64 107.16 3hqq s THR 309 Ca 0.53 0.52 -0.11 0.00 -1.18 0.00 0.00 61.69 61.45 3hqq s THR 309 Cb -0.11 -3.21 0.11 0.00 1.34 0.00 0.00 72.50 70.63 3hqq s THR 309 CO 0.51 -0.68 1.79 0.03 -0.54 0.00 0.00 174.62 175.73 3hqq h ARG 310 N -0.92 0.94 -0.63 3.99 2.47 -2.00 -2.62 114.38 115.61 3hqq h ARG 310 Ca -0.45 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.13 3hqq h ARG 310 Cb 1.23 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 29.35 3hqq h ARG 310 CO 0.57 0.73 0.35 0.00 0.56 0.00 0.00 179.97 182.18 3hqq h ALA 311 N 1.16 1.42 -0.26 0.04 0.00 -1.99 -1.50 119.26 118.12 3hqq h ALA 311 Ca 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3hqq h ALA 311 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hqq h ALA 311 CO -0.03 0.48 0.02 0.93 0.00 0.00 0.00 179.25 180.65 3hqq h GLU 312 N 0.88 0.45 -0.45 0.00 5.08 -1.74 -1.31 114.58 117.50 3hqq h GLU 312 Ca 0.23 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3hqq h GLU 312 Cb 0.02 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3hqq h GLU 312 CO -0.04 0.60 0.24 0.28 -1.00 0.00 0.00 179.01 179.09 3hqq h VAL 313 N 0.25 1.17 -0.96 3.13 2.07 -1.28 -1.74 116.25 118.89 3hqq h VAL 313 Ca 0.08 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.17 3hqq h VAL 313 Cb 0.38 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 3hqq h VAL 313 CO 0.01 0.18 0.63 -1.28 0.02 0.00 0.00 177.57 177.13 3hqq h SER 314 N 0.58 1.09 -0.43 0.57 0.87 -1.24 -2.61 113.55 112.39 3hqq h SER 314 Ca 0.16 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3hqq h SER 314 Cb 0.07 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3hqq h SER 314 CO -0.02 0.78 0.23 -0.78 -0.53 0.00 0.00 176.83 176.50 3hqq h ASP 315 N 1.28 0.54 -0.76 6.23 3.58 -0.40 -1.72 116.42 125.17 3hqq h ASP 315 Ca 0.36 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 3hqq h ASP 315 Cb -0.11 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.77 3hqq h ASP 315 CO -0.09 0.49 0.33 0.58 -2.88 0.00 0.00 179.24 177.67 3hqq h VAL 316 N 0.55 1.25 -0.22 2.25 2.07 -1.01 -2.59 116.25 118.56 3hqq h VAL 316 Ca 0.15 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3hqq h VAL 316 Cb 0.07 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3hqq h VAL 316 CO -0.02 0.31 0.09 0.00 0.02 0.00 0.00 177.57 177.97 3hqq h ALA 317 N 1.17 0.28 -0.20 1.67 0.00 -1.36 -2.99 119.26 117.83 3hqq h ALA 317 Ca 0.26 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hqq h ALA 317 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hqq h ALA 317 CO -0.03 -0.14 -0.04 -0.91 0.00 0.00 0.00 179.25 178.13 3hqq h ASN 318 N 0.20 0.28 -0.86 0.00 2.35 -1.26 -1.97 115.58 114.33 3hqq h ASN 318 Ca 0.07 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 3hqq h ASN 318 Cb 0.16 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 3hqq h ASN 318 CO -0.01 0.37 0.42 0.00 -1.65 0.00 0.00 177.43 176.56 3hqq h ALA 319 N 1.67 1.11 -0.41 -0.83 0.00 -1.32 0.14 119.26 119.63 3hqq h ALA 319 Ca 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3hqq h ALA 319 Cb 0.27 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hqq h ALA 319 CO 0.01 0.67 0.10 0.28 0.00 0.00 0.00 179.25 180.31 3hqq h VAL 320 N 1.22 1.23 -0.47 0.00 2.07 -1.37 -2.55 116.25 116.38 3hqq h VAL 320 Ca 0.30 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3hqq h VAL 320 Cb 0.11 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3hqq h VAL 320 CO -0.04 0.28 0.22 -0.26 0.02 0.00 0.00 177.57 177.79 3hqq h PHE 321 N 0.53 0.64 0.00 1.57 0.04 -1.11 -1.65 116.94 116.96 3hqq h PHE 321 Ca 0.13 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 3hqq h PHE 321 Cb 0.32 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 3hqq h PHE 321 CO 0.02 0.48 -0.13 -0.91 -0.60 0.00 0.00 178.31 177.17 3hqq h ASN 322 N 0.66 0.00 0.00 2.17 -0.26 -0.44 -3.46 115.58 114.25 3hqq h ASN 322 Ca 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 3hqq h ASN 322 Cb 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 3hqq h ASN 322 CO -0.02 0.13 0.00 0.61 -1.06 0.00 0.00 177.43 177.08 3hqq n GLY 323 N -0.84 1.26 3.75 2.83 0.00 -0.62 -4.63 105.19 106.95 3hqq n GLY 323 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3hqq n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqq s ALA 324 N -2.00 3.51 0.14 4.61 0.00 -0.99 -4.89 121.76 122.14 3hqq s ALA 324 Ca 0.00 1.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.96 3hqq s ALA 324 Cb 0.00 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.66 3hqq s ALA 324 CO 0.00 -0.53 1.64 -0.44 0.00 0.00 0.00 175.76 176.43 3hqq h ASP 325 N 4.44 0.67 -4.48 0.00 5.19 -1.72 -3.45 116.42 117.07 3hqq h ASP 325 Ca -0.47 -0.23 -0.35 0.00 -0.62 0.00 0.00 57.03 55.36 3hqq h ASP 325 Cb 1.22 -0.18 -0.23 0.00 0.18 0.00 0.00 39.33 40.32 3hqq h ASP 325 CO 0.72 0.72 -0.76 0.00 -3.12 0.00 0.00 179.24 176.80 3hqq s VAL 327 N -1.06 3.08 0.07 0.00 -7.23 -0.74 -1.56 120.40 112.96 3hqq s VAL 327 Ca -0.04 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.26 3hqq s VAL 327 Cb -0.08 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 3hqq s VAL 327 CO 0.01 -0.26 -0.14 -0.32 -0.31 0.00 0.00 175.10 174.08 3hqq s MET 328 N -3.24 0.84 -0.07 4.82 0.00 -0.97 -1.78 119.30 118.90 3hqq s MET 328 Ca 0.28 -0.95 0.05 0.00 0.00 0.00 0.00 55.69 55.07 3hqq s MET 328 Cb -0.07 -0.85 -0.00 0.00 0.00 0.00 0.00 34.83 33.90 3hqq s MET 328 CO 0.16 0.19 -0.23 -0.51 0.00 0.00 0.00 175.02 174.64 3hqq s LEU 329 N -1.71 2.03 0.00 4.11 1.43 0.08 -4.49 118.68 120.13 3hqq s LEU 329 Ca -0.02 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 3hqq s LEU 329 Cb -0.10 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.82 3hqq s LEU 329 CO 0.02 0.19 0.00 -1.20 0.23 0.00 0.00 176.35 175.60 3hqq n SER 330 N 3.21 0.00 0.10 2.29 7.64 -1.26 -2.23 113.62 123.37 3hqq n SER 330 Ca -0.18 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.70 3hqq n SER 330 Cb 0.52 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 64.02 3hqq n SER 330 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hqq h GLY 331 N 0.00 0.28 1.49 0.23 0.00 -1.97 -1.33 103.07 101.77 3hqq h GLY 331 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.15 3hqq h GLY 331 CO 0.00 0.20 0.27 0.83 0.00 0.00 0.00 176.54 177.84 3hqq h GLU 332 N 0.23 0.41 0.00 4.80 3.07 -1.90 -1.37 114.58 119.82 3hqq h GLU 332 Ca 0.04 -0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 58.66 3hqq h GLU 332 Cb 0.59 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.37 3hqq h GLU 332 CO 0.04 0.27 -2.10 0.25 -1.40 0.00 0.00 179.01 176.07 3hqq n THR 333 N -4.48 0.78 -0.03 1.13 -2.24 -1.20 -3.70 114.28 104.55 3hqq n THR 333 Ca 0.04 -0.64 -0.13 0.00 -2.27 0.00 0.00 64.05 61.05 3hqq n THR 333 Cb 0.16 -0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.00 3hqq n THR 333 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hqq h ALA 334 N 1.20 0.10 0.00 6.98 0.00 -0.98 -3.36 119.26 123.20 3hqq h ALA 334 Ca -0.31 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3hqq h ALA 334 Cb 1.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3hqq h ALA 334 CO 0.02 -0.15 0.00 0.36 0.00 0.00 0.00 179.25 179.48 3hqq n LYS 335 N -4.77 0.59 -1.51 0.00 2.85 -0.55 -1.97 118.16 112.79 3hqq n LYS 335 Ca -0.07 -0.71 -0.31 0.00 -1.05 0.00 0.00 58.31 56.17 3hqq n LYS 335 Cb 0.26 -0.81 0.06 0.00 -0.65 0.00 0.00 35.03 33.88 3hqq n LYS 335 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3hqq s GLY 336 N -0.30 1.67 0.23 2.58 0.00 -0.99 -4.87 107.32 105.63 3hqq s GLY 336 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 44.72 44.79 3hqq s GLY 336 CO 0.00 0.42 1.66 0.50 0.00 0.00 0.00 173.10 175.68 3hqq h LYS 337 N -0.81 0.74 -2.12 2.90 1.57 -1.58 -3.41 116.57 113.85 3hqq h LYS 337 Ca -0.44 -0.28 -0.56 0.00 -1.87 0.00 0.00 60.65 57.50 3hqq h LYS 337 Cb 1.22 -0.05 -0.41 0.00 0.08 0.00 0.00 32.23 33.07 3hqq h LYS 337 CO 0.56 0.87 -0.86 0.66 -0.57 0.00 0.00 179.45 180.11 3hqq n TYR 338 N -4.13 1.99 -0.05 -1.35 4.01 -1.26 -4.95 117.16 111.43 3hqq n TYR 338 Ca 0.01 -3.90 -0.10 0.00 -0.16 0.00 0.00 57.90 53.74 3hqq n TYR 338 Cb 0.40 -0.46 -0.04 0.00 -0.31 0.00 0.00 39.34 38.93 3hqq n TYR 338 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3hqq h PRO 339 N 3.61 0.26 -0.52 -0.72 0.11 -1.80 -1.17 132.00 131.77 3hqq h PRO 339 Ca 0.13 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 3hqq h PRO 339 Cb 0.74 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 3hqq h PRO 339 CO 0.67 0.25 0.23 -0.91 -0.21 0.00 0.00 178.00 178.03 3hqq h ASN 340 N 0.20 0.70 -0.78 -2.05 2.35 -1.92 -2.93 115.58 111.15 3hqq h ASN 340 Ca 0.07 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 3hqq h ASN 340 Cb 0.07 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3hqq h ASN 340 CO -0.01 0.66 0.29 -0.33 -1.65 0.00 0.00 177.43 176.38 3hqq h GLU 341 N 0.70 1.19 -0.47 0.81 3.07 -1.92 -1.47 114.58 116.48 3hqq h GLU 341 Ca 0.18 -0.23 -0.04 0.00 -0.50 0.00 0.00 59.36 58.76 3hqq h GLU 341 Cb 0.16 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 3hqq h GLU 341 CO -0.02 0.98 0.12 -0.24 -1.40 0.00 0.00 179.01 178.45 3hqq h VAL 342 N 1.15 1.23 -0.65 3.13 3.04 -1.13 -0.33 116.25 122.70 3hqq h VAL 342 Ca 0.26 -0.81 -0.04 0.00 -1.01 0.00 0.00 66.70 65.09 3hqq h VAL 342 Cb 0.25 0.87 -0.03 0.00 -2.01 0.00 0.00 31.29 30.37 3hqq h VAL 342 CO -0.02 0.29 0.25 0.58 -1.01 0.00 0.00 177.57 177.66 3hqq h VAL 343 N 0.63 1.24 -0.77 1.51 2.07 -1.41 -1.55 116.25 117.98 3hqq h VAL 343 Ca 0.15 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 3hqq h VAL 343 Cb 0.32 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3hqq h VAL 343 CO 0.00 0.30 0.28 1.56 0.02 0.00 0.00 177.57 179.73 3hqq h GLN 344 N 0.92 1.16 -0.58 1.57 4.20 -0.97 -1.71 115.11 119.70 3hqq h GLN 344 Ca 0.22 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3hqq h GLN 344 Cb 0.23 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3hqq h GLN 344 CO -0.01 0.96 0.16 1.88 -0.67 0.00 0.00 178.83 181.15 3hqq h TYR 345 N 1.12 0.95 -0.66 2.96 0.05 -0.81 -2.43 116.97 118.16 3hqq h TYR 345 Ca 0.25 -0.10 -0.05 0.00 0.05 0.00 0.00 58.73 58.88 3hqq h TYR 345 Cb 0.25 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 3hqq h TYR 345 CO 0.02 0.80 0.21 1.98 -1.05 0.00 0.00 178.16 180.13 3hqq h MET 346 N 0.83 1.02 -0.71 4.88 4.05 -0.98 -2.17 114.93 121.84 3hqq h MET 346 Ca 0.19 -0.22 -0.04 0.00 -0.28 0.00 0.00 59.70 59.34 3hqq h MET 346 Cb 0.31 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 3hqq h MET 346 CO -0.00 0.89 0.27 0.00 0.23 0.00 0.00 176.91 178.30 3hqq h ALA 347 N 1.09 0.92 -0.45 0.39 0.00 -1.22 -1.90 119.26 118.08 3hqq h ALA 347 Ca 0.21 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3hqq h ALA 347 Cb 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hqq h ALA 347 CO -0.01 0.56 0.12 -0.09 0.00 0.00 0.00 179.25 179.83 3hqq h ARG 348 N 1.02 0.72 -0.74 0.00 2.43 -1.31 -1.86 114.38 114.64 3hqq h ARG 348 Ca 0.24 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3hqq h ARG 348 Cb 0.23 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3hqq h ARG 348 CO -0.02 0.72 0.25 0.82 -1.51 0.00 0.00 179.97 180.23 3hqq h ILE 349 N 0.60 1.26 -0.66 1.20 2.04 -1.26 -2.33 117.51 118.36 3hqq h ILE 349 Ca 0.14 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 3hqq h ILE 349 Cb 0.31 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3hqq h ILE 349 CO 0.00 0.35 0.23 0.00 0.00 0.00 0.00 178.15 178.73 3hqq h LEU 351 N 0.94 1.04 -0.43 0.00 5.85 -1.15 -2.52 115.31 119.04 3hqq h LEU 351 Ca 0.22 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3hqq h LEU 351 Cb 0.25 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3hqq h LEU 351 CO -0.01 1.03 0.14 -0.08 -0.34 0.00 0.00 178.44 179.18 3hqq h GLU 352 N 1.00 0.66 -0.26 1.25 4.57 -1.22 -3.01 114.58 117.58 3hqq h GLU 352 Ca 0.20 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 3hqq h GLU 352 Cb 0.44 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3hqq h GLU 352 CO 0.01 0.64 -0.00 0.00 -1.18 0.00 0.00 179.01 178.48 3hqq h ALA 353 N 0.99 1.52 -0.52 2.92 0.00 -1.26 -2.54 119.26 120.38 3hqq h ALA 353 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hqq h ALA 353 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3hqq h ALA 353 CO -0.01 0.35 0.20 0.37 0.00 0.00 0.00 179.25 180.16 3hqq h GLN 354 N 0.38 0.75 -0.58 0.00 4.15 -1.32 -1.09 115.11 117.39 3hqq h GLN 354 Ca 0.09 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 3hqq h GLN 354 Cb 0.26 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 3hqq h GLN 354 CO 0.01 0.62 0.28 0.77 -1.93 0.00 0.00 178.83 178.57 3hqq h SER 355 N 0.74 0.77 0.97 -0.69 0.02 -1.33 -2.46 113.55 111.56 3hqq h SER 355 Ca 0.18 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3hqq h SER 355 Cb 0.16 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3hqq h SER 355 CO -0.02 0.69 0.00 0.00 -1.14 0.00 0.00 176.83 176.36 3hqq h ALA 356 N 1.11 1.00 -2.68 3.77 0.00 -1.38 -3.45 119.26 117.64 3hqq h ALA 356 Ca 0.20 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.59 3hqq h ALA 356 Cb 0.13 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.95 3hqq h ALA 356 CO -0.02 0.00 0.66 -1.17 0.00 0.00 0.00 179.25 178.72 3hqq s LEU 357 N -6.12 4.41 -0.83 0.00 2.96 -0.48 -4.94 118.68 113.68 3hqq s LEU 357 Ca 0.01 2.42 -0.17 0.00 -0.22 0.00 0.00 54.13 56.17 3hqq s LEU 357 Cb 0.09 -3.61 0.16 0.00 0.50 0.00 0.00 46.19 43.33 3hqq s LEU 357 CO 0.53 -0.55 0.93 0.21 -1.32 0.00 0.00 176.35 176.15 3hqq s ASN 358 N 0.39 6.60 0.32 3.68 3.84 -1.26 -4.87 114.94 123.63 3hqq s ASN 358 Ca 0.57 -2.16 0.04 0.00 0.21 0.00 0.00 52.86 51.52 3hqq s ASN 358 Cb -0.37 -2.32 0.55 0.00 -0.55 0.00 0.00 41.25 38.57 3hqq s ASN 358 CO 0.38 -0.90 1.84 -0.33 -2.79 0.00 0.00 177.10 175.30 3hqq h GLU 359 N 8.52 0.53 -0.29 0.43 3.07 -1.92 -2.90 114.58 122.02 3hqq h GLU 359 Ca 0.06 -0.13 -0.03 0.00 -0.50 0.00 0.00 59.36 58.76 3hqq h GLU 359 Cb 1.04 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 3hqq h GLU 359 CO 0.98 0.59 0.05 -0.92 -1.40 0.00 0.00 179.01 178.31 3hqq h TYR 360 N 0.50 0.51 -0.70 4.33 3.20 -1.90 -1.88 116.97 121.03 3hqq h TYR 360 Ca 0.10 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3hqq h TYR 360 Cb 0.40 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3hqq h TYR 360 CO 0.01 0.57 0.23 0.28 -1.64 0.00 0.00 178.16 177.61 3hqq h VAL 361 N 0.30 1.26 -0.91 1.81 2.07 -1.95 -2.49 116.25 116.34 3hqq h VAL 361 Ca 0.09 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3hqq h VAL 361 Cb 0.33 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3hqq h VAL 361 CO 0.00 0.34 0.59 0.15 0.02 0.00 0.00 177.57 178.68 3hqq h PHE 362 N 1.03 1.11 -0.06 1.57 -0.00 -1.48 0.14 116.94 119.25 3hqq h PHE 362 Ca 0.23 0.03 -0.00 0.00 -0.00 0.00 0.00 57.97 58.22 3hqq h PHE 362 Cb 0.29 -0.37 -0.00 0.00 -0.00 0.00 0.00 35.95 35.87 3hqq h PHE 362 CO 0.02 0.66 0.02 0.35 -0.00 0.00 0.00 178.31 179.37 3hqq h PHE 363 N 1.17 0.08 -0.70 0.41 3.57 -0.91 -2.48 116.94 118.08 3hqq h PHE 363 Ca 0.35 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.78 3hqq h PHE 363 Cb -0.03 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3hqq h PHE 363 CO -0.01 0.19 0.17 -0.91 -2.23 0.00 0.00 178.31 175.53 3hqq h ASN 364 N -0.05 1.05 -0.50 0.41 2.35 -1.18 -2.18 115.58 115.48 3hqq h ASN 364 Ca 0.02 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.51 3hqq h ASN 364 Cb 0.14 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3hqq h ASN 364 CO -0.00 1.01 0.15 0.28 -1.65 0.00 0.00 177.43 177.22 3hqq h SER 365 N 1.06 0.73 -0.51 5.81 0.02 -0.95 -2.33 113.55 117.36 3hqq h SER 365 Ca 0.22 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 3hqq h SER 365 Cb 0.36 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3hqq h SER 365 CO 0.00 0.75 0.12 0.40 -1.14 0.00 0.00 176.83 176.96 3hqq h ILE 366 N 0.68 1.24 -0.71 3.27 2.04 -1.37 -3.19 117.51 119.46 3hqq h ILE 366 Ca 0.16 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 3hqq h ILE 366 Cb 0.28 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3hqq h ILE 366 CO -0.00 0.31 0.41 0.50 0.00 0.00 0.00 178.15 179.37 3hqq h LYS 367 N 0.71 0.98 0.00 2.37 3.64 -1.29 -2.35 116.57 120.63 3hqq h LYS 367 Ca 0.16 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3hqq h LYS 367 Cb 0.34 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3hqq h LYS 367 CO 0.00 0.71 -0.13 0.87 -2.27 0.00 0.00 179.45 178.63 3hqq h LYS 368 N 0.98 0.00 -0.00 1.90 1.79 -1.42 -3.03 116.57 116.79 3hqq h LYS 368 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 3hqq h LYS 368 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3hqq h LYS 368 CO -0.04 0.13 -0.11 1.28 -1.08 0.00 0.00 179.45 179.63 3hqq n LEU 369 N -4.11 0.26 -4.77 2.94 4.77 -0.89 -4.86 117.00 110.34 3hqq n LEU 369 Ca -0.02 0.18 -0.39 0.00 -0.03 0.00 0.00 56.01 55.75 3hqq n LEU 369 Cb 0.21 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 3hqq n LEU 369 CO 0.34 0.05 0.57 -1.10 -1.33 0.00 0.00 177.39 175.92 3hqq s GLN 370 N -2.68 4.64 0.30 3.23 -1.52 -1.15 -5.02 119.66 117.46 3hqq s GLN 370 Ca 0.23 1.28 -0.29 0.00 -1.95 0.00 0.00 55.36 54.63 3hqq s GLN 370 Cb 0.20 -3.14 -0.10 0.00 -0.22 0.00 0.00 33.01 29.75 3hqq s GLN 370 CO 0.51 0.48 1.32 -1.58 -0.25 0.00 0.00 175.29 175.77 3hqq s HIS 371 N -1.29 3.09 -0.10 0.91 5.65 -1.26 -5.03 115.29 117.26 3hqq s HIS 371 Ca 0.41 1.33 0.03 0.00 0.25 0.00 0.00 55.06 57.08 3hqq s HIS 371 Cb -0.23 -3.68 0.01 0.00 -1.18 0.00 0.00 32.58 27.50 3hqq s HIS 371 CO 0.27 -1.96 -0.20 0.42 -0.65 0.00 0.00 174.74 172.62 3hqq s ILE 372 N -0.76 1.82 0.51 0.89 1.09 -1.26 -3.38 121.20 120.11 3hqq s ILE 372 Ca 0.52 -0.87 -0.09 0.00 -1.10 0.00 0.00 60.65 59.12 3hqq s ILE 372 Cb -0.39 -1.60 0.12 0.00 -1.06 0.00 0.00 42.46 39.52 3hqq s ILE 372 CO 0.49 0.51 0.58 -0.81 -0.10 0.00 0.00 174.94 175.61 3hqq n PRO 373 N 3.78 -1.17 0.00 2.79 -0.04 -1.26 -5.19 135.00 133.91 3hqq n PRO 373 Ca -0.20 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 3hqq n PRO 373 Cb 0.52 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.29 3hqq n PRO 373 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3hqq n MET 374 N -2.63 0.00 -3.64 0.54 0.00 -1.22 -5.16 117.12 105.01 3hqq n MET 374 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.63 3hqq n MET 374 Cb 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.42 3hqq n MET 374 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hqq s SER 375 N 1.00 -0.59 0.22 7.83 1.04 -1.26 -5.05 113.70 116.90 3hqq s SER 375 Ca 0.00 0.97 -0.07 0.00 0.48 0.00 0.00 55.95 57.32 3hqq s SER 375 Cb 0.00 0.95 0.36 0.00 0.10 0.00 0.00 66.02 67.44 3hqq s SER 375 CO 0.00 -0.34 1.73 0.00 0.98 0.00 0.00 173.24 175.61 3hqq h ALA 376 N 4.47 0.88 -0.57 5.32 0.00 -1.99 -0.71 119.26 126.66 3hqq h ALA 376 Ca -0.28 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3hqq h ALA 376 Cb 1.16 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3hqq h ALA 376 CO 0.22 -0.23 0.16 0.38 0.00 0.00 0.00 179.25 179.79 3hqq h ASP 377 N 0.39 0.80 -0.63 0.00 -0.00 -1.97 -2.21 116.42 112.79 3hqq h ASP 377 Ca 0.36 -0.13 -0.06 0.00 -0.00 0.00 0.00 57.03 57.19 3hqq h ASP 377 Cb 0.51 -0.21 -0.03 0.00 -0.00 0.00 0.00 39.33 39.60 3hqq h ASP 377 CO -0.38 0.77 0.16 -0.08 -0.00 0.00 0.00 179.24 179.71 3hqq h GLU 378 N 0.84 1.01 -0.62 4.15 4.81 -1.53 -1.82 114.58 121.42 3hqq h GLU 378 Ca 0.19 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3hqq h GLU 378 Cb 0.27 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3hqq h GLU 378 CO -0.01 0.91 0.19 0.00 -0.73 0.00 0.00 179.01 179.38 3hqq h ALA 379 N 1.05 1.18 -0.38 2.92 0.00 -1.09 -1.99 119.26 120.95 3hqq h ALA 379 Ca 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hqq h ALA 379 Cb 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hqq h ALA 379 CO 0.00 0.57 0.15 0.28 0.00 0.00 0.00 179.25 180.26 3hqq h VAL 380 N 0.90 1.19 -0.32 0.00 2.07 -1.09 -0.55 116.25 118.45 3hqq h VAL 380 Ca 0.20 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 3hqq h VAL 380 Cb 0.26 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3hqq h VAL 380 CO -0.01 0.21 0.01 0.00 0.02 0.00 0.00 177.57 177.80 3hqq h SER 382 N 0.37 0.05 -0.14 0.00 0.87 -1.27 -2.43 113.55 111.01 3hqq h SER 382 Ca 0.09 -0.25 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 3hqq h SER 382 Cb 0.42 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 3hqq h SER 382 CO 0.01 0.29 -0.04 0.77 -0.53 0.00 0.00 176.83 177.33 3hqq h SER 383 N -0.19 0.38 -0.63 6.23 4.64 -1.15 -1.78 113.55 121.05 3hqq h SER 383 Ca 0.01 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 3hqq h SER 383 Cb 0.26 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 3hqq h SER 383 CO 0.00 0.48 0.20 0.00 -0.87 0.00 0.00 176.83 176.64 3hqq h ALA 384 N 1.57 1.10 -0.72 5.18 0.00 -0.98 -0.22 119.26 125.18 3hqq h ALA 384 Ca 0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3hqq h ALA 384 Cb 0.33 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hqq h ALA 384 CO 0.01 0.61 0.19 0.28 0.00 0.00 0.00 179.25 180.35 3hqq h VAL 385 N 0.98 1.26 -0.68 0.00 2.07 -1.20 -1.99 116.25 116.69 3hqq h VAL 385 Ca 0.21 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3hqq h VAL 385 Cb 0.29 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3hqq h VAL 385 CO -0.01 0.37 0.39 -1.13 0.02 0.00 0.00 177.57 177.21 3hqq h ASN 386 N 1.08 0.82 -0.65 0.57 -0.73 -0.43 0.22 115.58 116.46 3hqq h ASN 386 Ca 0.23 -0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.32 3hqq h ASN 386 Cb 0.35 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.70 3hqq h ASN 386 CO -0.00 0.65 0.33 0.28 -0.37 0.00 0.00 177.43 178.31 3hqq h SER 387 N 0.94 0.86 -0.25 1.15 0.02 -0.75 -0.98 113.55 114.54 3hqq h SER 387 Ca 0.24 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3hqq h SER 387 Cb -0.00 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3hqq h SER 387 CO -0.04 0.73 0.10 0.58 -1.14 0.00 0.00 176.83 177.06 3hqq h VAL 388 N 0.95 1.17 -0.70 2.27 2.07 -0.23 -2.02 116.25 119.76 3hqq h VAL 388 Ca 0.23 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 3hqq h VAL 388 Cb 0.09 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3hqq h VAL 388 CO -0.03 0.18 0.16 1.88 0.02 0.00 0.00 177.57 179.78 3hqq h TYR 389 N 0.26 1.19 -0.64 1.57 0.05 -1.04 -1.24 116.97 117.11 3hqq h TYR 389 Ca 0.08 -0.14 -0.06 0.00 0.05 0.00 0.00 58.73 58.66 3hqq h TYR 389 Cb 0.19 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 3hqq h TYR 389 CO -0.01 0.97 0.17 0.93 -1.05 0.00 0.00 178.16 179.17 3hqq h GLU 390 N 1.06 0.99 -0.00 4.88 5.08 -1.02 -3.15 114.58 122.42 3hqq h GLU 390 Ca 0.22 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hqq h GLU 390 Cb 0.38 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3hqq h GLU 390 CO 0.00 0.87 -0.62 0.25 -1.00 0.00 0.00 179.01 178.51 3hqq n THR 391 N -4.26 0.00 -3.61 1.13 -2.24 -0.77 -4.98 114.28 99.56 3hqq n THR 391 Ca 0.05 -0.05 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 3hqq n THR 391 Cb 0.23 0.64 0.07 0.00 -2.10 0.00 0.00 70.33 69.17 3hqq n THR 391 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hqq n LYS 392 N -1.20 -6.77 -2.03 -0.78 5.02 -0.54 -4.95 118.16 106.91 3hqq n LYS 392 Ca 0.06 0.77 -0.41 0.00 -2.02 0.00 0.00 58.31 56.72 3hqq n LYS 392 Cb 0.35 -5.73 -0.02 0.00 -0.02 0.00 0.00 35.03 29.62 3hqq n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqq s ALA 393 N -3.38 3.54 -2.27 7.82 0.00 -0.80 -4.84 121.76 121.84 3hqq s ALA 393 Ca 0.33 1.34 0.24 0.00 0.00 0.00 0.00 51.96 53.87 3hqq s ALA 393 Cb -0.15 -3.52 0.31 0.00 0.00 0.00 0.00 23.12 19.76 3hqq s ALA 393 CO 0.76 -0.74 1.30 1.63 0.00 0.00 0.00 175.76 178.70 3hqq n LYS 394 N 1.06 1.46 -3.71 0.00 5.02 -1.07 -4.75 118.16 116.17 3hqq n LYS 394 Ca 0.02 -1.13 -0.09 0.00 -2.02 0.00 0.00 58.31 55.09 3hqq n LYS 394 Cb 0.41 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 3hqq n LYS 394 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqq s ALA 395 N -2.31 -1.22 0.01 7.82 0.00 -1.25 -4.22 121.76 120.58 3hqq s ALA 395 Ca 0.24 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.13 3hqq s ALA 395 Cb 0.19 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 24.17 3hqq s ALA 395 CO 0.47 -0.90 -0.03 1.41 0.00 0.00 0.00 175.76 176.71 3hqq s MET 396 N -3.86 0.23 -0.07 0.00 1.75 -0.93 -2.37 119.30 114.05 3hqq s MET 396 Ca 0.08 -0.29 0.03 0.00 -1.25 0.00 0.00 55.69 54.26 3hqq s MET 396 Cb -0.03 -0.09 0.01 0.00 2.84 0.00 0.00 34.83 37.55 3hqq s MET 396 CO -0.01 0.02 -0.14 0.08 -0.65 0.00 0.00 175.02 174.32 3hqq s VAL 397 N -0.57 1.24 0.04 10.11 1.01 -0.40 0.44 120.40 132.27 3hqq s VAL 397 Ca -0.05 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.44 3hqq s VAL 397 Cb -0.04 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3hqq s VAL 397 CO -0.00 0.38 -0.16 -0.69 0.00 0.00 0.00 175.10 174.62 3hqq s VAL 398 N 0.57 1.28 -0.32 2.92 1.01 0.37 -1.34 120.40 124.89 3hqq s VAL 398 Ca -0.14 -1.09 -0.15 0.00 0.00 0.00 0.00 61.98 60.60 3hqq s VAL 398 Cb -0.16 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 3hqq s VAL 398 CO 0.04 0.04 0.36 -0.76 0.00 0.00 0.00 175.10 174.79 3hqq s LEU 399 N -1.21 4.32 -0.03 3.92 1.02 -0.98 -0.90 118.68 124.82 3hqq s LEU 399 Ca 0.03 -0.09 -0.00 0.00 0.02 0.00 0.00 54.13 54.09 3hqq s LEU 399 Cb -0.08 -2.36 0.03 0.00 0.02 0.00 0.00 46.19 43.80 3hqq s LEU 399 CO 0.02 -0.30 0.02 -0.55 0.02 0.00 0.00 176.35 175.57 3hqq s SER 400 N 1.72 0.54 -0.18 2.29 0.15 -1.04 -4.80 113.70 112.37 3hqq s SER 400 Ca 0.13 0.02 -0.13 0.00 0.70 0.00 0.00 55.95 56.67 3hqq s SER 400 Cb -0.16 -0.16 -0.21 0.00 -1.71 0.00 0.00 66.02 63.77 3hqq s SER 400 CO 0.11 -0.15 0.18 0.59 1.20 0.00 0.00 173.24 175.17 3hqq n ASN 401 N 4.50 1.99 0.22 5.45 3.02 -1.26 -4.09 115.26 125.09 3hqq n ASN 401 Ca -0.20 0.28 0.11 0.00 -0.03 0.00 0.00 54.58 54.73 3hqq n ASN 401 Cb 0.50 -0.87 0.45 0.00 -0.61 0.00 0.00 39.78 39.26 3hqq n ASN 401 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3hqq h THR 402 N -0.48 0.48 0.00 3.41 1.35 -1.98 -3.41 112.91 112.27 3hqq h THR 402 Ca -0.44 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 3hqq h THR 402 Cb 1.69 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 3hqq h THR 402 CO -0.10 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 3hqq n GLY 403 N 0.23 1.22 0.10 5.82 0.00 -1.26 -4.92 105.19 106.38 3hqq n GLY 403 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3hqq n GLY 403 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hqq h ARG 404 N 3.25 -0.08 -1.00 1.61 2.43 -1.92 -2.68 114.38 115.98 3hqq h ARG 404 Ca 0.00 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3hqq h ARG 404 Cb 0.00 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 3hqq h ARG 404 CO 0.00 -0.06 0.66 0.77 -1.51 0.00 0.00 179.97 179.83 3hqq h SER 405 N -0.09 1.10 -0.71 -3.80 0.02 -1.92 -2.15 113.55 105.99 3hqq h SER 405 Ca 0.03 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 3hqq h SER 405 Cb 0.13 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3hqq h SER 405 CO -0.08 0.75 0.24 0.00 -1.14 0.00 0.00 176.83 176.60 3hqq h ALA 406 N 1.42 0.93 -0.74 3.77 0.00 -1.81 -2.61 119.26 120.21 3hqq h ALA 406 Ca 0.40 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3hqq h ALA 406 Cb -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3hqq h ALA 406 CO -0.12 0.59 0.24 0.00 0.00 0.00 0.00 179.25 179.96 3hqq h ARG 407 N 1.04 1.15 -0.72 0.00 3.08 -1.12 -2.16 114.38 115.64 3hqq h ARG 407 Ca 0.23 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3hqq h ARG 407 Cb 0.28 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3hqq h ARG 407 CO -0.01 0.97 0.40 1.25 -1.07 0.00 0.00 179.97 181.51 3hqq h LEU 408 N 1.10 0.90 -0.29 3.04 5.85 -1.25 -0.94 115.31 123.71 3hqq h LEU 408 Ca 0.24 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 3hqq h LEU 408 Cb 0.30 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3hqq h LEU 408 CO -0.01 0.74 -0.05 0.58 -0.34 0.00 0.00 178.44 179.36 3hqq h VAL 409 N 0.99 1.27 0.00 1.05 2.07 -1.42 -3.26 116.25 116.97 3hqq h VAL 409 Ca 0.25 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 3hqq h VAL 409 Cb 0.03 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3hqq h VAL 409 CO -0.04 0.34 -0.18 0.00 0.02 0.00 0.00 177.57 177.71 3hqq h ALA 410 N 0.80 1.57 -0.08 1.67 0.00 -1.10 -2.20 119.26 119.94 3hqq h ALA 410 Ca 0.08 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3hqq h ALA 410 Cb 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hqq h ALA 410 CO 0.02 0.22 0.06 -0.22 0.00 0.00 0.00 179.25 179.34 3hqq h LYS 411 N 0.00 0.00 -0.26 0.00 3.64 -1.21 -1.38 116.57 117.36 3hqq h LYS 411 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hqq h LYS 411 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3hqq h LYS 411 CO 0.02 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.86 3hqq n TYR 412 N -4.28 0.33 -3.58 1.91 4.01 -0.82 -4.98 117.16 109.74 3hqq n TYR 412 Ca -0.01 -0.17 -0.26 0.00 -0.16 0.00 0.00 57.90 57.30 3hqq n TYR 412 Cb 0.17 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.24 3hqq n TYR 412 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3hqq n ARG 413 N 0.58 -1.34 -1.17 -0.72 5.12 -0.52 -4.36 116.66 114.25 3hqq n ARG 413 Ca 0.16 0.64 -0.31 0.00 -1.93 0.00 0.00 57.85 56.41 3hqq n ARG 413 Cb 0.37 -4.26 0.10 0.00 -1.16 0.00 0.00 32.46 27.51 3hqq n ARG 413 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3hqq s PRO 414 N -5.40 2.03 -0.30 5.56 0.04 -1.26 -4.60 135.00 131.08 3hqq s PRO 414 Ca 0.37 1.21 0.08 0.00 0.04 0.00 0.00 61.00 62.71 3hqq s PRO 414 Cb -0.12 -1.87 0.65 0.00 0.04 0.00 0.00 34.50 33.20 3hqq s PRO 414 CO 0.84 -1.82 1.69 0.27 0.04 0.00 0.00 177.00 178.03 3hqq n ASN 415 N -3.65 4.39 -4.05 6.66 6.94 -1.26 -4.89 115.26 119.41 3hqq n ASN 415 Ca 0.09 -3.10 -0.09 0.00 -0.02 0.00 0.00 54.58 51.46 3hqq n ASN 415 Cb 0.53 -0.73 -0.09 0.00 -2.36 0.00 0.00 39.78 37.13 3hqq n ASN 415 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hqq s PRO 417 N -3.97 3.03 -0.14 0.00 0.02 -1.26 -4.85 135.00 127.83 3hqq s PRO 417 Ca 0.16 2.02 -0.02 0.00 0.02 0.00 0.00 61.00 63.18 3hqq s PRO 417 Cb 0.06 -2.09 -0.02 0.00 0.02 0.00 0.00 34.50 32.48 3hqq s PRO 417 CO -0.03 -1.21 -0.08 0.42 -0.33 0.00 0.00 177.00 175.76 3hqq s ILE 418 N -1.43 3.46 -0.24 2.83 1.01 -1.08 -2.19 121.20 123.56 3hqq s ILE 418 Ca 0.75 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.87 3hqq s ILE 418 Cb -0.35 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.65 3hqq s ILE 418 CO 0.40 0.51 -0.07 -0.69 0.00 0.00 0.00 174.94 175.09 3hqq s VAL 419 N 0.37 2.87 -0.17 2.92 1.01 0.17 -1.66 120.40 125.90 3hqq s VAL 419 Ca -0.08 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 3hqq s VAL 419 Cb -0.15 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 3hqq s VAL 419 CO 0.04 0.27 0.18 0.00 0.00 0.00 0.00 175.10 175.60 3hqq s VAL 421 N 0.16 3.43 0.07 0.00 1.01 -0.08 -0.75 120.40 124.24 3hqq s VAL 421 Ca 0.12 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.60 3hqq s VAL 421 Cb -0.12 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3hqq s VAL 421 CO 0.01 0.36 -0.18 0.28 0.00 0.00 0.00 175.10 175.57 3hqq s THR 422 N 1.47 1.42 -2.28 3.92 -1.32 -0.63 -2.51 115.64 115.71 3hqq s THR 422 Ca 0.05 -1.31 0.21 0.00 -1.21 0.00 0.00 61.69 59.43 3hqq s THR 422 Cb -0.15 -1.29 0.46 0.00 -1.51 0.00 0.00 72.50 70.01 3hqq s THR 422 CO -0.02 -0.05 1.44 0.35 -2.21 0.00 0.00 174.62 174.13 3hqq n THR 423 N 1.44 0.51 -4.56 5.08 -2.24 -1.26 -0.57 114.28 112.68 3hqq n THR 423 Ca -0.19 -0.65 -0.29 0.00 -2.27 0.00 0.00 64.05 60.65 3hqq n THR 423 Cb 0.54 0.64 -0.17 0.00 -2.10 0.00 0.00 70.33 69.24 3hqq n THR 423 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hqq s ARG 424 N -1.49 2.37 0.27 -0.78 3.00 -1.26 -4.74 118.95 116.32 3hqq s ARG 424 Ca 0.37 -0.62 -0.03 0.00 0.00 0.00 0.00 55.73 55.45 3hqq s ARG 424 Cb 0.21 -1.97 0.36 0.00 0.00 0.00 0.00 34.95 33.55 3hqq s ARG 424 CO 0.29 -0.03 1.84 -0.07 0.00 0.00 0.00 175.30 177.32 3hqq h LEU 425 N 7.32 0.86 -1.33 2.53 3.38 -1.96 -2.33 115.31 123.78 3hqq h LEU 425 Ca -0.30 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 3hqq h LEU 425 Cb 1.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3hqq h LEU 425 CO 0.50 0.79 0.13 -0.61 0.09 0.00 0.00 178.44 179.34 3hqq h GLN 426 N 0.91 0.58 -0.83 1.13 4.15 -1.97 -1.29 115.11 117.79 3hqq h GLN 426 Ca 0.21 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 3hqq h GLN 426 Cb 0.22 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 3hqq h GLN 426 CO -0.01 0.51 0.38 1.15 -1.93 0.00 0.00 178.83 178.93 3hqq h THR 427 N 0.58 1.26 -0.76 2.39 2.02 -1.73 0.12 112.91 116.79 3hqq h THR 427 Ca 0.14 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 3hqq h THR 427 Cb 0.17 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 3hqq h THR 427 CO -0.01 0.32 0.36 0.00 0.37 0.00 0.00 175.52 176.56 3hqq h ARG 429 N 1.08 0.60 -0.13 0.00 3.08 -0.90 -3.27 114.38 114.84 3hqq h ARG 429 Ca 0.26 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3hqq h ARG 429 Cb 0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3hqq h ARG 429 CO -0.03 0.79 -0.09 1.96 -1.07 0.00 0.00 179.97 181.53 3hqq h GLN 430 N 0.37 0.19 0.00 0.04 4.20 -0.52 -1.27 115.11 118.11 3hqq h GLN 430 Ca 0.08 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3hqq h GLN 430 Cb 0.57 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3hqq h GLN 430 CO 0.03 0.29 0.00 1.28 -0.67 0.00 0.00 178.83 179.76 3hqq n LEU 431 N -4.34 0.00 0.02 1.46 4.77 -0.73 -3.04 117.00 115.15 3hqq n LEU 431 Ca -0.01 0.21 0.09 0.00 -0.03 0.00 0.00 56.01 56.27 3hqq n LEU 431 Cb 0.22 -0.21 0.37 0.00 -2.33 0.00 0.00 43.42 41.47 3hqq n LEU 431 CO 0.37 -0.06 0.77 0.59 -1.33 0.00 0.00 177.39 177.74 3hqq n ASN 432 N -1.21 0.12 -1.11 -1.43 4.13 -0.48 -1.99 115.26 113.29 3hqq n ASN 432 Ca 0.12 0.53 0.12 0.00 1.68 0.00 0.00 54.58 57.03 3hqq n ASN 432 Cb 0.15 -0.55 0.20 0.00 -1.54 0.00 0.00 39.78 38.04 3hqq n ASN 432 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3hqq n ILE 433 N -1.63 0.47 -3.80 2.41 -5.35 -1.17 -4.78 119.36 105.51 3hqq n ILE 433 Ca 0.04 -0.74 -0.36 0.00 -0.27 0.00 0.00 62.75 61.42 3hqq n ILE 433 Cb 0.20 1.02 -0.10 0.00 -1.74 0.00 0.00 39.64 39.02 3hqq n ILE 433 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3hqq s THR 434 N -1.49 5.02 0.51 7.28 2.01 -0.84 -4.65 115.64 123.48 3hqq s THR 434 Ca 0.37 0.06 -0.22 0.00 0.31 0.00 0.00 61.69 62.20 3hqq s THR 434 Cb 0.22 -3.31 -0.06 0.00 0.01 0.00 0.00 72.50 69.36 3hqq s THR 434 CO 0.31 0.39 1.26 0.00 -0.69 0.00 0.00 174.62 175.88 3hqq s GLN 435 N 0.86 3.43 -0.82 4.92 1.03 -1.26 -3.84 119.66 123.98 3hqq s GLN 435 Ca 0.06 1.99 0.00 0.00 0.04 0.00 0.00 55.36 57.45 3hqq s GLN 435 Cb -0.13 -2.31 0.00 0.00 0.03 0.00 0.00 33.01 30.60 3hqq s GLN 435 CO 0.03 -0.88 0.00 0.41 -2.54 0.00 0.00 175.29 172.30 3hqq n GLY 436 N 0.58 0.98 3.16 2.60 0.00 0.95 -4.88 105.19 108.58 3hqq n GLY 436 Ca 0.09 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 3hqq n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hqq s VAL 437 N -2.27 1.49 -0.02 1.61 1.01 -1.25 -2.63 120.40 118.34 3hqq s VAL 437 Ca 0.00 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3hqq s VAL 437 Cb 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3hqq s VAL 437 CO 0.00 0.43 -0.21 -1.61 0.00 0.00 0.00 175.10 173.70 3hqq s GLU 438 N -0.12 1.76 -0.08 2.72 2.02 -0.67 -4.93 118.70 119.41 3hqq s GLU 438 Ca -0.00 -0.76 -0.01 0.00 0.02 0.00 0.00 54.97 54.22 3hqq s GLU 438 Cb -0.10 -1.69 -0.03 0.00 0.10 0.00 0.00 34.13 32.41 3hqq s GLU 438 CO 0.01 0.45 -0.02 -1.12 0.02 0.00 0.00 175.26 174.60 3hqq s SER 439 N -0.46 5.03 -0.17 -0.19 0.01 -1.26 -0.44 113.70 116.22 3hqq s SER 439 Ca 0.07 0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.42 3hqq s SER 439 Cb -0.09 -1.36 0.01 0.00 0.21 0.00 0.00 66.02 64.79 3hqq s SER 439 CO -0.01 0.37 -0.18 -0.69 0.41 0.00 0.00 173.24 173.14 3hqq s VAL 440 N -0.87 2.25 0.09 3.43 1.01 0.07 -4.94 120.40 121.43 3hqq s VAL 440 Ca 0.13 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 3hqq s VAL 440 Cb -0.11 -1.94 -0.06 0.00 0.00 0.00 0.00 36.38 34.27 3hqq s VAL 440 CO 0.02 0.53 0.88 0.12 0.00 0.00 0.00 175.10 176.66 3hqq s PHE 441 N 1.15 3.79 -0.18 5.22 5.36 -1.26 -1.60 117.98 130.45 3hqq s PHE 441 Ca 0.01 1.68 0.01 0.00 -0.96 0.00 0.00 56.93 57.67 3hqq s PHE 441 Cb -0.14 -2.96 0.03 0.00 -0.34 0.00 0.00 43.02 39.61 3hqq s PHE 441 CO -0.08 0.24 -0.16 0.12 -1.46 0.00 0.00 175.22 173.88 3hqq s PHE 442 N -0.06 2.59 -0.61 10.12 5.36 0.27 -4.90 117.98 130.75 3hqq s PHE 442 Ca 0.43 -1.59 -0.25 0.00 -0.96 0.00 0.00 56.93 54.57 3hqq s PHE 442 Cb -0.22 -1.78 0.04 0.00 -0.34 0.00 0.00 43.02 40.72 3hqq s PHE 442 CO 0.27 -0.77 1.06 0.34 -1.46 0.00 0.00 175.22 174.67 3hqq s ASP 443 N 1.35 6.31 0.28 6.13 -1.08 -1.26 -4.14 116.67 124.25 3hqq s ASP 443 Ca 0.02 -0.37 -0.02 0.00 -0.52 0.00 0.00 52.55 51.66 3hqq s ASP 443 Cb -0.14 -2.48 0.38 0.00 -1.46 0.00 0.00 42.92 39.22 3hqq s ASP 443 CO -0.11 -1.43 1.86 0.00 0.52 0.00 0.00 175.17 176.02 3hqq h ALA 444 N 9.53 1.25 -0.11 3.66 0.00 -1.85 0.16 119.26 131.91 3hqq h ALA 444 Ca -0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3hqq h ALA 444 Cb 1.06 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hqq h ALA 444 CO 1.16 0.56 0.03 -0.44 0.00 0.00 0.00 179.25 180.56 3hqq h ASP 445 N 0.94 0.16 0.81 0.00 5.19 -1.89 1.12 116.42 122.74 3hqq h ASP 445 Ca 0.22 -0.20 -0.18 0.00 -0.62 0.00 0.00 57.03 56.26 3hqq h ASP 445 Cb 0.16 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 3hqq h ASP 445 CO -0.02 0.32 -0.84 0.50 -3.12 0.00 0.00 179.24 176.08 3hqq h LYS 446 N -0.01 0.02 -0.06 3.56 3.11 -1.94 -3.35 116.57 117.89 3hqq h LYS 446 Ca 0.03 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 3hqq h LYS 446 Cb 0.22 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 3hqq h LYS 446 CO -0.00 0.84 0.00 1.28 -2.81 0.00 0.00 179.45 178.76 3hqq n LEU 447 N -3.56 1.86 0.00 5.20 4.77 0.03 -5.09 117.00 120.21 3hqq n LEU 447 Ca -0.01 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 3hqq n LEU 447 Cb 0.80 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 3hqq n LEU 447 CO 0.45 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3hqq n GLY 448 N 0.39 -0.68 0.19 -0.72 0.00 0.38 -4.67 105.19 100.09 3hqq n GLY 448 Ca 0.05 -1.67 0.14 0.00 0.00 0.00 0.00 46.02 44.55 3hqq n GLY 448 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hqq h HIS 449 N 0.00 0.00 -6.24 1.61 3.86 -1.94 -3.40 115.15 109.03 3hqq h HIS 449 Ca 0.00 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.76 3hqq h HIS 449 Cb 0.00 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.48 3hqq h HIS 449 CO 0.00 0.00 -0.85 -3.47 0.86 0.00 0.00 177.93 174.47 3hqq n ASP 450 N -2.63 -0.82 0.24 2.45 2.03 -1.26 -4.87 116.55 111.69 3hqq n ASP 450 Ca 0.02 -0.89 0.09 0.00 0.52 0.00 0.00 54.79 54.52 3hqq n ASP 450 Cb 0.29 -3.67 0.61 0.00 -0.72 0.00 0.00 41.12 37.62 3hqq n ASP 450 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3hqq h GLU 451 N -1.86 0.00 -0.00 -0.67 9.09 -2.00 -1.72 114.58 117.42 3hqq h GLU 451 Ca -0.62 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.79 3hqq h GLU 451 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 3hqq h GLU 451 CO 0.59 0.16 -0.23 0.41 0.05 0.00 0.00 179.01 179.99 3hqq n GLY 452 N -0.88 -0.96 2.99 1.06 0.00 -1.26 -4.89 105.19 101.25 3hqq n GLY 452 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3hqq n GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hqq n LYS 453 N -1.03 0.00 -0.25 1.61 5.02 -0.65 -4.87 118.16 117.99 3hqq n LYS 453 Ca 0.11 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.36 3hqq n LYS 453 Cb 0.32 -2.18 0.11 0.00 -0.02 0.00 0.00 35.03 33.26 3hqq n LYS 453 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3hqq h GLU 454 N 2.70 1.10 -0.14 1.97 4.11 -1.91 -2.23 114.58 120.17 3hqq h GLU 454 Ca 0.00 -0.19 -0.04 0.00 0.07 0.00 0.00 59.36 59.20 3hqq h GLU 454 Cb 0.00 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3hqq h GLU 454 CO 0.00 0.89 -0.05 0.45 0.07 0.00 0.00 179.01 180.37 3hqq h HIS 455 N 1.07 0.32 -0.78 2.06 3.86 -1.90 -1.46 115.15 118.32 3hqq h HIS 455 Ca 0.25 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3hqq h HIS 455 Cb 0.20 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 3hqq h HIS 455 CO 0.02 0.59 0.44 0.00 0.86 0.00 0.00 177.93 179.84 3hqq h ARG 456 N -0.04 1.09 -0.80 2.45 3.08 -1.90 -1.78 114.38 116.47 3hqq h ARG 456 Ca 0.03 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3hqq h ARG 456 Cb 0.50 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 3hqq h ARG 456 CO 0.02 0.80 0.40 0.28 -1.07 0.00 0.00 179.97 180.40 3hqq h VAL 457 N 1.09 1.25 -0.79 2.04 2.07 -1.39 -1.93 116.25 118.59 3hqq h VAL 457 Ca 0.28 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 3hqq h VAL 457 Cb 0.02 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3hqq h VAL 457 CO -0.05 0.29 0.30 0.00 0.02 0.00 0.00 177.57 178.14 3hqq h ALA 458 N 1.21 1.04 -0.43 1.67 0.00 -0.66 -2.30 119.26 119.80 3hqq h ALA 458 Ca 0.28 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hqq h ALA 458 Cb 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3hqq h ALA 458 CO -0.04 0.67 0.11 0.00 0.00 0.00 0.00 179.25 179.99 3hqq h ALA 459 N 1.17 0.56 -0.59 0.00 0.00 -0.96 -0.32 119.26 119.12 3hqq h ALA 459 Ca 0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3hqq h ALA 459 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hqq h ALA 459 CO -0.02 0.24 0.23 0.78 0.00 0.00 0.00 179.25 180.48 3hqq h GLY 460 N 0.56 0.96 1.00 0.00 0.00 -1.27 -1.10 103.07 103.21 3hqq h GLY 460 Ca 0.14 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 3hqq h GLY 460 CO 0.00 0.50 0.25 -2.08 0.00 0.00 0.00 176.54 175.21 3hqq h VAL 461 N 0.82 1.23 -0.75 4.60 2.07 -1.33 -2.09 116.25 120.80 3hqq h VAL 461 Ca 0.20 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 3hqq h VAL 461 Cb 0.22 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3hqq h VAL 461 CO -0.01 0.28 0.33 -0.08 0.02 0.00 0.00 177.57 178.11 3hqq h GLU 462 N 0.86 1.10 -0.91 1.57 4.57 -0.83 -1.16 114.58 119.78 3hqq h GLU 462 Ca 0.21 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3hqq h GLU 462 Cb 0.19 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 3hqq h GLU 462 CO -0.02 0.88 0.55 0.35 -1.18 0.00 0.00 179.01 179.59 3hqq h PHE 463 N 1.07 1.20 -0.60 0.92 3.57 -1.06 0.97 116.94 123.02 3hqq h PHE 463 Ca 0.25 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 3hqq h PHE 463 Cb 0.17 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 3hqq h PHE 463 CO 0.01 0.80 0.15 0.00 -2.23 0.00 0.00 178.31 177.05 3hqq h ALA 464 N 1.30 1.15 -0.40 2.41 0.00 -0.65 -1.85 119.26 121.22 3hqq h ALA 464 Ca 0.33 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hqq h ALA 464 Cb -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3hqq h ALA 464 CO -0.06 0.58 0.08 0.87 0.00 0.00 0.00 179.25 180.72 3hqq h LYS 465 N 0.88 0.65 -0.62 0.00 1.57 -0.61 -1.59 116.57 116.86 3hqq h LYS 465 Ca 0.19 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3hqq h LYS 465 Cb 0.30 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3hqq h LYS 465 CO -0.00 0.69 0.26 0.66 -0.57 0.00 0.00 179.45 180.48 3hqq h SER 466 N 0.51 0.82 0.17 0.86 4.64 -0.38 -1.76 113.55 118.42 3hqq h SER 466 Ca 0.12 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3hqq h SER 466 Cb 0.34 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3hqq h SER 466 CO 0.00 0.73 -0.11 0.29 -0.87 0.00 0.00 176.83 176.88 3hqq n LYS 467 N -4.32 1.06 -0.79 4.77 4.76 -0.73 -4.93 118.16 117.98 3hqq n LYS 467 Ca 0.05 -0.51 0.00 0.00 -2.87 0.00 0.00 58.31 54.98 3hqq n LYS 467 Cb 0.16 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 3hqq n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hqq n GLY 468 N 1.24 0.63 0.30 0.72 0.00 -0.66 -4.93 105.19 102.48 3hqq n GLY 468 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 3hqq n GLY 468 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hqq h TYR 469 N 0.00 0.87 -3.68 1.61 0.05 -1.54 -3.45 116.97 110.83 3hqq h TYR 469 Ca 0.00 -0.10 -0.46 0.00 0.05 0.00 0.00 58.73 58.22 3hqq h TYR 469 Cb 0.00 -0.25 -0.20 0.00 1.01 0.00 0.00 36.73 37.30 3hqq h TYR 469 CO 0.00 0.76 -0.78 0.14 -1.05 0.00 0.00 178.16 177.23 3hqq s VAL 470 N -5.12 1.43 0.35 -2.88 -7.23 -1.15 -4.76 120.40 101.04 3hqq s VAL 470 Ca -0.10 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 3hqq s VAL 470 Cb 0.15 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.57 3hqq s VAL 470 CO 0.81 -0.29 0.11 -1.10 -0.31 0.00 0.00 175.10 174.32 3hqq s GLN 471 N -2.34 1.73 0.41 4.82 -0.21 -1.26 -4.48 119.66 118.33 3hqq s GLN 471 Ca 0.07 -2.01 -0.26 0.00 0.02 0.00 0.00 55.36 53.18 3hqq s GLN 471 Cb -0.07 -0.53 -0.09 0.00 1.00 0.00 0.00 33.01 33.33 3hqq s GLN 471 CO 0.04 -0.38 1.33 0.95 -2.12 0.00 0.00 175.29 175.11 3hqq s THR 472 N -3.38 2.50 0.00 -0.19 -4.23 -1.25 -2.21 115.64 106.88 3hqq s THR 472 Ca 0.31 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 3hqq s THR 472 Cb 0.05 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.62 3hqq s THR 472 CO 0.15 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 3hqq n GLY 473 N 0.65 1.29 3.84 3.99 0.00 0.76 -4.96 105.19 110.77 3hqq n GLY 473 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3hqq n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hqq s ASP 474 N -2.87 6.45 -0.01 1.61 1.01 -0.94 -4.74 116.67 117.18 3hqq s ASP 474 Ca 0.00 1.59 -0.15 0.00 0.71 0.00 0.00 52.55 54.70 3hqq s ASP 474 Cb 0.00 -2.51 -0.06 0.00 1.01 0.00 0.00 42.92 41.37 3hqq s ASP 474 CO 0.00 -0.71 0.40 -0.31 0.21 0.00 0.00 175.17 174.76 3hqq s TYR 475 N -2.67 3.71 -0.08 4.23 2.02 -1.26 -1.01 117.35 122.28 3hqq s TYR 475 Ca 0.59 0.97 0.02 0.00 -0.37 0.00 0.00 57.07 58.29 3hqq s TYR 475 Cb -0.11 -2.30 0.01 0.00 -0.40 0.00 0.00 41.96 39.16 3hqq s TYR 475 CO 0.35 0.61 -0.15 0.00 -1.57 0.00 0.00 175.55 174.79 3hqq s VAL 477 N 0.71 5.37 -0.04 0.00 1.01 -1.00 -1.64 120.40 124.82 3hqq s VAL 477 Ca -0.13 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.14 3hqq s VAL 477 Cb -0.16 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3hqq s VAL 477 CO 0.03 0.38 -0.24 -0.69 0.00 0.00 0.00 175.10 174.58 3hqq s VAL 478 N 0.80 1.91 -0.10 2.92 1.01 -0.15 -1.28 120.40 125.52 3hqq s VAL 478 Ca 0.09 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3hqq s VAL 478 Cb -0.13 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.67 3hqq s VAL 478 CO 0.02 0.54 -0.09 -0.63 0.00 0.00 0.00 175.10 174.94 3hqq s ILE 479 N -0.28 1.07 0.09 2.22 1.01 -0.45 -1.35 121.20 123.50 3hqq s ILE 479 Ca 0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 3hqq s ILE 479 Cb -0.12 -1.04 0.04 0.00 0.01 0.00 0.00 42.46 41.34 3hqq s ILE 479 CO 0.02 0.36 0.48 0.00 0.00 0.00 0.00 174.94 175.80 3hqq n HIS 480 N 4.53 -0.95 -1.77 3.97 1.44 -1.11 -2.31 115.22 119.01 3hqq n HIS 480 Ca -0.17 -0.60 -0.31 0.00 -2.01 0.00 0.00 57.72 54.64 3hqq n HIS 480 Cb 0.51 0.29 0.04 0.00 0.12 0.00 0.00 29.99 30.95 3hqq n HIS 480 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hqq s ALA 481 N -1.48 2.84 0.85 1.59 0.00 -1.26 -1.40 121.76 122.89 3hqq s ALA 481 Ca 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 3hqq s ALA 481 Cb -0.01 -3.09 0.07 0.00 0.00 0.00 0.00 23.12 20.09 3hqq s ALA 481 CO 0.03 -1.07 0.42 -0.40 0.00 0.00 0.00 175.76 174.73 3hqq n ASP 482 N -2.99 0.16 -0.23 0.00 5.68 -1.26 -4.85 116.55 113.06 3hqq n ASP 482 Ca 0.07 -1.23 -0.08 0.00 -0.50 0.00 0.00 54.79 53.04 3hqq n ASP 482 Cb 0.55 -0.31 0.04 0.00 -1.14 0.00 0.00 41.12 40.26 3hqq n ASP 482 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3hqq h HIS 483 N -1.01 1.18 -0.02 2.11 3.86 -1.95 -3.32 115.15 115.99 3hqq h HIS 483 Ca -0.14 -0.19 -0.03 0.00 -1.16 0.00 0.00 60.37 58.85 3hqq h HIS 483 Cb 0.40 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3hqq h HIS 483 CO 0.00 1.02 -0.12 -0.22 0.86 0.00 0.00 177.93 179.47 3hqq h LYS 484 N 1.01 0.12 -6.77 2.45 3.64 -1.97 -3.48 116.57 111.57 3hqq h LYS 484 Ca 0.19 -0.10 -0.52 0.00 -1.27 0.00 0.00 60.65 58.95 3hqq h LYS 484 Cb 0.51 0.02 0.04 0.00 -0.41 0.00 0.00 32.23 32.39 3hqq h LYS 484 CO 0.02 0.77 0.59 0.08 -2.27 0.00 0.00 179.45 178.64 3hqq s VAL 485 N -3.53 3.18 -0.01 2.00 1.01 -1.25 -5.04 120.40 116.75 3hqq s VAL 485 Ca -0.16 1.09 0.05 0.00 0.00 0.00 0.00 61.98 62.96 3hqq s VAL 485 Cb 0.01 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3hqq s VAL 485 CO 0.71 0.22 -0.16 -0.54 0.00 0.00 0.00 175.10 175.33 3hqq s LYS 486 N -1.01 1.33 0.00 2.72 -0.14 -1.26 -4.65 119.74 116.73 3hqq s LYS 486 Ca 0.50 -0.59 0.00 0.00 -1.36 0.00 0.00 55.97 54.52 3hqq s LYS 486 Cb -0.36 -1.28 0.00 0.00 -1.68 0.00 0.00 37.83 34.51 3hqq s LYS 486 CO 0.43 0.35 0.00 0.41 -0.76 0.00 0.00 175.35 175.78 3hqq n GLY 487 N 2.66 1.09 3.76 -3.33 0.00 -1.26 -5.02 105.19 103.09 3hqq n GLY 487 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 3hqq n GLY 487 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hqq s TYR 488 N -2.27 0.05 -0.26 1.61 -0.85 -1.26 -5.10 117.35 109.27 3hqq s TYR 488 Ca 0.00 -0.49 -0.10 0.00 -0.52 0.00 0.00 57.07 55.95 3hqq s TYR 488 Cb 0.00 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.82 3hqq s TYR 488 CO 0.00 -1.18 0.17 0.00 -1.52 0.00 0.00 175.55 173.01 3hqq s ALA 489 N -3.80 3.53 -1.44 9.51 0.00 -1.26 -4.27 121.76 124.04 3hqq s ALA 489 Ca 0.16 -1.01 0.16 0.00 0.00 0.00 0.00 51.96 51.26 3hqq s ALA 489 Cb -0.04 -2.38 0.41 0.00 0.00 0.00 0.00 23.12 21.11 3hqq s ALA 489 CO 0.08 -0.39 1.33 0.27 0.00 0.00 0.00 175.76 177.05 3hqq n ASN 490 N 4.72 3.23 -4.09 0.00 2.04 -1.20 -4.19 115.26 115.77 3hqq n ASN 490 Ca -0.15 -1.96 -0.18 0.00 -0.44 0.00 0.00 54.58 51.85 3hqq n ASN 490 Cb 0.52 -0.30 -0.13 0.00 -2.53 0.00 0.00 39.78 37.34 3hqq n ASN 490 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 3hqq s GLN 491 N -1.04 0.80 0.00 -3.83 0.74 -0.49 -4.91 119.66 110.93 3hqq s GLN 491 Ca 0.32 -0.61 0.05 0.00 0.05 0.00 0.00 55.36 55.17 3hqq s GLN 491 Cb 0.17 -0.77 -0.01 0.00 1.10 0.00 0.00 33.01 33.50 3hqq s GLN 491 CO 0.23 0.19 -0.14 -0.08 -0.55 0.00 0.00 175.29 174.94 3hqq s THR 492 N -0.71 1.13 -0.01 -0.34 -1.32 -1.26 -2.77 115.64 110.36 3hqq s THR 492 Ca 0.01 -0.71 0.02 0.00 -1.21 0.00 0.00 61.69 59.80 3hqq s THR 492 Cb -0.07 -0.96 -0.00 0.00 -1.51 0.00 0.00 72.50 69.96 3hqq s THR 492 CO 0.01 0.24 -0.07 -0.13 -2.21 0.00 0.00 174.62 172.46 3hqq s ARG 493 N -0.54 0.62 -0.39 7.08 0.52 -0.46 -4.98 118.95 120.81 3hqq s ARG 493 Ca 0.05 -0.25 -0.14 0.00 -0.52 0.00 0.00 55.73 54.86 3hqq s ARG 493 Cb -0.06 -0.60 0.01 0.00 0.52 0.00 0.00 34.95 34.82 3hqq s ARG 493 CO -0.00 0.14 0.28 0.42 0.02 0.00 0.00 175.30 176.16 3hqq s ILE 494 N -0.08 5.23 0.01 1.52 1.01 -1.26 -0.98 121.20 126.65 3hqq s ILE 494 Ca 0.02 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.17 3hqq s ILE 494 Cb -0.04 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 3hqq s ILE 494 CO -0.00 -0.21 -0.10 -1.48 0.00 0.00 0.00 174.94 173.14 3hqq s LEU 495 N 1.69 2.98 0.15 2.97 0.05 -0.65 -4.94 118.68 120.92 3hqq s LEU 495 Ca 0.05 -0.22 -0.27 0.00 0.05 0.00 0.00 54.13 53.75 3hqq s LEU 495 Cb -0.19 -1.71 -0.08 0.00 -2.05 0.00 0.00 46.19 42.17 3hqq s LEU 495 CO 0.10 0.28 0.83 -0.22 -0.55 0.00 0.00 176.35 176.79 3hqq s LEU 496 N -1.33 4.57 -0.15 1.48 2.96 -1.26 -1.27 118.68 123.68 3hqq s LEU 496 Ca 0.16 1.69 -0.09 0.00 -0.22 0.00 0.00 54.13 55.66 3hqq s LEU 496 Cb -0.11 -3.38 -0.05 0.00 0.50 0.00 0.00 46.19 43.16 3hqq s LEU 496 CO 0.06 0.14 0.16 0.68 -1.32 0.00 0.00 176.35 176.07 3hqq s VAL 497 N -0.85 5.43 -0.65 1.68 -7.23 -0.18 -4.93 120.40 113.66 3hqq s VAL 497 Ca 0.38 0.25 0.05 0.00 -1.81 0.00 0.00 61.98 60.86 3hqq s VAL 497 Cb -0.23 -3.46 0.04 0.00 0.56 0.00 0.00 36.38 33.29 3hqq s VAL 497 CO 0.27 0.52 0.67 -0.62 -0.31 0.00 0.00 175.10 175.63