#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqp h GLN 2 N 0.00 0.70 -0.18 4.33 5.75 -2.05 -1.86 115.11 121.80 3hqp h GLN 2 Ca 0.00 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 3hqp h GLN 2 Cb 0.00 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 3hqp h GLN 2 CO 0.00 0.53 0.07 1.25 -2.65 0.00 0.00 178.83 178.04 3hqp h LEU 3 N 0.70 0.24 -0.27 -2.39 6.46 -2.06 -1.24 115.31 116.75 3hqp h LEU 3 Ca 0.18 -0.15 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 3hqp h LEU 3 Cb 0.06 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 3hqp h LEU 3 CO -0.03 0.33 -0.03 0.00 -0.62 0.00 0.00 178.44 178.09 3hqp h ALA 4 N 0.92 0.37 -0.72 1.25 0.00 -1.93 -2.78 119.26 116.37 3hqp h ALA 4 Ca 0.06 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.81 3hqp h ALA 4 Cb 0.16 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 3hqp h ALA 4 CO -0.01 0.14 0.37 1.25 0.00 0.00 0.00 179.25 181.01 3hqp h HIS 5 N 0.26 0.67 -0.88 0.00 -0.00 -1.32 -1.65 115.15 112.23 3hqp h HIS 5 Ca 0.07 0.03 0.20 0.00 -0.00 0.00 0.00 60.37 60.67 3hqp h HIS 5 Cb 0.48 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.63 3hqp h HIS 5 CO 0.04 0.27 0.59 -0.91 -0.00 0.00 0.00 177.93 177.92 3hqp h ASN 6 N 0.64 0.36 0.38 3.26 2.35 -0.94 0.78 115.58 122.41 3hqp h ASN 6 Ca 0.34 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 3hqp h ASN 6 Cb 0.33 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3hqp h ASN 6 CO -0.25 0.15 0.00 0.18 -1.65 0.00 0.00 177.43 175.86 3hqp n LEU 7 N -4.49 0.00 -0.00 1.61 4.77 -0.62 -3.05 117.00 115.21 3hqp n LEU 7 Ca 0.19 0.22 0.09 0.00 -0.03 0.00 0.00 56.01 56.48 3hqp n LEU 7 Cb 0.71 -0.22 -0.12 0.00 -2.33 0.00 0.00 43.42 41.45 3hqp n LEU 7 CO 0.32 -0.03 -0.26 0.35 -1.33 0.00 0.00 177.39 176.44 3hqp n THR 8 N -1.22 0.00 -1.81 -5.08 -2.24 0.26 -5.00 114.28 99.19 3hqp n THR 8 Ca 0.14 -0.17 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 3hqp n THR 8 Cb 0.18 0.70 0.04 0.00 -2.10 0.00 0.00 70.33 69.15 3hqp n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hqp s LEU 9 N -3.37 3.37 -0.01 3.22 1.43 -1.17 -5.09 118.68 117.06 3hqp s LEU 9 Ca 0.03 1.86 -0.05 0.00 -1.03 0.00 0.00 54.13 54.94 3hqp s LEU 9 Cb 0.14 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.83 3hqp s LEU 9 CO 0.81 -1.44 0.10 -0.55 0.23 0.00 0.00 176.35 175.50 3hqp s SER 10 N -2.89 0.01 0.53 2.29 0.15 -1.26 -5.03 113.70 107.51 3hqp s SER 10 Ca 0.64 -0.11 0.34 0.00 0.70 0.00 0.00 55.95 57.53 3hqp s SER 10 Cb -0.17 0.20 1.53 0.00 -1.71 0.00 0.00 66.02 65.87 3hqp s SER 10 CO 0.42 -0.25 2.02 0.16 1.20 0.00 0.00 173.24 176.80 3hqp h ILE 11 N 4.56 0.00 -0.16 6.45 3.07 -2.02 -2.67 117.51 126.74 3hqp h ILE 11 Ca -0.29 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 65.76 3hqp h ILE 11 Cb 1.20 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 3hqp h ILE 11 CO 0.41 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.00 3hqp n PHE 12 N -2.96 0.20 -1.73 0.16 3.72 -1.26 -4.94 117.46 110.65 3hqp n PHE 12 Ca 0.00 -0.10 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 3hqp n PHE 12 Cb 0.24 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.76 3hqp n PHE 12 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3hqp n ASP 13 N 0.57 3.64 -4.74 4.37 8.00 -1.01 -4.95 116.55 122.42 3hqp n ASP 13 Ca 0.17 1.14 -0.41 0.00 0.71 0.00 0.00 54.79 56.40 3hqp n ASP 13 Cb 0.40 -1.56 -0.05 0.00 -0.02 0.00 0.00 41.12 39.90 3hqp n ASP 13 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3hqp s PRO 14 N -0.33 4.70 0.82 -0.24 0.04 -1.26 -5.04 135.00 133.70 3hqp s PRO 14 Ca 0.66 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 3hqp s PRO 14 Cb -0.53 -3.28 0.08 0.00 0.04 0.00 0.00 34.50 30.82 3hqp s PRO 14 CO 0.47 0.27 1.11 0.14 0.04 0.00 0.00 177.00 179.03 3hqp s VAL 15 N -0.69 2.79 0.81 -0.36 -7.23 -1.26 -4.99 120.40 109.46 3hqp s VAL 15 Ca 0.45 0.26 -0.11 0.00 -1.81 0.00 0.00 61.98 60.77 3hqp s VAL 15 Cb -0.28 -3.03 0.08 0.00 0.56 0.00 0.00 36.38 33.71 3hqp s VAL 15 CO 0.34 -0.33 1.10 0.00 -0.31 0.00 0.00 175.10 175.90 3hqp s ALA 16 N -3.22 2.03 -2.00 1.32 0.00 -1.26 -4.93 121.76 113.69 3hqp s ALA 16 Ca 0.61 0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.96 3hqp s ALA 16 Cb -0.14 -3.30 0.50 0.00 0.00 0.00 0.00 23.12 20.18 3hqp s ALA 16 CO 0.54 -2.02 1.32 0.27 0.00 0.00 0.00 175.76 175.86 3hqp n ASN 17 N -3.70 0.03 -3.73 0.00 2.04 -1.26 -4.79 115.26 103.85 3hqp n ASN 17 Ca 0.09 -1.74 -0.13 0.00 -0.44 0.00 0.00 54.58 52.36 3hqp n ASN 17 Cb 0.53 -0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.68 3hqp n ASN 17 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 3hqp s TYR 18 N -1.99 -0.44 -0.23 -2.53 -0.85 -1.26 -5.04 117.35 105.00 3hqp s TYR 18 Ca 0.13 1.06 -0.13 0.00 -0.52 0.00 0.00 57.07 57.60 3hqp s TYR 18 Cb 0.06 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 3hqp s TYR 18 CO 0.10 -0.24 0.30 0.50 -1.52 0.00 0.00 175.55 174.69 3hqp s ARG 19 N 0.09 4.09 -0.07 -3.49 3.52 -1.26 -5.00 118.95 116.83 3hqp s ARG 19 Ca -0.01 -0.03 -0.20 0.00 -0.13 0.00 0.00 55.73 55.36 3hqp s ARG 19 Cb -0.03 -3.57 -0.30 0.00 -1.56 0.00 0.00 34.95 29.49 3hqp s ARG 19 CO 0.01 -0.07 0.77 0.00 -0.81 0.00 0.00 175.30 175.21 3hqp h ALA 20 N 7.66 -0.00 -2.59 6.12 0.00 -1.95 -3.44 119.26 125.06 3hqp h ALA 20 Ca -0.36 -0.83 -0.51 0.00 0.00 0.00 0.00 54.91 53.21 3hqp h ALA 20 Cb 1.17 0.23 0.10 0.00 0.00 0.00 0.00 17.79 19.29 3hqp h ALA 20 CO 0.67 0.52 0.41 0.00 0.00 0.00 0.00 179.25 180.85 3hqp s ALA 21 N -2.44 2.52 -0.02 0.00 0.00 -1.26 0.07 121.76 120.63 3hqp s ALA 21 Ca -0.16 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.59 3hqp s ALA 21 Cb 0.02 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3hqp s ALA 21 CO 0.81 -1.14 -0.12 1.03 0.00 0.00 0.00 175.76 176.33 3hqp s ARG 22 N -3.67 2.46 -0.18 0.00 1.81 -0.65 -4.89 118.95 113.82 3hqp s ARG 22 Ca 0.71 -0.74 -0.05 0.00 -1.72 0.00 0.00 55.73 53.93 3hqp s ARG 22 Cb -0.24 -2.39 -0.03 0.00 -0.45 0.00 0.00 34.95 31.84 3hqp s ARG 22 CO 0.35 0.61 0.01 0.42 -0.68 0.00 0.00 175.30 176.01 3hqp s ILE 23 N -0.83 4.17 -0.16 1.52 1.01 -1.26 -1.59 121.20 124.05 3hqp s ILE 23 Ca 0.13 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.48 3hqp s ILE 23 Cb -0.11 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3hqp s ILE 23 CO 0.03 0.45 0.03 -0.63 0.00 0.00 0.00 174.94 174.82 3hqp s ILE 24 N 0.68 4.50 -0.11 2.92 1.01 -0.47 -1.04 121.20 128.69 3hqp s ILE 24 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.54 3hqp s ILE 24 Cb -0.14 -3.00 -0.00 0.00 0.01 0.00 0.00 42.46 39.33 3hqp s ILE 24 CO 0.02 0.49 -0.22 0.00 0.00 0.00 0.00 174.94 175.23 3hqp s THR 26 N 0.39 4.79 -0.22 0.00 2.01 -0.60 0.09 115.64 122.12 3hqp s THR 26 Ca -0.16 2.04 -0.16 0.00 0.31 0.00 0.00 61.69 63.72 3hqp s THR 26 Cb -0.17 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 3hqp s THR 26 CO 0.07 0.02 0.41 -0.63 -0.69 0.00 0.00 174.62 173.81 3hqp s ILE 27 N 1.90 5.18 0.00 1.82 -1.09 -0.17 -2.96 121.20 125.87 3hqp s ILE 27 Ca 0.49 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 3hqp s ILE 27 Cb -0.19 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 3hqp s ILE 27 CO 0.19 0.21 0.00 0.61 -1.23 0.00 0.00 174.94 174.72 3hqp n GLY 28 N 4.12 4.24 0.32 6.18 0.00 -1.24 -4.75 105.19 114.06 3hqp n GLY 28 Ca -0.08 -1.43 0.19 0.00 0.00 0.00 0.00 46.02 44.71 3hqp n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqp h PRO 29 N 0.00 0.17 0.00 1.61 0.11 -1.75 0.21 132.00 132.36 3hqp h PRO 29 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 3hqp h PRO 29 Cb 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 3hqp h PRO 29 CO 0.00 0.11 -0.08 0.77 -0.21 0.00 0.00 178.00 178.59 3hqp h SER 30 N 0.18 0.00 0.00 -2.05 0.02 -1.62 -3.35 113.55 106.73 3hqp h SER 30 Ca 0.66 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.58 3hqp h SER 30 Cb 1.47 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.95 3hqp h SER 30 CO -0.70 0.08 -0.46 0.35 -1.14 0.00 0.00 176.83 174.97 3hqp n THR 31 N -3.28 0.64 0.02 -2.27 -2.24 0.65 -4.83 114.28 102.98 3hqp n THR 31 Ca -0.00 -0.97 -0.06 0.00 -2.27 0.00 0.00 64.05 60.74 3hqp n THR 31 Cb 0.30 0.33 -0.11 0.00 -2.10 0.00 0.00 70.33 68.75 3hqp n THR 31 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3hqp h GLN 32 N 0.23 0.00 -6.97 -0.78 4.15 -1.44 -3.38 115.11 106.91 3hqp h GLN 32 Ca -0.04 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.85 3hqp h GLN 32 Cb 1.35 0.00 0.10 0.00 0.21 0.00 0.00 27.48 29.13 3hqp h GLN 32 CO 0.02 0.60 0.62 -1.54 -1.93 0.00 0.00 178.83 176.60 3hqp s SER 33 N -6.24 6.06 0.48 -0.69 1.04 -1.26 -4.82 113.70 108.27 3hqp s SER 33 Ca -0.02 2.70 0.19 0.00 0.48 0.00 0.00 55.95 59.30 3hqp s SER 33 Cb 0.09 -2.64 1.22 0.00 0.10 0.00 0.00 66.02 64.78 3hqp s SER 33 CO 0.82 -1.03 2.00 -0.37 0.98 0.00 0.00 173.24 175.64 3hqp h VAL 34 N 2.24 0.83 -0.27 5.02 -1.51 -1.90 0.03 116.25 120.70 3hqp h VAL 34 Ca -0.50 -0.06 -0.08 0.00 -1.23 0.00 0.00 66.70 64.82 3hqp h VAL 34 Cb 1.26 0.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 3hqp h VAL 34 CO 0.61 0.03 -0.16 -0.08 -1.23 0.00 0.00 177.57 176.75 3hqp h GLU 35 N 0.19 0.58 -0.80 5.19 4.57 -1.94 0.36 114.58 122.72 3hqp h GLU 35 Ca 0.24 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3hqp h GLU 35 Cb 0.70 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.24 3hqp h GLU 35 CO -0.04 0.84 0.46 0.00 -1.18 0.00 0.00 179.01 179.10 3hqp h ALA 36 N 0.72 1.31 -0.32 2.92 0.00 -1.59 -1.60 119.26 120.70 3hqp h ALA 36 Ca 0.06 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 3hqp h ALA 36 Cb 0.69 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hqp h ALA 36 CO 0.05 0.58 -0.48 -0.07 0.00 0.00 0.00 179.25 179.33 3hqp h LEU 37 N 1.11 0.97 -0.95 0.00 3.38 -0.74 -0.88 115.31 118.21 3hqp h LEU 37 Ca 0.29 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.79 3hqp h LEU 37 Cb -0.02 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.40 3hqp h LEU 37 CO -0.05 1.30 0.62 0.11 0.09 0.00 0.00 178.44 180.50 3hqp h LYS 38 N 0.68 1.13 -0.50 1.13 1.57 -0.15 -0.86 116.57 119.58 3hqp h LYS 38 Ca 0.03 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3hqp h LYS 38 Cb 1.09 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 3hqp h LYS 38 CO 0.11 0.75 0.28 0.78 -0.57 0.00 0.00 179.45 180.80 3hqp h GLY 39 N 1.17 0.70 1.02 3.86 0.00 -0.95 -1.97 103.07 106.90 3hqp h GLY 39 Ca 0.39 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 3hqp h GLY 39 CO -0.14 0.16 0.20 1.41 0.00 0.00 0.00 176.54 178.17 3hqp h LEU 40 N 0.55 0.95 -0.24 3.11 4.07 -0.60 -0.14 115.31 123.00 3hqp h LEU 40 Ca 0.21 -0.21 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 3hqp h LEU 40 Cb 0.06 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 3hqp h LEU 40 CO -0.11 0.91 0.06 0.40 -1.08 0.00 0.00 178.44 178.61 3hqp h ILE 41 N 0.94 1.21 0.00 1.22 2.04 -1.04 0.15 117.51 122.03 3hqp h ILE 41 Ca 0.21 -0.70 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 3hqp h ILE 41 Cb 0.30 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3hqp h ILE 41 CO -0.01 0.22 -0.36 1.56 0.00 0.00 0.00 178.15 179.56 3hqp h GLN 42 N 0.21 0.00 0.00 2.37 4.20 -1.28 -2.22 115.11 118.39 3hqp h GLN 42 Ca 0.08 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 3hqp h GLN 42 Cb 0.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3hqp h GLN 42 CO 0.00 0.36 -0.59 0.77 -0.67 0.00 0.00 178.83 178.71 3hqp h SER 43 N 0.00 0.00 0.00 1.46 0.02 -0.72 -3.47 113.55 110.84 3hqp h SER 43 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hqp h SER 43 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3hqp h SER 43 CO 0.05 0.59 0.00 0.61 -1.14 0.00 0.00 176.83 176.94 3hqp n GLY 44 N 0.83 0.27 3.71 -3.77 0.00 -0.25 -4.04 105.19 101.93 3hqp n GLY 44 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hqp n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hqp s MET 45 N 0.00 4.47 -0.07 1.61 -2.45 0.36 -4.32 119.30 118.89 3hqp s MET 45 Ca 0.00 1.66 0.13 0.00 -1.25 0.00 0.00 55.69 56.23 3hqp s MET 45 Cb 0.00 -3.38 -0.19 0.00 1.25 0.00 0.00 34.83 32.51 3hqp s MET 45 CO 0.00 -0.19 0.17 0.43 1.05 0.00 0.00 175.02 176.48 3hqp n SER 46 N 3.90 1.80 -3.78 1.11 7.64 -0.21 -4.61 113.62 119.48 3hqp n SER 46 Ca 0.08 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.74 3hqp n SER 46 Cb 0.48 1.22 -0.17 0.00 -1.01 0.00 0.00 64.21 64.73 3hqp n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hqp s VAL 47 N -2.64 0.31 -0.27 0.44 1.01 -1.14 -2.60 120.40 115.52 3hqp s VAL 47 Ca -0.06 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 3hqp s VAL 47 Cb 0.06 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 3hqp s VAL 47 CO 0.56 0.23 0.54 0.00 0.00 0.00 0.00 175.10 176.42 3hqp s ALA 48 N 1.75 3.58 -0.22 5.51 0.00 -0.41 -1.03 121.76 130.94 3hqp s ALA 48 Ca 0.01 -0.61 -0.10 0.00 0.00 0.00 0.00 51.96 51.26 3hqp s ALA 48 Cb -0.13 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 3hqp s ALA 48 CO -0.04 -0.80 0.15 0.50 0.00 0.00 0.00 175.76 175.57 3hqp s ARG 49 N 2.36 4.14 -0.24 0.00 3.52 0.11 -1.39 118.95 127.45 3hqp s ARG 49 Ca 0.22 -0.23 -0.07 0.00 -0.13 0.00 0.00 55.73 55.52 3hqp s ARG 49 Cb -0.16 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 3hqp s ARG 49 CO 0.09 0.20 0.05 -1.64 -0.81 0.00 0.00 175.30 173.20 3hqp s MET 50 N 0.64 3.61 -0.44 5.12 -1.94 -0.11 -1.00 119.30 125.18 3hqp s MET 50 Ca 0.08 -0.50 -0.19 0.00 -1.71 0.00 0.00 55.69 53.37 3hqp s MET 50 Cb -0.12 -3.26 0.03 0.00 2.01 0.00 0.00 34.83 33.49 3hqp s MET 50 CO 0.01 -0.18 0.55 1.21 -0.01 0.00 0.00 175.02 176.60 3hqp s ASN 51 N 1.55 6.25 0.00 3.03 3.84 -1.26 -0.27 114.94 128.08 3hqp s ASN 51 Ca 0.06 -0.59 0.29 0.00 0.21 0.00 0.00 52.86 52.84 3hqp s ASN 51 Cb -0.15 -2.27 1.68 0.00 -0.55 0.00 0.00 41.25 39.96 3hqp s ASN 51 CO 0.02 -0.72 2.07 0.49 -2.79 0.00 0.00 177.10 176.18 3hqp n PHE 52 N 5.96 0.00 0.31 0.43 3.01 0.30 -1.83 117.46 125.63 3hqp n PHE 52 Ca -0.05 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.58 3hqp n PHE 52 Cb 0.47 -0.07 0.69 0.00 -0.01 0.00 0.00 39.48 40.55 3hqp n PHE 52 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3hqp h SER 53 N 0.00 0.00 -3.25 4.37 0.02 -1.81 -3.43 113.55 109.45 3hqp h SER 53 Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 3hqp h SER 53 Cb 0.07 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.46 3hqp h SER 53 CO 0.00 0.00 -0.74 -1.00 -1.14 0.00 0.00 176.83 173.95 3hqp s HIS 54 N -3.63 1.72 0.00 3.45 3.76 -0.76 -5.03 115.29 114.80 3hqp s HIS 54 Ca 0.01 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 3hqp s HIS 54 Cb 0.09 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.98 3hqp s HIS 54 CO 0.49 0.35 0.00 0.41 -0.85 0.00 0.00 174.74 175.15 3hqp n GLY 55 N -0.29 0.53 3.75 -2.22 0.00 -1.26 -4.83 105.19 100.87 3hqp n GLY 55 Ca -0.09 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 3hqp n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hqp s SER 56 N -4.00 0.06 0.23 1.61 1.04 -1.26 -4.99 113.70 106.39 3hqp s SER 56 Ca 0.00 -1.03 -0.07 0.00 0.48 0.00 0.00 55.95 55.33 3hqp s SER 56 Cb 0.00 0.76 0.33 0.00 0.10 0.00 0.00 66.02 67.21 3hqp s SER 56 CO 0.00 -1.48 1.80 0.45 0.98 0.00 0.00 173.24 174.99 3hqp h HIS 57 N 2.05 0.74 -0.65 5.02 -0.00 -1.98 0.12 115.15 120.44 3hqp h HIS 57 Ca -0.27 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.09 3hqp h HIS 57 Cb 1.25 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 28.41 3hqp h HIS 57 CO 1.03 0.31 0.28 1.49 -0.00 0.00 0.00 177.93 181.04 3hqp h GLU 58 N 0.71 0.96 -0.28 2.45 4.81 -1.99 0.56 114.58 121.80 3hqp h GLU 58 Ca 0.35 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3hqp h GLU 58 Cb 0.31 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3hqp h GLU 58 CO -0.23 0.80 -0.02 -0.92 -0.73 0.00 0.00 179.01 177.90 3hqp h TYR 59 N 0.91 0.57 0.00 0.92 3.20 -1.70 -3.02 116.97 117.85 3hqp h TYR 59 Ca 0.22 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3hqp h TYR 59 Cb 0.18 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 3hqp h TYR 59 CO 0.01 0.68 -0.15 0.45 -1.64 0.00 0.00 178.16 177.51 3hqp h HIS 60 N 0.29 0.00 -0.36 -3.82 3.86 -0.60 -2.71 115.15 111.82 3hqp h HIS 60 Ca 0.08 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.23 3hqp h HIS 60 Cb 0.47 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3hqp h HIS 60 CO 0.04 0.15 -0.00 0.37 0.86 0.00 0.00 177.93 179.36 3hqp h GLN 61 N 0.00 0.63 -0.36 2.45 5.75 -0.83 -1.97 115.11 120.77 3hqp h GLN 61 Ca -0.00 -0.20 0.07 0.00 -0.15 0.00 0.00 58.65 58.36 3hqp h GLN 61 Cb 0.74 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.17 3hqp h GLN 61 CO 0.02 0.74 -0.02 1.15 -2.65 0.00 0.00 178.83 178.07 3hqp h THR 62 N 0.44 0.71 -0.48 2.39 2.02 -1.36 -0.33 112.91 116.30 3hqp h THR 62 Ca 0.10 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.34 3hqp h THR 62 Cb 0.46 0.63 -0.07 0.00 -1.74 0.00 0.00 68.15 67.43 3hqp h THR 62 CO 0.02 0.01 0.09 0.74 0.37 0.00 0.00 175.52 176.75 3hqp h THR 63 N 0.07 0.73 -0.56 3.16 2.02 -1.43 0.23 112.91 117.14 3hqp h THR 63 Ca 0.17 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.32 3hqp h THR 63 Cb 0.25 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 3hqp h THR 63 CO -0.31 0.04 0.30 0.40 0.37 0.00 0.00 175.52 176.32 3hqp h ILE 64 N 0.22 0.98 -0.26 3.11 2.04 -0.56 0.21 117.51 123.26 3hqp h ILE 64 Ca 0.24 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 3hqp h ILE 64 Cb 0.31 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3hqp h ILE 64 CO -0.32 0.11 -0.16 0.78 0.00 0.00 0.00 178.15 178.56 3hqp h ASN 65 N 0.59 0.60 0.04 1.72 2.35 -0.49 -2.58 115.58 117.81 3hqp h ASN 65 Ca 0.24 -0.43 -0.07 0.00 -0.55 0.00 0.00 56.30 55.49 3hqp h ASN 65 Cb 0.12 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3hqp h ASN 65 CO -0.15 0.90 -0.22 0.78 -1.65 0.00 0.00 177.43 177.09 3hqp h ASN 66 N 0.30 0.31 0.04 5.81 4.21 -0.23 -1.23 115.58 124.78 3hqp h ASN 66 Ca 0.05 -0.09 -0.00 0.00 1.21 0.00 0.00 56.30 57.47 3hqp h ASN 66 Cb 0.69 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 3hqp h ASN 66 CO 0.05 0.54 -0.02 0.58 -1.29 0.00 0.00 177.43 177.29 3hqp h VAL 67 N 0.29 1.19 -1.00 2.81 2.07 -0.55 -0.93 116.25 120.12 3hqp h VAL 67 Ca 0.05 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.83 3hqp h VAL 67 Cb 0.55 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 3hqp h VAL 67 CO 0.04 0.19 0.66 0.03 0.02 0.00 0.00 177.57 178.51 3hqp h ARG 68 N -0.38 1.31 -0.29 1.57 3.08 -1.35 0.23 114.38 118.55 3hqp h ARG 68 Ca -0.01 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 3hqp h ARG 68 Cb 0.35 -0.30 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3hqp h ARG 68 CO 0.01 0.87 -0.41 0.37 -1.07 0.00 0.00 179.97 179.74 3hqp h GLN 69 N 1.35 0.78 -0.23 0.04 4.15 -1.21 -0.06 115.11 119.93 3hqp h GLN 69 Ca 0.37 -0.46 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 3hqp h GLN 69 Cb -0.14 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3hqp h GLN 69 CO -0.08 1.09 0.06 0.00 -1.93 0.00 0.00 178.83 177.96 3hqp h ALA 70 N 0.68 0.30 -0.50 3.38 0.00 -0.89 -1.48 119.26 120.75 3hqp h ALA 70 Ca 0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3hqp h ALA 70 Cb 1.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3hqp h ALA 70 CO 0.09 -0.06 0.01 0.00 0.00 0.00 0.00 179.25 179.30 3hqp h ALA 71 N 0.88 1.07 -0.47 0.00 0.00 -0.98 -2.71 119.26 117.04 3hqp h ALA 71 Ca 0.07 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3hqp h ALA 71 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hqp h ALA 71 CO -0.00 0.59 0.06 0.00 0.00 0.00 0.00 179.25 179.90 3hqp h ALA 72 N 1.23 0.62 0.00 0.00 0.00 -0.93 -1.00 119.26 119.19 3hqp h ALA 72 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hqp h ALA 72 Cb 0.46 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hqp h ALA 72 CO 0.02 0.37 0.00 0.93 0.00 0.00 0.00 179.25 180.56 3hqp h GLU 73 N 0.65 0.00 -0.29 0.00 5.08 -1.12 -2.64 114.58 116.25 3hqp h GLU 73 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3hqp h GLU 73 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3hqp h GLU 73 CO 0.01 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.30 3hqp n LEU 74 N -2.69 2.77 -3.81 1.33 4.77 -1.01 -5.00 117.00 113.36 3hqp n LEU 74 Ca 0.00 -1.85 -0.25 0.00 -0.03 0.00 0.00 56.01 53.88 3hqp n LEU 74 Cb 0.20 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3hqp n LEU 74 CO 0.21 0.67 -0.02 0.61 -1.33 0.00 0.00 177.39 177.54 3hqp n GLY 75 N 0.52 -0.36 3.14 -0.72 0.00 -0.76 -5.00 105.19 102.01 3hqp n GLY 75 Ca 0.11 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 3hqp n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqp s VAL 76 N -3.56 0.46 -0.27 1.61 -7.23 -0.45 -5.05 120.40 105.90 3hqp s VAL 76 Ca 0.25 -1.89 -0.06 0.00 -1.81 0.00 0.00 61.98 58.47 3hqp s VAL 76 Cb -0.12 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.14 3hqp s VAL 76 CO 0.83 -0.87 0.04 0.20 -0.31 0.00 0.00 175.10 174.99 3hqp s ASN 77 N -3.00 4.91 -0.17 4.85 0.01 -1.26 -4.37 114.94 115.91 3hqp s ASN 77 Ca 0.12 -0.60 -0.02 0.00 -0.71 0.00 0.00 52.86 51.65 3hqp s ASN 77 Cb 0.07 -1.84 -0.01 0.00 0.41 0.00 0.00 41.25 39.87 3hqp s ASN 77 CO -0.06 -0.13 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.68 3hqp s ILE 78 N 1.50 3.25 0.38 0.60 -1.09 -1.26 -4.74 121.20 119.82 3hqp s ILE 78 Ca 0.03 -0.57 -0.27 0.00 -2.23 0.00 0.00 60.65 57.62 3hqp s ILE 78 Cb -0.16 -2.41 -0.09 0.00 -1.58 0.00 0.00 42.46 38.21 3hqp s ILE 78 CO 0.01 0.49 1.27 0.00 -1.23 0.00 0.00 174.94 175.47 3hqp s ALA 79 N 0.77 3.31 -0.16 9.38 0.00 -1.07 -4.89 121.76 129.10 3hqp s ALA 79 Ca -0.04 1.17 -0.03 0.00 0.00 0.00 0.00 51.96 53.07 3hqp s ALA 79 Cb -0.15 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 3hqp s ALA 79 CO 0.01 -0.69 -0.05 0.42 0.00 0.00 0.00 175.76 175.46 3hqp s ILE 80 N -1.25 3.71 -0.11 0.00 1.01 -1.26 -1.29 121.20 122.00 3hqp s ILE 80 Ca 0.54 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.80 3hqp s ILE 80 Cb -0.37 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.48 3hqp s ILE 80 CO 0.48 0.49 -0.22 0.00 0.00 0.00 0.00 174.94 175.68 3hqp s ALA 81 N 0.49 2.25 -0.30 9.38 0.00 -0.49 -1.48 121.76 131.61 3hqp s ALA 81 Ca -0.04 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.79 3hqp s ALA 81 Cb -0.15 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 3hqp s ALA 81 CO 0.03 0.25 0.38 -1.17 0.00 0.00 0.00 175.76 175.25 3hqp s LEU 82 N 0.39 4.17 -0.35 0.00 0.20 -0.58 -0.93 118.68 121.58 3hqp s LEU 82 Ca -0.17 0.12 -0.13 0.00 0.69 0.00 0.00 54.13 54.64 3hqp s LEU 82 Cb -0.17 -2.42 -0.01 0.00 -0.43 0.00 0.00 46.19 43.15 3hqp s LEU 82 CO 0.07 -0.25 0.27 -0.62 -0.29 0.00 0.00 176.35 175.53 3hqp s ASP 83 N 1.68 6.08 0.82 3.68 -1.08 0.62 -0.50 116.67 127.97 3hqp s ASP 83 Ca 0.14 -0.42 -0.12 0.00 -0.52 0.00 0.00 52.55 51.63 3hqp s ASP 83 Cb -0.16 -2.15 0.08 0.00 -1.46 0.00 0.00 42.92 39.23 3hqp s ASP 83 CO 0.11 -0.27 1.11 0.42 0.52 0.00 0.00 175.17 177.06 3hqp s THR 84 N 1.77 2.75 0.01 1.71 -4.23 -0.71 -0.54 115.64 116.40 3hqp s THR 84 Ca 0.07 0.24 -0.25 0.00 -1.18 0.00 0.00 61.69 60.57 3hqp s THR 84 Cb -0.17 -3.04 -0.18 0.00 1.34 0.00 0.00 72.50 70.45 3hqp s THR 84 CO 0.11 -0.32 1.32 0.11 -0.54 0.00 0.00 174.62 175.30 3hqp h LYS 85 N -1.14 -0.17 0.00 3.99 1.57 -1.92 -3.40 116.57 115.50 3hqp h LYS 85 Ca -0.48 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.45 3hqp h LYS 85 Cb 1.29 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 3hqp h LYS 85 CO 0.61 0.16 -0.18 0.41 -0.57 0.00 0.00 179.45 179.88 3hqp n GLY 86 N -0.21 -1.70 3.57 3.86 0.00 -1.26 -4.33 105.19 105.12 3hqp n GLY 86 Ca -0.09 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 3hqp n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hqp s PRO 87 N -0.95 3.01 0.18 1.61 0.04 -1.26 -4.91 135.00 132.72 3hqp s PRO 87 Ca 0.00 -1.10 0.07 0.00 0.04 0.00 0.00 61.00 60.01 3hqp s PRO 87 Cb 0.00 -5.28 -0.04 0.00 0.04 0.00 0.00 34.50 29.22 3hqp s PRO 87 CO 0.00 -3.16 -0.14 -1.83 0.04 0.00 0.00 177.00 171.91 3hqp s GLU 88 N 5.89 1.22 -0.08 4.56 -1.05 -1.26 -4.98 118.70 123.00 3hqp s GLU 88 Ca 0.62 -1.48 0.00 0.00 -0.15 0.00 0.00 54.97 53.96 3hqp s GLU 88 Cb -0.01 -1.02 -0.03 0.00 -0.44 0.00 0.00 34.13 32.63 3hqp s GLU 88 CO 0.04 0.17 -0.07 0.42 0.95 0.00 0.00 175.26 176.77 3hqp s ILE 89 N -2.78 3.65 0.04 1.83 1.01 -1.26 -4.96 121.20 118.73 3hqp s ILE 89 Ca 0.18 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.37 3hqp s ILE 89 Cb -0.01 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 3hqp s ILE 89 CO 0.05 0.58 -0.09 -0.13 0.00 0.00 0.00 174.94 175.35 3hqp s ARG 90 N -0.54 0.60 0.95 2.79 1.81 -1.26 -1.19 118.95 122.10 3hqp s ARG 90 Ca 0.08 -0.73 -0.12 0.00 -1.72 0.00 0.00 55.73 53.24 3hqp s ARG 90 Cb -0.12 -0.45 0.16 0.00 -0.45 0.00 0.00 34.95 34.09 3hqp s ARG 90 CO 0.02 0.09 1.11 0.95 -0.68 0.00 0.00 175.30 176.80 3hqp s THR 91 N -1.18 2.10 0.00 0.02 -4.23 -0.19 -1.19 115.64 110.97 3hqp s THR 91 Ca -0.06 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.48 3hqp s THR 91 Cb -0.09 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.11 3hqp s THR 91 CO 0.01 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3hqp n GLY 92 N -1.62 1.01 4.00 3.99 0.00 0.05 -3.94 105.19 108.69 3hqp n GLY 92 Ca 0.06 -1.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.17 3hqp n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hqp s GLN 93 N 1.65 2.92 -0.00 1.61 -0.21 0.16 -2.08 119.66 123.70 3hqp s GLN 93 Ca 0.00 -1.16 0.05 0.00 0.02 0.00 0.00 55.36 54.27 3hqp s GLN 93 Cb 0.00 -2.77 -0.01 0.00 1.00 0.00 0.00 33.01 31.22 3hqp s GLN 93 CO 0.00 -0.17 -0.17 -0.06 -2.12 0.00 0.00 175.29 172.76 3hqp s PHE 94 N -2.30 1.54 0.05 0.91 0.08 -1.26 -1.67 117.98 115.32 3hqp s PHE 94 Ca 0.52 -0.30 -0.31 0.00 0.12 0.00 0.00 56.93 56.96 3hqp s PHE 94 Cb -0.10 -0.98 -0.08 0.00 -0.57 0.00 0.00 43.02 41.30 3hqp s PHE 94 CO 0.33 -0.01 1.60 0.54 -0.10 0.00 0.00 175.22 177.58 3hqp s VAL 95 N -0.46 3.20 0.00 -0.44 0.11 -0.17 -1.53 120.40 121.10 3hqp s VAL 95 Ca 0.06 0.62 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 3hqp s VAL 95 Cb -0.07 -3.40 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 3hqp s VAL 95 CO -0.00 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.37 3hqp n GLY 96 N 3.93 0.97 0.00 6.54 0.00 -1.26 -4.25 105.19 111.13 3hqp n GLY 96 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3hqp n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqp n GLY 97 N -2.00 0.16 3.74 -0.02 0.00 -0.59 -5.04 105.19 101.44 3hqp n GLY 97 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3hqp n GLY 97 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hqp s ASP 98 N -1.98 -0.28 -0.03 1.61 3.84 -1.26 -3.11 116.67 115.47 3hqp s ASP 98 Ca 0.00 -0.41 0.03 0.00 -0.00 0.00 0.00 52.55 52.17 3hqp s ASP 98 Cb 0.00 0.60 0.00 0.00 -1.38 0.00 0.00 42.92 42.14 3hqp s ASP 98 CO 0.00 -1.08 -0.10 0.00 -0.00 0.00 0.00 175.17 173.99 3hqp s ALA 99 N -3.60 0.97 -0.63 2.11 0.00 0.35 -4.68 121.76 116.28 3hqp s ALA 99 Ca 0.10 -0.38 -0.19 0.00 0.00 0.00 0.00 51.96 51.49 3hqp s ALA 99 Cb -0.03 -0.35 0.11 0.00 0.00 0.00 0.00 23.12 22.85 3hqp s ALA 99 CO 0.01 0.16 0.74 0.08 0.00 0.00 0.00 175.76 176.75 3hqp s VAL 100 N 0.18 4.87 -0.23 0.00 1.01 -1.26 -1.38 120.40 123.59 3hqp s VAL 100 Ca -0.03 -1.14 -0.24 0.00 0.00 0.00 0.00 61.98 60.56 3hqp s VAL 100 Cb -0.09 -4.51 -0.01 0.00 0.00 0.00 0.00 36.38 31.77 3hqp s VAL 100 CO 0.01 -1.15 0.82 -0.04 0.00 0.00 0.00 175.10 174.74 3hqp s MET 101 N 2.51 4.21 -0.20 2.72 -1.94 -0.35 -4.89 119.30 121.36 3hqp s MET 101 Ca 0.13 0.94 -0.08 0.00 -1.71 0.00 0.00 55.69 54.97 3hqp s MET 101 Cb -0.22 -3.63 -0.04 0.00 2.01 0.00 0.00 34.83 32.95 3hqp s MET 101 CO 0.04 -0.47 0.08 -1.21 -0.01 0.00 0.00 175.02 173.46 3hqp s GLU 102 N 2.66 4.01 0.06 2.03 2.02 -1.26 -1.62 118.70 126.60 3hqp s GLU 102 Ca 0.35 -0.32 -0.38 0.00 0.02 0.00 0.00 54.97 54.64 3hqp s GLU 102 Cb -0.16 -3.29 -0.18 0.00 0.10 0.00 0.00 34.13 30.60 3hqp s GLU 102 CO 0.08 0.23 1.21 -2.13 0.02 0.00 0.00 175.26 174.67 3hqp n ARG 103 N 3.69 0.68 0.00 1.61 0.63 -1.26 -1.10 116.66 120.91 3hqp n ARG 103 Ca -0.16 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 3hqp n ARG 103 Cb 0.52 -1.81 0.00 0.00 0.45 0.00 0.00 32.46 31.62 3hqp n ARG 103 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hqp n GLY 104 N 2.08 2.24 3.81 5.14 0.00 0.12 -4.95 105.19 113.64 3hqp n GLY 104 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3hqp n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqp s ALA 105 N -2.29 2.77 -0.23 4.61 0.00 -0.26 -4.73 121.76 121.63 3hqp s ALA 105 Ca 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 3hqp s ALA 105 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 3hqp s ALA 105 CO 0.00 -0.82 0.20 0.99 0.00 0.00 0.00 175.76 176.13 3hqp s THR 106 N -2.59 5.34 0.37 0.00 2.01 -1.26 -0.18 115.64 119.32 3hqp s THR 106 Ca 0.62 0.27 0.06 0.00 0.31 0.00 0.00 61.69 62.95 3hqp s THR 106 Cb -0.15 -3.54 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 3hqp s THR 106 CO 0.40 0.34 0.01 0.00 -0.69 0.00 0.00 174.62 174.67 3hqp s TYR 108 N -2.90 2.17 -0.16 0.00 2.02 0.13 -0.82 117.35 117.79 3hqp s TYR 108 Ca 0.35 -0.95 -0.07 0.00 -0.37 0.00 0.00 57.07 56.03 3hqp s TYR 108 Cb 0.09 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3hqp s TYR 108 CO 0.17 -0.43 0.08 0.14 -1.57 0.00 0.00 175.55 173.93 3hqp s VAL 109 N 0.66 4.96 0.13 0.71 -7.23 -0.36 -1.46 120.40 117.81 3hqp s VAL 109 Ca -0.13 0.02 0.07 0.00 -1.81 0.00 0.00 61.98 60.13 3hqp s VAL 109 Cb -0.16 -3.20 -0.04 0.00 0.56 0.00 0.00 36.38 33.54 3hqp s VAL 109 CO 0.03 0.52 -0.18 0.28 -0.31 0.00 0.00 175.10 175.44 3hqp s THR 110 N -0.15 1.59 -2.30 5.32 -1.32 -0.59 -0.16 115.64 118.03 3hqp s THR 110 Ca 0.08 -1.69 0.21 0.00 -1.21 0.00 0.00 61.69 59.08 3hqp s THR 110 Cb -0.12 -1.60 0.10 0.00 -1.51 0.00 0.00 72.50 69.37 3hqp s THR 110 CO 0.01 -0.26 1.09 0.35 -2.21 0.00 0.00 174.62 173.61 3hqp n THR 111 N 0.70 0.00 -1.84 5.08 -2.24 -0.28 -0.57 114.28 115.13 3hqp n THR 111 Ca -0.16 -0.42 -0.43 0.00 -2.27 0.00 0.00 64.05 60.77 3hqp n THR 111 Cb 0.56 1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 70.11 3hqp n THR 111 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hqp s ASP 112 N -1.95 6.12 0.00 3.42 3.68 -1.26 -4.88 116.67 121.80 3hqp s ASP 112 Ca 0.21 1.98 0.24 0.00 2.13 0.00 0.00 52.55 57.11 3hqp s ASP 112 Cb 0.17 -2.53 1.40 0.00 -1.45 0.00 0.00 42.92 40.51 3hqp s ASP 112 CO 0.36 -1.42 1.79 -0.81 0.13 0.00 0.00 175.17 175.22 3hqp n PRO 113 N 7.96 0.70 0.01 4.34 -0.04 -1.26 -2.43 135.00 144.28 3hqp n PRO 113 Ca 0.22 0.01 0.06 0.00 -0.04 0.00 0.00 63.50 63.75 3hqp n PRO 113 Cb 0.44 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.68 3hqp n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hqp n ALA 114 N -1.03 1.55 0.68 0.55 0.00 -1.26 -2.75 120.51 118.26 3hqp n ALA 114 Ca 0.17 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.66 3hqp n ALA 114 Cb 0.09 -1.21 0.06 0.00 0.00 0.00 0.00 19.45 18.40 3hqp n ALA 114 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hqp n PHE 115 N -1.55 0.00 0.15 0.00 3.01 -1.02 -4.60 117.46 113.46 3hqp n PHE 115 Ca 0.03 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.64 3hqp n PHE 115 Cb 0.15 0.00 0.72 0.00 -0.01 0.00 0.00 39.48 40.34 3hqp n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hqp h ALA 116 N 3.17 2.11 0.00 4.37 0.00 -1.71 -2.81 119.26 124.38 3hqp h ALA 116 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hqp h ALA 116 Cb 0.67 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 3hqp h ALA 116 CO 0.00 -0.31 -0.48 -0.25 0.00 0.00 0.00 179.25 178.21 3hqp n ASP 117 N -4.26 1.60 -2.22 0.00 8.00 -1.26 0.40 116.55 118.80 3hqp n ASP 117 Ca 0.03 -3.23 -0.02 0.00 0.71 0.00 0.00 54.79 52.29 3hqp n ASP 117 Cb 0.34 -0.44 0.05 0.00 -0.02 0.00 0.00 41.12 41.05 3hqp n ASP 117 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3hqp n LYS 118 N -0.82 1.01 -2.46 -1.24 2.85 -1.07 -4.85 118.16 111.57 3hqp n LYS 118 Ca 0.14 -1.91 -0.36 0.00 -1.05 0.00 0.00 58.31 55.14 3hqp n LYS 118 Cb 0.76 -0.18 -0.03 0.00 -0.65 0.00 0.00 35.03 34.93 3hqp n LYS 118 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3hqp s GLY 119 N -1.96 2.68 0.31 2.58 0.00 -0.67 -4.76 107.32 105.50 3hqp s GLY 119 Ca 0.16 0.74 0.06 0.00 0.00 0.00 0.00 44.72 45.67 3hqp s GLY 119 CO -0.09 1.14 0.20 -1.30 0.00 0.00 0.00 173.10 173.06 3hqp n THR 120 N -0.49 0.00 0.31 0.90 -2.24 0.82 -1.00 114.28 112.57 3hqp n THR 120 Ca 0.07 -2.09 0.17 0.00 -2.27 0.00 0.00 64.05 59.93 3hqp n THR 120 Cb 0.50 0.94 0.76 0.00 -2.10 0.00 0.00 70.33 70.43 3hqp n THR 120 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3hqp h LYS 121 N 0.00 0.00 0.12 -0.78 2.10 -1.91 -3.19 116.57 112.91 3hqp h LYS 121 Ca -0.23 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.06 3hqp h LYS 121 Cb 1.04 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.35 3hqp h LYS 121 CO 0.35 0.00 -2.01 -0.25 -2.00 0.00 0.00 179.45 175.54 3hqp n ASP 122 N -2.82 2.12 -3.71 7.07 8.00 -1.26 -4.63 116.55 121.32 3hqp n ASP 122 Ca -0.00 0.20 -0.11 0.00 0.71 0.00 0.00 54.79 55.58 3hqp n ASP 122 Cb 0.21 -0.84 -0.12 0.00 -0.02 0.00 0.00 41.12 40.35 3hqp n ASP 122 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3hqp s LYS 123 N -2.55 0.33 0.13 -1.24 2.20 -1.21 0.20 119.74 117.61 3hqp s LYS 123 Ca -0.23 0.71 -0.08 0.00 -0.36 0.00 0.00 55.97 56.01 3hqp s LYS 123 Cb 0.07 -0.05 -0.01 0.00 -1.51 0.00 0.00 37.83 36.32 3hqp s LYS 123 CO 0.76 -0.16 0.22 -0.59 -0.36 0.00 0.00 175.35 175.22 3hqp s PHE 124 N 1.37 0.38 0.05 4.03 -0.71 -0.54 -0.13 117.98 122.43 3hqp s PHE 124 Ca -0.09 -0.77 -0.19 0.00 -1.04 0.00 0.00 56.93 54.84 3hqp s PHE 124 Cb -0.09 -0.11 -0.06 0.00 -1.21 0.00 0.00 43.02 41.54 3hqp s PHE 124 CO -0.11 -0.64 0.56 -0.47 -1.34 0.00 0.00 175.22 173.22 3hqp s TYR 125 N -3.94 3.77 -0.07 3.49 5.04 -1.26 -1.55 117.35 122.83 3hqp s TYR 125 Ca 0.14 1.23 0.05 0.00 -2.44 0.00 0.00 57.07 56.06 3hqp s TYR 125 Cb 0.04 -2.51 -0.01 0.00 0.35 0.00 0.00 41.96 39.84 3hqp s TYR 125 CO -0.03 0.53 -0.25 0.42 -1.34 0.00 0.00 175.55 174.88 3hqp s ILE 126 N -0.87 2.05 -2.15 3.14 1.01 0.26 -0.77 121.20 123.86 3hqp s ILE 126 Ca 0.29 -1.04 0.29 0.00 0.00 0.00 0.00 60.65 60.18 3hqp s ILE 126 Cb -0.19 -1.75 0.74 0.00 0.01 0.00 0.00 42.46 41.27 3hqp s ILE 126 CO 0.18 0.56 2.00 -0.90 0.00 0.00 0.00 174.94 176.78 3hqp n ASP 127 N 3.18 0.51 -4.51 3.58 5.68 -0.33 -4.28 116.55 120.38 3hqp n ASP 127 Ca -0.18 -1.23 -0.42 0.00 -0.50 0.00 0.00 54.79 52.46 3hqp n ASP 127 Cb 0.52 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 3hqp n ASP 127 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3hqp s TYR 128 N -1.99 2.48 0.63 2.11 5.04 -1.26 -4.89 117.35 119.47 3hqp s TYR 128 Ca 0.42 -0.36 0.35 0.00 -2.44 0.00 0.00 57.07 55.04 3hqp s TYR 128 Cb 0.20 -4.50 1.96 0.00 0.35 0.00 0.00 41.96 39.97 3hqp s TYR 128 CO 0.34 -1.89 2.21 1.96 -1.34 0.00 0.00 175.55 176.82 3hqp h GLN 129 N 9.79 0.00 -0.35 4.97 1.08 -1.91 -1.57 115.11 127.12 3hqp h GLN 129 Ca -0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 3hqp h GLN 129 Cb 1.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 3hqp h GLN 129 CO 1.25 0.00 0.00 -1.71 -0.95 0.00 0.00 178.83 177.42 3hqp n ASN 130 N -3.45 2.57 -0.30 1.46 4.05 -1.26 -4.68 115.26 113.64 3hqp n ASN 130 Ca -0.01 -1.90 0.14 0.00 0.45 0.00 0.00 54.58 53.26 3hqp n ASN 130 Cb 0.19 -0.23 0.31 0.00 1.23 0.00 0.00 39.78 41.28 3hqp n ASN 130 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 3hqp h LEU 131 N 3.15 0.04 -0.95 1.20 5.85 -1.68 -0.95 115.31 121.97 3hqp h LEU 131 Ca 0.00 0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3hqp h LEU 131 Cb 0.70 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3hqp h LEU 131 CO 0.00 -0.16 -0.38 0.28 -0.34 0.00 0.00 178.44 177.84 3hqp h SER 132 N 0.21 0.00 0.91 1.25 0.02 -1.86 -2.40 113.55 111.68 3hqp h SER 132 Ca 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 3hqp h SER 132 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3hqp h SER 132 CO -0.66 0.38 0.00 0.29 -1.14 0.00 0.00 176.83 175.70 3hqp n LYS 133 N -3.55 0.07 -0.00 3.45 5.02 -0.37 -3.93 118.16 118.84 3hqp n LYS 133 Ca -0.00 0.01 0.04 0.00 -2.02 0.00 0.00 58.31 56.34 3hqp n LYS 133 Cb 0.51 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 3hqp n LYS 133 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3hqp n VAL 134 N -1.47 0.00 -4.38 -0.18 3.14 -0.93 -5.01 118.33 109.51 3hqp n VAL 134 Ca 0.08 -0.24 -0.29 0.00 -2.96 0.00 0.00 64.34 60.93 3hqp n VAL 134 Cb 0.32 0.53 -0.13 0.00 -1.06 0.00 0.00 33.84 33.50 3hqp n VAL 134 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3hqp s VAL 135 N -2.36 2.36 0.29 1.55 -7.23 -1.06 -5.03 120.40 108.92 3hqp s VAL 135 Ca -0.01 -1.71 0.10 0.00 -1.81 0.00 0.00 61.98 58.55 3hqp s VAL 135 Cb 0.06 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 3hqp s VAL 135 CO 0.37 0.09 -0.08 -0.13 -0.31 0.00 0.00 175.10 175.05 3hqp s ARG 136 N -2.07 1.98 0.25 4.82 0.52 -1.26 -4.88 118.95 118.31 3hqp s ARG 136 Ca 0.15 -1.67 -0.30 0.00 -0.52 0.00 0.00 55.73 53.39 3hqp s ARG 136 Cb -0.10 -1.93 -0.14 0.00 0.52 0.00 0.00 34.95 33.30 3hqp s ARG 136 CO 0.07 0.28 1.18 -2.30 0.02 0.00 0.00 175.30 174.54 3hqp n PRO 137 N -0.80 1.55 0.00 3.54 -0.02 -1.26 -1.74 135.00 136.27 3hqp n PRO 137 Ca -0.05 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3hqp n PRO 137 Cb 0.60 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3hqp n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqp n GLY 138 N 1.61 3.04 3.72 -1.23 0.00 0.10 -4.99 105.19 107.45 3hqp n GLY 138 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3hqp n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hqp s ASN 139 N 0.58 4.06 -0.05 1.61 0.02 -0.71 -4.71 114.94 115.73 3hqp s ASN 139 Ca 0.00 2.18 -0.02 0.00 -1.02 0.00 0.00 52.86 54.00 3hqp s ASN 139 Cb 0.00 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.67 3hqp s ASN 139 CO 0.00 -2.35 0.06 -0.31 0.02 0.00 0.00 177.10 174.52 3hqp s TYR 140 N -2.35 3.28 -0.19 2.20 2.02 -1.26 -1.02 117.35 120.02 3hqp s TYR 140 Ca 0.69 0.24 -0.02 0.00 -0.37 0.00 0.00 57.07 57.61 3hqp s TYR 140 Cb -0.24 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.53 3hqp s TYR 140 CO 0.50 0.55 -0.09 0.42 -1.57 0.00 0.00 175.55 175.35 3hqp s ILE 141 N -1.05 3.09 -0.18 2.71 1.01 0.36 -4.93 121.20 122.20 3hqp s ILE 141 Ca 0.18 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 3hqp s ILE 141 Cb -0.12 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 3hqp s ILE 141 CO 0.08 0.47 0.19 -0.31 0.00 0.00 0.00 174.94 175.36 3hqp s TYR 142 N 1.19 3.43 -0.01 3.97 1.51 -1.14 -0.46 117.35 125.83 3hqp s TYR 142 Ca 0.02 0.43 0.05 0.00 -1.01 0.00 0.00 57.07 56.55 3hqp s TYR 142 Cb -0.14 -2.22 -0.01 0.00 -0.11 0.00 0.00 41.96 39.48 3hqp s TYR 142 CO -0.03 0.28 -0.15 0.42 -1.11 0.00 0.00 175.55 174.96 3hqp s ILE 143 N 0.37 1.20 -0.56 2.71 -1.09 0.61 -1.56 121.20 122.88 3hqp s ILE 143 Ca 0.11 -0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 57.88 3hqp s ILE 143 Cb -0.12 -1.00 -0.01 0.00 -1.58 0.00 0.00 42.46 39.75 3hqp s ILE 143 CO 0.00 0.34 0.52 -0.67 -1.23 0.00 0.00 174.94 173.90 3hqp n ASP 144 N 2.77 -5.97 -3.40 3.58 2.03 -0.22 -1.53 116.55 113.80 3hqp n ASP 144 Ca -0.15 -0.12 -0.24 0.00 0.52 0.00 0.00 54.79 54.80 3hqp n ASP 144 Cb 0.55 -4.01 0.00 0.00 -0.72 0.00 0.00 41.12 36.93 3hqp n ASP 144 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3hqp n ASP 145 N -1.73 -4.02 -0.51 1.67 8.00 -1.26 -1.44 116.55 117.26 3hqp n ASP 145 Ca -0.01 -0.43 -0.07 0.00 0.71 0.00 0.00 54.79 54.99 3hqp n ASP 145 Cb 0.51 -3.30 -0.03 0.00 -0.02 0.00 0.00 41.12 38.28 3hqp n ASP 145 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hqp n GLY 146 N -1.25 0.86 0.11 0.44 0.00 -1.19 -4.74 105.19 99.41 3hqp n GLY 146 Ca -0.02 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 3hqp n GLY 146 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hqp h ILE 147 N 0.00 1.43 -2.77 -0.61 2.04 -0.90 -3.43 117.51 113.27 3hqp h ILE 147 Ca -0.14 -1.59 -0.65 0.00 1.00 0.00 0.00 64.86 63.48 3hqp h ILE 147 Cb 0.59 2.29 -0.06 0.00 -0.74 0.00 0.00 36.82 38.89 3hqp h ILE 147 CO 0.20 0.45 -0.40 -0.22 0.00 0.00 0.00 178.15 178.18 3hqp s LEU 148 N -8.83 4.41 -0.09 1.44 2.96 -0.58 -4.99 118.68 113.00 3hqp s LEU 148 Ca -0.15 0.59 0.03 0.00 -0.22 0.00 0.00 54.13 54.38 3hqp s LEU 148 Cb 0.03 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.44 3hqp s LEU 148 CO 0.75 0.36 -0.18 -0.63 -1.32 0.00 0.00 176.35 175.33 3hqp s ILE 149 N -1.09 1.61 -0.13 6.68 1.01 -1.26 -0.28 121.20 127.73 3hqp s ILE 149 Ca 0.19 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 3hqp s ILE 149 Cb -0.13 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3hqp s ILE 149 CO 0.08 0.46 0.03 -0.76 0.00 0.00 0.00 174.94 174.76 3hqp s LEU 150 N 0.59 3.70 -0.16 2.97 1.43 0.39 -1.84 118.68 125.76 3hqp s LEU 150 Ca -0.15 0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 52.92 3hqp s LEU 150 Cb -0.17 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 3hqp s LEU 150 CO 0.05 0.28 0.33 -1.58 0.23 0.00 0.00 176.35 175.66 3hqp s GLN 151 N -0.27 4.26 -0.02 1.70 0.74 0.08 -0.49 119.66 125.66 3hqp s GLN 151 Ca 0.07 0.15 -0.30 0.00 0.05 0.00 0.00 55.36 55.33 3hqp s GLN 151 Cb -0.12 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.49 3hqp s GLN 151 CO 0.02 0.18 1.37 0.08 -0.55 0.00 0.00 175.29 176.39 3hqp s VAL 152 N 0.64 3.82 -0.22 1.34 1.01 -0.19 -0.16 120.40 126.63 3hqp s VAL 152 Ca 0.18 1.18 -0.13 0.00 0.00 0.00 0.00 61.98 63.21 3hqp s VAL 152 Cb -0.14 -3.76 -0.18 0.00 0.00 0.00 0.00 36.38 32.31 3hqp s VAL 152 CO 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 175.10 175.15 3hqp n GLN 153 N 5.42 0.62 -3.66 2.72 1.13 0.19 0.02 117.38 123.83 3hqp n GLN 153 Ca 0.13 0.36 -0.04 0.00 -1.94 0.00 0.00 57.00 55.51 3hqp n GLN 153 Cb 0.44 -1.63 -0.01 0.00 0.11 0.00 0.00 30.24 29.14 3hqp n GLN 153 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3hqp s SER 154 N -7.04 -0.21 -0.33 1.08 1.04 -1.03 -4.71 113.70 102.49 3hqp s SER 154 Ca -0.32 -0.23 -0.24 0.00 0.48 0.00 0.00 55.95 55.65 3hqp s SER 154 Cb 0.09 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.61 3hqp s SER 154 CO 0.60 -0.71 0.81 -1.00 0.98 0.00 0.00 173.24 173.92 3hqp s HIS 155 N -3.08 3.16 -0.02 5.02 3.76 -1.26 -1.12 115.29 121.74 3hqp s HIS 155 Ca 0.10 0.73 -0.25 0.00 -0.15 0.00 0.00 55.06 55.49 3hqp s HIS 155 Cb -0.00 -3.34 -0.20 0.00 1.11 0.00 0.00 32.58 30.15 3hqp s HIS 155 CO -0.02 -0.66 1.22 0.93 -0.85 0.00 0.00 174.74 175.36 3hqp h GLU 156 N 8.28 0.07 0.00 1.40 4.39 -1.32 -3.47 114.58 123.93 3hqp h GLU 156 Ca -0.24 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3hqp h GLU 156 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3hqp h GLU 156 CO 0.91 0.61 0.00 -0.40 -1.16 0.00 0.00 179.01 178.96 3hqp n ASP 157 N -4.76 0.00 0.15 1.42 5.68 -1.11 -4.99 116.55 112.94 3hqp n ASP 157 Ca -0.08 -0.48 0.12 0.00 -0.50 0.00 0.00 54.79 53.85 3hqp n ASP 157 Cb 0.31 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 40.83 3hqp n ASP 157 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3hqp n GLU 158 N 0.00 0.18 0.00 0.11 2.13 -1.26 -3.27 120.64 118.53 3hqp n GLU 158 Ca 0.00 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.34 3hqp n GLU 158 Cb 0.00 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 29.78 3hqp n GLU 158 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3hqp n GLN 159 N -2.28 0.41 -3.77 5.31 6.02 -1.26 -4.84 117.38 116.96 3hqp n GLN 159 Ca 0.01 -0.40 -0.14 0.00 -0.01 0.00 0.00 57.00 56.46 3hqp n GLN 159 Cb 0.15 -0.89 -0.15 0.00 1.02 0.00 0.00 30.24 30.37 3hqp n GLN 159 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hqp s THR 160 N -0.17 -0.04 -0.10 5.09 2.01 -1.20 -1.12 115.64 120.10 3hqp s THR 160 Ca 0.00 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.16 3hqp s THR 160 Cb 0.00 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.33 3hqp s THR 160 CO 0.00 0.06 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.13 3hqp s LEU 161 N 0.92 2.90 -0.17 4.42 1.43 0.78 -0.84 118.68 128.12 3hqp s LEU 161 Ca -0.07 -0.20 -0.23 0.00 -1.03 0.00 0.00 54.13 52.59 3hqp s LEU 161 Cb -0.10 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 3hqp s LEU 161 CO -0.04 0.25 0.75 -0.70 0.23 0.00 0.00 176.35 176.84 3hqp s GLU 162 N -0.16 4.28 0.24 1.70 2.12 -0.27 -1.22 118.70 125.38 3hqp s GLU 162 Ca 0.01 0.86 0.07 0.00 0.36 0.00 0.00 54.97 56.26 3hqp s GLU 162 Cb -0.13 -3.56 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 3hqp s GLU 162 CO 0.03 -0.26 -0.09 0.00 -0.54 0.00 0.00 175.26 174.40 3hqp s THR 164 N -3.04 3.28 -0.61 0.00 2.01 0.77 -1.73 115.64 116.32 3hqp s THR 164 Ca 0.26 -0.62 -0.28 0.00 0.31 0.00 0.00 61.69 61.37 3hqp s THR 164 Cb 0.02 -2.34 0.03 0.00 0.01 0.00 0.00 72.50 70.23 3hqp s THR 164 CO 0.09 0.57 1.20 -0.69 -0.69 0.00 0.00 174.62 175.10 3hqp s VAL 165 N -0.35 3.98 0.16 3.82 1.01 0.74 -0.74 120.40 129.03 3hqp s VAL 165 Ca 0.04 0.80 0.23 0.00 0.00 0.00 0.00 61.98 63.05 3hqp s VAL 165 Cb -0.13 -4.76 0.22 0.00 0.00 0.00 0.00 36.38 31.71 3hqp s VAL 165 CO 0.02 -1.43 1.82 0.71 0.00 0.00 0.00 175.10 176.23 3hqp h THR 166 N 6.13 0.63 -2.83 3.92 1.35 -1.69 0.35 112.91 120.76 3hqp h THR 166 Ca -0.26 -1.17 -0.10 0.00 -0.55 0.00 0.00 66.41 64.33 3hqp h THR 166 Cb 1.06 1.77 -0.19 0.00 -1.73 0.00 0.00 68.15 69.05 3hqp h THR 166 CO 1.20 0.24 -0.17 0.54 -0.25 0.00 0.00 175.52 177.09 3hqp s ASN 167 N -6.25 -0.29 -0.11 5.36 2.20 -1.26 -4.69 114.94 109.90 3hqp s ASN 167 Ca 0.00 0.20 -0.30 0.00 -0.94 0.00 0.00 52.86 51.82 3hqp s ASN 167 Cb 0.11 0.37 -0.02 0.00 -2.00 0.00 0.00 41.25 39.70 3hqp s ASN 167 CO 0.64 -0.50 1.14 -0.44 -2.94 0.00 0.00 177.10 175.00 3hqp s SER 168 N -1.38 7.09 -0.10 3.54 0.01 -1.26 -4.25 113.70 117.36 3hqp s SER 168 Ca -0.12 1.66 -0.21 0.00 1.31 0.00 0.00 55.95 58.59 3hqp s SER 168 Cb -0.04 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.69 3hqp s SER 168 CO 0.05 -0.59 0.50 -2.28 0.41 0.00 0.00 173.24 171.32 3hqp s HIS 169 N 2.52 -0.47 -0.24 2.43 5.04 -0.64 -4.94 115.29 118.99 3hqp s HIS 169 Ca 0.52 0.96 -0.11 0.00 -1.54 0.00 0.00 55.06 54.89 3hqp s HIS 169 Cb -0.21 0.22 -0.05 0.00 0.04 0.00 0.00 32.58 32.58 3hqp s HIS 169 CO 0.17 -0.40 0.19 0.99 -2.34 0.00 0.00 174.74 173.35 3hqp s THR 170 N -0.64 5.34 -0.03 0.89 2.01 -1.26 -1.22 115.64 120.73 3hqp s THR 170 Ca -0.07 0.23 0.06 0.00 0.31 0.00 0.00 61.69 62.22 3hqp s THR 170 Cb -0.03 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 3hqp s THR 170 CO 0.04 0.32 -0.21 0.27 -0.69 0.00 0.00 174.62 174.35 3hqp s ILE 171 N 1.21 2.45 0.53 1.82 -4.36 -0.48 -4.93 121.20 117.45 3hqp s ILE 171 Ca 0.08 -0.97 0.08 0.00 -0.26 0.00 0.00 60.65 59.58 3hqp s ILE 171 Cb -0.14 -1.90 0.06 0.00 1.25 0.00 0.00 42.46 41.73 3hqp s ILE 171 CO 0.06 0.58 0.74 -0.44 0.24 0.00 0.00 174.94 176.11 3hqp s SER 172 N -0.68 5.23 0.22 4.36 0.01 -1.26 -0.50 113.70 121.08 3hqp s SER 172 Ca 0.11 -0.61 -0.31 0.00 1.31 0.00 0.00 55.95 56.45 3hqp s SER 172 Cb -0.10 -0.12 -0.15 0.00 0.21 0.00 0.00 66.02 65.86 3hqp s SER 172 CO -0.00 -1.18 1.16 0.47 0.41 0.00 0.00 173.24 174.09 3hqp n ASP 173 N -2.17 1.58 -2.94 2.44 9.92 -1.18 -3.64 116.55 120.56 3hqp n ASP 173 Ca 0.13 1.15 -0.13 0.00 -0.53 0.00 0.00 54.79 55.41 3hqp n ASP 173 Cb 0.61 -1.28 0.07 0.00 -0.64 0.00 0.00 41.12 39.88 3hqp n ASP 173 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3hqp n ARG 174 N 1.48 -4.15 -2.30 -1.24 1.74 -0.88 -4.99 116.66 106.32 3hqp n ARG 174 Ca 0.13 0.69 -0.41 0.00 -0.77 0.00 0.00 57.85 57.49 3hqp n ARG 174 Cb 0.28 -5.14 -0.03 0.00 -1.02 0.00 0.00 32.46 26.55 3hqp n ARG 174 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hqp s ARG 175 N -4.77 4.49 0.42 5.56 3.00 -1.24 -4.72 118.95 121.69 3hqp s ARG 175 Ca 0.12 1.99 -0.26 0.00 0.00 0.00 0.00 55.73 57.59 3hqp s ARG 175 Cb -0.02 -3.15 -0.09 0.00 0.00 0.00 0.00 34.95 31.69 3hqp s ARG 175 CO 0.59 -0.02 1.39 0.20 0.00 0.00 0.00 175.30 177.46 3hqp s GLY 176 N -0.47 2.93 -0.02 -3.53 0.00 -1.26 -1.02 107.32 103.94 3hqp s GLY 176 Ca 0.48 1.40 0.07 0.00 0.00 0.00 0.00 44.72 46.67 3hqp s GLY 176 CO 0.45 2.01 -0.24 -1.34 0.00 0.00 0.00 173.10 173.98 3hqp s VAL 177 N -1.20 1.88 -0.01 1.40 -7.23 -0.34 -1.06 120.40 113.84 3hqp s VAL 177 Ca 0.57 -1.02 0.06 0.00 -1.81 0.00 0.00 61.98 59.79 3hqp s VAL 177 Cb -0.42 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 3hqp s VAL 177 CO 0.55 0.53 -0.20 0.20 -0.31 0.00 0.00 175.10 175.87 3hqp s ASN 178 N -0.54 2.34 -0.54 4.85 0.01 -0.60 -4.22 114.94 116.24 3hqp s ASN 178 Ca 0.09 -0.38 0.05 0.00 -0.71 0.00 0.00 52.86 51.91 3hqp s ASN 178 Cb -0.09 -0.25 0.18 0.00 0.41 0.00 0.00 41.25 41.50 3hqp s ASN 178 CO -0.01 0.23 0.46 0.18 -1.51 0.00 0.00 177.10 176.45 3hqp n LEU 179 N 2.51 1.32 -4.73 0.60 4.77 -1.26 -2.90 117.00 117.32 3hqp n LEU 179 Ca -0.15 -4.82 -0.42 0.00 -0.03 0.00 0.00 56.01 50.58 3hqp n LEU 179 Cb 0.53 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3hqp n LEU 179 CO 0.24 1.86 1.31 -2.65 -1.33 0.00 0.00 177.39 176.82 3hqp n PRO 180 N 2.18 2.71 -2.88 3.23 -0.02 -1.26 -2.93 135.00 136.04 3hqp n PRO 180 Ca 0.25 0.97 -0.10 0.00 -2.02 0.00 0.00 63.50 62.60 3hqp n PRO 180 Cb 0.43 -2.79 0.05 0.00 -0.02 0.00 0.00 33.50 31.17 3hqp n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqp n GLY 181 N 3.26 -0.03 0.00 -1.23 0.00 -1.26 -4.97 105.19 100.95 3hqp n GLY 181 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hqp n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqp n ASP 183 N -1.52 -7.80 -4.73 0.00 4.64 -1.26 -4.95 116.55 100.93 3hqp n ASP 183 Ca 0.00 0.57 -0.39 0.00 -1.38 0.00 0.00 54.79 53.59 3hqp n ASP 183 Cb 0.26 -5.28 -0.05 0.00 -1.04 0.00 0.00 41.12 35.01 3hqp n ASP 183 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3hqp s VAL 184 N -2.51 5.05 -1.32 5.18 -7.23 -1.26 -4.97 120.40 113.34 3hqp s VAL 184 Ca 0.23 1.29 -0.14 0.00 -1.81 0.00 0.00 61.98 61.55 3hqp s VAL 184 Cb -0.06 -3.97 0.10 0.00 0.56 0.00 0.00 36.38 33.01 3hqp s VAL 184 CO 0.75 0.30 1.84 -0.67 -0.31 0.00 0.00 175.10 177.01 3hqp n ASP 185 N 3.54 4.72 -4.28 4.85 2.03 -1.26 -4.93 116.55 121.23 3hqp n ASP 185 Ca -0.04 -2.94 -0.32 0.00 0.52 0.00 0.00 54.79 52.01 3hqp n ASP 185 Cb 0.51 -1.64 -0.16 0.00 -0.72 0.00 0.00 41.12 39.11 3hqp n ASP 185 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hqp s LEU 186 N 2.30 2.18 0.31 -2.67 1.43 -1.26 -5.11 118.68 115.86 3hqp s LEU 186 Ca 0.47 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.80 3hqp s LEU 186 Cb 0.07 -1.42 -0.13 0.00 0.03 0.00 0.00 46.19 44.74 3hqp s LEU 186 CO 0.00 0.22 1.27 -0.81 0.23 0.00 0.00 176.35 177.26 3hqp n PRO 187 N 3.12 1.99 -0.19 1.29 -0.04 -1.26 -4.93 135.00 134.99 3hqp n PRO 187 Ca -0.18 0.70 -0.01 0.00 -0.04 0.00 0.00 63.50 63.97 3hqp n PRO 187 Cb 0.52 -2.26 0.09 0.00 -0.04 0.00 0.00 33.50 31.81 3hqp n PRO 187 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hqp h ALA 188 N 2.78 0.70 -3.48 0.55 0.00 -1.99 -3.39 119.26 114.43 3hqp h ALA 188 Ca -0.45 0.09 -0.40 0.00 0.00 0.00 0.00 54.91 54.14 3hqp h ALA 188 Cb 1.29 0.07 -0.34 0.00 0.00 0.00 0.00 17.79 18.82 3hqp h ALA 188 CO 0.65 -0.22 -0.77 0.54 0.00 0.00 0.00 179.25 179.44 3hqp s VAL 189 N -6.11 0.51 0.45 0.00 0.11 -1.26 -4.55 120.40 109.56 3hqp s VAL 189 Ca -0.13 -0.12 0.08 0.00 -2.93 0.00 0.00 61.98 58.89 3hqp s VAL 189 Cb 0.16 -0.54 0.02 0.00 -1.53 0.00 0.00 36.38 34.50 3hqp s VAL 189 CO 0.74 0.22 0.59 -0.94 -3.33 0.00 0.00 175.10 172.38 3hqp s SER 190 N 0.87 5.46 0.21 3.54 1.04 -1.26 -4.95 113.70 118.60 3hqp s SER 190 Ca -0.12 -0.56 -0.10 0.00 0.48 0.00 0.00 55.95 55.66 3hqp s SER 190 Cb -0.14 -0.42 0.24 0.00 0.10 0.00 0.00 66.02 65.79 3hqp s SER 190 CO 0.00 -0.88 1.79 0.00 0.98 0.00 0.00 173.24 175.13 3hqp h ALA 191 N 0.58 0.85 -0.64 5.32 0.00 -1.99 -0.25 119.26 123.14 3hqp h ALA 191 Ca -0.38 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.57 3hqp h ALA 191 Cb 1.28 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3hqp h ALA 191 CO 0.46 -0.02 0.42 0.87 0.00 0.00 0.00 179.25 180.98 3hqp h LYS 192 N 0.61 0.85 -0.24 0.00 1.57 -1.99 -1.15 116.57 116.22 3hqp h LYS 192 Ca 0.29 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.07 3hqp h LYS 192 Cb 0.23 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3hqp h LYS 192 CO -0.20 0.57 -0.06 -0.44 -0.57 0.00 0.00 179.45 178.74 3hqp h ASP 193 N 0.87 -0.21 -0.68 0.86 3.32 -1.80 0.02 116.42 118.80 3hqp h ASP 193 Ca 0.23 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.43 3hqp h ASP 193 Cb -0.09 0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 3hqp h ASP 193 CO -0.05 -0.07 0.36 0.03 -1.72 0.00 0.00 179.24 177.79 3hqp h ARG 194 N 0.00 0.63 -0.36 3.56 3.08 -0.62 0.40 114.38 121.07 3hqp h ARG 194 Ca 0.11 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3hqp h ARG 194 Cb 0.17 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3hqp h ARG 194 CO -0.24 0.42 0.16 0.28 -1.07 0.00 0.00 179.97 179.52 3hqp h VAL 195 N 0.65 1.18 -0.78 2.04 2.07 -0.94 -1.32 116.25 119.15 3hqp h VAL 195 Ca 0.32 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3hqp h VAL 195 Cb 0.26 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3hqp h VAL 195 CO -0.22 0.19 0.36 0.44 0.02 0.00 0.00 177.57 178.36 3hqp h ASP 196 N 0.45 1.03 -0.60 0.57 3.32 -0.29 -2.43 116.42 118.46 3hqp h ASP 196 Ca 0.12 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 3hqp h ASP 196 Cb 0.14 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3hqp h ASP 196 CO -0.01 0.89 0.03 -0.07 -1.72 0.00 0.00 179.24 178.35 3hqp h LEU 197 N 1.10 1.01 -0.47 1.55 3.38 -0.13 -2.48 115.31 119.28 3hqp h LEU 197 Ca 0.26 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3hqp h LEU 197 Cb 0.14 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3hqp h LEU 197 CO -0.03 1.06 0.25 -0.61 0.09 0.00 0.00 178.44 179.19 3hqp h GLN 198 N 0.94 0.48 -0.59 1.13 4.15 -1.08 -2.17 115.11 117.97 3hqp h GLN 198 Ca 0.17 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 3hqp h GLN 198 Cb 0.52 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 3hqp h GLN 198 CO 0.02 0.32 0.33 0.35 -1.93 0.00 0.00 178.83 177.92 3hqp h PHE 199 N 0.49 0.81 -0.69 3.99 3.57 -1.35 -0.95 116.94 122.81 3hqp h PHE 199 Ca 0.20 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.73 3hqp h PHE 199 Cb 0.08 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.52 3hqp h PHE 199 CO -0.09 0.58 0.41 0.78 -2.23 0.00 0.00 178.31 177.76 3hqp h GLY 200 N 0.80 1.01 0.92 2.40 0.00 -1.23 -0.21 103.07 106.76 3hqp h GLY 200 Ca 0.21 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3hqp h GLY 200 CO -0.03 0.22 0.03 -2.08 0.00 0.00 0.00 176.54 174.67 3hqp h VAL 201 N 0.78 1.08 -0.48 4.60 2.07 -1.08 -0.65 116.25 122.58 3hqp h VAL 201 Ca 0.29 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.61 3hqp h VAL 201 Cb 0.11 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3hqp h VAL 201 CO -0.14 0.07 0.25 -0.33 0.02 0.00 0.00 177.57 177.43 3hqp h GLU 202 N -0.01 0.48 -0.08 1.57 5.08 -0.86 -2.16 114.58 118.60 3hqp h GLU 202 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hqp h GLU 202 Cb 0.09 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3hqp h GLU 202 CO -0.00 0.32 0.00 1.04 -1.00 0.00 0.00 179.01 179.37 3hqp n GLN 203 N -4.88 1.44 -3.08 2.33 1.13 -0.12 -4.94 117.38 109.26 3hqp n GLN 203 Ca 0.03 -0.66 -0.13 0.00 -1.94 0.00 0.00 57.00 54.30 3hqp n GLN 203 Cb 0.11 -1.38 0.05 0.00 0.11 0.00 0.00 30.24 29.13 3hqp n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hqp n GLY 204 N 1.02 0.01 3.75 1.08 0.00 -0.81 -5.02 105.19 105.21 3hqp n GLY 204 Ca 0.16 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3hqp n GLY 204 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqp s VAL 205 N -3.20 3.01 -0.08 1.61 -7.23 -0.31 -4.99 120.40 109.22 3hqp s VAL 205 Ca 0.25 0.35 0.05 0.00 -1.81 0.00 0.00 61.98 60.82 3hqp s VAL 205 Cb -0.11 -2.74 -0.24 0.00 0.56 0.00 0.00 36.38 33.85 3hqp s VAL 205 CO 0.45 -0.41 0.53 0.47 -0.31 0.00 0.00 175.10 175.83 3hqp n ASP 206 N -3.54 1.33 -3.69 4.85 8.00 -0.55 -4.88 116.55 118.07 3hqp n ASP 206 Ca 0.10 0.32 -0.10 0.00 0.71 0.00 0.00 54.79 55.82 3hqp n ASP 206 Cb 0.53 -0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 3hqp n ASP 206 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hqp s MET 207 N -2.58 1.09 -0.14 -1.24 0.23 -1.14 -2.57 119.30 112.96 3hqp s MET 207 Ca -0.12 -0.79 0.00 0.00 -1.03 0.00 0.00 55.69 53.76 3hqp s MET 207 Cb 0.07 0.46 -0.01 0.00 -1.53 0.00 0.00 34.83 33.82 3hqp s MET 207 CO 0.80 -0.42 -0.15 0.42 -2.03 0.00 0.00 175.02 173.64 3hqp s ILE 208 N -3.83 2.79 -0.79 3.16 -1.09 0.89 -1.53 121.20 120.80 3hqp s ILE 208 Ca 0.05 -0.74 -0.19 0.00 -2.23 0.00 0.00 60.65 57.54 3hqp s ILE 208 Cb 0.02 -2.17 0.13 0.00 -1.58 0.00 0.00 42.46 38.86 3hqp s ILE 208 CO -0.10 0.52 0.95 -0.36 -1.23 0.00 0.00 174.94 174.72 3hqp s PHE 209 N 0.58 3.11 -0.42 3.97 0.08 0.34 -0.32 117.98 125.33 3hqp s PHE 209 Ca -0.09 -1.24 -0.29 0.00 0.12 0.00 0.00 56.93 55.43 3hqp s PHE 209 Cb -0.16 -4.15 0.01 0.00 -0.57 0.00 0.00 43.02 38.15 3hqp s PHE 209 CO 0.03 -1.40 1.37 0.00 -0.10 0.00 0.00 175.22 175.13 3hqp s ALA 210 N 2.54 3.08 0.41 5.36 0.00 0.22 -1.74 121.76 131.62 3hqp s ALA 210 Ca 0.24 -0.19 -0.25 0.00 0.00 0.00 0.00 51.96 51.76 3hqp s ALA 210 Cb -0.12 -3.93 -0.08 0.00 0.00 0.00 0.00 23.12 18.99 3hqp s ALA 210 CO -0.02 -2.35 1.18 -1.12 0.00 0.00 0.00 175.76 173.45 3hqp s SER 211 N 3.68 6.45 -1.31 0.00 0.01 -1.26 -1.53 113.70 119.75 3hqp s SER 211 Ca 0.59 2.37 -0.01 0.00 1.31 0.00 0.00 55.95 60.22 3hqp s SER 211 Cb -0.13 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.48 3hqp s SER 211 CO 0.32 -0.73 0.68 0.49 0.41 0.00 0.00 173.24 174.41 3hqp n PHE 212 N 0.01 -1.89 -2.52 2.43 3.72 -1.25 -4.49 117.46 113.47 3hqp n PHE 212 Ca 0.05 0.82 -0.43 0.00 -0.05 0.00 0.00 57.45 57.84 3hqp n PHE 212 Cb 0.46 -4.30 -0.02 0.00 -0.94 0.00 0.00 39.48 34.68 3hqp n PHE 212 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3hqp s ILE 213 N -3.69 4.45 -0.30 4.37 -1.09 -0.99 -4.76 121.20 119.18 3hqp s ILE 213 Ca 0.02 1.75 0.11 0.00 -2.23 0.00 0.00 60.65 60.30 3hqp s ILE 213 Cb -0.01 -4.13 -0.14 0.00 -1.58 0.00 0.00 42.46 36.61 3hqp s ILE 213 CO 0.82 -0.15 0.36 -2.11 -1.23 0.00 0.00 174.94 172.64 3hqp n ARG 214 N 6.43 2.22 -3.53 2.79 1.85 -1.26 -4.08 116.66 121.08 3hqp n ARG 214 Ca 0.13 -0.04 -0.12 0.00 -1.00 0.00 0.00 57.85 56.82 3hqp n ARG 214 Cb 0.45 -1.10 -0.04 0.00 -1.05 0.00 0.00 32.46 30.72 3hqp n ARG 214 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3hqp s SER 215 N -2.51 -0.43 0.36 2.89 1.04 -1.26 -4.12 113.70 109.67 3hqp s SER 215 Ca 0.01 -0.08 0.09 0.00 0.48 0.00 0.00 55.95 56.46 3hqp s SER 215 Cb 0.08 0.53 0.68 0.00 0.10 0.00 0.00 66.02 67.41 3hqp s SER 215 CO 0.44 -0.88 1.84 0.00 0.98 0.00 0.00 173.24 175.62 3hqp h ALA 216 N 2.28 1.37 -0.57 5.32 0.00 -1.88 -2.92 119.26 122.86 3hqp h ALA 216 Ca -0.33 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 3hqp h ALA 216 Cb 1.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3hqp h ALA 216 CO 0.42 0.44 0.17 1.49 0.00 0.00 0.00 179.25 181.77 3hqp h GLU 217 N 0.16 0.89 -0.97 0.00 4.81 -1.96 -2.55 114.58 114.97 3hqp h GLU 217 Ca 0.03 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3hqp h GLU 217 Cb 0.56 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 3hqp h GLU 217 CO 0.04 0.81 0.64 0.37 -0.73 0.00 0.00 179.01 180.14 3hqp h GLN 218 N 0.80 1.28 -0.20 1.92 4.15 -1.93 -1.29 115.11 119.84 3hqp h GLN 218 Ca 0.18 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3hqp h GLN 218 Cb 0.30 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3hqp h GLN 218 CO -0.00 0.85 0.12 0.28 -1.93 0.00 0.00 178.83 178.15 3hqp h VAL 219 N 1.31 1.04 -0.85 2.39 2.07 -1.36 -1.22 116.25 119.63 3hqp h VAL 219 Ca 0.35 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.89 3hqp h VAL 219 Cb -0.14 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 3hqp h VAL 219 CO -0.08 0.05 0.55 1.23 0.02 0.00 0.00 177.57 179.34 3hqp h GLY 220 N 0.26 1.18 1.35 2.17 0.00 -1.04 0.38 103.07 107.37 3hqp h GLY 220 Ca 0.08 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 3hqp h GLY 220 CO -0.03 0.18 -0.11 -0.55 0.00 0.00 0.00 176.54 176.03 3hqp h ASP 221 N 0.80 0.76 -0.43 0.19 3.32 -0.70 -0.09 116.42 120.28 3hqp h ASP 221 Ca 0.40 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 3hqp h ASP 221 Cb 0.46 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3hqp h ASP 221 CO -0.17 0.90 -0.06 0.58 -1.72 0.00 0.00 179.24 178.78 3hqp h VAL 222 N 0.70 1.27 -0.82 -1.35 2.07 0.06 -1.41 116.25 116.77 3hqp h VAL 222 Ca 0.12 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 3hqp h VAL 222 Cb 0.59 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 3hqp h VAL 222 CO 0.04 0.38 0.37 -0.09 0.02 0.00 0.00 177.57 178.30 3hqp h ARG 223 N 0.62 1.20 -0.65 1.57 2.43 -0.81 -2.17 114.38 116.56 3hqp h ARG 223 Ca 0.11 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 3hqp h ARG 223 Cb 0.57 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 3hqp h ARG 223 CO 0.03 0.93 0.11 -0.22 -1.51 0.00 0.00 179.97 179.31 3hqp h LYS 224 N 1.17 1.08 -0.08 0.20 3.64 -0.90 -2.57 116.57 119.12 3hqp h LYS 224 Ca 0.28 -0.28 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3hqp h LYS 224 Cb 0.15 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3hqp h LYS 224 CO -0.03 0.98 -0.32 0.00 -2.27 0.00 0.00 179.45 177.81 3hqp h ALA 225 N 1.10 1.33 -0.08 5.00 0.00 -0.96 -2.76 119.26 122.88 3hqp h ALA 225 Ca 0.20 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3hqp h ALA 225 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hqp h ALA 225 CO 0.01 0.48 -0.51 -0.07 0.00 0.00 0.00 179.25 179.16 3hqp h LEU 226 N 0.13 0.24 0.00 0.00 3.38 -1.07 -3.44 115.31 114.54 3hqp h LEU 226 Ca 0.02 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3hqp h LEU 226 Cb 0.63 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3hqp h LEU 226 CO 0.05 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.90 3hqp n GLY 227 N 0.04 -1.86 0.29 0.83 0.00 -1.00 -2.75 105.19 100.74 3hqp n GLY 227 Ca -0.02 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 3hqp n GLY 227 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqp h PRO 228 N 0.00 1.00 0.00 1.61 0.11 -1.89 -3.06 132.00 129.77 3hqp h PRO 228 Ca 0.00 -0.33 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 3hqp h PRO 228 Cb 0.00 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 3hqp h PRO 228 CO 0.00 1.01 -0.03 0.87 -0.21 0.00 0.00 178.00 179.64 3hqp h LYS 229 N 0.88 0.00 -0.41 1.05 1.79 -2.00 -2.94 116.57 114.93 3hqp h LYS 229 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3hqp h LYS 229 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 3hqp h LYS 229 CO 0.03 0.03 0.00 0.41 -1.08 0.00 0.00 179.45 178.84 3hqp n GLY 230 N -1.41 3.51 0.24 3.86 0.00 -1.11 -4.72 105.19 105.55 3hqp n GLY 230 Ca -0.03 -0.97 0.11 0.00 0.00 0.00 0.00 46.02 45.13 3hqp n GLY 230 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hqp h ARG 231 N 2.84 0.00 -0.45 1.61 0.11 -1.45 -2.50 114.38 114.54 3hqp h ARG 231 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hqp h ARG 231 Cb 1.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.73 3hqp h ARG 231 CO 0.33 0.19 0.00 -0.25 0.10 0.00 0.00 179.97 180.34 3hqp n ASP 232 N -3.57 2.79 -4.76 0.08 8.00 -1.26 -4.88 116.55 112.94 3hqp n ASP 232 Ca -0.01 -1.95 -0.39 0.00 0.71 0.00 0.00 54.79 53.15 3hqp n ASP 232 Cb 0.33 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 3hqp n ASP 232 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hqp s ILE 233 N -1.40 4.90 0.08 0.53 1.01 -0.94 -5.00 121.20 120.36 3hqp s ILE 233 Ca 0.36 1.28 -0.29 0.00 0.00 0.00 0.00 60.65 62.00 3hqp s ILE 233 Cb 0.19 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 3hqp s ILE 233 CO 0.26 0.41 0.95 -0.04 0.00 0.00 0.00 174.94 176.52 3hqp s MET 234 N -0.16 4.65 -0.43 2.79 -1.94 -1.06 -4.92 119.30 118.22 3hqp s MET 234 Ca 0.32 1.41 -0.13 0.00 -1.71 0.00 0.00 55.69 55.57 3hqp s MET 234 Cb -0.18 -3.40 0.06 0.00 2.01 0.00 0.00 34.83 33.32 3hqp s MET 234 CO 0.18 0.16 0.31 0.42 -0.01 0.00 0.00 175.02 176.08 3hqp s ILE 235 N 0.23 4.88 -0.29 2.53 1.01 -1.26 -0.08 121.20 128.22 3hqp s ILE 235 Ca 0.47 -1.04 -0.15 0.00 0.00 0.00 0.00 60.65 59.93 3hqp s ILE 235 Cb -0.22 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 3hqp s ILE 235 CO 0.29 -0.46 0.39 -0.63 0.00 0.00 0.00 174.94 174.53 3hqp s ILE 236 N 1.58 5.15 -0.26 2.92 -1.09 0.57 -1.26 121.20 128.80 3hqp s ILE 236 Ca 0.04 0.49 -0.16 0.00 -2.23 0.00 0.00 60.65 58.78 3hqp s ILE 236 Cb -0.22 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 3hqp s ILE 236 CO 0.06 0.08 0.44 0.00 -1.23 0.00 0.00 174.94 174.29 3hqp s LYS 238 N 2.11 4.27 -0.33 0.00 1.02 -0.58 -1.16 119.74 125.07 3hqp s LYS 238 Ca 0.18 1.16 -0.17 0.00 0.02 0.00 0.00 55.97 57.16 3hqp s LYS 238 Cb -0.16 -3.61 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 3hqp s LYS 238 CO 0.09 -0.48 0.44 0.42 -0.92 0.00 0.00 175.35 174.90 3hqp s ILE 239 N 2.68 5.10 0.00 2.17 -1.09 -0.05 -2.36 121.20 127.65 3hqp s ILE 239 Ca 0.40 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 59.09 3hqp s ILE 239 Cb -0.16 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 3hqp s ILE 239 CO 0.09 -0.11 0.45 -1.84 -1.23 0.00 0.00 174.94 172.31 3hqp n GLU 240 N 5.54 0.00 -4.20 2.79 0.28 -1.26 -1.92 120.64 121.87 3hqp n GLU 240 Ca -0.07 -0.44 -0.18 0.00 -0.16 0.00 0.00 57.16 56.31 3hqp n GLU 240 Cb 0.49 -0.39 -0.06 0.00 1.43 0.00 0.00 31.44 32.91 3hqp n GLU 240 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3hqp s ASN 241 N -0.10 1.46 0.15 -1.84 2.20 -1.26 -3.33 114.94 112.22 3hqp s ASN 241 Ca 0.00 -1.68 -0.19 0.00 -0.94 0.00 0.00 52.86 50.05 3hqp s ASN 241 Cb 0.00 0.62 0.05 0.00 -2.00 0.00 0.00 41.25 39.92 3hqp s ASN 241 CO 0.00 -1.20 1.66 -0.74 -2.94 0.00 0.00 177.10 173.88 3hqp h HIS 242 N 2.09 -0.33 -0.02 1.54 -0.00 -1.95 -2.78 115.15 113.69 3hqp h HIS 242 Ca -0.26 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.00 3hqp h HIS 242 Cb 1.23 0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 28.82 3hqp h HIS 242 CO 1.74 -0.21 -0.66 -0.56 -0.00 0.00 0.00 177.93 178.24 3hqp h GLN 243 N -0.09 0.10 -0.22 5.26 3.07 -1.94 -1.24 115.11 120.05 3hqp h GLN 243 Ca 0.15 -0.08 0.06 0.00 0.09 0.00 0.00 58.65 58.87 3hqp h GLN 243 Cb 0.33 0.02 -0.06 0.00 0.08 0.00 0.00 27.48 27.84 3hqp h GLN 243 CO -0.36 0.72 -0.18 0.78 0.09 0.00 0.00 178.83 179.89 3hqp h GLY 244 N 1.78 -0.05 0.96 0.06 0.00 -1.68 0.14 103.07 104.29 3hqp h GLY 244 Ca -0.01 0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 3hqp h GLY 244 CO 0.09 -0.17 0.17 -2.08 0.00 0.00 0.00 176.54 174.55 3hqp h VAL 245 N -0.18 1.12 -0.75 4.60 2.07 -1.21 -2.56 116.25 119.33 3hqp h VAL 245 Ca 0.13 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3hqp h VAL 245 Cb 0.37 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3hqp h VAL 245 CO -0.33 0.12 0.48 -0.61 0.02 0.00 0.00 177.57 177.26 3hqp h GLN 246 N 0.37 0.93 -0.77 1.57 4.15 -0.94 -2.76 115.11 117.67 3hqp h GLN 246 Ca 0.11 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.38 3hqp h GLN 246 Cb 0.04 -0.21 -0.06 0.00 0.21 0.00 0.00 27.48 27.47 3hqp h GLN 246 CO -0.02 0.62 0.12 0.09 -1.93 0.00 0.00 178.83 177.71 3hqp n ASN 247 N -4.61 4.29 -0.34 -0.69 3.02 0.46 -4.68 115.26 112.71 3hqp n ASN 247 Ca 0.08 -2.81 0.02 0.00 -0.03 0.00 0.00 54.58 51.84 3hqp n ASN 247 Cb 0.06 -0.67 0.16 0.00 -0.61 0.00 0.00 39.78 38.73 3hqp n ASN 247 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3hqp h ILE 248 N 2.42 1.06 0.14 2.41 6.09 -1.15 -1.43 117.51 127.06 3hqp h ILE 248 Ca 0.11 -0.37 -0.01 0.00 -1.37 0.00 0.00 64.86 63.23 3hqp h ILE 248 Cb 1.79 -0.10 0.00 0.00 0.47 0.00 0.00 36.82 38.99 3hqp h ILE 248 CO 0.48 0.19 -0.07 0.44 -3.07 0.00 0.00 178.15 176.12 3hqp h ASP 249 N 1.06 -0.17 0.25 2.19 3.32 -1.86 0.19 116.42 121.41 3hqp h ASP 249 Ca 0.40 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.37 3hqp h ASP 249 Cb 0.18 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3hqp h ASP 249 CO -0.18 -0.12 -0.37 0.77 -1.72 0.00 0.00 179.24 177.62 3hqp h SER 250 N -0.20 0.18 -0.00 6.45 4.64 -1.90 -1.80 113.55 120.92 3hqp h SER 250 Ca -0.02 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3hqp h SER 250 Cb 0.15 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3hqp h SER 250 CO 0.03 0.54 -0.00 0.40 -0.87 0.00 0.00 176.83 176.93 3hqp h ILE 251 N 0.15 1.26 -0.67 0.95 2.04 -1.01 -2.51 117.51 117.72 3hqp h ILE 251 Ca 0.02 -0.75 0.11 0.00 1.00 0.00 0.00 64.86 65.23 3hqp h ILE 251 Cb 0.73 1.76 -0.08 0.00 -0.74 0.00 0.00 36.82 38.49 3hqp h ILE 251 CO 0.06 0.20 0.27 0.40 0.00 0.00 0.00 178.15 179.07 3hqp h ILE 252 N -0.31 0.75 -0.49 -0.67 2.04 -0.54 0.68 117.51 118.97 3hqp h ILE 252 Ca 0.00 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.77 3hqp h ILE 252 Cb 0.32 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 36.61 3hqp h ILE 252 CO 0.00 0.08 0.17 -0.08 0.00 0.00 0.00 178.15 178.32 3hqp h GLU 253 N 0.45 0.33 0.01 2.37 4.57 -1.30 -2.90 114.58 118.11 3hqp h GLU 253 Ca 0.34 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 58.31 3hqp h GLU 253 Cb 0.44 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 3hqp h GLU 253 CO -0.33 0.22 -0.90 0.93 -1.18 0.00 0.00 179.01 177.75 3hqp h GLU 254 N 0.34 0.09 -7.70 1.92 4.39 -0.94 -3.47 114.58 109.21 3hqp h GLU 254 Ca 0.23 -0.11 -0.45 0.00 0.34 0.00 0.00 59.36 59.37 3hqp h GLU 254 Cb 0.25 0.03 0.15 0.00 -0.10 0.00 0.00 28.75 29.08 3hqp h GLU 254 CO -0.24 0.93 0.39 -1.54 -1.16 0.00 0.00 179.01 177.38 3hqp s SER 255 N -6.84 3.35 0.00 1.42 1.04 0.17 -4.96 113.70 107.87 3hqp s SER 255 Ca -0.01 0.50 0.17 0.00 0.48 0.00 0.00 55.95 57.09 3hqp s SER 255 Cb 0.10 -0.73 0.37 0.00 0.10 0.00 0.00 66.02 65.86 3hqp s SER 255 CO 0.82 -2.61 1.29 0.47 0.98 0.00 0.00 173.24 174.19 3hqp n ASP 256 N -3.73 3.13 0.00 7.02 9.92 -0.39 -4.95 116.55 127.56 3hqp n ASP 256 Ca 0.12 -1.91 0.00 0.00 -0.53 0.00 0.00 54.79 52.47 3hqp n ASP 256 Cb 0.60 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 3hqp n ASP 256 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hqp n GLY 257 N 1.06 2.89 3.17 0.44 0.00 -1.25 -4.14 105.19 107.36 3hqp n GLY 257 Ca 0.16 -1.22 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 3hqp n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hqp s ILE 258 N -2.00 1.25 -0.10 -0.61 -1.09 -0.73 -0.78 121.20 117.13 3hqp s ILE 258 Ca 0.00 -1.00 0.01 0.00 -2.23 0.00 0.00 60.65 57.43 3hqp s ILE 258 Cb 0.00 -1.11 -0.02 0.00 -1.58 0.00 0.00 42.46 39.76 3hqp s ILE 258 CO 0.00 0.09 -0.13 -0.32 -1.23 0.00 0.00 174.94 173.34 3hqp s MET 259 N -1.06 3.09 -0.91 2.79 -2.45 -0.30 -1.25 119.30 119.21 3hqp s MET 259 Ca 0.03 -0.68 -0.20 0.00 -1.25 0.00 0.00 55.69 53.59 3hqp s MET 259 Cb -0.08 -2.55 0.10 0.00 1.25 0.00 0.00 34.83 33.56 3hqp s MET 259 CO 0.01 0.36 1.17 0.08 1.05 0.00 0.00 175.02 177.69 3hqp s VAL 260 N -0.02 4.49 -1.22 10.11 1.01 0.59 -0.88 120.40 134.48 3hqp s VAL 260 Ca -0.03 -1.21 -0.18 0.00 0.00 0.00 0.00 61.98 60.56 3hqp s VAL 260 Cb -0.14 -4.83 0.09 0.00 0.00 0.00 0.00 36.38 31.51 3hqp s VAL 260 CO 0.04 -1.60 1.60 0.00 0.00 0.00 0.00 175.10 175.14 3hqp s ALA 261 N 3.39 3.41 0.27 5.51 0.00 -0.81 -2.70 121.76 130.84 3hqp s ALA 261 Ca 0.34 -2.94 0.05 0.00 0.00 0.00 0.00 51.96 49.41 3hqp s ALA 261 Cb -0.05 -4.48 0.37 0.00 0.00 0.00 0.00 23.12 18.95 3hqp s ALA 261 CO -0.07 -3.20 1.65 0.00 0.00 0.00 0.00 175.76 174.15 3hqp h ARG 262 N 7.81 0.28 -0.02 0.00 3.08 -1.82 -1.71 114.38 122.01 3hqp h ARG 262 Ca 0.37 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.28 3hqp h ARG 262 Cb 0.90 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 3hqp h ARG 262 CO 1.39 0.69 -0.20 0.78 -1.07 0.00 0.00 179.97 181.56 3hqp h GLY 263 N 1.26 -1.34 1.17 0.04 0.00 -1.86 0.41 103.07 102.75 3hqp h GLY 263 Ca 0.01 0.65 -0.10 0.00 0.00 0.00 0.00 47.33 47.89 3hqp h GLY 263 CO 0.07 -0.43 -0.07 -0.55 0.00 0.00 0.00 176.54 175.56 3hqp h ASP 264 N -0.23 0.98 -0.85 0.19 3.32 -1.87 -3.14 116.42 114.83 3hqp h ASP 264 Ca 0.01 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 56.80 3hqp h ASP 264 Cb 0.26 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 3hqp h ASP 264 CO -0.14 1.07 0.54 0.25 -1.72 0.00 0.00 179.24 179.23 3hqp h LEU 265 N 0.89 0.88 -2.38 1.55 6.46 -1.15 -0.89 115.31 120.66 3hqp h LEU 265 Ca 0.15 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 3hqp h LEU 265 Cb 0.62 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 3hqp h LEU 265 CO 0.04 0.59 0.19 1.23 -0.62 0.00 0.00 178.44 179.88 3hqp h GLY 266 N 1.03 0.00 0.00 3.75 0.00 -0.12 0.13 103.07 107.85 3hqp h GLY 266 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.32 3hqp h GLY 266 CO -0.13 0.00 -2.33 -0.62 0.00 0.00 0.00 176.54 173.46 3hqp n VAL 267 N -3.22 1.34 -0.25 4.60 0.31 -0.78 -3.55 118.33 116.78 3hqp n VAL 267 Ca -0.01 -0.50 -0.06 0.00 -0.01 0.00 0.00 64.34 63.76 3hqp n VAL 267 Cb 0.27 -1.37 0.05 0.00 -0.91 0.00 0.00 33.84 31.88 3hqp n VAL 267 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3hqp h GLU 268 N -0.08 1.00 -6.30 5.55 4.39 -0.93 -3.43 114.58 114.79 3hqp h GLU 268 Ca -0.53 -0.16 -0.60 0.00 0.34 0.00 0.00 59.36 58.42 3hqp h GLU 268 Cb 1.78 -0.17 -0.13 0.00 -0.10 0.00 0.00 28.75 30.13 3hqp h GLU 268 CO -0.11 0.81 -0.71 0.96 -1.16 0.00 0.00 179.01 178.80 3hqp s ILE 269 N -5.65 3.04 0.27 3.13 -4.36 0.42 -4.73 121.20 113.33 3hqp s ILE 269 Ca -0.13 -1.99 -0.30 0.00 -0.26 0.00 0.00 60.65 57.97 3hqp s ILE 269 Cb 0.14 -2.58 -0.13 0.00 1.25 0.00 0.00 42.46 41.15 3hqp s ILE 269 CO 0.81 -0.29 1.41 -2.65 0.24 0.00 0.00 174.94 174.45 3hqp n PRO 270 N -0.49 2.16 -0.31 0.37 -0.02 -1.26 -4.39 135.00 131.05 3hqp n PRO 270 Ca -0.08 0.77 0.09 0.00 -2.02 0.00 0.00 63.50 62.26 3hqp n PRO 270 Cb 0.58 -2.43 0.26 0.00 -0.02 0.00 0.00 33.50 31.89 3hqp n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqp h ALA 271 N 3.91 1.40 0.00 3.55 0.00 -1.89 -0.09 119.26 126.14 3hqp h ALA 271 Ca -0.46 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hqp h ALA 271 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hqp h ALA 271 CO 0.73 -0.10 0.00 -0.85 0.00 0.00 0.00 179.25 179.03 3hqp n GLU 272 N -4.86 0.11 0.00 0.00 0.00 -1.26 -2.01 120.64 112.62 3hqp n GLU 272 Ca 0.19 0.21 0.11 0.00 0.00 0.00 0.00 57.16 57.67 3hqp n GLU 272 Cb 0.49 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.50 3hqp n GLU 272 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3hqp n LYS 273 N -1.37 0.18 0.13 3.44 5.02 -0.05 -4.16 118.16 121.34 3hqp n LYS 273 Ca 0.05 -0.13 0.04 0.00 -2.02 0.00 0.00 58.31 56.24 3hqp n LYS 273 Cb 0.13 -1.50 0.44 0.00 -0.02 0.00 0.00 35.03 34.08 3hqp n LYS 273 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hqp h VAL 274 N 0.32 1.14 0.15 -0.18 2.07 -1.47 -1.74 116.25 116.54 3hqp h VAL 274 Ca 0.00 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3hqp h VAL 274 Cb 0.52 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3hqp h VAL 274 CO 0.00 0.18 -0.07 0.58 0.02 0.00 0.00 177.57 178.28 3hqp h VAL 275 N 0.24 0.86 -0.05 2.57 2.07 -1.76 0.14 116.25 120.32 3hqp h VAL 275 Ca 0.05 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.54 3hqp h VAL 275 Cb 0.24 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3hqp h VAL 275 CO 0.01 0.01 -0.03 0.58 0.02 0.00 0.00 177.57 178.16 3hqp h VAL 276 N -0.22 0.90 -0.91 2.57 2.07 -1.76 -2.15 116.25 116.74 3hqp h VAL 276 Ca -0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.58 3hqp h VAL 276 Cb 0.17 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 3hqp h VAL 276 CO 0.03 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.19 3hqp h ALA 277 N 1.02 1.30 -0.10 1.67 0.00 -1.23 -1.33 119.26 120.58 3hqp h ALA 277 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hqp h ALA 277 Cb 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3hqp h ALA 277 CO -0.07 0.27 0.06 0.37 0.00 0.00 0.00 179.25 179.88 3hqp h GLN 278 N 0.98 0.14 -0.62 0.00 4.15 -0.47 -0.45 115.11 118.85 3hqp h GLN 278 Ca 0.42 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.81 3hqp h GLN 278 Cb 0.28 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 3hqp h GLN 278 CO -0.21 0.12 0.31 0.87 -1.93 0.00 0.00 178.83 178.00 3hqp h LYS 279 N 0.11 0.88 -0.14 1.69 1.57 -1.18 -1.51 116.57 117.99 3hqp h LYS 279 Ca 0.04 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3hqp h LYS 279 Cb 0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3hqp h LYS 279 CO -0.01 0.69 0.01 0.82 -0.57 0.00 0.00 179.45 180.40 3hqp h ILE 280 N 0.85 1.24 0.00 1.86 2.04 -1.11 -2.35 117.51 120.03 3hqp h ILE 280 Ca 0.21 -0.76 -0.16 0.00 1.00 0.00 0.00 64.86 65.15 3hqp h ILE 280 Cb 0.09 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3hqp h ILE 280 CO -0.03 0.22 -0.78 -0.07 0.00 0.00 0.00 178.15 177.50 3hqp h LEU 281 N -0.00 0.00 -0.25 1.44 3.38 -1.04 -0.94 115.31 117.90 3hqp h LEU 281 Ca 0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3hqp h LEU 281 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3hqp h LEU 281 CO 0.00 0.78 -0.26 0.40 0.09 0.00 0.00 178.44 179.45 3hqp h ILE 282 N 0.00 1.31 -0.15 1.22 2.04 -1.34 -2.79 117.51 117.81 3hqp h ILE 282 Ca -0.01 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.41 3hqp h ILE 282 Cb 1.44 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 3hqp h ILE 282 CO 0.10 0.45 0.03 0.28 0.00 0.00 0.00 178.15 179.01 3hqp h SER 283 N 0.33 0.23 -0.91 1.72 0.02 -1.25 -0.81 113.55 112.89 3hqp h SER 283 Ca 0.04 -0.25 0.07 0.00 -0.84 0.00 0.00 61.79 60.81 3hqp h SER 283 Cb 0.82 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.24 3hqp h SER 283 CO 0.06 0.42 0.59 0.11 -1.14 0.00 0.00 176.83 176.87 3hqp h LYS 284 N 0.03 0.97 -0.40 3.45 1.57 -1.26 0.96 116.57 121.89 3hqp h LYS 284 Ca 0.05 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 3hqp h LYS 284 Cb 0.29 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3hqp h LYS 284 CO 0.00 0.64 -0.36 0.00 -0.57 0.00 0.00 179.45 179.16 3hqp h ASN 286 N 0.77 0.42 -0.51 0.00 -0.26 -0.46 0.13 115.58 115.67 3hqp h ASN 286 Ca 0.07 -0.04 -0.06 0.00 -0.56 0.00 0.00 56.30 55.71 3hqp h ASN 286 Cb 0.96 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 38.09 3hqp h ASN 286 CO 0.09 0.33 0.10 0.58 -1.06 0.00 0.00 177.43 177.47 3hqp h VAL 287 N 0.46 1.25 0.00 2.81 2.07 -0.82 -2.82 116.25 119.19 3hqp h VAL 287 Ca 0.13 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3hqp h VAL 287 Cb -0.01 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3hqp h VAL 287 CO -0.02 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.89 3hqp h ALA 288 N 0.98 1.00 -0.79 1.67 0.00 -1.10 -3.48 119.26 117.55 3hqp h ALA 288 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3hqp h ALA 288 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hqp h ALA 288 CO 0.01 0.00 -0.10 0.41 0.00 0.00 0.00 179.25 179.57 3hqp n GLY 289 N 0.36 0.31 3.39 0.00 0.00 0.29 -5.06 105.19 104.48 3hqp n GLY 289 Ca 0.03 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 3hqp n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqp s LYS 290 N -4.39 2.17 0.37 1.61 1.02 -0.29 -4.81 119.74 115.42 3hqp s LYS 290 Ca 0.02 -0.90 -0.27 0.00 0.02 0.00 0.00 55.97 54.84 3hqp s LYS 290 Cb -0.01 -2.16 -0.11 0.00 -0.52 0.00 0.00 37.83 35.03 3hqp s LYS 290 CO 0.03 0.57 1.28 -0.35 -0.92 0.00 0.00 175.35 175.96 3hqp n PRO 291 N 2.13 2.07 -4.31 -1.68 -0.04 -1.26 -4.39 135.00 127.52 3hqp n PRO 291 Ca -0.16 0.73 -0.18 0.00 -0.04 0.00 0.00 63.50 63.84 3hqp n PRO 291 Cb 0.52 -2.35 -0.15 0.00 -0.04 0.00 0.00 33.50 31.47 3hqp n PRO 291 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hqp s VAL 292 N -1.13 0.64 -0.10 0.52 0.11 -1.26 -1.78 120.40 117.41 3hqp s VAL 292 Ca 0.57 -0.32 0.04 0.00 -2.93 0.00 0.00 61.98 59.34 3hqp s VAL 292 Cb -0.54 -0.56 -0.00 0.00 -1.53 0.00 0.00 36.38 33.75 3hqp s VAL 292 CO 0.61 0.19 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.71 3hqp s ILE 293 N -0.02 2.02 -0.13 7.04 1.01 -0.38 -1.60 121.20 129.16 3hqp s ILE 293 Ca 0.01 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.50 3hqp s ILE 293 Cb -0.05 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 3hqp s ILE 293 CO -0.00 0.55 0.36 0.00 0.00 0.00 0.00 174.94 175.85 3hqp s ALA 295 N 0.26 0.78 0.00 0.00 0.00 -1.10 -1.80 121.76 119.91 3hqp s ALA 295 Ca 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3hqp s ALA 295 Cb -0.14 0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.98 3hqp s ALA 295 CO 0.07 0.03 0.00 2.41 0.00 0.00 0.00 175.76 178.27 3hqp n THR 296 N 1.35 -0.92 -1.53 0.00 -1.04 -1.26 -3.36 114.28 107.52 3hqp n THR 296 Ca -0.22 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.61 3hqp n THR 296 Cb 0.55 -0.92 -0.08 0.00 -1.82 0.00 0.00 70.33 68.06 3hqp n THR 296 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hqp n GLN 297 N 0.39 -1.51 -0.16 -2.82 6.02 -1.26 -4.78 117.38 113.26 3hqp n GLN 297 Ca 0.00 1.14 -0.09 0.00 -0.01 0.00 0.00 57.00 58.04 3hqp n GLN 297 Cb 0.00 -5.53 0.00 0.00 1.02 0.00 0.00 30.24 25.73 3hqp n GLN 297 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3hqp h MET 298 N 0.00 0.72 -0.74 -1.09 2.86 -1.87 -3.27 114.93 111.54 3hqp h MET 298 Ca -0.37 -0.16 -0.39 0.00 -2.06 0.00 0.00 59.70 56.72 3hqp h MET 298 Cb 1.31 -0.10 -0.41 0.00 0.06 0.00 0.00 31.60 32.45 3hqp h MET 298 CO 0.54 0.69 -0.99 1.28 1.06 0.00 0.00 176.91 179.49 3hqp n LEU 299 N -4.53 2.96 -0.12 1.22 4.77 -1.26 -4.63 117.00 115.40 3hqp n LEU 299 Ca 0.01 -3.91 -0.05 0.00 -0.03 0.00 0.00 56.01 52.03 3hqp n LEU 299 Cb 0.19 0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3hqp n LEU 299 CO 0.39 1.58 0.79 -0.08 -1.33 0.00 0.00 177.39 178.74 3hqp h GLU 300 N 2.53 0.01 0.00 3.23 4.57 -1.96 -1.23 114.58 121.73 3hqp h GLU 300 Ca 0.08 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3hqp h GLU 300 Cb 1.30 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 3hqp h GLU 300 CO 0.48 0.01 0.00 0.66 -1.18 0.00 0.00 179.01 178.98 3hqp h SER 301 N 0.01 0.00 0.00 1.04 4.64 -1.93 -0.70 113.55 116.61 3hqp h SER 301 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3hqp h SER 301 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3hqp h SER 301 CO -0.41 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.78 3hqp n MET 302 N -3.00 0.82 0.18 4.77 2.81 -0.46 -1.25 117.12 120.98 3hqp n MET 302 Ca -0.02 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.90 3hqp n MET 302 Cb 0.09 -1.23 0.31 0.00 -0.71 0.00 0.00 33.22 31.68 3hqp n MET 302 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3hqp h THR 303 N 0.00 1.14 0.00 2.03 2.02 -1.27 -3.37 112.91 113.46 3hqp h THR 303 Ca 0.00 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.58 3hqp h THR 303 Cb 0.00 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 3hqp h THR 303 CO 0.00 0.43 -0.82 -1.22 0.37 0.00 0.00 175.52 174.28 3hqp n TYR 304 N -3.76 0.00 -4.55 3.16 4.02 -0.92 -1.12 117.16 113.99 3hqp n TYR 304 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.58 3hqp n TYR 304 Cb 0.50 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.70 3hqp n TYR 304 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3hqp s ASN 305 N -1.65 3.69 0.39 7.72 0.02 -0.38 -4.94 114.94 119.78 3hqp s ASN 305 Ca 0.00 -0.52 0.28 0.00 -1.02 0.00 0.00 52.86 51.60 3hqp s ASN 305 Cb 0.00 -0.50 1.14 0.00 0.02 0.00 0.00 41.25 41.91 3hqp s ASN 305 CO 0.00 0.22 1.83 1.55 0.02 0.00 0.00 177.10 180.73 3hqp h PRO 306 N 4.26 0.00 -5.03 -0.60 0.13 -1.88 -3.38 132.00 125.50 3hqp h PRO 306 Ca -0.49 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.24 3hqp h PRO 306 Cb 1.16 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.04 3hqp h PRO 306 CO 0.46 0.00 -0.78 1.03 -0.23 0.00 0.00 178.00 178.48 3hqp s ARG 307 N -3.46 0.81 0.66 0.86 0.52 -1.26 -4.93 118.95 112.14 3hqp s ARG 307 Ca 0.03 -0.63 -0.10 0.00 -0.52 0.00 0.00 55.73 54.51 3hqp s ARG 307 Cb 0.09 -0.77 0.01 0.00 0.52 0.00 0.00 34.95 34.80 3hqp s ARG 307 CO 0.46 0.19 1.03 -1.25 0.02 0.00 0.00 175.30 175.75 3hqp s PRO 308 N -0.95 2.94 0.77 3.54 0.04 -1.26 -4.63 135.00 135.46 3hqp s PRO 308 Ca 0.00 0.33 -0.12 0.00 0.04 0.00 0.00 61.00 61.26 3hqp s PRO 308 Cb -0.07 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.42 3hqp s PRO 308 CO 0.01 -0.88 1.13 0.95 0.04 0.00 0.00 177.00 178.25 3hqp s THR 309 N -3.22 2.76 0.14 1.26 -4.23 -1.26 -4.94 115.64 106.14 3hqp s THR 309 Ca 0.56 0.25 -0.13 0.00 -1.18 0.00 0.00 61.69 61.19 3hqp s THR 309 Cb -0.11 -3.20 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 3hqp s THR 309 CO 0.50 -0.32 1.56 0.03 -0.54 0.00 0.00 174.62 175.85 3hqp h ARG 310 N -0.92 0.84 -0.43 3.99 2.47 -2.00 -2.55 114.38 115.77 3hqp h ARG 310 Ca -0.46 -0.30 0.07 0.00 -1.26 0.00 0.00 59.98 58.02 3hqp h ARG 310 Cb 1.29 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.53 3hqp h ARG 310 CO 0.64 0.93 0.29 0.00 0.56 0.00 0.00 179.97 182.39 3hqp h ALA 311 N 0.88 2.01 -0.04 0.04 0.00 -1.99 -1.79 119.26 118.37 3hqp h ALA 311 Ca 0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3hqp h ALA 311 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hqp h ALA 311 CO 0.04 -0.09 -0.30 0.93 0.00 0.00 0.00 179.25 179.82 3hqp h GLU 312 N 0.31 0.28 0.12 0.00 5.08 -1.73 -1.23 114.58 117.41 3hqp h GLU 312 Ca 0.19 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3hqp h GLU 312 Cb 0.37 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3hqp h GLU 312 CO -0.04 0.91 -0.15 0.28 -1.00 0.00 0.00 179.01 179.00 3hqp h VAL 313 N -0.27 0.66 -0.62 3.13 2.07 -1.33 -2.04 116.25 117.85 3hqp h VAL 313 Ca -0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.62 3hqp h VAL 313 Cb 0.98 0.66 -0.12 0.00 -1.52 0.00 0.00 31.29 31.28 3hqp h VAL 313 CO 0.06 0.00 -0.19 -1.28 0.02 0.00 0.00 177.57 176.18 3hqp h SER 314 N -0.31 -0.69 -0.36 0.57 0.87 -1.36 -1.82 113.55 110.44 3hqp h SER 314 Ca 0.01 0.20 0.07 0.00 -1.23 0.00 0.00 61.79 60.84 3hqp h SER 314 Cb 0.31 0.42 -0.06 0.00 -0.44 0.00 0.00 62.40 62.64 3hqp h SER 314 CO -0.06 -0.23 -0.03 -0.78 -0.53 0.00 0.00 176.83 175.20 3hqp h ASP 315 N -0.03 -0.22 -0.63 6.23 3.58 -0.74 0.36 116.42 124.97 3hqp h ASP 315 Ca 0.29 0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.77 3hqp h ASP 315 Cb 0.48 0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.69 3hqp h ASP 315 CO -0.66 -0.07 0.13 0.58 -2.88 0.00 0.00 179.24 176.35 3hqp h VAL 316 N 0.06 1.26 -0.04 2.25 2.07 -0.69 -1.85 116.25 119.31 3hqp h VAL 316 Ca 0.18 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3hqp h VAL 316 Cb 0.26 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3hqp h VAL 316 CO -0.33 0.36 0.02 0.00 0.02 0.00 0.00 177.57 177.64 3hqp h ALA 317 N 1.04 0.05 0.00 1.67 0.00 -0.99 -2.90 119.26 118.14 3hqp h ALA 317 Ca 0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3hqp h ALA 317 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hqp h ALA 317 CO 0.01 -0.38 -0.18 -0.91 0.00 0.00 0.00 179.25 177.79 3hqp h ASN 318 N -0.08 0.00 -0.56 0.00 2.35 -0.85 -1.58 115.58 114.86 3hqp h ASN 318 Ca 0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3hqp h ASN 318 Cb 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3hqp h ASN 318 CO -0.00 0.18 0.23 0.00 -1.65 0.00 0.00 177.43 176.18 3hqp h ALA 319 N 1.82 0.72 -0.44 -0.83 0.00 -1.14 0.15 119.26 119.54 3hqp h ALA 319 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3hqp h ALA 319 Cb 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hqp h ALA 319 CO 0.02 0.33 0.15 0.28 0.00 0.00 0.00 179.25 180.03 3hqp h VAL 320 N 0.76 1.21 -0.81 0.00 2.07 -1.26 -2.66 116.25 115.57 3hqp h VAL 320 Ca 0.19 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3hqp h VAL 320 Cb 0.19 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3hqp h VAL 320 CO -0.02 0.25 0.45 -0.26 0.02 0.00 0.00 177.57 178.01 3hqp h PHE 321 N 0.57 1.10 -0.25 1.57 0.04 -1.16 -2.35 116.94 116.47 3hqp h PHE 321 Ca 0.14 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.90 3hqp h PHE 321 Cb 0.24 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 3hqp h PHE 321 CO 0.01 0.76 0.16 -0.91 -0.60 0.00 0.00 178.31 177.73 3hqp h ASN 322 N 1.13 0.28 0.00 2.17 -0.26 -0.43 -3.46 115.58 115.01 3hqp h ASN 322 Ca 0.29 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 3hqp h ASN 322 Cb 0.02 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 3hqp h ASN 322 CO -0.05 0.20 0.00 0.61 -1.06 0.00 0.00 177.43 177.14 3hqp n GLY 323 N -1.50 1.76 3.75 2.83 0.00 -0.88 -4.61 105.19 106.53 3hqp n GLY 323 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3hqp n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqp s ALA 324 N -2.00 3.46 0.15 4.61 0.00 -1.03 -4.89 121.76 122.06 3hqp s ALA 324 Ca 0.00 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 3hqp s ALA 324 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3hqp s ALA 324 CO 0.00 -0.41 1.54 -0.44 0.00 0.00 0.00 175.76 176.45 3hqp h ASP 325 N 4.55 0.94 -4.30 0.00 5.19 -1.62 -3.45 116.42 117.73 3hqp h ASP 325 Ca -0.46 -0.39 -0.36 0.00 -0.62 0.00 0.00 57.03 55.21 3hqp h ASP 325 Cb 1.22 -0.26 -0.25 0.00 0.18 0.00 0.00 39.33 40.21 3hqp h ASP 325 CO 0.71 1.12 -0.76 0.00 -3.12 0.00 0.00 179.24 177.19 3hqp s VAL 327 N -0.72 3.14 0.05 0.00 -7.23 -0.62 -0.74 120.40 114.28 3hqp s VAL 327 Ca -0.01 -1.49 0.07 0.00 -1.81 0.00 0.00 61.98 58.73 3hqp s VAL 327 Cb -0.06 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 3hqp s VAL 327 CO 0.00 0.02 -0.19 -0.32 -0.31 0.00 0.00 175.10 174.30 3hqp s MET 328 N -2.43 1.26 -0.11 4.82 0.00 -0.75 -1.37 119.30 120.72 3hqp s MET 328 Ca 0.22 -0.94 0.00 0.00 0.00 0.00 0.00 55.69 54.97 3hqp s MET 328 Cb -0.10 -1.37 -0.02 0.00 0.00 0.00 0.00 34.83 33.34 3hqp s MET 328 CO 0.13 0.34 -0.11 -0.51 0.00 0.00 0.00 175.02 174.88 3hqp s LEU 329 N -1.27 2.88 0.00 4.11 1.43 0.14 -4.29 118.68 121.68 3hqp s LEU 329 Ca 0.06 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3hqp s LEU 329 Cb -0.09 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.49 3hqp s LEU 329 CO 0.02 0.23 0.00 -1.20 0.23 0.00 0.00 176.35 175.63 3hqp n SER 330 N 3.11 0.00 -0.30 2.29 7.64 -1.26 -1.55 113.62 123.55 3hqp n SER 330 Ca -0.18 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.71 3hqp n SER 330 Cb 0.53 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.93 3hqp n SER 330 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hqp h GLY 331 N 0.00 1.27 -0.78 0.23 0.00 -1.97 -1.79 103.07 100.03 3hqp h GLY 331 Ca 0.00 -0.44 0.38 0.00 0.00 0.00 0.00 47.33 47.27 3hqp h GLY 331 CO 0.00 0.40 0.85 0.83 0.00 0.00 0.00 176.54 178.62 3hqp h GLU 332 N 1.13 0.15 0.00 4.80 3.07 -1.90 -1.19 114.58 120.64 3hqp h GLU 332 Ca 0.35 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 3hqp h GLU 332 Cb -0.02 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3hqp h GLU 332 CO -0.10 0.10 -1.50 0.25 -1.40 0.00 0.00 179.01 176.36 3hqp n THR 333 N -4.51 0.05 -0.00 1.13 -2.24 -1.08 -3.82 114.28 103.82 3hqp n THR 333 Ca 0.32 -0.26 -0.17 0.00 -2.27 0.00 0.00 64.05 61.68 3hqp n THR 333 Cb 1.29 0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 69.59 3hqp n THR 333 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hqp h ALA 334 N 0.94 0.05 0.00 6.98 0.00 -0.66 -3.35 119.26 123.21 3hqp h ALA 334 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3hqp h ALA 334 Cb 0.58 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hqp h ALA 334 CO 0.00 0.26 0.00 0.36 0.00 0.00 0.00 179.25 179.87 3hqp n LYS 335 N -4.31 0.65 -1.85 0.00 2.85 -0.51 -1.91 118.16 113.07 3hqp n LYS 335 Ca -0.10 -0.66 -0.29 0.00 -1.05 0.00 0.00 58.31 56.20 3hqp n LYS 335 Cb 0.63 -0.65 0.09 0.00 -0.65 0.00 0.00 35.03 34.44 3hqp n LYS 335 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3hqp s GLY 336 N -0.24 1.60 0.08 2.58 0.00 -0.93 -4.85 107.32 105.55 3hqp s GLY 336 Ca 0.00 -0.58 0.11 0.00 0.00 0.00 0.00 44.72 44.25 3hqp s GLY 336 CO 0.00 -0.10 1.04 0.50 0.00 0.00 0.00 173.10 174.53 3hqp h LYS 337 N -1.04 0.00 -2.20 2.90 1.57 -1.37 -3.41 116.57 113.02 3hqp h LYS 337 Ca -0.46 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.76 3hqp h LYS 337 Cb 1.32 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.21 3hqp h LYS 337 CO 0.65 0.69 -0.80 0.66 -0.57 0.00 0.00 179.45 180.08 3hqp n TYR 338 N -3.18 2.90 0.17 -1.35 4.01 -1.26 -4.96 117.16 113.49 3hqp n TYR 338 Ca -0.07 -3.95 -0.15 0.00 -0.16 0.00 0.00 57.90 53.58 3hqp n TYR 338 Cb 0.94 -0.47 -0.07 0.00 -0.31 0.00 0.00 39.34 39.43 3hqp n TYR 338 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3hqp h PRO 339 N 3.04 -0.66 -0.52 -0.72 0.11 -1.80 -0.33 132.00 131.12 3hqp h PRO 339 Ca 0.12 0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.32 3hqp h PRO 339 Cb 0.64 0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.86 3hqp h PRO 339 CO 0.73 -0.44 0.27 -0.91 -0.21 0.00 0.00 178.00 177.44 3hqp h ASN 340 N -0.68 0.40 -0.43 -2.05 2.35 -1.92 -2.74 115.58 110.51 3hqp h ASN 340 Ca 0.00 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 3hqp h ASN 340 Cb 0.66 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 3hqp h ASN 340 CO -0.15 0.28 -0.08 -0.33 -1.65 0.00 0.00 177.43 175.50 3hqp h GLU 341 N 0.53 0.87 -0.53 0.81 3.07 -1.90 -1.16 114.58 116.28 3hqp h GLU 341 Ca 0.23 -0.28 -0.09 0.00 -0.50 0.00 0.00 59.36 58.71 3hqp h GLU 341 Cb 0.12 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 3hqp h GLU 341 CO -0.15 0.92 -0.04 -0.24 -1.40 0.00 0.00 179.01 178.10 3hqp h VAL 342 N 0.79 1.26 -0.14 3.13 3.04 -0.90 0.12 116.25 123.55 3hqp h VAL 342 Ca 0.14 -1.14 -0.04 0.00 -1.01 0.00 0.00 66.70 64.64 3hqp h VAL 342 Cb 0.58 0.90 -0.00 0.00 -2.01 0.00 0.00 31.29 30.75 3hqp h VAL 342 CO 0.04 0.41 -0.08 0.58 -1.01 0.00 0.00 177.57 177.50 3hqp h VAL 343 N 0.85 1.33 -0.79 1.51 2.07 -1.31 -1.48 116.25 118.43 3hqp h VAL 343 Ca 0.15 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.57 3hqp h VAL 343 Cb 0.56 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 3hqp h VAL 343 CO 0.03 0.34 0.48 1.56 0.02 0.00 0.00 177.57 180.00 3hqp h GLN 344 N -0.05 0.85 -0.54 1.57 4.20 -1.11 -0.44 115.11 119.59 3hqp h GLN 344 Ca 0.03 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3hqp h GLN 344 Cb 0.57 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3hqp h GLN 344 CO 0.02 0.56 0.22 1.88 -0.67 0.00 0.00 178.83 180.85 3hqp h TYR 345 N 0.87 0.82 -0.58 2.96 0.05 -0.86 -2.09 116.97 118.13 3hqp h TYR 345 Ca 0.35 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 59.01 3hqp h TYR 345 Cb 0.18 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 3hqp h TYR 345 CO -0.05 0.66 0.12 1.98 -1.05 0.00 0.00 178.16 179.82 3hqp h MET 346 N 0.73 0.94 -0.68 4.88 4.05 -0.82 -1.77 114.93 122.26 3hqp h MET 346 Ca 0.18 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3hqp h MET 346 Cb 0.18 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 3hqp h MET 346 CO -0.02 0.88 0.41 0.00 0.23 0.00 0.00 176.91 178.42 3hqp h ALA 347 N 1.02 0.87 -0.16 0.39 0.00 -1.00 -1.66 119.26 118.72 3hqp h ALA 347 Ca 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hqp h ALA 347 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hqp h ALA 347 CO 0.01 0.35 0.07 -0.09 0.00 0.00 0.00 179.25 179.58 3hqp h ARG 348 N 0.93 0.24 -0.64 0.00 2.43 -1.22 -1.62 114.38 114.51 3hqp h ARG 348 Ca 0.25 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3hqp h ARG 348 Cb -0.02 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3hqp h ARG 348 CO -0.05 0.31 0.25 0.82 -1.51 0.00 0.00 179.97 179.79 3hqp h ILE 349 N 0.11 1.23 -0.76 1.20 2.04 -1.23 -2.13 117.51 117.97 3hqp h ILE 349 Ca 0.05 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 3hqp h ILE 349 Cb 0.16 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3hqp h ILE 349 CO -0.01 0.28 0.29 0.00 0.00 0.00 0.00 178.15 178.72 3hqp h LEU 351 N 1.10 1.01 -0.05 0.00 3.38 -0.97 -2.08 115.31 117.70 3hqp h LEU 351 Ca 0.25 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3hqp h LEU 351 Cb 0.22 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3hqp h LEU 351 CO -0.02 1.16 0.00 -0.08 0.09 0.00 0.00 178.44 179.60 3hqp h GLU 352 N 0.87 0.09 -0.32 1.13 4.57 -1.15 -2.65 114.58 117.13 3hqp h GLU 352 Ca 0.12 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 3hqp h GLU 352 Cb 0.76 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.32 3hqp h GLU 352 CO 0.06 0.35 -0.01 0.00 -1.18 0.00 0.00 179.01 178.23 3hqp h ALA 353 N 0.74 1.40 -0.59 2.92 0.00 -1.22 -1.90 119.26 120.60 3hqp h ALA 353 Ca 0.02 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3hqp h ALA 353 Cb 0.31 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3hqp h ALA 353 CO 0.00 0.42 0.39 0.37 0.00 0.00 0.00 179.25 180.43 3hqp h GLN 354 N 0.47 0.77 -0.53 0.00 4.15 -1.28 -1.24 115.11 117.45 3hqp h GLN 354 Ca 0.10 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.52 3hqp h GLN 354 Cb 0.33 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 3hqp h GLN 354 CO 0.01 0.51 0.27 0.77 -1.93 0.00 0.00 178.83 178.46 3hqp h SER 355 N 0.79 0.38 0.85 -0.69 0.02 -0.97 -2.69 113.55 111.24 3hqp h SER 355 Ca 0.22 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3hqp h SER 355 Cb -0.08 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3hqp h SER 355 CO -0.05 0.26 -0.04 0.00 -1.14 0.00 0.00 176.83 175.87 3hqp n ALA 356 N -2.34 2.46 -2.53 3.77 0.00 -0.75 -4.84 120.51 116.28 3hqp n ALA 356 Ca 0.05 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 3hqp n ALA 356 Cb 0.14 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 3hqp n ALA 356 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hqp s LEU 357 N -2.89 4.34 -0.99 0.00 2.96 -0.54 -4.96 118.68 116.60 3hqp s LEU 357 Ca 0.17 1.84 -0.18 0.00 -0.22 0.00 0.00 54.13 55.75 3hqp s LEU 357 Cb 0.19 -3.57 0.14 0.00 0.50 0.00 0.00 46.19 43.45 3hqp s LEU 357 CO 0.52 -0.44 1.20 0.21 -1.32 0.00 0.00 176.35 176.53 3hqp s ASN 358 N 1.14 6.73 0.50 3.68 3.84 -1.26 -4.86 114.94 124.71 3hqp s ASN 358 Ca 0.56 -2.25 0.28 0.00 0.21 0.00 0.00 52.86 51.66 3hqp s ASN 358 Cb -0.25 -2.40 1.26 0.00 -0.55 0.00 0.00 41.25 39.31 3hqp s ASN 358 CO 0.26 -1.00 1.97 -0.33 -2.79 0.00 0.00 177.10 175.21 3hqp h GLU 359 N 8.47 0.00 -0.07 0.43 3.07 -1.93 -2.57 114.58 121.98 3hqp h GLU 359 Ca 0.19 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.99 3hqp h GLU 359 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 3hqp h GLU 359 CO 1.14 0.14 -0.21 -0.92 -1.40 0.00 0.00 179.01 177.76 3hqp h TYR 360 N 0.00 0.36 -0.12 4.33 3.20 -1.89 -0.84 116.97 122.01 3hqp h TYR 360 Ca -0.00 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3hqp h TYR 360 Cb 0.53 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3hqp h TYR 360 CO 0.00 0.83 0.07 0.28 -1.64 0.00 0.00 178.16 177.70 3hqp h VAL 361 N -0.22 1.03 -0.67 1.81 2.07 -1.94 -1.76 116.25 116.57 3hqp h VAL 361 Ca -0.01 -0.05 0.14 0.00 0.82 0.00 0.00 66.70 67.60 3hqp h VAL 361 Cb 0.83 0.86 -0.12 0.00 -1.52 0.00 0.00 31.29 31.34 3hqp h VAL 361 CO 0.05 0.03 -0.08 0.15 0.02 0.00 0.00 177.57 177.74 3hqp h PHE 362 N 0.15 -0.19 0.18 1.57 -0.00 -1.51 0.16 116.94 117.30 3hqp h PHE 362 Ca 0.04 0.05 0.01 0.00 -0.00 0.00 0.00 57.97 58.08 3hqp h PHE 362 Cb -0.02 0.19 -0.04 0.00 -0.00 0.00 0.00 35.95 36.08 3hqp h PHE 362 CO -0.07 -0.24 -0.40 0.35 -0.00 0.00 0.00 178.31 177.95 3hqp h PHE 363 N 0.05 -1.10 -0.30 0.41 3.57 -0.62 -2.28 116.94 116.67 3hqp h PHE 363 Ca 0.34 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.76 3hqp h PHE 363 Cb 0.55 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 3hqp h PHE 363 CO -0.46 -0.51 -0.25 -0.91 -2.23 0.00 0.00 178.31 173.95 3hqp h ASN 364 N -0.67 0.60 -0.76 0.41 2.35 -0.82 -1.53 115.58 115.16 3hqp h ASN 364 Ca 0.01 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.52 3hqp h ASN 364 Cb 0.67 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 3hqp h ASN 364 CO -0.20 0.84 0.35 0.28 -1.65 0.00 0.00 177.43 177.05 3hqp h SER 365 N 0.52 1.01 -0.04 5.81 0.02 -0.65 -1.49 113.55 118.72 3hqp h SER 365 Ca 0.07 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 3hqp h SER 365 Cb 0.71 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3hqp h SER 365 CO 0.05 0.87 -0.08 0.40 -1.14 0.00 0.00 176.83 176.94 3hqp h ILE 366 N 1.08 1.42 -0.68 3.27 2.04 -1.11 -3.17 117.51 120.36 3hqp h ILE 366 Ca 0.26 -1.37 0.15 0.00 1.00 0.00 0.00 64.86 64.89 3hqp h ILE 366 Cb 0.14 2.23 -0.11 0.00 -0.74 0.00 0.00 36.82 38.35 3hqp h ILE 366 CO -0.03 0.37 0.09 0.50 0.00 0.00 0.00 178.15 179.08 3hqp h LYS 367 N -0.38 0.19 0.00 2.37 3.64 -1.23 -1.81 116.57 119.35 3hqp h LYS 367 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3hqp h LYS 367 Cb 0.64 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3hqp h LYS 367 CO 0.02 0.12 -0.03 0.87 -2.27 0.00 0.00 179.45 178.17 3hqp h LYS 368 N 0.19 0.00 -0.02 1.90 6.56 -1.25 -2.72 116.57 121.24 3hqp h LYS 368 Ca 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.96 3hqp h LYS 368 Cb 0.62 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 3hqp h LYS 368 CO -0.52 0.03 -0.14 1.28 -2.06 0.00 0.00 179.45 178.03 3hqp n LEU 369 N -3.96 1.70 -4.75 2.94 4.77 -0.68 -4.89 117.00 112.13 3hqp n LEU 369 Ca -0.03 -0.56 -0.40 0.00 -0.03 0.00 0.00 56.01 55.00 3hqp n LEU 369 Cb 0.11 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 3hqp n LEU 369 CO 0.29 0.30 0.50 -1.10 -1.33 0.00 0.00 177.39 176.05 3hqp s GLN 370 N -2.21 4.54 0.22 3.23 -1.52 -1.03 -5.02 119.66 117.87 3hqp s GLN 370 Ca 0.29 1.14 -0.32 0.00 -1.95 0.00 0.00 55.36 54.53 3hqp s GLN 370 Cb 0.20 -3.34 -0.12 0.00 -0.22 0.00 0.00 33.01 29.53 3hqp s GLN 370 CO 0.42 0.36 1.66 1.58 -0.25 0.00 0.00 175.29 179.05 3hqp n HIS 371 N 2.45 2.65 -4.22 0.91 -0.00 -1.26 -4.99 115.22 110.76 3hqp n HIS 371 Ca -0.03 0.14 -0.34 0.00 -0.00 0.00 0.00 57.72 57.49 3hqp n HIS 371 Cb 0.50 -2.62 -0.10 0.00 -0.00 0.00 0.00 29.99 27.76 3hqp n HIS 371 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3hqp s ILE 372 N 0.82 4.41 0.39 3.57 -1.09 -1.26 -3.60 121.20 124.45 3hqp s ILE 372 Ca 0.73 -0.18 -0.24 0.00 -2.23 0.00 0.00 60.65 58.73 3hqp s ILE 372 Cb -0.54 -2.93 -0.09 0.00 -1.58 0.00 0.00 42.46 37.31 3hqp s ILE 372 CO 0.37 0.52 1.03 -2.16 -1.23 0.00 0.00 174.94 173.47 3hqp s PRO 373 N -0.04 4.22 0.60 2.79 0.04 -1.26 -5.17 135.00 136.17 3hqp s PRO 373 Ca 0.04 1.46 -0.14 0.00 0.04 0.00 0.00 61.00 62.40 3hqp s PRO 373 Cb -0.13 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 3hqp s PRO 373 CO 0.02 -0.08 1.04 -1.64 0.04 0.00 0.00 177.00 176.37 3hqp s MET 374 N -2.49 3.41 0.81 4.56 -1.94 -1.24 -5.05 119.30 117.36 3hqp s MET 374 Ca 0.57 1.03 -0.12 0.00 -1.71 0.00 0.00 55.69 55.47 3hqp s MET 374 Cb -0.21 -2.05 0.08 0.00 2.01 0.00 0.00 34.83 34.66 3hqp s MET 374 CO 0.26 -0.72 1.14 -1.54 -0.01 0.00 0.00 175.02 174.15 3hqp s SER 375 N -3.26 3.90 0.13 3.03 1.04 -1.26 -4.83 113.70 112.44 3hqp s SER 375 Ca 0.60 2.08 -0.20 0.00 0.48 0.00 0.00 55.95 58.91 3hqp s SER 375 Cb -0.13 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 3hqp s SER 375 CO 0.42 -2.45 1.74 0.00 0.98 0.00 0.00 173.24 173.93 3hqp h ALA 376 N -1.14 0.19 -0.16 5.32 0.00 -1.97 -1.60 119.26 119.91 3hqp h ALA 376 Ca -0.44 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 3hqp h ALA 376 Cb 1.26 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3hqp h ALA 376 CO 0.48 -0.40 -0.30 0.38 0.00 0.00 0.00 179.25 179.41 3hqp h ASP 377 N 0.11 0.30 -0.58 0.00 2.03 -1.94 -1.76 116.42 114.59 3hqp h ASP 377 Ca 0.09 -0.10 -0.10 0.00 -0.73 0.00 0.00 57.03 56.19 3hqp h ASP 377 Cb 0.08 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 3hqp h ASP 377 CO -0.12 0.60 -0.01 -0.08 -1.03 0.00 0.00 179.24 178.60 3hqp h GLU 378 N 0.26 1.03 -0.43 4.15 4.81 -1.79 -2.13 114.58 120.49 3hqp h GLU 378 Ca 0.04 -0.34 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 3hqp h GLU 378 Cb 0.67 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3hqp h GLU 378 CO 0.05 1.03 -0.11 0.00 -0.73 0.00 0.00 179.01 179.25 3hqp h ALA 379 N 0.97 1.00 -0.86 2.92 0.00 -1.19 -2.10 119.26 120.01 3hqp h ALA 379 Ca 0.16 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3hqp h ALA 379 Cb 0.57 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3hqp h ALA 379 CO 0.03 0.60 0.55 0.28 0.00 0.00 0.00 179.25 180.70 3hqp h VAL 380 N 0.69 1.08 -0.07 0.00 2.07 -1.12 -0.41 116.25 118.50 3hqp h VAL 380 Ca 0.12 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 3hqp h VAL 380 Cb 0.59 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3hqp h VAL 380 CO 0.04 0.19 -0.21 0.00 0.02 0.00 0.00 177.57 177.61 3hqp h SER 382 N -0.23 -0.16 0.11 0.00 0.87 -1.31 -2.16 113.55 110.67 3hqp h SER 382 Ca -0.01 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.41 3hqp h SER 382 Cb 0.82 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 3hqp h SER 382 CO 0.04 0.00 -0.15 0.28 -0.53 0.00 0.00 176.83 176.48 3hqp h SER 383 N -0.32 0.08 0.10 6.23 0.02 -1.14 -0.89 113.55 117.64 3hqp h SER 383 Ca -0.02 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.76 3hqp h SER 383 Cb 0.25 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3hqp h SER 383 CO 0.03 0.24 -0.57 0.00 -1.14 0.00 0.00 176.83 175.39 3hqp h ALA 384 N 1.77 0.71 -0.27 3.77 0.00 -0.96 0.54 119.26 124.83 3hqp h ALA 384 Ca 0.02 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 3hqp h ALA 384 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hqp h ALA 384 CO 0.02 0.70 -0.08 0.28 0.00 0.00 0.00 179.25 180.17 3hqp h VAL 385 N 0.37 1.29 -0.75 0.00 2.07 -1.24 -2.27 116.25 115.72 3hqp h VAL 385 Ca 0.00 -1.12 0.12 0.00 0.82 0.00 0.00 66.70 66.52 3hqp h VAL 385 Cb 1.11 1.46 -0.09 0.00 -1.52 0.00 0.00 31.29 32.26 3hqp h VAL 385 CO 0.10 0.35 0.35 -1.13 0.02 0.00 0.00 177.57 177.26 3hqp h ASN 386 N 0.28 0.40 -0.63 0.57 -1.24 -0.80 0.31 115.58 114.46 3hqp h ASN 386 Ca 0.07 0.09 0.13 0.00 0.71 0.00 0.00 56.30 57.29 3hqp h ASN 386 Cb 0.57 0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.61 3hqp h ASN 386 CO 0.03 0.19 0.43 0.28 -1.29 0.00 0.00 177.43 177.07 3hqp h SER 387 N 0.54 0.27 -0.14 1.15 0.02 -0.72 -1.84 113.55 112.82 3hqp h SER 387 Ca 0.40 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.34 3hqp h SER 387 Cb 0.53 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 3hqp h SER 387 CO -0.34 0.15 0.02 0.58 -1.14 0.00 0.00 176.83 176.09 3hqp h VAL 388 N 0.29 1.23 -0.43 2.27 2.07 0.19 -2.47 116.25 119.39 3hqp h VAL 388 Ca 0.30 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 3hqp h VAL 388 Cb 0.78 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3hqp h VAL 388 CO -0.07 0.22 0.04 1.88 0.02 0.00 0.00 177.57 179.66 3hqp h TYR 389 N 0.01 0.79 0.00 1.57 0.05 -1.11 0.84 116.97 119.10 3hqp h TYR 389 Ca 0.04 -0.12 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 3hqp h TYR 389 Cb 0.32 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 3hqp h TYR 389 CO 0.02 0.77 -0.14 0.93 -1.05 0.00 0.00 178.16 178.69 3hqp h GLU 390 N 0.58 0.00 0.00 4.88 5.08 -1.34 -3.19 114.58 120.59 3hqp h GLU 390 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3hqp h GLU 390 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3hqp h GLU 390 CO 0.01 0.14 -0.54 -2.37 -1.00 0.00 0.00 179.01 175.25 3hqp n THR 391 N -4.02 0.00 -3.56 1.13 5.66 -0.93 -5.01 114.28 107.55 3hqp n THR 391 Ca -0.02 -0.30 -0.22 0.00 -3.05 0.00 0.00 64.05 60.46 3hqp n THR 391 Cb 0.23 0.85 0.08 0.00 -1.55 0.00 0.00 70.33 69.94 3hqp n THR 391 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3hqp n LYS 392 N -1.29 -7.31 -2.22 1.09 5.02 0.20 -4.93 118.16 108.72 3hqp n LYS 392 Ca 0.01 0.82 -0.40 0.00 -2.02 0.00 0.00 58.31 56.71 3hqp n LYS 392 Cb 0.12 -5.84 -0.03 0.00 -0.02 0.00 0.00 35.03 29.27 3hqp n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqp s ALA 393 N -3.34 3.46 -2.02 7.82 0.00 -0.68 -4.81 121.76 122.18 3hqp s ALA 393 Ca 0.37 1.15 0.23 0.00 0.00 0.00 0.00 51.96 53.71 3hqp s ALA 393 Cb -0.16 -3.43 0.10 0.00 0.00 0.00 0.00 23.12 19.62 3hqp s ALA 393 CO 0.74 -0.50 1.15 1.63 0.00 0.00 0.00 175.76 178.78 3hqp n LYS 394 N 0.87 1.18 -3.78 0.00 5.02 -1.01 -4.75 118.16 115.69 3hqp n LYS 394 Ca -0.00 -0.95 -0.09 0.00 -2.02 0.00 0.00 58.31 55.25 3hqp n LYS 394 Cb 0.43 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 3hqp n LYS 394 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqp s ALA 395 N -2.47 -0.95 -0.01 7.82 0.00 -1.25 -4.24 121.76 120.66 3hqp s ALA 395 Ca 0.19 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.88 3hqp s ALA 395 Cb 0.18 0.89 0.00 0.00 0.00 0.00 0.00 23.12 24.19 3hqp s ALA 395 CO 0.56 -0.87 -0.04 1.41 0.00 0.00 0.00 175.76 176.83 3hqp s MET 396 N -3.90 0.37 -0.10 0.00 1.75 -0.71 -2.42 119.30 114.29 3hqp s MET 396 Ca 0.11 -0.13 0.03 0.00 -1.25 0.00 0.00 55.69 54.45 3hqp s MET 396 Cb -0.02 -0.38 0.01 0.00 2.84 0.00 0.00 34.83 37.27 3hqp s MET 396 CO 0.01 0.06 -0.20 0.08 -0.65 0.00 0.00 175.02 174.31 3hqp s VAL 397 N 0.07 1.81 -0.04 10.11 1.01 -0.39 0.89 120.40 133.86 3hqp s VAL 397 Ca -0.00 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3hqp s VAL 397 Cb -0.04 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.76 3hqp s VAL 397 CO -0.00 0.50 -0.09 0.54 0.00 0.00 0.00 175.10 176.05 3hqp s VAL 398 N 0.57 0.84 -0.18 2.92 0.11 -0.19 -0.36 120.40 124.10 3hqp s VAL 398 Ca -0.15 -0.36 -0.21 0.00 -2.93 0.00 0.00 61.98 58.33 3hqp s VAL 398 Cb -0.17 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 3hqp s VAL 398 CO 0.05 0.27 0.65 -0.76 -3.33 0.00 0.00 175.10 171.98 3hqp s LEU 399 N 0.36 4.17 -0.17 2.54 1.43 -0.88 -0.85 118.68 125.28 3hqp s LEU 399 Ca -0.06 0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 53.88 3hqp s LEU 399 Cb -0.11 -2.94 0.07 0.00 0.03 0.00 0.00 46.19 43.25 3hqp s LEU 399 CO 0.01 -0.25 0.37 -0.55 0.23 0.00 0.00 176.35 176.16 3hqp s SER 400 N 1.12 -0.19 -0.16 2.29 0.15 -0.99 -4.79 113.70 111.13 3hqp s SER 400 Ca 0.30 0.84 0.01 0.00 0.70 0.00 0.00 55.95 57.81 3hqp s SER 400 Cb -0.16 0.98 -0.23 0.00 -1.71 0.00 0.00 66.02 64.90 3hqp s SER 400 CO 0.11 -0.22 0.21 0.59 1.20 0.00 0.00 173.24 175.13 3hqp n ASN 401 N 4.99 1.67 0.06 5.45 3.02 -1.26 -4.05 115.26 125.14 3hqp n ASN 401 Ca -0.13 0.12 0.12 0.00 -0.03 0.00 0.00 54.58 54.65 3hqp n ASN 401 Cb 0.51 -0.42 0.12 0.00 -0.61 0.00 0.00 39.78 39.39 3hqp n ASN 401 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3hqp h THR 402 N 0.03 0.00 0.00 3.41 1.35 -1.97 -3.41 112.91 112.32 3hqp h THR 402 Ca -0.46 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 3hqp h THR 402 Cb 2.02 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 3hqp h THR 402 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 3hqp n GLY 403 N 1.32 1.90 0.33 5.82 0.00 -1.26 -4.92 105.19 108.39 3hqp n GLY 403 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 3hqp n GLY 403 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hqp h ARG 404 N 2.85 -0.35 -0.97 1.61 3.08 -1.93 -2.13 114.38 116.55 3hqp h ARG 404 Ca 0.00 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.10 3hqp h ARG 404 Cb 0.00 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 3hqp h ARG 404 CO 0.00 -0.23 0.64 0.77 -1.07 0.00 0.00 179.97 180.07 3hqp h SER 405 N -0.36 1.08 -0.31 7.04 0.02 -1.93 -1.74 113.55 117.35 3hqp h SER 405 Ca 0.11 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3hqp h SER 405 Cb 0.54 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3hqp h SER 405 CO -0.39 0.76 0.06 0.00 -1.14 0.00 0.00 176.83 176.11 3hqp h ALA 406 N 1.42 0.40 -0.86 3.77 0.00 -1.81 -1.78 119.26 120.41 3hqp h ALA 406 Ca 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hqp h ALA 406 Cb -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3hqp h ALA 406 CO -0.10 0.09 0.45 0.00 0.00 0.00 0.00 179.25 179.69 3hqp h ARG 407 N 0.33 1.21 -0.82 0.00 3.08 -1.14 -0.66 114.38 116.38 3hqp h ARG 407 Ca 0.09 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3hqp h ARG 407 Cb 0.33 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3hqp h ARG 407 CO 0.00 0.90 0.52 1.25 -1.07 0.00 0.00 179.97 181.57 3hqp h LEU 408 N 1.21 0.97 -0.02 3.04 5.85 -1.10 -0.01 115.31 125.24 3hqp h LEU 408 Ca 0.30 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 3hqp h LEU 408 Cb 0.06 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 40.85 3hqp h LEU 408 CO -0.04 0.73 -0.36 0.58 -0.34 0.00 0.00 178.44 179.00 3hqp h VAL 409 N 1.12 1.47 -0.01 1.05 2.07 -1.11 -3.22 116.25 117.63 3hqp h VAL 409 Ca 0.30 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.92 3hqp h VAL 409 Cb -0.08 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 3hqp h VAL 409 CO -0.06 0.54 0.01 0.00 0.02 0.00 0.00 177.57 178.07 3hqp h ALA 410 N 0.33 1.96 -0.81 1.67 0.00 -1.01 -1.56 119.26 119.84 3hqp h ALA 410 Ca -0.04 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.11 3hqp h ALA 410 Cb 1.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3hqp h ALA 410 CO 0.07 -0.01 0.58 -0.22 0.00 0.00 0.00 179.25 179.68 3hqp h LYS 411 N 0.00 0.01 -0.39 0.00 3.64 -1.00 -1.98 116.57 116.85 3hqp h LYS 411 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hqp h LYS 411 Cb 0.02 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3hqp h LYS 411 CO -0.00 0.01 0.00 0.66 -2.27 0.00 0.00 179.45 177.85 3hqp n TYR 412 N -4.30 0.51 -3.69 1.91 4.01 -0.59 -4.99 117.16 110.03 3hqp n TYR 412 Ca 0.17 -0.26 -0.26 0.00 -0.16 0.00 0.00 57.90 57.39 3hqp n TYR 412 Cb 0.87 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.92 3hqp n TYR 412 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3hqp n ARG 413 N 0.87 -1.19 -1.26 -0.72 5.12 -0.75 -4.33 116.66 114.41 3hqp n ARG 413 Ca 0.17 0.68 -0.31 0.00 -1.93 0.00 0.00 57.85 56.46 3hqp n ARG 413 Cb 0.43 -3.42 0.09 0.00 -1.16 0.00 0.00 32.46 28.40 3hqp n ARG 413 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3hqp s PRO 414 N -5.32 2.25 -0.48 5.56 0.04 -1.26 -4.53 135.00 131.26 3hqp s PRO 414 Ca 0.22 1.17 0.03 0.00 0.04 0.00 0.00 61.00 62.46 3hqp s PRO 414 Cb -0.09 -1.90 0.61 0.00 0.04 0.00 0.00 34.50 33.17 3hqp s PRO 414 CO 0.88 -1.65 1.92 0.27 0.04 0.00 0.00 177.00 178.45 3hqp n ASN 415 N -3.53 4.44 -3.91 6.66 6.94 -1.26 -4.90 115.26 119.70 3hqp n ASN 415 Ca 0.09 -3.60 -0.09 0.00 -0.02 0.00 0.00 54.58 50.96 3hqp n ASN 415 Cb 0.53 -0.86 -0.08 0.00 -2.36 0.00 0.00 39.78 37.01 3hqp n ASN 415 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hqp n PRO 417 N -0.04 1.62 -4.09 0.00 -0.02 -1.26 -4.82 135.00 126.39 3hqp n PRO 417 Ca -0.14 0.59 -0.34 0.00 -2.02 0.00 0.00 63.50 61.58 3hqp n PRO 417 Cb 0.62 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 3hqp n PRO 417 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hqp s ILE 418 N -1.29 4.55 -0.38 4.25 1.01 -1.04 -1.73 121.20 126.56 3hqp s ILE 418 Ca 0.67 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 61.17 3hqp s ILE 418 Cb -0.46 -3.04 0.09 0.00 0.01 0.00 0.00 42.46 39.05 3hqp s ILE 418 CO 0.53 0.46 0.16 -0.69 0.00 0.00 0.00 174.94 175.40 3hqp s VAL 419 N 0.44 3.33 -0.06 2.92 1.01 0.26 -0.98 120.40 127.31 3hqp s VAL 419 Ca 0.01 -1.79 -0.26 0.00 0.00 0.00 0.00 61.98 59.95 3hqp s VAL 419 Cb -0.13 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3hqp s VAL 419 CO 0.01 -0.51 0.80 0.00 0.00 0.00 0.00 175.10 175.40 3hqp s VAL 421 N 1.06 4.02 0.07 0.00 1.01 -0.03 -0.40 120.40 126.13 3hqp s VAL 421 Ca 0.42 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.13 3hqp s VAL 421 Cb -0.18 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3hqp s VAL 421 CO 0.20 0.32 -0.16 0.28 0.00 0.00 0.00 175.10 175.74 3hqp s THR 422 N 1.56 1.27 -2.55 3.92 -1.32 -0.24 -2.34 115.64 115.94 3hqp s THR 422 Ca 0.06 -1.30 0.23 0.00 -1.21 0.00 0.00 61.69 59.47 3hqp s THR 422 Cb -0.15 -1.19 0.39 0.00 -1.51 0.00 0.00 72.50 70.04 3hqp s THR 422 CO 0.02 -0.13 1.42 0.35 -2.21 0.00 0.00 174.62 174.07 3hqp n THR 423 N 1.37 0.32 -3.89 5.08 -2.24 -1.26 0.26 114.28 113.91 3hqp n THR 423 Ca -0.20 -0.60 -0.28 0.00 -2.27 0.00 0.00 64.05 60.71 3hqp n THR 423 Cb 0.54 0.95 -0.17 0.00 -2.10 0.00 0.00 70.33 69.55 3hqp n THR 423 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hqp s ARG 424 N -1.68 1.45 0.31 -0.78 0.52 -1.26 -4.72 118.95 112.79 3hqp s ARG 424 Ca 0.35 -0.43 0.01 0.00 -0.52 0.00 0.00 55.73 55.14 3hqp s ARG 424 Cb 0.21 -1.87 0.55 0.00 0.52 0.00 0.00 34.95 34.36 3hqp s ARG 424 CO 0.30 -0.38 1.94 1.25 0.02 0.00 0.00 175.30 178.43 3hqp h LEU 425 N 8.14 0.87 -1.44 2.53 5.85 -1.95 -0.87 115.31 128.44 3hqp h LEU 425 Ca -0.26 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3hqp h LEU 425 Cb 1.12 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3hqp h LEU 425 CO 0.40 0.58 0.28 -0.61 -0.34 0.00 0.00 178.44 178.75 3hqp h GLN 426 N 1.00 0.66 -0.47 1.25 4.15 -1.97 -1.46 115.11 118.27 3hqp h GLN 426 Ca 0.35 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 3hqp h GLN 426 Cb 0.11 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3hqp h GLN 426 CO -0.11 0.47 0.27 1.15 -1.93 0.00 0.00 178.83 178.68 3hqp h THR 427 N 0.67 1.15 -0.75 2.39 2.02 -1.46 0.27 112.91 117.20 3hqp h THR 427 Ca 0.17 -0.37 0.12 0.00 0.77 0.00 0.00 66.41 67.11 3hqp h THR 427 Cb -0.01 0.55 -0.08 0.00 -1.74 0.00 0.00 68.15 66.87 3hqp h THR 427 CO -0.03 0.16 0.35 0.00 0.37 0.00 0.00 175.52 176.36 3hqp h ARG 429 N 0.55 0.56 0.00 0.00 3.08 -0.89 -3.27 114.38 114.41 3hqp h ARG 429 Ca 0.39 -0.41 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3hqp h ARG 429 Cb 0.50 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3hqp h ARG 429 CO -0.33 1.03 -0.33 1.96 -1.07 0.00 0.00 179.97 181.23 3hqp h GLN 430 N 0.19 0.00 0.00 0.04 4.20 -0.03 -1.27 115.11 118.24 3hqp h GLN 430 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3hqp h GLN 430 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3hqp h GLN 430 CO 0.10 0.33 0.00 1.28 -0.67 0.00 0.00 178.83 179.87 3hqp n LEU 431 N -4.05 0.00 0.00 1.46 4.77 -0.12 -3.31 117.00 115.75 3hqp n LEU 431 Ca -0.02 0.22 0.09 0.00 -0.03 0.00 0.00 56.01 56.27 3hqp n LEU 431 Cb 0.38 -0.22 0.45 0.00 -2.33 0.00 0.00 43.42 41.70 3hqp n LEU 431 CO 0.38 -0.08 0.76 0.59 -1.33 0.00 0.00 177.39 177.70 3hqp n ASN 432 N -1.22 0.00 -0.80 -1.43 4.13 -0.48 -1.71 115.26 113.75 3hqp n ASN 432 Ca 0.10 -0.02 0.08 0.00 1.68 0.00 0.00 54.58 56.42 3hqp n ASN 432 Cb 0.13 -0.26 0.17 0.00 -1.54 0.00 0.00 39.78 38.29 3hqp n ASN 432 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3hqp n ILE 433 N -1.26 0.75 -3.67 2.41 -5.35 -1.21 -4.73 119.36 106.29 3hqp n ILE 433 Ca 0.09 -0.87 -0.38 0.00 -0.27 0.00 0.00 62.75 61.32 3hqp n ILE 433 Cb 0.13 0.71 -0.12 0.00 -1.74 0.00 0.00 39.64 38.62 3hqp n ILE 433 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3hqp s THR 434 N -1.07 4.69 -0.09 7.28 2.01 -0.69 -4.65 115.64 123.12 3hqp s THR 434 Ca 0.28 -0.18 -0.40 0.00 0.31 0.00 0.00 61.69 61.70 3hqp s THR 434 Cb 0.15 -3.28 -0.18 0.00 0.01 0.00 0.00 72.50 69.20 3hqp s THR 434 CO 0.21 0.21 1.34 1.67 -0.69 0.00 0.00 174.62 177.36 3hqp n GLN 435 N 4.98 0.53 -1.73 4.92 0.00 -1.26 -3.65 117.38 121.18 3hqp n GLN 435 Ca -0.15 0.19 -0.05 0.00 -0.00 0.00 0.00 57.00 57.00 3hqp n GLN 435 Cb 0.51 -1.77 -0.01 0.00 0.00 0.00 0.00 30.24 28.97 3hqp n GLN 435 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hqp n GLY 436 N 2.63 0.39 3.12 1.69 0.00 0.11 -4.86 105.19 108.26 3hqp n GLY 436 Ca 0.22 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 3hqp n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hqp s VAL 437 N -2.22 1.24 -0.01 1.61 1.01 -1.24 -2.49 120.40 118.30 3hqp s VAL 437 Ca 0.00 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.41 3hqp s VAL 437 Cb 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 3hqp s VAL 437 CO 0.00 0.36 -0.23 -1.61 0.00 0.00 0.00 175.10 173.62 3hqp s GLU 438 N -0.15 1.82 -0.09 2.72 2.02 -0.16 -4.94 118.70 119.92 3hqp s GLU 438 Ca 0.01 -0.85 -0.01 0.00 0.02 0.00 0.00 54.97 54.14 3hqp s GLU 438 Cb -0.08 -1.79 -0.03 0.00 0.10 0.00 0.00 34.13 32.33 3hqp s GLU 438 CO 0.00 0.49 -0.01 -1.12 0.02 0.00 0.00 175.26 174.64 3hqp s SER 439 N -0.63 5.13 -0.19 -0.19 0.01 -1.26 0.14 113.70 116.70 3hqp s SER 439 Ca 0.09 0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.47 3hqp s SER 439 Cb -0.09 -1.44 0.03 0.00 0.21 0.00 0.00 66.02 64.73 3hqp s SER 439 CO -0.00 0.37 -0.18 -0.69 0.41 0.00 0.00 173.24 173.15 3hqp s VAL 440 N -0.83 2.05 0.02 3.43 1.01 0.46 -4.96 120.40 121.59 3hqp s VAL 440 Ca 0.13 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 3hqp s VAL 440 Cb -0.11 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3hqp s VAL 440 CO 0.02 0.42 0.97 0.12 0.00 0.00 0.00 175.10 176.63 3hqp s PHE 441 N 1.27 3.69 -0.28 5.22 5.36 -1.26 -1.08 117.98 130.90 3hqp s PHE 441 Ca 0.02 1.71 -0.01 0.00 -0.96 0.00 0.00 56.93 57.68 3hqp s PHE 441 Cb -0.14 -3.10 0.04 0.00 -0.34 0.00 0.00 43.02 39.48 3hqp s PHE 441 CO -0.11 0.04 -0.03 0.12 -1.46 0.00 0.00 175.22 173.78 3hqp s PHE 442 N 0.78 3.18 -0.86 10.12 5.36 0.14 -4.91 117.98 131.79 3hqp s PHE 442 Ca 0.50 -1.76 -0.25 0.00 -0.96 0.00 0.00 56.93 54.46 3hqp s PHE 442 Cb -0.21 -2.08 0.03 0.00 -0.34 0.00 0.00 43.02 40.41 3hqp s PHE 442 CO 0.28 -0.78 1.47 0.34 -1.46 0.00 0.00 175.22 175.08 3hqp s ASP 443 N 1.28 6.11 0.59 6.13 -1.08 -1.26 -4.21 116.67 124.23 3hqp s ASP 443 Ca -0.03 -0.81 0.34 0.00 -0.52 0.00 0.00 52.55 51.53 3hqp s ASP 443 Cb -0.18 -2.56 1.85 0.00 -1.46 0.00 0.00 42.92 40.56 3hqp s ASP 443 CO -0.03 -1.85 2.20 0.00 0.52 0.00 0.00 175.17 176.02 3hqp h ALA 444 N 10.54 1.21 -0.19 3.66 0.00 -1.85 -0.27 119.26 132.36 3hqp h ALA 444 Ca -0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3hqp h ALA 444 Cb 1.04 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hqp h ALA 444 CO 1.33 0.05 -0.31 -0.44 0.00 0.00 0.00 179.25 179.88 3hqp h ASP 445 N 0.00 0.61 0.78 0.00 5.19 -1.88 -1.39 116.42 119.73 3hqp h ASP 445 Ca -0.00 -0.53 -0.00 0.00 -0.62 0.00 0.00 57.03 55.88 3hqp h ASP 445 Cb 0.18 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3hqp h ASP 445 CO 0.01 1.02 -1.22 2.29 -3.12 0.00 0.00 179.24 178.21 3hqp n LYS 446 N -4.34 0.62 -0.05 3.56 2.85 -1.05 -4.39 118.16 115.37 3hqp n LYS 446 Ca -0.06 0.06 0.06 0.00 -1.05 0.00 0.00 58.31 57.32 3hqp n LYS 446 Cb 0.48 -1.76 0.08 0.00 -0.65 0.00 0.00 35.03 33.18 3hqp n LYS 446 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3hqp n LEU 447 N -2.59 2.29 0.00 -5.58 4.77 -0.14 -5.11 117.00 110.64 3hqp n LEU 447 Ca -0.01 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 3hqp n LEU 447 Cb 0.56 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3hqp n LEU 447 CO 0.41 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3hqp n GLY 448 N 0.71 -1.37 0.12 -0.72 0.00 -0.52 -4.66 105.19 98.74 3hqp n GLY 448 Ca 0.09 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.65 3hqp n GLY 448 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hqp h HIS 449 N 0.00 0.00 -5.96 1.61 3.86 -1.96 -3.40 115.15 109.29 3hqp h HIS 449 Ca 0.00 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.84 3hqp h HIS 449 Cb 0.00 0.00 0.12 0.00 1.06 0.00 0.00 27.41 28.59 3hqp h HIS 449 CO 0.00 0.00 -0.90 -3.47 0.86 0.00 0.00 177.93 174.42 3hqp n ASP 450 N -2.33 -4.99 0.17 2.45 2.03 -1.26 -4.90 116.55 107.71 3hqp n ASP 450 Ca 0.05 -0.89 0.02 0.00 0.52 0.00 0.00 54.79 54.50 3hqp n ASP 450 Cb 0.43 -4.06 0.37 0.00 -0.72 0.00 0.00 41.12 37.14 3hqp n ASP 450 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3hqp h GLU 451 N -1.64 0.07 -0.00 -0.67 9.09 -1.99 -2.09 114.58 117.34 3hqp h GLU 451 Ca -0.64 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.75 3hqp h GLU 451 Cb 1.34 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.44 3hqp h GLU 451 CO 0.48 0.37 -0.02 0.41 0.05 0.00 0.00 179.01 180.30 3hqp n GLY 452 N -0.60 -1.01 3.73 1.06 0.00 -1.26 -4.87 105.19 102.24 3hqp n GLY 452 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3hqp n GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hqp n LYS 453 N -1.00 0.00 0.01 1.61 4.76 -0.79 -4.87 118.16 117.89 3hqp n LYS 453 Ca 0.19 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.62 3hqp n LYS 453 Cb 0.20 -3.09 0.27 0.00 -1.84 0.00 0.00 35.03 30.58 3hqp n LYS 453 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3hqp h GLU 454 N 1.29 0.48 0.02 1.97 3.07 -1.92 -1.61 114.58 117.89 3hqp h GLU 454 Ca 0.00 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 58.73 3hqp h GLU 454 Cb 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 3hqp h GLU 454 CO 0.00 0.58 -0.01 0.45 -1.40 0.00 0.00 179.01 178.63 3hqp h HIS 455 N 0.45 -0.03 -0.10 4.33 3.86 -1.91 -0.87 115.15 120.88 3hqp h HIS 455 Ca 0.09 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 3hqp h HIS 455 Cb 0.44 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 3hqp h HIS 455 CO 0.01 0.57 -0.09 0.00 0.86 0.00 0.00 177.93 179.29 3hqp h ARG 456 N -0.66 -0.11 -0.47 2.45 3.08 -1.91 -0.87 114.38 115.89 3hqp h ARG 456 Ca -0.00 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.14 3hqp h ARG 456 Cb 0.61 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.62 3hqp h ARG 456 CO 0.00 -0.07 0.06 0.28 -1.07 0.00 0.00 179.97 179.18 3hqp h VAL 457 N -0.11 0.70 -0.79 2.04 2.07 -1.34 -0.86 116.25 117.97 3hqp h VAL 457 Ca 0.07 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.61 3hqp h VAL 457 Cb 0.21 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3hqp h VAL 457 CO -0.17 0.03 0.52 0.00 0.02 0.00 0.00 177.57 177.97 3hqp h ALA 458 N 1.39 1.72 -0.09 1.67 0.00 -0.64 -1.56 119.26 121.75 3hqp h ALA 458 Ca 0.24 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.90 3hqp h ALA 458 Cb 0.33 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3hqp h ALA 458 CO -0.34 0.13 -0.87 0.00 0.00 0.00 0.00 179.25 178.17 3hqp h ALA 459 N 1.59 0.22 0.03 0.00 0.00 0.08 -0.39 119.26 120.80 3hqp h ALA 459 Ca 0.36 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hqp h ALA 459 Cb 0.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hqp h ALA 459 CO -0.13 0.66 -0.02 0.78 0.00 0.00 0.00 179.25 180.54 3hqp h GLY 460 N 0.45 -0.05 0.73 0.00 0.00 -0.93 -0.92 103.07 102.35 3hqp h GLY 460 Ca -0.08 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.30 3hqp h GLY 460 CO 0.18 -0.02 0.11 -2.08 0.00 0.00 0.00 176.54 174.73 3hqp h VAL 461 N -0.07 0.91 -0.76 4.60 2.07 -1.34 -1.53 116.25 120.12 3hqp h VAL 461 Ca -0.00 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.46 3hqp h VAL 461 Cb 0.06 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 3hqp h VAL 461 CO 0.01 0.05 0.48 -0.08 0.02 0.00 0.00 177.57 178.05 3hqp h GLU 462 N 0.26 0.92 -0.84 1.57 4.57 -0.95 -0.58 114.58 119.53 3hqp h GLU 462 Ca 0.15 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3hqp h GLU 462 Cb 0.11 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 3hqp h GLU 462 CO -0.15 0.61 0.48 0.35 -1.18 0.00 0.00 179.01 179.12 3hqp h PHE 463 N 0.94 1.13 -0.58 0.92 3.57 -0.99 -0.11 116.94 121.83 3hqp h PHE 463 Ca 0.31 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 3hqp h PHE 463 Cb 0.01 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.36 3hqp h PHE 463 CO -0.03 0.77 0.21 0.00 -2.23 0.00 0.00 178.31 177.03 3hqp h ALA 464 N 1.26 1.29 -0.15 2.41 0.00 -0.35 -0.75 119.26 122.97 3hqp h ALA 464 Ca 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hqp h ALA 464 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hqp h ALA 464 CO -0.05 0.52 -0.01 0.87 0.00 0.00 0.00 179.25 180.58 3hqp h LYS 465 N 0.83 0.26 -0.06 0.00 1.57 -0.67 -1.32 116.57 117.18 3hqp h LYS 465 Ca 0.19 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3hqp h LYS 465 Cb 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3hqp h LYS 465 CO -0.02 0.51 -0.28 0.66 -0.57 0.00 0.00 179.45 179.76 3hqp h SER 466 N -0.01 0.11 1.08 0.86 4.64 -0.59 -0.56 113.55 119.08 3hqp h SER 466 Ca 0.04 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hqp h SER 466 Cb 0.40 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3hqp h SER 466 CO 0.01 0.39 -0.12 0.29 -0.87 0.00 0.00 176.83 176.53 3hqp n LYS 467 N -4.17 0.11 -0.56 4.77 4.76 -0.33 -4.95 118.16 117.80 3hqp n LYS 467 Ca -0.02 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 3hqp n LYS 467 Cb 0.35 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 3hqp n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hqp n GLY 468 N 1.42 0.73 0.19 0.72 0.00 -0.22 -4.96 105.19 103.09 3hqp n GLY 468 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 3hqp n GLY 468 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hqp h TYR 469 N 0.00 0.32 -4.14 1.61 0.05 -1.47 -3.44 116.97 109.89 3hqp h TYR 469 Ca 0.00 -0.09 -0.53 0.00 0.05 0.00 0.00 58.73 58.16 3hqp h TYR 469 Cb 0.00 -0.07 -0.26 0.00 1.01 0.00 0.00 36.73 37.41 3hqp h TYR 469 CO 0.00 0.67 -0.82 0.14 -1.05 0.00 0.00 178.16 177.10 3hqp s VAL 470 N -4.08 1.43 0.51 -2.88 -7.23 -1.15 -4.68 120.40 102.32 3hqp s VAL 470 Ca -0.05 -1.06 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 3hqp s VAL 470 Cb 0.13 -1.25 -0.01 0.00 0.56 0.00 0.00 36.38 35.81 3hqp s VAL 470 CO 0.78 0.16 0.01 -1.10 -0.31 0.00 0.00 175.10 174.64 3hqp s GLN 471 N -1.05 2.19 0.29 4.82 -0.21 -1.26 -4.42 119.66 120.03 3hqp s GLN 471 Ca 0.05 -2.41 -0.29 0.00 0.02 0.00 0.00 55.36 52.74 3hqp s GLN 471 Cb -0.08 -1.48 -0.13 0.00 1.00 0.00 0.00 33.01 32.32 3hqp s GLN 471 CO 0.01 -0.38 1.27 2.41 -2.12 0.00 0.00 175.29 176.48 3hqp n THR 472 N -1.26 1.60 -0.00 -0.19 -1.04 -1.26 -2.45 114.28 109.68 3hqp n THR 472 Ca -0.19 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 3hqp n THR 472 Cb 0.67 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 3hqp n THR 472 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hqp n GLY 473 N 1.38 1.07 3.85 3.41 0.00 -0.71 -5.00 105.19 109.18 3hqp n GLY 473 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3hqp n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hqp s ASP 474 N -2.71 6.53 -0.03 1.61 1.01 -1.02 -4.80 116.67 117.25 3hqp s ASP 474 Ca 0.00 1.53 -0.16 0.00 0.71 0.00 0.00 52.55 54.62 3hqp s ASP 474 Cb 0.00 -2.50 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 3hqp s ASP 474 CO 0.00 -0.65 0.45 -0.31 0.21 0.00 0.00 175.17 174.86 3hqp s TYR 475 N -2.76 3.67 -0.15 4.23 2.02 -1.26 -1.22 117.35 121.88 3hqp s TYR 475 Ca 0.58 0.99 0.01 0.00 -0.37 0.00 0.00 57.07 58.28 3hqp s TYR 475 Cb -0.10 -2.39 0.02 0.00 -0.40 0.00 0.00 41.96 39.08 3hqp s TYR 475 CO 0.37 0.49 -0.17 0.00 -1.57 0.00 0.00 175.55 174.66 3hqp s VAL 477 N 1.22 4.99 -0.10 0.00 1.01 -1.02 -1.36 120.40 125.15 3hqp s VAL 477 Ca 0.01 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 62.62 3hqp s VAL 477 Cb -0.14 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3hqp s VAL 477 CO -0.08 -0.13 -0.08 -0.69 0.00 0.00 0.00 175.10 174.12 3hqp s VAL 478 N 2.47 3.59 -0.09 2.92 1.01 0.38 -1.26 120.40 129.41 3hqp s VAL 478 Ca 0.22 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3hqp s VAL 478 Cb -0.15 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.74 3hqp s VAL 478 CO 0.12 0.55 -0.14 -0.63 0.00 0.00 0.00 175.10 175.01 3hqp s ILE 479 N -0.25 1.34 0.00 2.22 1.01 0.51 -1.06 121.20 124.97 3hqp s ILE 479 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3hqp s ILE 479 Cb -0.13 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.11 3hqp s ILE 479 CO 0.03 0.41 0.00 0.00 0.00 0.00 0.00 174.94 175.37 3hqp n HIS 480 N 4.14 -0.22 -2.94 3.97 1.44 -1.05 -2.08 115.22 118.48 3hqp n HIS 480 Ca -0.20 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.26 3hqp n HIS 480 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 3hqp n HIS 480 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hqp s ALA 481 N -1.00 3.57 1.00 1.59 0.00 -1.26 -1.02 121.76 124.64 3hqp s ALA 481 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 3hqp s ALA 481 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.79 3hqp s ALA 481 CO 0.00 -0.29 0.00 -0.40 0.00 0.00 0.00 175.76 175.07 3hqp n ASP 482 N -2.10 -0.07 0.04 0.00 5.68 -1.26 -4.86 116.55 113.98 3hqp n ASP 482 Ca -0.01 -0.36 0.13 0.00 -0.50 0.00 0.00 54.79 54.06 3hqp n ASP 482 Cb 0.56 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.07 3hqp n ASP 482 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3hqp n HIS 483 N -0.87 0.30 -0.08 2.11 8.25 -1.26 -4.16 115.22 119.51 3hqp n HIS 483 Ca 0.00 0.09 -0.15 0.00 -0.26 0.00 0.00 57.72 57.40 3hqp n HIS 483 Cb 0.00 -0.65 -0.06 0.00 1.12 0.00 0.00 29.99 30.40 3hqp n HIS 483 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3hqp n LYS 484 N -1.75 0.35 -2.17 -0.41 4.81 -1.26 -5.02 118.16 112.72 3hqp n LYS 484 Ca 0.06 0.13 -0.41 0.00 -0.87 0.00 0.00 58.31 57.22 3hqp n LYS 484 Cb 0.34 -1.14 -0.03 0.00 0.02 0.00 0.00 35.03 34.22 3hqp n LYS 484 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3hqp s VAL 485 N -2.30 3.02 0.04 3.15 1.01 -1.26 -5.04 120.40 119.03 3hqp s VAL 485 Ca -0.22 0.88 0.06 0.00 0.00 0.00 0.00 61.98 62.70 3hqp s VAL 485 Cb 0.08 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3hqp s VAL 485 CO 0.30 0.15 -0.18 -0.54 0.00 0.00 0.00 175.10 174.83 3hqp s LYS 486 N -0.46 1.17 0.00 2.72 -0.14 -1.26 -4.65 119.74 117.13 3hqp s LYS 486 Ca 0.56 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 54.32 3hqp s LYS 486 Cb -0.38 -1.24 0.00 0.00 -1.68 0.00 0.00 37.83 34.53 3hqp s LYS 486 CO 0.41 0.31 0.00 0.41 -0.76 0.00 0.00 175.35 175.73 3hqp n GLY 487 N 1.88 3.38 3.67 -3.33 0.00 -1.26 -5.02 105.19 104.53 3hqp n GLY 487 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 3hqp n GLY 487 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hqp s TYR 488 N -2.95 0.30 -0.25 1.61 -0.85 -1.26 -5.10 117.35 108.84 3hqp s TYR 488 Ca 0.00 -0.71 -0.13 0.00 -0.52 0.00 0.00 57.07 55.71 3hqp s TYR 488 Cb 0.00 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 3hqp s TYR 488 CO 0.00 -1.17 0.27 0.00 -1.52 0.00 0.00 175.55 173.13 3hqp s ALA 489 N -3.57 3.57 -0.98 9.51 0.00 -1.26 -4.34 121.76 124.69 3hqp s ALA 489 Ca 0.20 -0.86 0.10 0.00 0.00 0.00 0.00 51.96 51.40 3hqp s ALA 489 Cb -0.03 -2.52 0.26 0.00 0.00 0.00 0.00 23.12 20.83 3hqp s ALA 489 CO 0.11 -0.43 1.17 0.27 0.00 0.00 0.00 175.76 176.88 3hqp n ASN 490 N 4.80 2.72 -4.06 0.00 6.94 -1.13 -4.10 115.26 120.43 3hqp n ASN 490 Ca -0.12 -1.90 -0.19 0.00 -0.02 0.00 0.00 54.58 52.35 3hqp n ASN 490 Cb 0.51 -0.18 -0.14 0.00 -2.36 0.00 0.00 39.78 37.61 3hqp n ASN 490 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3hqp s GLN 491 N -0.98 0.78 0.06 -3.83 0.74 -0.18 -4.90 119.66 111.33 3hqp s GLN 491 Ca 0.21 -0.46 0.06 0.00 0.05 0.00 0.00 55.36 55.22 3hqp s GLN 491 Cb 0.11 -0.74 -0.03 0.00 1.10 0.00 0.00 33.01 33.45 3hqp s GLN 491 CO 0.15 0.20 -0.18 -0.08 -0.55 0.00 0.00 175.29 174.83 3hqp s THR 492 N -0.45 1.41 -0.05 -0.34 -1.32 -1.26 -2.53 115.64 111.11 3hqp s THR 492 Ca 0.02 -1.21 -0.03 0.00 -1.21 0.00 0.00 61.69 59.26 3hqp s THR 492 Cb -0.05 -1.27 0.02 0.00 -1.51 0.00 0.00 72.50 69.70 3hqp s THR 492 CO 0.00 0.03 0.11 -0.13 -2.21 0.00 0.00 174.62 172.42 3hqp s ARG 493 N -1.38 0.08 -0.45 7.08 0.52 -0.23 -4.99 118.95 119.59 3hqp s ARG 493 Ca 0.04 0.24 -0.16 0.00 -0.52 0.00 0.00 55.73 55.33 3hqp s ARG 493 Cb -0.09 -0.08 0.05 0.00 0.52 0.00 0.00 34.95 35.35 3hqp s ARG 493 CO 0.02 -0.10 0.41 0.42 0.02 0.00 0.00 175.30 176.07 3hqp s ILE 494 N 0.64 5.17 0.09 1.52 1.01 -1.26 -0.47 121.20 127.90 3hqp s ILE 494 Ca -0.05 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 59.91 3hqp s ILE 494 Cb -0.07 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 3hqp s ILE 494 CO -0.03 -0.51 -0.04 -1.48 0.00 0.00 0.00 174.94 172.88 3hqp s LEU 495 N 1.87 3.28 -0.10 2.97 0.05 -0.46 -4.94 118.68 121.35 3hqp s LEU 495 Ca 0.07 -0.26 -0.19 0.00 0.05 0.00 0.00 54.13 53.80 3hqp s LEU 495 Cb -0.21 -2.03 -0.04 0.00 -2.05 0.00 0.00 46.19 41.86 3hqp s LEU 495 CO 0.09 0.18 0.50 -0.22 -0.55 0.00 0.00 176.35 176.36 3hqp s LEU 496 N -2.23 4.30 -0.01 1.48 2.96 -1.26 -0.18 118.68 123.74 3hqp s LEU 496 Ca 0.24 0.89 -0.20 0.00 -0.22 0.00 0.00 54.13 54.84 3hqp s LEU 496 Cb -0.11 -2.74 -0.05 0.00 0.50 0.00 0.00 46.19 43.78 3hqp s LEU 496 CO 0.16 0.02 0.56 0.68 -1.32 0.00 0.00 176.35 176.45 3hqp s VAL 497 N 0.46 4.93 -2.61 1.68 -7.23 -0.36 -4.96 120.40 112.31 3hqp s VAL 497 Ca 0.27 1.18 0.27 0.00 -1.81 0.00 0.00 61.98 61.89 3hqp s VAL 497 Cb -0.16 -3.90 0.47 0.00 0.56 0.00 0.00 36.38 33.35 3hqp s VAL 497 CO 0.12 0.43 1.63 -0.62 -0.31 0.00 0.00 175.10 176.36