#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 0.67 -0.20 4.33 5.75 -2.05 -2.36 115.11 121.25 3hqp h GLN 2 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3hqp h GLN 2 Cb 0.00 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 3hqp h GLN 2 CO 0.00 0.44 0.13 1.25 -2.65 0.00 0.00 178.83 178.00 3hqp h LEU 3 N 0.69 0.23 -1.00 -2.39 6.46 -2.06 -2.21 115.31 115.02 3hqp h LEU 3 Ca 0.34 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 58.03 3hqp h LEU 3 Cb 0.30 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 3hqp h LEU 3 CO -0.23 0.16 0.01 0.00 -0.62 0.00 0.00 178.44 177.76 3hqp h ALA 4 N 1.07 1.17 -0.46 1.25 0.00 -1.98 -2.58 119.26 117.73 3hqp h ALA 4 Ca 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3hqp h ALA 4 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hqp h ALA 4 CO -0.02 0.54 0.15 1.25 0.00 0.00 0.00 179.25 181.17 3hqp h HIS 5 N 0.69 0.67 -0.79 0.00 -0.00 -1.15 -2.93 115.15 111.64 3hqp h HIS 5 Ca 0.14 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 3hqp h HIS 5 Cb 0.41 -0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.58 3hqp h HIS 5 CO 0.02 0.55 0.45 -0.91 -0.00 0.00 0.00 177.93 178.05 3hqp h ASN 6 N 0.66 0.96 0.38 3.26 2.35 -0.99 -2.84 115.58 119.37 3hqp h ASN 6 Ca 0.16 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.77 3hqp h ASN 6 Cb 0.19 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3hqp h ASN 6 CO -0.01 0.76 -0.33 -0.07 -1.65 0.00 0.00 177.43 176.13 3hqp h LEU 7 N 1.10 0.00 -0.00 1.61 3.38 -1.49 -2.69 115.31 117.22 3hqp h LEU 7 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3hqp h LEU 7 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hqp h LEU 7 CO -0.05 0.33 0.00 0.35 0.09 0.00 0.00 178.44 179.16 3hqp n THR 8 N -4.03 0.56 -1.43 0.22 -2.24 -1.08 -4.90 114.28 101.38 3hqp n THR 8 Ca -0.02 -0.27 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 3hqp n THR 8 Cb 0.38 -0.58 0.09 0.00 -2.10 0.00 0.00 70.33 68.11 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 -4.44 3.27 -0.03 3.22 1.43 -1.02 -5.08 118.68 116.04 3hqp s LEU 9 Ca 0.11 2.20 -0.08 0.00 -1.03 0.00 0.00 54.13 55.33 3hqp s LEU 9 Cb 0.13 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.79 3hqp s LEU 9 CO 0.59 -2.16 0.18 -0.55 0.23 0.00 0.00 176.35 174.64 3hqp s SER 10 N -2.34 -0.10 0.10 2.29 0.15 -1.26 -5.06 113.70 107.47 3hqp s SER 10 Ca 0.71 0.09 0.16 0.00 0.70 0.00 0.00 55.95 57.60 3hqp s SER 10 Cb -0.25 0.30 -0.11 0.00 -1.71 0.00 0.00 66.02 64.25 3hqp s SER 10 CO 0.46 -0.24 0.95 0.16 1.20 0.00 0.00 173.24 175.77 3hqp h ILE 11 N 4.48 0.65 -0.00 6.45 3.07 -2.01 -3.36 117.51 126.79 3hqp h ILE 11 Ca -0.28 -2.16 0.00 0.00 1.55 0.00 0.00 64.86 63.97 3hqp h ILE 11 Cb 1.19 2.17 0.00 0.00 -0.27 0.00 0.00 36.82 39.91 3hqp h ILE 11 CO 0.40 0.37 -0.02 0.49 -1.05 0.00 0.00 178.15 178.34 3hqp n PHE 12 N -2.98 0.00 -2.53 0.16 3.72 -1.26 -4.85 117.46 109.71 3hqp n PHE 12 Ca -0.08 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.94 3hqp n PHE 12 Cb 0.84 -0.39 -0.04 0.00 -0.94 0.00 0.00 39.48 38.95 3hqp n PHE 12 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hqp s ASP 13 N -2.79 7.03 0.54 4.37 1.11 -1.26 -5.02 116.67 120.65 3hqp s ASP 13 Ca 0.21 2.13 -0.22 0.00 0.18 0.00 0.00 52.55 54.84 3hqp s ASP 13 Cb 0.20 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.53 3hqp s ASP 13 CO 0.50 -0.30 1.36 -2.84 1.18 0.00 0.00 175.17 175.07 3hqp s PRO 14 N -1.97 3.18 0.94 8.23 0.02 -1.26 -5.03 135.00 139.11 3hqp s PRO 14 Ca 0.51 2.24 -0.15 0.00 0.02 0.00 0.00 61.00 63.62 3hqp s PRO 14 Cb -0.26 -2.28 0.18 0.00 0.02 0.00 0.00 34.50 32.15 3hqp s PRO 14 CO 0.33 -1.16 1.27 0.14 -0.33 0.00 0.00 177.00 177.25 3hqp s VAL 15 N -1.30 1.97 0.79 3.83 -7.23 -1.26 -5.05 120.40 112.15 3hqp s VAL 15 Ca 0.71 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.77 3hqp s VAL 15 Cb -0.41 -2.96 0.07 0.00 0.56 0.00 0.00 36.38 33.65 3hqp s VAL 15 CO 0.48 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 176.37 3hqp s ALA 16 N -3.74 2.16 -1.38 1.32 0.00 -1.26 -4.94 121.76 113.91 3hqp s ALA 16 Ca 0.71 0.33 0.26 0.00 0.00 0.00 0.00 51.96 53.26 3hqp s ALA 16 Cb -0.06 -3.30 1.30 0.00 0.00 0.00 0.00 23.12 21.06 3hqp s ALA 16 CO 0.52 -1.88 1.89 0.27 0.00 0.00 0.00 175.76 176.56 3hqp n ASN 17 N -3.56 0.00 -3.90 0.00 2.04 -1.26 -4.85 115.26 103.73 3hqp n ASN 17 Ca 0.10 -0.02 -0.10 0.00 -0.44 0.00 0.00 54.58 54.12 3hqp n ASN 17 Cb 0.53 -0.31 -0.10 0.00 -2.53 0.00 0.00 39.78 37.37 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 -2.62 0.13 -0.20 -2.53 -0.85 -1.26 -5.04 117.35 104.98 3hqp s TYR 18 Ca 0.23 -0.35 -0.05 0.00 -0.52 0.00 0.00 57.07 56.39 3hqp s TYR 18 Cb 0.18 -0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.39 3hqp s TYR 18 CO 0.41 -0.33 0.01 0.50 -1.52 0.00 0.00 175.55 174.62 3hqp s ARG 19 N -2.06 3.67 -0.02 -3.49 3.52 -1.26 -4.97 118.95 114.35 3hqp s ARG 19 Ca -0.09 -0.50 -0.16 0.00 -0.13 0.00 0.00 55.73 54.85 3hqp s ARG 19 Cb -0.04 -3.09 -0.33 0.00 -1.56 0.00 0.00 34.95 29.92 3hqp s ARG 19 CO -0.02 0.06 0.85 0.00 -0.81 0.00 0.00 175.30 175.38 3hqp h ALA 20 N 7.35 -0.04 -2.65 6.12 0.00 -1.94 -3.43 119.26 124.66 3hqp h ALA 20 Ca -0.35 -0.93 -0.50 0.00 0.00 0.00 0.00 54.91 53.12 3hqp h ALA 20 Cb 1.18 0.27 0.04 0.00 0.00 0.00 0.00 17.79 19.28 3hqp h ALA 20 CO 0.62 0.74 0.47 0.00 0.00 0.00 0.00 179.25 181.08 3hqp s ALA 21 N -2.56 3.09 0.04 0.00 0.00 -1.26 -0.10 121.76 120.97 3hqp s ALA 21 Ca -0.13 0.87 0.03 0.00 0.00 0.00 0.00 51.96 52.73 3hqp s ALA 21 Cb 0.04 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3hqp s ALA 21 CO 0.89 -0.46 0.02 1.03 0.00 0.00 0.00 175.76 177.24 3hqp s ARG 22 N -2.45 2.76 -0.17 0.00 1.81 -0.70 -4.93 118.95 115.26 3hqp s ARG 22 Ca 0.59 -0.68 -0.02 0.00 -1.72 0.00 0.00 55.73 53.89 3hqp s ARG 22 Cb -0.27 -2.66 -0.02 0.00 -0.45 0.00 0.00 34.95 31.55 3hqp s ARG 22 CO 0.34 0.59 -0.07 0.42 -0.68 0.00 0.00 175.30 175.90 3hqp s ILE 23 N -1.22 3.41 -0.17 1.52 1.01 -1.26 -0.40 121.20 124.09 3hqp s ILE 23 Ca 0.23 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.32 3hqp s ILE 23 Cb -0.12 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 3hqp s ILE 23 CO 0.15 0.48 0.00 -0.63 0.00 0.00 0.00 174.94 174.94 3hqp s ILE 24 N 0.75 4.21 -0.11 2.92 1.01 -0.52 -1.10 121.20 128.37 3hqp s ILE 24 Ca -0.03 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3hqp s ILE 24 Cb -0.15 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 3hqp s ILE 24 CO 0.02 0.47 -0.15 0.00 0.00 0.00 0.00 174.94 175.28 3hqp s THR 26 N 0.09 4.86 -0.21 0.00 -4.23 -0.21 -0.57 115.64 115.37 3hqp s THR 26 Ca -0.07 1.92 -0.18 0.00 -1.18 0.00 0.00 61.69 62.18 3hqp s THR 26 Cb -0.15 -4.25 -0.03 0.00 1.34 0.00 0.00 72.50 69.41 3hqp s THR 26 CO 0.05 0.21 0.52 -0.63 -0.54 0.00 0.00 174.62 174.23 3hqp s ILE 27 N 0.80 5.09 0.00 2.99 -1.09 -0.22 -2.88 121.20 125.89 3hqp s ILE 27 Ca 0.48 0.95 0.00 0.00 -2.23 0.00 0.00 60.65 59.84 3hqp s ILE 27 Cb -0.21 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 3hqp s ILE 27 CO 0.26 0.15 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 3hqp n GLY 28 N 3.99 4.62 0.38 6.18 0.00 -1.24 -4.74 105.19 114.37 3hqp n GLY 28 Ca -0.04 -1.69 0.20 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 0.00 1.61 0.11 -1.75 -0.68 132.00 131.28 3hqp h PRO 29 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3hqp h PRO 29 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3hqp h PRO 29 CO 0.00 0.00 -0.19 0.43 -0.21 0.00 0.00 178.00 178.03 3hqp n SER 30 N -3.97 0.81 0.00 -2.05 7.64 -0.61 -4.28 113.62 111.15 3hqp n SER 30 Ca 0.07 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.40 3hqp n SER 30 Cb 0.57 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 3hqp n SER 30 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3hqp n THR 31 N -2.24 0.33 0.08 0.44 -2.24 -0.34 -4.85 114.28 105.46 3hqp n THR 31 Ca 0.05 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 3hqp n THR 31 Cb 0.44 0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 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 0.00 0.21 -7.01 -0.78 4.15 -1.53 -3.32 115.11 106.83 3hqp h GLN 32 Ca 0.00 -0.23 -0.54 0.00 0.77 0.00 0.00 58.65 58.64 3hqp h GLN 32 Cb 0.67 0.07 0.12 0.00 0.21 0.00 0.00 27.48 28.55 3hqp h GLN 32 CO 0.00 0.97 0.65 -1.54 -1.93 0.00 0.00 178.83 176.99 3hqp s SER 33 N -6.94 5.72 0.42 -0.69 1.04 -1.26 -4.80 113.70 107.18 3hqp s SER 33 Ca -0.03 2.82 0.18 0.00 0.48 0.00 0.00 55.95 59.40 3hqp s SER 33 Cb 0.10 -2.64 1.09 0.00 0.10 0.00 0.00 66.02 64.66 3hqp s SER 33 CO 0.83 -1.27 1.86 1.62 0.98 0.00 0.00 173.24 177.26 3hqp h VAL 34 N 2.01 0.68 -0.35 5.02 3.04 -1.88 -0.90 116.25 123.87 3hqp h VAL 34 Ca -0.51 -0.14 -0.14 0.00 -1.01 0.00 0.00 66.70 64.91 3hqp h VAL 34 Cb 1.28 0.25 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 3hqp h VAL 34 CO 0.60 0.07 -0.32 -0.08 -1.01 0.00 0.00 177.57 176.83 3hqp h GLU 35 N 0.40 0.83 -0.23 4.17 4.57 -1.95 -1.88 114.58 120.49 3hqp h GLU 35 Ca 0.46 -0.43 -0.10 0.00 -1.18 0.00 0.00 59.36 58.12 3hqp h GLU 35 Cb 1.16 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 3hqp h GLU 35 CO -0.17 1.06 -0.29 0.00 -1.18 0.00 0.00 179.01 178.44 3hqp h ALA 36 N 0.75 1.07 -0.42 2.92 0.00 -1.51 -1.98 119.26 120.09 3hqp h ALA 36 Ca 0.06 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 3hqp h ALA 36 Cb 0.90 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3hqp h ALA 36 CO 0.08 0.57 -0.32 -0.07 0.00 0.00 0.00 179.25 179.51 3hqp h LEU 37 N 0.40 1.00 -0.88 0.00 3.38 -1.14 -1.58 115.31 116.48 3hqp h LEU 37 Ca 0.05 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 3hqp h LEU 37 Cb 0.71 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3hqp h LEU 37 CO 0.05 1.22 0.12 0.11 0.09 0.00 0.00 178.44 180.03 3hqp h LYS 38 N 0.80 0.94 -0.28 1.13 1.57 -1.20 0.30 116.57 119.83 3hqp h LYS 38 Ca 0.08 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3hqp h LYS 38 Cb 0.90 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 3hqp h LYS 38 CO 0.08 0.86 0.09 0.78 -0.57 0.00 0.00 179.45 180.69 3hqp h GLY 39 N 1.02 0.34 0.98 3.86 0.00 -1.22 -1.65 103.07 106.40 3hqp h GLY 39 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3hqp h GLY 39 CO 0.00 0.02 0.03 1.41 0.00 0.00 0.00 176.54 178.01 3hqp h LEU 40 N 0.21 0.05 0.05 3.11 4.07 -0.64 0.47 115.31 122.62 3hqp h LEU 40 Ca 0.13 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.09 3hqp h LEU 40 Cb 0.10 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3hqp h LEU 40 CO -0.14 0.04 -0.07 0.40 -1.08 0.00 0.00 178.44 177.59 3hqp h ILE 41 N 0.07 0.83 -0.08 1.22 2.04 -0.91 0.23 117.51 120.91 3hqp h ILE 41 Ca 0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3hqp h ILE 41 Cb 0.00 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3hqp h ILE 41 CO -0.01 0.00 0.03 1.56 0.00 0.00 0.00 178.15 179.72 3hqp h GLN 42 N -0.15 0.11 0.00 2.37 4.20 -1.21 -1.92 115.11 118.50 3hqp h GLN 42 Ca 0.01 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 3hqp h GLN 42 Cb 0.16 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3hqp h GLN 42 CO -0.04 0.10 -0.74 0.77 -0.67 0.00 0.00 178.83 178.24 3hqp h SER 43 N 0.11 0.00 0.00 1.46 0.02 -0.37 -3.47 113.55 111.30 3hqp h SER 43 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3hqp h SER 43 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3hqp h SER 43 CO -0.00 0.74 0.00 0.61 -1.14 0.00 0.00 176.83 177.04 3hqp n GLY 44 N 0.84 0.18 3.77 -3.77 0.00 -0.30 -4.07 105.19 101.84 3hqp n GLY 44 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 4.21 0.00 1.61 0.00 -0.09 -4.32 119.30 120.70 3hqp s MET 45 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 55.69 57.46 3hqp s MET 45 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 34.83 32.07 3hqp s MET 45 CO 0.00 -0.17 0.00 0.43 0.00 0.00 0.00 175.02 175.28 3hqp n SER 46 N 0.29 4.02 -3.88 1.11 7.64 -0.26 -4.61 113.62 117.93 3hqp n SER 46 Ca 0.03 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.75 3hqp n SER 46 Cb 0.47 0.66 -0.15 0.00 -1.01 0.00 0.00 64.21 64.17 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 -1.68 0.27 -0.41 0.44 1.01 -1.17 -2.06 120.40 116.81 3hqp s VAL 47 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 3hqp s VAL 47 Cb 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.10 3hqp s VAL 47 CO 0.00 0.13 0.43 0.00 0.00 0.00 0.00 175.10 175.66 3hqp s ALA 48 N 0.52 3.44 0.03 5.51 0.00 -0.08 -1.89 121.76 129.29 3hqp s ALA 48 Ca -0.05 -1.46 -0.26 0.00 0.00 0.00 0.00 51.96 50.19 3hqp s ALA 48 Cb -0.08 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 3hqp s ALA 48 CO -0.01 -1.51 0.80 0.50 0.00 0.00 0.00 175.76 175.54 3hqp s ARG 49 N 2.13 4.52 -0.32 0.00 3.52 0.27 -0.95 118.95 128.11 3hqp s ARG 49 Ca 0.12 1.11 0.03 0.00 -0.13 0.00 0.00 55.73 56.87 3hqp s ARG 49 Cb -0.17 -3.38 0.09 0.00 -1.56 0.00 0.00 34.95 29.92 3hqp s ARG 49 CO 0.13 0.22 0.01 -1.64 -0.81 0.00 0.00 175.30 173.21 3hqp s MET 50 N 0.15 1.74 -0.44 5.12 -1.94 0.22 -1.06 119.30 123.09 3hqp s MET 50 Ca 0.40 -1.71 -0.29 0.00 -1.71 0.00 0.00 55.69 52.39 3hqp s MET 50 Cb -0.20 -3.12 0.03 0.00 2.01 0.00 0.00 34.83 33.54 3hqp s MET 50 CO 0.23 -0.83 1.13 1.21 -0.01 0.00 0.00 175.02 176.75 3hqp s ASN 51 N 0.99 6.70 -0.04 3.03 3.84 -1.26 -0.36 114.94 127.84 3hqp s ASN 51 Ca 0.05 0.59 0.08 0.00 0.21 0.00 0.00 52.86 53.79 3hqp s ASN 51 Cb -0.19 -2.55 0.29 0.00 -0.55 0.00 0.00 41.25 38.25 3hqp s ASN 51 CO -0.07 -1.17 1.14 0.49 -2.79 0.00 0.00 177.10 174.70 3hqp n PHE 52 N 7.63 0.57 0.18 0.43 3.01 0.09 -2.82 117.46 126.56 3hqp n PHE 52 Ca 0.12 -0.24 0.08 0.00 1.01 0.00 0.00 57.45 58.43 3hqp n PHE 52 Cb 0.49 -0.10 0.10 0.00 -0.01 0.00 0.00 39.48 39.95 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 1.71 0.00 -2.56 4.37 0.02 -1.83 -3.42 113.55 111.84 3hqp h SER 53 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 3hqp h SER 53 Cb 0.67 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.07 3hqp h SER 53 CO 0.08 0.20 -0.61 -1.00 -1.14 0.00 0.00 176.83 174.36 3hqp s HIS 54 N -3.12 2.21 0.00 3.45 3.76 -1.13 -5.02 115.29 115.44 3hqp s HIS 54 Ca 0.05 -0.83 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 3hqp s HIS 54 Cb 0.06 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 32.26 3hqp s HIS 54 CO 0.71 0.21 0.00 0.41 -0.85 0.00 0.00 174.74 175.22 3hqp n GLY 55 N -0.81 -0.38 3.21 -2.22 0.00 -1.26 -4.88 105.19 98.86 3hqp n GLY 55 Ca -0.03 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 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 0.26 0.28 1.61 1.04 -1.26 -4.98 113.70 106.65 3hqp s SER 56 Ca 0.00 -1.40 0.03 0.00 0.48 0.00 0.00 55.95 55.06 3hqp s SER 56 Cb 0.00 0.37 0.68 0.00 0.10 0.00 0.00 66.02 67.17 3hqp s SER 56 CO 0.00 -0.84 1.71 0.45 0.98 0.00 0.00 173.24 175.54 3hqp h HIS 57 N 2.59 0.67 -0.40 5.02 -0.00 -1.98 0.19 115.15 121.24 3hqp h HIS 57 Ca -0.36 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.04 3hqp h HIS 57 Cb 1.25 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 28.48 3hqp h HIS 57 CO 0.39 0.00 0.19 1.49 -0.00 0.00 0.00 177.93 180.00 3hqp h GLU 58 N 0.44 0.57 0.02 2.45 4.81 -1.98 0.11 114.58 121.00 3hqp h GLU 58 Ca 0.54 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.68 3hqp h GLU 58 Cb 0.97 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3hqp h GLU 58 CO -0.49 0.50 -0.01 -0.92 -0.73 0.00 0.00 179.01 177.36 3hqp h TYR 59 N 0.50 -0.02 0.00 0.92 3.20 -1.42 -2.88 116.97 117.27 3hqp h TYR 59 Ca 0.14 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 3hqp h TYR 59 Cb 0.11 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 3hqp h TYR 59 CO -0.01 0.13 -0.13 0.45 -1.64 0.00 0.00 178.16 176.96 3hqp h HIS 60 N -0.17 0.00 -0.54 -3.82 3.86 -0.68 -2.79 115.15 111.01 3hqp h HIS 60 Ca -0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.09 3hqp h HIS 60 Cb 0.16 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 3hqp h HIS 60 CO -0.03 0.13 -0.11 0.37 0.86 0.00 0.00 177.93 179.15 3hqp h GLN 61 N 0.00 1.03 -0.42 2.45 5.75 -0.63 -1.82 115.11 121.46 3hqp h GLN 61 Ca -0.00 -0.38 0.06 0.00 -0.15 0.00 0.00 58.65 58.17 3hqp h GLN 61 Cb 0.61 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.04 3hqp h GLN 61 CO 0.02 1.07 0.13 1.15 -2.65 0.00 0.00 178.83 178.55 3hqp h THR 62 N 0.90 0.84 -0.11 2.39 2.02 -1.28 -1.26 112.91 116.41 3hqp h THR 62 Ca 0.14 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.26 3hqp h THR 62 Cb 0.68 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 3hqp h THR 62 CO 0.05 0.05 -0.18 0.74 0.37 0.00 0.00 175.52 176.55 3hqp h THR 63 N 0.29 0.54 -0.39 3.16 2.02 -1.43 0.26 112.91 117.36 3hqp h THR 63 Ca 0.20 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.46 3hqp h THR 63 Cb 0.21 0.54 -0.08 0.00 -1.74 0.00 0.00 68.15 67.08 3hqp h THR 63 CO -0.22 0.00 -0.13 0.40 0.37 0.00 0.00 175.52 175.94 3hqp h ILE 64 N -0.24 0.55 -0.56 3.11 2.04 -0.95 0.22 117.51 121.69 3hqp h ILE 64 Ca 0.09 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 3hqp h ILE 64 Cb 0.37 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3hqp h ILE 64 CO -0.25 0.00 0.15 0.78 0.00 0.00 0.00 178.15 178.83 3hqp h ASN 65 N -0.04 0.83 -0.27 1.72 2.35 -0.77 -2.83 115.58 116.56 3hqp h ASN 65 Ca 0.19 -0.22 -0.14 0.00 -0.55 0.00 0.00 56.30 55.58 3hqp h ASN 65 Cb 0.33 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 3hqp h ASN 65 CO -0.42 0.83 -0.36 0.78 -1.65 0.00 0.00 177.43 176.60 3hqp h ASN 66 N 0.78 0.79 -0.38 5.81 4.21 -0.10 -2.38 115.58 124.32 3hqp h ASN 66 Ca 0.18 -0.50 0.01 0.00 1.21 0.00 0.00 56.30 57.19 3hqp h ASN 66 Cb 0.31 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.27 3hqp h ASN 66 CO -0.00 1.14 0.23 0.58 -1.29 0.00 0.00 177.43 178.09 3hqp h VAL 67 N 0.46 1.07 -0.48 2.81 2.07 -0.58 0.13 116.25 121.73 3hqp h VAL 67 Ca 0.03 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 3hqp h VAL 67 Cb 0.95 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3hqp h VAL 67 CO 0.09 0.09 0.01 0.03 0.02 0.00 0.00 177.57 177.80 3hqp h ARG 68 N 0.48 0.79 0.01 1.57 3.08 -1.53 0.36 114.38 119.13 3hqp h ARG 68 Ca 0.14 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3hqp h ARG 68 Cb -0.03 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3hqp h ARG 68 CO -0.05 0.79 -0.00 0.37 -1.07 0.00 0.00 179.97 180.01 3hqp h GLN 69 N 0.74 -0.01 -0.50 0.04 4.15 -1.01 -0.87 115.11 117.65 3hqp h GLN 69 Ca 0.15 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.61 3hqp h GLN 69 Cb 0.44 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.09 3hqp h GLN 69 CO 0.02 0.27 0.24 0.00 -1.93 0.00 0.00 178.83 177.43 3hqp h ALA 70 N 0.69 0.64 -0.79 3.38 0.00 -0.57 -1.78 119.26 120.84 3hqp h ALA 70 Ca -0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3hqp h ALA 70 Cb 0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3hqp h ALA 70 CO 0.00 -0.11 0.31 0.00 0.00 0.00 0.00 179.25 179.44 3hqp h ALA 71 N 1.28 1.03 -0.66 0.00 0.00 -0.90 -2.54 119.26 117.47 3hqp h ALA 71 Ca 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hqp h ALA 71 Cb 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3hqp h ALA 71 CO -0.17 0.66 0.37 0.00 0.00 0.00 0.00 179.25 180.11 3hqp h ALA 72 N 1.16 0.85 0.00 0.00 0.00 -0.72 -1.13 119.26 119.42 3hqp h ALA 72 Ca 0.26 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3hqp h ALA 72 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hqp h ALA 72 CO -0.02 0.36 -0.33 0.93 0.00 0.00 0.00 179.25 180.19 3hqp h GLU 73 N 0.90 0.00 -0.00 0.00 5.08 -1.12 -2.82 114.58 116.62 3hqp h GLU 73 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3hqp h GLU 73 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3hqp h GLU 73 CO -0.04 0.33 -0.67 1.28 -1.00 0.00 0.00 179.01 178.91 3hqp n LEU 74 N -3.40 1.04 -1.30 1.33 4.77 -0.98 -4.99 117.00 113.48 3hqp n LEU 74 Ca 0.00 -0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 55.51 3hqp n LEU 74 Cb 0.52 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 3hqp n LEU 74 CO 0.36 0.23 -0.06 0.61 -1.33 0.00 0.00 177.39 177.20 3hqp n GLY 75 N 1.47 0.06 3.50 -0.72 0.00 -0.49 -5.05 105.19 103.96 3hqp n GLY 75 Ca 0.06 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.66 1.43 -0.28 1.61 -7.23 -0.84 -5.05 120.40 107.38 3hqp s VAL 76 Ca 0.07 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.17 3hqp s VAL 76 Cb -0.03 -2.85 -0.00 0.00 0.56 0.00 0.00 36.38 34.06 3hqp s VAL 76 CO 0.09 0.00 0.08 0.20 -0.31 0.00 0.00 175.10 175.16 3hqp s ASN 77 N -3.56 5.12 -0.16 4.85 0.01 -1.26 -4.45 114.94 115.49 3hqp s ASN 77 Ca 0.36 -0.57 -0.02 0.00 -0.71 0.00 0.00 52.86 51.91 3hqp s ASN 77 Cb 0.09 -1.89 -0.02 0.00 0.41 0.00 0.00 41.25 39.84 3hqp s ASN 77 CO 0.16 -0.15 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.90 3hqp s ILE 78 N 1.53 3.47 0.40 0.60 -1.09 -1.26 -4.73 121.20 120.12 3hqp s ILE 78 Ca 0.04 -0.50 -0.25 0.00 -2.23 0.00 0.00 60.65 57.71 3hqp s ILE 78 Cb -0.17 -2.51 -0.08 0.00 -1.58 0.00 0.00 42.46 38.12 3hqp s ILE 78 CO 0.03 0.49 1.17 0.00 -1.23 0.00 0.00 174.94 175.39 3hqp s ALA 79 N 0.64 3.16 -0.21 9.38 0.00 -0.87 -4.91 121.76 128.95 3hqp s ALA 79 Ca -0.04 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 52.85 3hqp s ALA 79 Cb -0.15 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 3hqp s ALA 79 CO 0.02 -0.52 -0.08 0.42 0.00 0.00 0.00 175.76 175.61 3hqp s ILE 80 N -1.42 3.03 -0.10 0.00 1.01 -1.26 -0.90 121.20 121.56 3hqp s ILE 80 Ca 0.57 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.63 3hqp s ILE 80 Cb -0.30 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 3hqp s ILE 80 CO 0.38 0.46 -0.17 0.00 0.00 0.00 0.00 174.94 175.60 3hqp s ALA 81 N 1.40 2.46 -0.30 9.38 0.00 -0.13 -1.71 121.76 132.86 3hqp s ALA 81 Ca 0.05 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 3hqp s ALA 81 Cb -0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 3hqp s ALA 81 CO -0.06 0.32 0.17 -1.17 0.00 0.00 0.00 175.76 175.03 3hqp s LEU 82 N 0.13 4.10 -0.33 0.00 0.20 -0.81 -0.61 118.68 121.36 3hqp s LEU 82 Ca -0.09 -0.35 -0.12 0.00 0.69 0.00 0.00 54.13 54.26 3hqp s LEU 82 Cb -0.15 -2.05 -0.02 0.00 -0.43 0.00 0.00 46.19 43.53 3hqp s LEU 82 CO 0.05 -0.15 0.23 -0.62 -0.29 0.00 0.00 176.35 175.57 3hqp s ASP 83 N 1.67 6.02 0.87 3.68 -1.08 0.51 0.17 116.67 128.52 3hqp s ASP 83 Ca 0.06 -0.34 -0.12 0.00 -0.52 0.00 0.00 52.55 51.63 3hqp s ASP 83 Cb -0.17 -2.13 0.12 0.00 -1.46 0.00 0.00 42.92 39.28 3hqp s ASP 83 CO 0.08 -0.19 1.13 0.42 0.52 0.00 0.00 175.17 177.13 3hqp s THR 84 N 1.72 2.24 -0.01 1.71 -4.23 -0.86 -0.73 115.64 115.48 3hqp s THR 84 Ca 0.06 0.08 -0.23 0.00 -1.18 0.00 0.00 61.69 60.42 3hqp s THR 84 Cb -0.17 -2.86 -0.15 0.00 1.34 0.00 0.00 72.50 70.66 3hqp s THR 84 CO 0.10 -0.10 1.06 0.11 -0.54 0.00 0.00 174.62 175.25 3hqp h LYS 85 N -1.35 -0.40 0.00 3.99 1.57 -1.92 -3.40 116.57 115.06 3hqp h LYS 85 Ca -0.49 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.49 3hqp h LYS 85 Cb 1.32 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.68 3hqp h LYS 85 CO 0.62 -0.06 -0.23 0.41 -0.57 0.00 0.00 179.45 179.62 3hqp n GLY 86 N -0.00 -2.01 3.55 3.86 0.00 -1.26 -4.37 105.19 104.96 3hqp n GLY 86 Ca -0.09 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 3hqp n GLY 86 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hqp n PRO 87 N -2.41 2.08 -4.49 1.61 -0.02 -1.26 -4.89 135.00 125.61 3hqp n PRO 87 Ca 0.00 -2.69 -0.23 0.00 -2.02 0.00 0.00 63.50 58.56 3hqp n PRO 87 Cb 0.29 -3.63 -0.11 0.00 -0.02 0.00 0.00 33.50 30.03 3hqp n PRO 87 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3hqp s GLU 88 N 5.72 1.71 -0.16 -0.52 -1.05 -1.26 -4.95 118.70 118.19 3hqp s GLU 88 Ca 0.64 -1.93 0.02 0.00 -0.15 0.00 0.00 54.97 53.55 3hqp s GLU 88 Cb 0.01 -1.19 0.02 0.00 -0.44 0.00 0.00 34.13 32.53 3hqp s GLU 88 CO 0.12 -0.07 -0.20 0.42 0.95 0.00 0.00 175.26 176.48 3hqp s ILE 89 N -3.03 1.98 0.22 1.83 1.01 -1.26 -4.97 121.20 116.98 3hqp s ILE 89 Ca 0.34 -0.91 0.10 0.00 0.00 0.00 0.00 60.65 60.17 3hqp s ILE 89 Cb 0.07 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 3hqp s ILE 89 CO 0.15 0.53 -0.09 -0.13 0.00 0.00 0.00 174.94 175.40 3hqp s ARG 90 N 1.08 2.04 0.67 2.79 1.81 -1.26 -1.10 118.95 124.98 3hqp s ARG 90 Ca -0.01 -1.38 -0.07 0.00 -1.72 0.00 0.00 55.73 52.55 3hqp s ARG 90 Cb -0.14 -2.09 0.04 0.00 -0.45 0.00 0.00 34.95 32.30 3hqp s ARG 90 CO -0.07 0.40 0.99 0.95 -0.68 0.00 0.00 175.30 176.89 3hqp s THR 91 N -1.97 2.84 0.00 0.02 -4.23 0.47 -1.79 115.64 110.98 3hqp s THR 91 Ca 0.27 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 3hqp s THR 91 Cb -0.08 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.57 3hqp s THR 91 CO 0.16 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3hqp n GLY 92 N -2.83 -0.23 3.96 3.99 0.00 0.25 -3.79 105.19 106.55 3hqp n GLY 92 Ca 0.07 -1.49 -0.19 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 2.68 0.11 1.61 -0.21 0.19 -0.71 119.66 123.32 3hqp s GLN 93 Ca 0.00 -1.39 0.07 0.00 0.02 0.00 0.00 55.36 54.06 3hqp s GLN 93 Cb 0.00 -2.59 -0.03 0.00 1.00 0.00 0.00 33.01 31.38 3hqp s GLN 93 CO 0.00 -0.27 -0.16 -0.06 -2.12 0.00 0.00 175.29 172.67 3hqp s PHE 94 N -2.42 1.49 -0.20 0.91 0.08 -1.26 -2.25 117.98 114.33 3hqp s PHE 94 Ca 0.52 -0.49 -0.29 0.00 0.12 0.00 0.00 56.93 56.80 3hqp s PHE 94 Cb -0.07 -0.80 -0.00 0.00 -0.57 0.00 0.00 43.02 41.58 3hqp s PHE 94 CO 0.31 0.15 1.15 0.08 -0.10 0.00 0.00 175.22 176.82 3hqp s VAL 95 N -1.64 4.48 0.00 -0.44 1.01 0.92 -2.85 120.40 121.87 3hqp s VAL 95 Ca 0.06 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.82 3hqp s VAL 95 Cb -0.08 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.15 3hqp s VAL 95 CO 0.03 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.58 3hqp n GLY 96 N 3.48 0.70 0.00 4.51 0.00 -1.26 -4.30 105.19 108.33 3hqp n GLY 96 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 2.99 3.78 -0.02 0.00 -1.13 -5.03 105.19 103.78 3hqp n GLY 97 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.35 -0.20 -0.05 1.61 -4.77 -1.26 -3.44 116.67 108.20 3hqp s ASP 98 Ca 0.00 -0.72 0.01 0.00 -3.30 0.00 0.00 52.55 48.54 3hqp s ASP 98 Cb 0.00 0.69 0.02 0.00 -1.09 0.00 0.00 42.92 42.54 3hqp s ASP 98 CO 0.00 -1.30 -0.06 0.00 0.70 0.00 0.00 175.17 174.51 3hqp s ALA 99 N -3.90 0.85 -0.56 2.11 0.00 -0.98 -4.64 121.76 114.64 3hqp s ALA 99 Ca 0.15 -0.17 -0.23 0.00 0.00 0.00 0.00 51.96 51.70 3hqp s ALA 99 Cb -0.04 -0.50 0.05 0.00 0.00 0.00 0.00 23.12 22.62 3hqp s ALA 99 CO 0.08 -0.03 0.89 0.08 0.00 0.00 0.00 175.76 176.78 3hqp s VAL 100 N 0.96 4.45 -0.08 0.00 1.01 -1.26 -2.26 120.40 123.22 3hqp s VAL 100 Ca -0.10 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 3hqp s VAL 100 Cb -0.14 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.67 3hqp s VAL 100 CO 0.00 -1.13 0.58 -0.04 0.00 0.00 0.00 175.10 174.52 3hqp s MET 101 N 3.76 4.38 -0.06 2.72 -1.94 -0.93 -4.83 119.30 122.40 3hqp s MET 101 Ca 0.26 0.66 0.03 0.00 -1.71 0.00 0.00 55.69 54.93 3hqp s MET 101 Cb -0.14 -3.43 -0.03 0.00 2.01 0.00 0.00 34.83 33.24 3hqp s MET 101 CO 0.16 0.14 -0.12 -1.21 -0.01 0.00 0.00 175.02 173.99 3hqp s GLU 102 N 0.60 2.61 0.13 2.03 2.02 -1.26 -1.85 118.70 122.97 3hqp s GLU 102 Ca 0.31 -0.65 -0.32 0.00 0.02 0.00 0.00 54.97 54.33 3hqp s GLU 102 Cb -0.17 -2.45 -0.12 0.00 0.10 0.00 0.00 34.13 31.50 3hqp s GLU 102 CO 0.14 0.62 1.76 -2.13 0.02 0.00 0.00 175.26 175.68 3hqp n ARG 103 N 2.32 2.59 0.00 1.61 0.63 -1.26 -2.23 116.66 120.32 3hqp n ARG 103 Ca -0.17 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.69 3hqp n ARG 103 Cb 0.52 -2.79 0.00 0.00 0.45 0.00 0.00 32.46 30.64 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 4.02 3.34 3.76 5.14 0.00 0.70 -4.98 105.19 117.17 3hqp n GLY 104 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.45 3.42 0.16 4.61 0.00 -0.95 -4.74 121.76 121.82 3hqp s ALA 105 Ca 0.00 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 3hqp s ALA 105 Cb 0.00 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 3hqp s ALA 105 CO 0.00 -0.23 0.96 -0.08 0.00 0.00 0.00 175.76 176.41 3hqp s THR 106 N -1.12 4.29 0.04 0.00 -1.32 -1.26 -1.94 115.64 114.32 3hqp s THR 106 Ca 0.45 2.05 0.01 0.00 -1.21 0.00 0.00 61.69 62.99 3hqp s THR 106 Cb -0.33 -4.31 -0.03 0.00 -1.51 0.00 0.00 72.50 66.33 3hqp s THR 106 CO 0.42 0.38 -0.05 0.00 -2.21 0.00 0.00 174.62 173.17 3hqp s TYR 108 N -2.18 2.87 -0.11 0.00 2.02 0.81 -0.50 117.35 120.26 3hqp s TYR 108 Ca -0.06 -1.20 -0.12 0.00 -0.37 0.00 0.00 57.07 55.32 3hqp s TYR 108 Cb -0.05 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.46 3hqp s TYR 108 CO -0.03 -0.62 0.27 0.14 -1.57 0.00 0.00 175.55 173.74 3hqp s VAL 109 N 1.29 5.29 0.16 0.71 -7.23 -0.97 -2.06 120.40 117.59 3hqp s VAL 109 Ca 0.04 0.51 0.09 0.00 -1.81 0.00 0.00 61.98 60.81 3hqp s VAL 109 Cb -0.14 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 3hqp s VAL 109 CO -0.06 0.51 -0.19 0.28 -0.31 0.00 0.00 175.10 175.33 3hqp s THR 110 N -0.40 1.82 -0.69 5.32 -1.32 -0.52 -1.04 115.64 118.81 3hqp s THR 110 Ca 0.18 -1.87 0.16 0.00 -1.21 0.00 0.00 61.69 58.95 3hqp s THR 110 Cb -0.14 -1.81 -0.19 0.00 -1.51 0.00 0.00 72.50 68.86 3hqp s THR 110 CO 0.06 -0.27 0.66 0.41 -2.21 0.00 0.00 174.62 173.27 3hqp n THR 111 N 0.41 0.00 -2.34 5.08 -1.04 -0.65 -1.29 114.28 114.44 3hqp n THR 111 Ca -0.14 -0.14 -0.43 0.00 -2.04 0.00 0.00 64.05 61.30 3hqp n THR 111 Cb 0.56 0.91 -0.02 0.00 -1.82 0.00 0.00 70.33 69.96 3hqp n THR 111 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hqp s ASP 112 N -2.68 6.89 0.12 8.00 3.68 -1.26 -4.91 116.67 126.51 3hqp s ASP 112 Ca 0.05 1.79 0.09 0.00 2.13 0.00 0.00 52.55 56.62 3hqp s ASP 112 Cb 0.12 -2.54 0.49 0.00 -1.45 0.00 0.00 42.92 39.55 3hqp s ASP 112 CO 0.67 -0.79 1.29 -2.65 0.13 0.00 0.00 175.17 173.82 3hqp n PRO 113 N 6.71 0.06 0.12 4.34 -0.02 -1.26 -2.29 135.00 142.66 3hqp n PRO 113 Ca 0.15 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 62.27 3hqp n PRO 113 Cb 0.44 -1.67 0.48 0.00 -0.02 0.00 0.00 33.50 32.72 3hqp n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqp n ALA 114 N -1.61 1.63 -0.49 3.55 0.00 -1.26 -2.37 120.51 119.96 3hqp n ALA 114 Ca -0.00 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.59 3hqp n ALA 114 Cb 0.03 -1.37 0.24 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.17 0.86 -0.03 0.00 3.01 -0.97 -4.68 117.46 113.48 3hqp n PHE 115 Ca 0.02 -0.61 -0.14 0.00 1.01 0.00 0.00 57.45 57.72 3hqp n PHE 115 Cb 0.22 -0.14 -0.10 0.00 -0.01 0.00 0.00 39.48 39.44 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 2.64 0.07 0.00 4.37 0.00 -1.66 -3.31 119.26 121.37 3hqp h ALA 116 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3hqp h ALA 116 Cb 1.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3hqp h ALA 116 CO 0.11 0.05 -0.27 0.38 0.00 0.00 0.00 179.25 179.52 3hqp h ASP 117 N -0.39 0.00 -3.34 0.00 2.03 -1.83 0.54 116.42 113.43 3hqp h ASP 117 Ca -0.02 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.75 3hqp h ASP 117 Cb 0.87 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.98 3hqp h ASP 117 CO 0.04 0.27 -0.77 -0.54 -1.03 0.00 0.00 179.24 177.21 3hqp s LYS 118 N -3.27 0.85 0.10 4.15 1.02 -1.25 -4.35 119.74 116.99 3hqp s LYS 118 Ca 0.04 -0.56 0.04 0.00 0.02 0.00 0.00 55.97 55.50 3hqp s LYS 118 Cb 0.08 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 3hqp s LYS 118 CO 0.68 -0.64 -0.10 0.20 -0.92 0.00 0.00 175.35 174.57 3hqp s GLY 119 N 1.76 0.87 0.32 -3.33 0.00 -0.95 -4.74 107.32 101.23 3hqp s GLY 119 Ca -0.02 -1.24 0.03 0.00 0.00 0.00 0.00 44.72 43.49 3hqp s GLY 119 CO -0.08 -1.33 0.13 -0.51 0.00 0.00 0.00 173.10 171.31 3hqp s THR 120 N -2.69 0.54 0.59 0.90 -4.23 -0.70 -0.06 115.64 110.00 3hqp s THR 120 Ca 0.08 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.87 3hqp s THR 120 Cb -0.01 -2.54 0.40 0.00 1.34 0.00 0.00 72.50 71.68 3hqp s THR 120 CO -0.00 0.00 1.71 0.07 -0.54 0.00 0.00 174.62 175.86 3hqp h LYS 121 N 2.15 0.00 0.10 3.99 2.10 -1.89 -2.49 116.57 120.53 3hqp h LYS 121 Ca -0.36 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 57.94 3hqp h LYS 121 Cb 1.25 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 3hqp h LYS 121 CO 0.57 0.00 -1.95 -0.25 -2.00 0.00 0.00 179.45 175.82 3hqp n ASP 122 N -3.57 1.91 -3.55 7.07 8.00 -1.26 -4.73 116.55 120.41 3hqp n ASP 122 Ca 0.14 0.25 -0.12 0.00 0.71 0.00 0.00 54.79 55.77 3hqp n ASP 122 Cb 0.96 -0.72 -0.11 0.00 -0.02 0.00 0.00 41.12 41.23 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 -2.57 0.25 0.12 -1.24 2.20 -0.94 -0.13 119.74 117.44 3hqp s LYS 123 Ca -0.19 0.69 -0.00 0.00 -0.36 0.00 0.00 55.97 56.11 3hqp s LYS 123 Cb 0.07 -0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.13 3hqp s LYS 123 CO 0.78 -0.42 0.01 -0.59 -0.36 0.00 0.00 175.35 174.77 3hqp s PHE 124 N 2.49 0.88 0.12 4.03 -0.71 -0.88 -1.72 117.98 122.20 3hqp s PHE 124 Ca 0.04 -1.11 -0.09 0.00 -1.04 0.00 0.00 56.93 54.73 3hqp s PHE 124 Cb -0.13 -0.52 -0.06 0.00 -1.21 0.00 0.00 43.02 41.10 3hqp s PHE 124 CO -0.12 -0.37 0.44 -0.47 -1.34 0.00 0.00 175.22 173.35 3hqp s TYR 125 N -3.88 3.54 -0.05 3.49 5.04 -1.25 -1.44 117.35 122.80 3hqp s TYR 125 Ca 0.19 0.79 0.03 0.00 -2.44 0.00 0.00 57.07 55.64 3hqp s TYR 125 Cb 0.07 -2.17 0.00 0.00 0.35 0.00 0.00 41.96 40.21 3hqp s TYR 125 CO -0.01 0.45 -0.14 0.42 -1.34 0.00 0.00 175.55 174.93 3hqp s ILE 126 N -1.53 1.21 -0.60 3.14 1.01 -0.42 -0.58 121.20 123.43 3hqp s ILE 126 Ca 0.37 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.51 3hqp s ILE 126 Cb -0.13 -1.06 0.37 0.00 0.01 0.00 0.00 42.46 41.65 3hqp s ILE 126 CO 0.20 0.36 1.11 -0.90 0.00 0.00 0.00 174.94 175.71 3hqp n ASP 127 N 3.38 3.20 -4.60 3.58 5.68 -0.74 -4.51 116.55 122.53 3hqp n ASP 127 Ca -0.20 -2.46 -0.39 0.00 -0.50 0.00 0.00 54.79 51.24 3hqp n ASP 127 Cb 0.53 -0.59 -0.09 0.00 -1.14 0.00 0.00 41.12 39.83 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 -1.78 3.24 0.25 2.11 5.04 -1.26 -4.90 117.35 120.05 3hqp s TYR 128 Ca 0.25 0.41 -0.12 0.00 -2.44 0.00 0.00 57.07 55.17 3hqp s TYR 128 Cb 0.19 -2.62 0.36 0.00 0.35 0.00 0.00 41.96 40.25 3hqp s TYR 128 CO 0.07 -0.26 1.56 1.96 -1.34 0.00 0.00 175.55 177.54 3hqp h GLN 129 N 8.18 -0.01 -2.16 4.97 1.08 -1.95 -3.27 115.11 121.96 3hqp h GLN 129 Ca -0.31 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.39 3hqp h GLN 129 Cb 1.16 0.00 -0.34 0.00 -0.05 0.00 0.00 27.48 28.25 3hqp h GLN 129 CO 0.66 -0.01 -0.85 0.54 -0.95 0.00 0.00 178.83 178.22 3hqp s ASN 130 N -5.28 1.24 0.35 1.46 2.20 -1.26 -4.92 114.94 108.74 3hqp s ASN 130 Ca -0.15 -2.54 0.23 0.00 -0.94 0.00 0.00 52.86 49.46 3hqp s ASN 130 Cb 0.24 0.02 0.29 0.00 -2.00 0.00 0.00 41.25 39.80 3hqp s ASN 130 CO 0.75 -0.19 1.47 0.17 -2.94 0.00 0.00 177.10 176.37 3hqp h LEU 131 N 5.97 0.00 -1.52 3.54 -0.00 -1.99 -3.24 115.31 118.07 3hqp h LEU 131 Ca 0.18 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 58.02 3hqp h LEU 131 Cb 0.97 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 3hqp h LEU 131 CO 0.28 0.00 -0.01 0.28 -0.00 0.00 0.00 178.44 178.99 3hqp h SER 132 N 0.00 0.26 1.63 0.17 0.02 -1.90 0.23 113.55 113.96 3hqp h SER 132 Ca 0.00 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 3hqp h SER 132 Cb 0.97 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 3hqp h SER 132 CO 0.00 0.33 -0.37 0.11 -1.14 0.00 0.00 176.83 175.76 3hqp h LYS 133 N 0.28 0.00 0.06 3.45 1.57 -1.95 -3.37 116.57 116.62 3hqp h LYS 133 Ca 0.07 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.55 3hqp h LYS 133 Cb 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3hqp h LYS 133 CO 0.01 0.24 -1.60 0.28 -0.57 0.00 0.00 179.45 177.81 3hqp h VAL 134 N 0.00 1.03 -4.09 0.50 2.07 -1.14 -3.47 116.25 111.15 3hqp h VAL 134 Ca -0.01 -2.77 -0.68 0.00 0.82 0.00 0.00 66.70 64.06 3hqp h VAL 134 Cb 1.21 2.61 -0.24 0.00 -1.52 0.00 0.00 31.29 33.34 3hqp h VAL 134 CO 0.03 0.73 -0.87 0.68 0.02 0.00 0.00 177.57 178.16 3hqp s VAL 135 N -2.61 2.14 0.38 2.57 -7.23 0.65 -5.04 120.40 111.27 3hqp s VAL 135 Ca -0.08 -1.56 0.08 0.00 -1.81 0.00 0.00 61.98 58.60 3hqp s VAL 135 Cb 0.08 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 3hqp s VAL 135 CO 0.83 0.20 0.25 -0.13 -0.31 0.00 0.00 175.10 175.94 3hqp s ARG 136 N -1.66 2.43 -0.08 4.82 0.52 -1.26 -4.74 118.95 118.98 3hqp s ARG 136 Ca 0.12 -1.59 -0.29 0.00 -0.52 0.00 0.00 55.73 53.45 3hqp s ARG 136 Cb -0.10 -2.23 -0.06 0.00 0.52 0.00 0.00 34.95 33.07 3hqp s ARG 136 CO 0.04 -0.06 1.92 -2.14 0.02 0.00 0.00 175.30 175.08 3hqp s PRO 137 N -3.98 3.85 0.00 3.54 0.02 -1.26 -2.19 135.00 134.98 3hqp s PRO 137 Ca 0.43 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.69 3hqp s PRO 137 Cb -0.01 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.34 3hqp s PRO 137 CO 0.25 -1.27 0.00 0.41 -0.33 0.00 0.00 177.00 176.06 3hqp n GLY 138 N 4.79 1.21 3.76 0.52 0.00 0.12 -4.97 105.19 110.62 3hqp n GLY 138 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.31 4.36 0.06 1.61 0.02 -0.93 -4.75 114.94 114.00 3hqp s ASN 139 Ca 0.00 1.88 0.01 0.00 -1.02 0.00 0.00 52.86 53.73 3hqp s ASN 139 Cb 0.00 -2.53 -0.04 0.00 0.02 0.00 0.00 41.25 38.70 3hqp s ASN 139 CO 0.00 -2.13 0.18 -0.31 0.02 0.00 0.00 177.10 174.86 3hqp s TYR 140 N -2.82 3.44 -0.26 2.20 2.02 -1.26 -1.52 117.35 119.15 3hqp s TYR 140 Ca 0.62 0.21 0.02 0.00 -0.37 0.00 0.00 57.07 57.56 3hqp s TYR 140 Cb -0.18 -1.73 0.06 0.00 -0.40 0.00 0.00 41.96 39.71 3hqp s TYR 140 CO 0.55 0.57 -0.07 0.42 -1.57 0.00 0.00 175.55 175.45 3hqp s ILE 141 N -1.48 1.91 0.01 2.71 1.01 0.19 -4.93 121.20 120.62 3hqp s ILE 141 Ca 0.34 -1.53 -0.25 0.00 0.00 0.00 0.00 60.65 59.20 3hqp s ILE 141 Cb -0.13 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 3hqp s ILE 141 CO 0.27 -0.12 0.78 -0.31 0.00 0.00 0.00 174.94 175.56 3hqp s TYR 142 N 1.21 3.69 -0.02 3.97 1.51 -1.12 -1.33 117.35 125.25 3hqp s TYR 142 Ca -0.06 1.46 0.05 0.00 -1.01 0.00 0.00 57.07 57.51 3hqp s TYR 142 Cb -0.19 -2.86 -0.01 0.00 -0.11 0.00 0.00 41.96 38.78 3hqp s TYR 142 CO -0.06 0.19 -0.17 0.42 -1.11 0.00 0.00 175.55 174.82 3hqp s ILE 143 N 0.29 1.39 -0.79 2.71 -1.09 0.19 -1.48 121.20 122.42 3hqp s ILE 143 Ca 0.40 -0.73 -0.01 0.00 -2.23 0.00 0.00 60.65 58.08 3hqp s ILE 143 Cb -0.20 -1.17 -0.01 0.00 -1.58 0.00 0.00 42.46 39.51 3hqp s ILE 143 CO 0.23 0.40 0.71 -0.67 -1.23 0.00 0.00 174.94 174.37 3hqp n ASP 144 N 2.84 -7.37 -4.03 3.58 2.03 0.18 -1.29 116.55 112.49 3hqp n ASP 144 Ca -0.16 -0.24 -0.32 0.00 0.52 0.00 0.00 54.79 54.60 3hqp n ASP 144 Cb 0.54 -4.92 0.00 0.00 -0.72 0.00 0.00 41.12 36.02 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 -2.00 -3.61 0.00 1.67 8.00 -1.26 -2.14 116.55 117.21 3hqp n ASP 145 Ca -0.04 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.57 3hqp n ASP 145 Cb 0.53 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.25 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 -1.60 1.20 0.09 0.44 0.00 -1.18 -4.83 105.19 99.30 3hqp n GLY 146 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.98 -3.11 -0.61 2.04 -1.22 -3.42 117.51 112.17 3hqp h ILE 147 Ca 0.00 -0.27 -0.61 0.00 1.00 0.00 0.00 64.86 64.99 3hqp h ILE 147 Cb 0.00 1.15 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 3hqp h ILE 147 CO 0.00 0.07 -0.28 -0.22 0.00 0.00 0.00 178.15 177.72 3hqp s LEU 148 N -9.94 4.35 -0.10 1.44 2.96 -0.41 -4.97 118.68 112.01 3hqp s LEU 148 Ca -0.14 0.70 0.03 0.00 -0.22 0.00 0.00 54.13 54.50 3hqp s LEU 148 Cb 0.05 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 44.30 3hqp s LEU 148 CO 0.65 0.21 -0.18 -0.63 -1.32 0.00 0.00 176.35 175.08 3hqp s ILE 149 N -0.27 1.66 0.11 6.68 1.01 -1.26 0.53 121.20 129.66 3hqp s ILE 149 Ca 0.20 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.14 3hqp s ILE 149 Cb -0.14 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3hqp s ILE 149 CO 0.08 0.47 0.02 -0.76 0.00 0.00 0.00 174.94 174.75 3hqp s LEU 150 N 0.69 3.49 -0.15 2.97 1.43 -0.44 -1.61 118.68 125.06 3hqp s LEU 150 Ca -0.12 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3hqp s LEU 150 Cb -0.16 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 43.87 3hqp s LEU 150 CO 0.03 0.15 -0.18 -1.58 0.23 0.00 0.00 176.35 175.00 3hqp s GLN 151 N -2.48 3.14 -0.05 1.70 0.74 -0.01 -0.63 119.66 122.06 3hqp s GLN 151 Ca 0.27 -0.79 -0.30 0.00 0.05 0.00 0.00 55.36 54.59 3hqp s GLN 151 Cb -0.11 -2.55 -0.05 0.00 1.10 0.00 0.00 33.01 31.40 3hqp s GLN 151 CO 0.19 0.01 1.60 0.08 -0.55 0.00 0.00 175.29 176.62 3hqp s VAL 152 N 0.81 3.61 -0.25 1.34 1.01 -0.58 -1.43 120.40 124.91 3hqp s VAL 152 Ca -0.06 0.79 0.04 0.00 0.00 0.00 0.00 61.98 62.75 3hqp s VAL 152 Cb -0.15 -3.51 -0.18 0.00 0.00 0.00 0.00 36.38 32.54 3hqp s VAL 152 CO -0.01 -0.06 -0.19 1.67 0.00 0.00 0.00 175.10 176.51 3hqp n GLN 153 N 6.82 0.65 -3.81 2.72 -0.06 0.21 0.16 117.38 124.07 3hqp n GLN 153 Ca 0.17 0.13 -0.04 0.00 -2.00 0.00 0.00 57.00 55.26 3hqp n GLN 153 Cb 0.43 -1.52 0.00 0.00 -4.06 0.00 0.00 30.24 25.09 3hqp n GLN 153 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 3hqp s SER 154 N -6.37 -0.09 -0.35 1.69 1.04 -1.08 -4.78 113.70 103.75 3hqp s SER 154 Ca -0.32 -0.56 -0.18 0.00 0.48 0.00 0.00 55.95 55.38 3hqp s SER 154 Cb 0.09 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.71 3hqp s SER 154 CO 0.62 -0.98 0.49 -1.00 0.98 0.00 0.00 173.24 173.35 3hqp s HIS 155 N -2.75 3.18 0.08 5.02 3.76 -1.26 -0.27 115.29 123.05 3hqp s HIS 155 Ca 0.16 0.13 -0.14 0.00 -0.15 0.00 0.00 55.06 55.06 3hqp s HIS 155 Cb -0.02 -2.89 -0.20 0.00 1.11 0.00 0.00 32.58 30.58 3hqp s HIS 155 CO 0.04 -0.53 1.23 0.93 -0.85 0.00 0.00 174.74 175.56 3hqp h GLU 156 N 8.47 0.70 0.00 1.40 4.39 -1.17 -3.47 114.58 124.90 3hqp h GLU 156 Ca -0.28 -0.66 0.00 0.00 0.34 0.00 0.00 59.36 58.76 3hqp h GLU 156 Cb 1.13 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3hqp h GLU 156 CO 0.76 1.26 0.00 -0.40 -1.16 0.00 0.00 179.01 179.47 3hqp n ASP 157 N -3.96 0.00 -0.00 1.42 5.68 -1.10 -4.96 116.55 113.63 3hqp n ASP 157 Ca -0.09 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.21 3hqp n ASP 157 Cb 0.78 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 41.10 3hqp n ASP 157 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3hqp h GLU 158 N 0.00 0.53 -0.00 0.11 4.81 -2.04 -3.31 114.58 114.68 3hqp h GLU 158 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3hqp h GLU 158 Cb 0.00 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3hqp h GLU 158 CO 0.00 0.48 -0.22 1.04 -0.73 0.00 0.00 179.01 179.58 3hqp n GLN 159 N -4.35 3.68 -5.19 1.92 6.02 -1.26 -4.90 117.38 113.31 3hqp n GLN 159 Ca 0.02 -0.23 -0.30 0.00 -0.01 0.00 0.00 57.00 56.48 3hqp n GLN 159 Cb 0.18 -0.88 -0.16 0.00 1.02 0.00 0.00 30.24 30.39 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 -1.35 1.93 -0.14 5.09 2.01 -1.25 -1.64 115.64 120.29 3hqp s THR 160 Ca 0.04 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.01 3hqp s THR 160 Cb 0.05 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 3hqp s THR 160 CO 0.22 0.54 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.85 3hqp s LEU 161 N -0.20 3.04 -0.01 4.42 1.43 -0.21 -0.58 118.68 126.57 3hqp s LEU 161 Ca -0.01 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 3hqp s LEU 161 Cb -0.13 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 3hqp s LEU 161 CO 0.03 0.17 1.14 -0.70 0.23 0.00 0.00 176.35 177.21 3hqp s GLU 162 N 0.33 4.43 0.11 1.70 2.12 0.63 -2.29 118.70 125.73 3hqp s GLU 162 Ca -0.07 1.63 0.02 0.00 0.36 0.00 0.00 54.97 56.91 3hqp s GLU 162 Cb -0.15 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 3hqp s GLU 162 CO 0.04 -0.29 -0.07 0.00 -0.54 0.00 0.00 175.26 174.40 3hqp s THR 164 N -3.55 2.20 -0.20 0.00 2.01 -0.52 -0.76 115.64 114.82 3hqp s THR 164 Ca 0.14 -1.01 -0.29 0.00 0.31 0.00 0.00 61.69 60.83 3hqp s THR 164 Cb 0.05 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.75 3hqp s THR 164 CO -0.03 0.57 1.09 -0.69 -0.69 0.00 0.00 174.62 174.87 3hqp s VAL 165 N -0.19 4.60 -0.06 3.82 1.01 -0.82 -0.83 120.40 127.92 3hqp s VAL 165 Ca -0.03 1.92 0.13 0.00 0.00 0.00 0.00 61.98 64.01 3hqp s VAL 165 Cb -0.14 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 31.90 3hqp s VAL 165 CO 0.03 -0.15 1.11 0.71 0.00 0.00 0.00 175.10 176.80 3hqp h THR 166 N 5.42 0.96 -3.73 3.92 1.35 -1.62 0.20 112.91 119.41 3hqp h THR 166 Ca -0.22 -2.51 -0.12 0.00 -0.55 0.00 0.00 66.41 63.01 3hqp h THR 166 Cb 1.08 2.41 -0.17 0.00 -1.73 0.00 0.00 68.15 69.74 3hqp h THR 166 CO 0.97 0.55 -0.48 0.54 -0.25 0.00 0.00 175.52 176.84 3hqp s ASN 167 N -6.27 0.13 -0.01 5.36 2.20 -1.26 -4.69 114.94 110.41 3hqp s ASN 167 Ca 0.00 -0.49 -0.28 0.00 -0.94 0.00 0.00 52.86 51.15 3hqp s ASN 167 Cb 0.09 0.25 -0.04 0.00 -2.00 0.00 0.00 41.25 39.55 3hqp s ASN 167 CO 0.79 -0.53 0.88 -0.44 -2.94 0.00 0.00 177.10 174.87 3hqp s SER 168 N -2.14 7.26 -0.29 3.54 0.01 -1.26 -4.28 113.70 116.54 3hqp s SER 168 Ca -0.05 1.52 -0.23 0.00 1.31 0.00 0.00 55.95 58.51 3hqp s SER 168 Cb -0.01 -2.52 0.15 0.00 0.21 0.00 0.00 66.02 63.85 3hqp s SER 168 CO -0.05 -0.19 1.12 -2.28 0.41 0.00 0.00 173.24 172.26 3hqp s HIS 169 N 0.80 -0.38 -0.19 2.43 5.04 -0.77 -4.97 115.29 117.24 3hqp s HIS 169 Ca 0.47 0.88 -0.13 0.00 -1.54 0.00 0.00 55.06 54.73 3hqp s HIS 169 Cb -0.20 0.37 -0.05 0.00 0.04 0.00 0.00 32.58 32.74 3hqp s HIS 169 CO 0.25 -0.19 0.28 0.99 -2.34 0.00 0.00 174.74 173.74 3hqp s THR 170 N 0.47 5.30 -0.06 0.89 2.01 -1.26 -2.19 115.64 120.79 3hqp s THR 170 Ca 0.01 0.50 0.04 0.00 0.31 0.00 0.00 61.69 62.55 3hqp s THR 170 Cb -0.05 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 3hqp s THR 170 CO -0.10 0.35 -0.19 0.27 -0.69 0.00 0.00 174.62 174.26 3hqp s ILE 171 N 0.78 2.62 0.18 1.82 -4.36 -0.96 -4.99 121.20 116.29 3hqp s ILE 171 Ca 0.15 -0.87 -0.03 0.00 -0.26 0.00 0.00 60.65 59.64 3hqp s ILE 171 Cb -0.13 -2.01 0.04 0.00 1.25 0.00 0.00 42.46 41.61 3hqp s ILE 171 CO 0.04 0.57 0.24 -1.20 0.24 0.00 0.00 174.94 174.84 3hqp n SER 172 N 2.74 0.04 -4.75 4.36 7.64 -1.26 -2.31 113.62 120.08 3hqp n SER 172 Ca -0.17 -1.10 -0.34 0.00 1.01 0.00 0.00 58.87 58.27 3hqp n SER 172 Cb 0.52 -0.18 0.05 0.00 -1.01 0.00 0.00 64.21 63.59 3hqp n SER 172 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3hqp s ASP 173 N -1.89 4.90 -1.34 6.43 1.01 -1.22 -4.12 116.67 120.44 3hqp s ASP 173 Ca 0.14 2.18 -0.20 0.00 0.71 0.00 0.00 52.55 55.38 3hqp s ASP 173 Cb -0.00 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.38 3hqp s ASP 173 CO 0.10 -1.78 0.43 -2.11 0.21 0.00 0.00 175.17 172.02 3hqp n ARG 174 N -2.27 -0.68 -2.00 8.23 1.85 0.11 -4.92 116.66 116.97 3hqp n ARG 174 Ca 0.12 0.11 -0.38 0.00 -1.00 0.00 0.00 57.85 56.70 3hqp n ARG 174 Cb 0.51 -3.06 0.02 0.00 -1.05 0.00 0.00 32.46 28.88 3hqp n ARG 174 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3hqp s ARG 175 N -7.33 3.50 0.24 2.89 3.00 -1.26 -4.59 118.95 115.40 3hqp s ARG 175 Ca 0.29 2.05 -0.30 0.00 0.00 0.00 0.00 55.73 57.78 3hqp s ARG 175 Cb -0.16 -2.39 -0.09 0.00 0.00 0.00 0.00 34.95 32.31 3hqp s ARG 175 CO 0.97 -0.84 1.22 0.20 0.00 0.00 0.00 175.30 176.85 3hqp s GLY 176 N -1.07 2.78 -0.01 -3.53 0.00 -1.26 -0.40 107.32 103.84 3hqp s GLY 176 Ca 0.66 1.04 0.06 0.00 0.00 0.00 0.00 44.72 46.48 3hqp s GLY 176 CO 0.43 1.83 -0.18 0.54 0.00 0.00 0.00 173.10 175.73 3hqp s VAL 177 N -0.49 1.42 -0.02 1.40 0.11 -0.26 0.48 120.40 123.04 3hqp s VAL 177 Ca 0.51 -0.81 0.04 0.00 -2.93 0.00 0.00 61.98 58.79 3hqp s VAL 177 Cb -0.35 -1.19 -0.01 0.00 -1.53 0.00 0.00 36.38 33.30 3hqp s VAL 177 CO 0.41 0.37 -0.14 0.20 -3.33 0.00 0.00 175.10 172.61 3hqp s ASN 178 N -0.51 1.69 -0.58 3.54 0.01 -0.55 -4.29 114.94 114.25 3hqp s ASN 178 Ca 0.07 -0.27 0.04 0.00 -0.71 0.00 0.00 52.86 51.99 3hqp s ASN 178 Cb -0.07 -0.33 0.16 0.00 0.41 0.00 0.00 41.25 41.42 3hqp s ASN 178 CO -0.00 0.14 0.41 -0.76 -1.51 0.00 0.00 177.10 175.38 3hqp s LEU 179 N -0.10 3.62 0.18 0.60 2.01 -1.26 -2.78 118.68 120.95 3hqp s LEU 179 Ca 0.01 -3.45 -0.32 0.00 0.01 0.00 0.00 54.13 50.39 3hqp s LEU 179 Cb -0.08 -1.24 -0.12 0.00 0.01 0.00 0.00 46.19 44.77 3hqp s LEU 179 CO 0.00 -0.14 1.77 -2.65 1.01 0.00 0.00 176.35 176.35 3hqp n PRO 180 N 2.46 2.81 -3.32 1.29 -0.02 -1.26 -2.93 135.00 134.02 3hqp n PRO 180 Ca 0.20 1.02 -0.17 0.00 -2.02 0.00 0.00 63.50 62.52 3hqp n PRO 180 Cb 0.38 -2.88 0.07 0.00 -0.02 0.00 0.00 33.50 31.05 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 4.08 -0.28 0.00 -1.23 0.00 -1.26 -4.94 105.19 101.56 3hqp n GLY 181 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.16 -6.35 -4.59 0.00 4.64 -1.26 -4.87 116.55 103.96 3hqp n ASP 183 Ca 0.00 0.21 -0.43 0.00 -1.38 0.00 0.00 54.79 53.19 3hqp n ASP 183 Cb 0.01 -2.53 -0.02 0.00 -1.04 0.00 0.00 41.12 37.54 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 -1.55 4.24 -1.21 5.18 -7.23 -1.26 -4.95 120.40 113.61 3hqp s VAL 184 Ca 0.24 1.10 -0.20 0.00 -1.81 0.00 0.00 61.98 61.31 3hqp s VAL 184 Cb -0.03 -4.59 0.02 0.00 0.56 0.00 0.00 36.38 32.35 3hqp s VAL 184 CO 0.64 -1.01 1.75 -0.62 -0.31 0.00 0.00 175.10 175.56 3hqp s ASP 185 N 2.47 6.28 -0.05 4.85 2.15 -1.26 -4.92 116.67 126.20 3hqp s ASP 185 Ca 0.45 -2.03 0.05 0.00 0.43 0.00 0.00 52.55 51.45 3hqp s ASP 185 Cb -0.08 -2.58 -0.01 0.00 -0.30 0.00 0.00 42.92 39.96 3hqp s ASP 185 CO 0.30 -1.75 -0.20 -0.76 -0.17 0.00 0.00 175.17 172.59 3hqp s LEU 186 N 6.22 1.98 0.22 -1.34 1.43 -1.26 -5.11 118.68 120.83 3hqp s LEU 186 Ca 0.57 -0.41 -0.31 0.00 -1.03 0.00 0.00 54.13 52.95 3hqp s LEU 186 Cb 0.02 -1.12 -0.15 0.00 0.03 0.00 0.00 46.19 44.97 3hqp s LEU 186 CO 0.06 0.20 1.16 -0.81 0.23 0.00 0.00 176.35 177.18 3hqp n PRO 187 N 3.02 1.37 -0.15 1.29 -0.04 -1.26 -4.90 135.00 134.33 3hqp n PRO 187 Ca -0.18 0.49 -0.04 0.00 -0.04 0.00 0.00 63.50 63.73 3hqp n PRO 187 Cb 0.53 -1.97 0.02 0.00 -0.04 0.00 0.00 33.50 32.04 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 3.07 0.13 -3.33 0.55 0.00 -1.99 -3.38 119.26 114.31 3hqp h ALA 188 Ca -0.42 0.17 -0.54 0.00 0.00 0.00 0.00 54.91 54.11 3hqp h ALA 188 Cb 1.33 0.54 -0.34 0.00 0.00 0.00 0.00 17.79 19.32 3hqp h ALA 188 CO 0.68 -0.56 -0.82 0.54 0.00 0.00 0.00 179.25 179.09 3hqp s VAL 189 N -6.13 1.26 0.69 0.00 0.11 -1.26 -4.55 120.40 110.52 3hqp s VAL 189 Ca -0.14 -0.52 -0.06 0.00 -2.93 0.00 0.00 61.98 58.33 3hqp s VAL 189 Cb 0.16 -1.17 0.06 0.00 -1.53 0.00 0.00 36.38 33.90 3hqp s VAL 189 CO 0.71 0.39 0.98 -0.94 -3.33 0.00 0.00 175.10 172.91 3hqp s SER 190 N 0.90 4.86 0.34 3.54 1.04 -1.26 -4.98 113.70 118.15 3hqp s SER 190 Ca -0.09 0.38 0.08 0.00 0.48 0.00 0.00 55.95 56.80 3hqp s SER 190 Cb -0.15 -1.06 0.62 0.00 0.10 0.00 0.00 66.02 65.53 3hqp s SER 190 CO 0.01 -1.55 1.80 0.00 0.98 0.00 0.00 173.24 174.48 3hqp h ALA 191 N -0.52 1.30 -0.01 5.32 0.00 -1.99 -2.27 119.26 121.11 3hqp h ALA 191 Ca -0.44 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.05 3hqp h ALA 191 Cb 1.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3hqp h ALA 191 CO 0.59 0.48 -0.46 -0.22 0.00 0.00 0.00 179.25 179.64 3hqp h LYS 192 N 0.19 0.01 0.06 0.00 3.64 -2.00 -1.96 116.57 116.51 3hqp h LYS 192 Ca 0.03 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.16 3hqp h LYS 192 Cb 0.61 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3hqp h LYS 192 CO 0.04 0.47 -1.06 -0.44 -2.27 0.00 0.00 179.45 176.20 3hqp h ASP 193 N 0.01 0.43 -0.43 4.20 3.32 -1.90 -3.09 116.42 118.96 3hqp h ASP 193 Ca -0.00 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 3hqp h ASP 193 Cb 0.82 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 3hqp h ASP 193 CO 0.06 1.24 0.18 0.03 -1.72 0.00 0.00 179.24 179.02 3hqp h ARG 194 N 0.14 0.69 -0.61 3.56 3.08 -1.02 0.28 114.38 120.49 3hqp h ARG 194 Ca -0.09 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.76 3hqp h ARG 194 Cb 1.73 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.64 3hqp h ARG 194 CO 0.17 0.58 0.03 0.28 -1.07 0.00 0.00 179.97 179.97 3hqp h VAL 195 N 0.69 1.26 -0.22 2.04 2.07 -1.43 -2.47 116.25 118.18 3hqp h VAL 195 Ca 0.16 -1.11 -0.16 0.00 0.82 0.00 0.00 66.70 66.41 3hqp h VAL 195 Cb 0.16 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3hqp h VAL 195 CO -0.01 0.41 -0.49 0.44 0.02 0.00 0.00 177.57 177.94 3hqp h ASP 196 N 0.97 0.81 -0.28 0.57 3.32 -1.27 -2.92 116.42 117.63 3hqp h ASP 196 Ca 0.18 -0.56 -0.10 0.00 0.02 0.00 0.00 57.03 56.57 3hqp h ASP 196 Cb 0.52 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3hqp h ASP 196 CO 0.03 1.22 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.54 3hqp h LEU 197 N 0.44 0.72 -0.71 1.55 3.38 -0.49 -2.81 115.31 117.38 3hqp h LEU 197 Ca 0.00 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 3hqp h LEU 197 Cb 1.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3hqp h LEU 197 CO 0.11 0.88 -0.47 -0.61 0.09 0.00 0.00 178.44 178.44 3hqp h GLN 198 N 0.64 0.41 -0.80 1.13 5.75 -1.50 -2.85 115.11 117.89 3hqp h GLN 198 Ca 0.10 -0.23 -0.04 0.00 -0.15 0.00 0.00 58.65 58.33 3hqp h GLN 198 Cb 0.63 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.16 3hqp h GLN 198 CO 0.04 0.80 0.34 0.35 -2.65 0.00 0.00 178.83 177.72 3hqp h PHE 199 N 0.33 1.20 -0.08 3.99 3.57 -1.30 -1.78 116.94 122.86 3hqp h PHE 199 Ca 0.02 -0.08 -0.14 0.00 3.53 0.00 0.00 57.97 61.30 3hqp h PHE 199 Cb 0.95 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3hqp h PHE 199 CO 0.03 0.89 -0.57 0.78 -2.23 0.00 0.00 178.31 177.22 3hqp h GLY 200 N 1.15 0.29 0.90 2.40 0.00 -1.45 -1.07 103.07 105.29 3hqp h GLY 200 Ca 0.27 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 3hqp h GLY 200 CO -0.03 0.30 0.03 -2.08 0.00 0.00 0.00 176.54 174.77 3hqp h VAL 201 N 0.20 1.25 -0.55 4.60 2.07 -1.33 0.16 116.25 122.64 3hqp h VAL 201 Ca -0.00 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 3hqp h VAL 201 Cb 1.05 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 3hqp h VAL 201 CO 0.09 0.29 0.33 -0.33 0.02 0.00 0.00 177.57 177.96 3hqp h GLU 202 N 0.36 0.76 -0.03 1.57 5.08 -1.19 -2.56 114.58 118.57 3hqp h GLU 202 Ca 0.09 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3hqp h GLU 202 Cb 0.39 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3hqp h GLU 202 CO 0.01 0.56 0.00 1.04 -1.00 0.00 0.00 179.01 179.62 3hqp n GLN 203 N -4.64 1.55 -3.14 2.33 1.13 -0.42 -4.96 117.38 109.23 3hqp n GLN 203 Ca 0.03 -0.80 -0.14 0.00 -1.94 0.00 0.00 57.00 54.15 3hqp n GLN 203 Cb 0.06 -1.47 0.07 0.00 0.11 0.00 0.00 30.24 29.01 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 1.13 -0.40 3.76 1.08 0.00 0.27 -5.01 105.19 106.03 3hqp n GLY 204 Ca 0.19 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.31 3.11 -0.04 1.61 -7.23 0.29 -4.98 120.40 109.85 3hqp s VAL 205 Ca 0.11 0.44 0.12 0.00 -1.81 0.00 0.00 61.98 60.84 3hqp s VAL 205 Cb -0.01 -2.92 -0.23 0.00 0.56 0.00 0.00 36.38 33.78 3hqp s VAL 205 CO 0.62 -0.39 0.67 0.44 -0.31 0.00 0.00 175.10 176.13 3hqp h ASP 206 N -0.60 0.01 -5.08 4.85 3.32 -1.67 -3.46 116.42 113.78 3hqp h ASP 206 Ca -0.45 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 3hqp h ASP 206 Cb 1.25 -0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.66 3hqp h ASP 206 CO 0.52 1.02 -0.14 0.00 -1.72 0.00 0.00 179.24 178.91 3hqp s MET 207 N -2.60 1.00 -0.09 3.56 0.23 -1.18 -2.51 119.30 117.70 3hqp s MET 207 Ca -0.05 -0.69 0.03 0.00 -1.03 0.00 0.00 55.69 53.95 3hqp s MET 207 Cb 0.08 0.43 -0.01 0.00 -1.53 0.00 0.00 34.83 33.80 3hqp s MET 207 CO 0.82 -0.37 -0.18 0.42 -2.03 0.00 0.00 175.02 173.68 3hqp s ILE 208 N -3.57 2.63 -0.87 3.16 -1.09 0.51 -1.93 121.20 120.04 3hqp s ILE 208 Ca 0.02 -0.84 -0.15 0.00 -2.23 0.00 0.00 60.65 57.45 3hqp s ILE 208 Cb 0.02 -2.04 0.20 0.00 -1.58 0.00 0.00 42.46 39.06 3hqp s ILE 208 CO -0.10 0.55 0.88 -0.36 -1.23 0.00 0.00 174.94 174.68 3hqp s PHE 209 N 0.02 3.62 -0.21 3.97 0.08 0.13 -0.43 117.98 125.15 3hqp s PHE 209 Ca -0.06 -1.87 -0.29 0.00 0.12 0.00 0.00 56.93 54.83 3hqp s PHE 209 Cb -0.15 -3.94 -0.02 0.00 -0.57 0.00 0.00 43.02 38.34 3hqp s PHE 209 CO 0.05 -1.12 1.41 0.00 -0.10 0.00 0.00 175.22 175.46 3hqp s ALA 210 N 0.77 3.46 0.32 5.36 0.00 -0.15 -2.02 121.76 129.49 3hqp s ALA 210 Ca 0.22 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.32 3hqp s ALA 210 Cb -0.09 -3.75 -0.10 0.00 0.00 0.00 0.00 23.12 19.19 3hqp s ALA 210 CO -0.09 -1.60 0.96 -1.12 0.00 0.00 0.00 175.76 173.92 3hqp s SER 211 N 3.00 7.30 -1.06 0.00 0.01 -1.26 -0.97 113.70 120.72 3hqp s SER 211 Ca 0.62 1.89 -0.17 0.00 1.31 0.00 0.00 55.95 59.60 3hqp s SER 211 Cb -0.22 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.42 3hqp s SER 211 CO 0.23 -0.10 0.74 0.49 0.41 0.00 0.00 173.24 175.02 3hqp n PHE 212 N 0.62 -1.97 -3.19 2.43 3.72 -1.25 -4.32 117.46 113.49 3hqp n PHE 212 Ca 0.02 0.53 -0.40 0.00 -0.05 0.00 0.00 57.45 57.55 3hqp n PHE 212 Cb 0.49 -3.31 -0.06 0.00 -0.94 0.00 0.00 39.48 35.66 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 -3.35 5.06 0.00 4.37 1.09 -0.84 -4.63 121.20 122.91 3hqp s ILE 213 Ca 0.36 1.04 0.00 0.00 -1.10 0.00 0.00 60.65 60.94 3hqp s ILE 213 Cb -0.14 -3.88 0.00 0.00 -1.06 0.00 0.00 42.46 37.38 3hqp s ILE 213 CO 0.87 0.13 0.00 -2.11 -0.10 0.00 0.00 174.94 173.73 3hqp n ARG 214 N 5.05 4.82 -3.76 2.79 -4.01 -1.26 -4.18 116.66 116.11 3hqp n ARG 214 Ca -0.03 0.00 -0.10 0.00 -1.04 0.00 0.00 57.85 56.68 3hqp n ARG 214 Cb 0.50 -0.63 -0.06 0.00 -3.04 0.00 0.00 32.46 29.23 3hqp n ARG 214 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 3hqp s SER 215 N -1.25 -0.05 0.43 2.89 1.04 -1.26 -4.14 113.70 111.36 3hqp s SER 215 Ca 0.00 -0.45 0.23 0.00 0.48 0.00 0.00 55.95 56.22 3hqp s SER 215 Cb 0.00 0.39 0.87 0.00 0.10 0.00 0.00 66.02 67.38 3hqp s SER 215 CO 0.00 -0.75 1.81 0.00 0.98 0.00 0.00 173.24 175.28 3hqp h ALA 216 N 2.70 1.01 -0.52 5.32 0.00 -1.87 -2.97 119.26 122.94 3hqp h ALA 216 Ca -0.34 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 3hqp h ALA 216 Cb 1.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3hqp h ALA 216 CO 0.51 0.31 0.20 1.49 0.00 0.00 0.00 179.25 181.75 3hqp h GLU 217 N 0.00 0.79 -0.31 0.00 4.81 -1.96 -1.91 114.58 116.00 3hqp h GLU 217 Ca -0.00 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 3hqp h GLU 217 Cb 0.77 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 3hqp h GLU 217 CO 0.03 0.70 0.06 0.37 -0.73 0.00 0.00 179.01 179.44 3hqp h GLN 218 N 0.70 0.44 -0.20 1.92 4.15 -1.93 0.96 115.11 121.16 3hqp h GLN 218 Ca 0.17 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.44 3hqp h GLN 218 Cb 0.22 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 3hqp h GLN 218 CO -0.01 0.43 -0.21 0.28 -1.93 0.00 0.00 178.83 177.39 3hqp h VAL 219 N 0.44 1.33 -0.46 2.39 2.07 -1.40 -1.33 116.25 119.29 3hqp h VAL 219 Ca 0.10 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 3hqp h VAL 219 Cb 0.20 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3hqp h VAL 219 CO -0.00 0.42 0.24 1.23 0.02 0.00 0.00 177.57 179.48 3hqp h GLY 220 N 0.15 0.67 0.99 2.17 0.00 -1.04 -0.63 103.07 105.39 3hqp h GLY 220 Ca 0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 3hqp h GLY 220 CO 0.05 0.28 0.17 -0.55 0.00 0.00 0.00 176.54 176.49 3hqp h ASP 221 N 0.64 0.82 -0.03 0.19 3.32 -0.63 -0.43 116.42 120.30 3hqp h ASP 221 Ca 0.16 -0.21 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 3hqp h ASP 221 Cb 0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3hqp h ASP 221 CO -0.03 0.81 -0.25 0.58 -1.72 0.00 0.00 179.24 178.63 3hqp h VAL 222 N 0.78 1.26 -0.44 -1.35 2.07 -0.81 -2.44 116.25 115.33 3hqp h VAL 222 Ca 0.18 -1.25 -0.13 0.00 0.82 0.00 0.00 66.70 66.31 3hqp h VAL 222 Cb 0.28 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3hqp h VAL 222 CO -0.01 0.40 -0.24 -0.09 0.02 0.00 0.00 177.57 177.65 3hqp h ARG 223 N 0.39 0.93 -0.81 1.57 2.43 -0.85 -2.85 114.38 115.19 3hqp h ARG 223 Ca 0.06 -0.42 0.04 0.00 -0.81 0.00 0.00 59.98 58.85 3hqp h ARG 223 Cb 0.66 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 3hqp h ARG 223 CO 0.05 1.08 0.51 -0.22 -1.51 0.00 0.00 179.97 179.88 3hqp h LYS 224 N 0.77 0.95 -0.42 0.20 1.63 -0.98 -3.11 116.57 115.62 3hqp h LYS 224 Ca 0.09 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.80 3hqp h LYS 224 Cb 0.82 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 3hqp h LYS 224 CO 0.07 0.63 0.09 0.00 -3.45 0.00 0.00 179.45 176.79 3hqp h ALA 225 N 1.35 1.38 0.00 5.00 0.00 -1.22 -1.10 119.26 124.68 3hqp h ALA 225 Ca 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hqp h ALA 225 Cb 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hqp h ALA 225 CO -0.13 0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.84 3hqp n LEU 226 N -4.31 0.09 0.00 0.00 4.77 -1.11 -4.76 117.00 111.69 3hqp n LEU 226 Ca 0.03 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3hqp n LEU 226 Cb 0.21 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3hqp n LEU 226 CO 0.39 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 3hqp n GLY 227 N -0.08 -0.44 0.15 -0.72 0.00 -0.42 -2.56 105.19 101.12 3hqp n GLY 227 Ca 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 -0.39 1.61 0.11 -1.91 -3.33 132.00 128.09 3hqp h PRO 228 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 3hqp h PRO 228 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3hqp h PRO 228 CO 0.00 0.54 -0.10 0.87 -0.21 0.00 0.00 178.00 179.10 3hqp h LYS 229 N 0.00 0.75 -1.02 1.05 1.79 -2.00 -3.16 116.57 113.98 3hqp h LYS 229 Ca -0.01 -0.29 -0.66 0.00 -2.18 0.00 0.00 60.65 57.51 3hqp h LYS 229 Cb 0.97 -0.04 -0.31 0.00 -1.58 0.00 0.00 32.23 31.26 3hqp h LYS 229 CO 0.07 0.89 0.62 0.41 -1.08 0.00 0.00 179.45 180.36 3hqp n GLY 230 N -0.19 5.94 0.22 3.86 0.00 -1.06 -4.54 105.19 109.42 3hqp n GLY 230 Ca -0.01 -2.38 0.11 0.00 0.00 0.00 0.00 46.02 43.74 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 2.08 0.00 -0.12 1.61 0.11 -1.67 -2.93 114.38 113.46 3hqp h ARG 231 Ca 0.57 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.65 3hqp h ARG 231 Cb 0.88 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.96 3hqp h ARG 231 CO 1.46 0.14 0.00 -0.25 0.10 0.00 0.00 179.97 181.42 3hqp n ASP 232 N -3.19 1.22 -4.82 0.08 8.00 -1.26 -4.86 116.55 111.72 3hqp n ASP 232 Ca 0.02 -1.62 -0.36 0.00 0.71 0.00 0.00 54.79 53.54 3hqp n ASP 232 Cb 0.49 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.85 4.66 0.05 0.53 1.01 -1.11 -5.00 121.20 119.48 3hqp s ILE 233 Ca 0.32 1.14 -0.13 0.00 0.00 0.00 0.00 60.65 61.98 3hqp s ILE 233 Cb 0.16 -3.82 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 3hqp s ILE 233 CO 0.25 0.21 0.42 -0.04 0.00 0.00 0.00 174.94 175.79 3hqp s MET 234 N -1.98 3.85 -0.42 2.79 -1.94 -1.04 -4.97 119.30 115.60 3hqp s MET 234 Ca 0.41 0.32 -0.07 0.00 -1.71 0.00 0.00 55.69 54.64 3hqp s MET 234 Cb -0.16 -3.10 0.09 0.00 2.01 0.00 0.00 34.83 33.67 3hqp s MET 234 CO 0.20 0.62 0.24 0.42 -0.01 0.00 0.00 175.02 176.49 3hqp s ILE 235 N -1.25 3.92 -0.33 2.53 1.01 -1.26 -0.37 121.20 125.45 3hqp s ILE 235 Ca 0.29 -1.62 -0.18 0.00 0.00 0.00 0.00 60.65 59.14 3hqp s ILE 235 Cb -0.15 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 3hqp s ILE 235 CO 0.16 -0.57 0.52 -0.63 0.00 0.00 0.00 174.94 174.42 3hqp s ILE 236 N 1.34 5.02 -0.19 2.92 -1.09 0.43 -1.37 121.20 128.26 3hqp s ILE 236 Ca 0.04 0.50 -0.20 0.00 -2.23 0.00 0.00 60.65 58.76 3hqp s ILE 236 Cb -0.23 -3.93 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 3hqp s ILE 236 CO -0.00 -0.14 0.58 0.00 -1.23 0.00 0.00 174.94 174.15 3hqp s LYS 238 N 1.71 4.31 -0.42 0.00 1.02 -0.15 -0.68 119.74 125.54 3hqp s LYS 238 Ca 0.27 0.84 -0.12 0.00 0.02 0.00 0.00 55.97 56.98 3hqp s LYS 238 Cb -0.16 -3.53 0.05 0.00 -0.52 0.00 0.00 37.83 33.67 3hqp s LYS 238 CO 0.10 -0.17 0.28 0.42 -0.92 0.00 0.00 175.35 175.06 3hqp s ILE 239 N 1.63 4.69 0.00 2.17 -1.09 -0.49 -1.98 121.20 126.13 3hqp s ILE 239 Ca 0.35 -1.07 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 3hqp s ILE 239 Cb -0.17 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 3hqp s ILE 239 CO 0.13 -0.42 0.85 -1.84 -1.23 0.00 0.00 174.94 172.43 3hqp n GLU 240 N 5.04 0.00 -4.24 2.79 0.28 -1.26 -2.67 120.64 120.58 3hqp n GLU 240 Ca -0.11 -0.84 -0.17 0.00 -0.16 0.00 0.00 57.16 55.88 3hqp n GLU 240 Cb 0.44 -0.49 -0.08 0.00 1.43 0.00 0.00 31.44 32.74 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 -0.70 1.18 0.13 -1.84 2.20 -1.26 -2.57 114.94 112.08 3hqp s ASN 241 Ca 0.00 -1.63 -0.15 0.00 -0.94 0.00 0.00 52.86 50.14 3hqp s ASN 241 Cb 0.00 0.52 -0.01 0.00 -2.00 0.00 0.00 41.25 39.76 3hqp s ASN 241 CO 0.00 -1.02 1.63 -0.74 -2.94 0.00 0.00 177.10 174.03 3hqp h HIS 242 N 2.27 0.69 -0.85 1.54 -0.00 -1.95 -3.04 115.15 113.80 3hqp h HIS 242 Ca -0.28 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 59.98 3hqp h HIS 242 Cb 1.24 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 28.42 3hqp h HIS 242 CO 1.31 0.66 0.44 1.96 -0.00 0.00 0.00 177.93 182.30 3hqp h GLN 243 N 0.51 1.20 -0.22 5.26 4.20 -1.95 -1.99 115.11 122.13 3hqp h GLN 243 Ca 0.13 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.72 3hqp h GLN 243 Cb 0.32 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 3hqp h GLN 243 CO 0.00 0.90 -0.02 0.78 -0.67 0.00 0.00 178.83 179.82 3hqp h GLY 244 N 1.20 0.19 1.19 3.46 0.00 -1.69 0.41 103.07 107.82 3hqp h GLY 244 Ca 0.30 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.63 3hqp h GLY 244 CO -0.04 -0.06 0.27 -2.08 0.00 0.00 0.00 176.54 174.62 3hqp h VAL 245 N 0.04 1.24 -0.24 4.60 2.07 -1.45 -1.90 116.25 120.62 3hqp h VAL 245 Ca 0.11 -0.77 -0.13 0.00 0.82 0.00 0.00 66.70 66.73 3hqp h VAL 245 Cb 0.15 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3hqp h VAL 245 CO -0.20 0.31 -0.38 -0.61 0.02 0.00 0.00 177.57 176.71 3hqp h GLN 246 N 1.01 0.54 -0.69 1.57 4.15 -0.57 -3.15 115.11 117.98 3hqp h GLN 246 Ca 0.23 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3hqp h GLN 246 Cb 0.21 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3hqp h GLN 246 CO -0.02 0.84 0.00 0.09 -1.93 0.00 0.00 178.83 177.81 3hqp n ASN 247 N -4.04 4.44 -0.28 -0.69 3.02 0.14 -4.73 115.26 113.12 3hqp n ASN 247 Ca -0.01 -2.29 0.09 0.00 -0.03 0.00 0.00 54.58 52.34 3hqp n ASN 247 Cb 0.50 -0.55 0.24 0.00 -0.61 0.00 0.00 39.78 39.36 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 4.15 0.50 0.15 2.41 6.09 -1.30 -1.16 117.51 128.34 3hqp h ILE 248 Ca 0.00 -0.12 -0.01 0.00 -1.37 0.00 0.00 64.86 63.36 3hqp h ILE 248 Cb 1.28 0.12 0.00 0.00 0.47 0.00 0.00 36.82 38.69 3hqp h ILE 248 CO 0.15 0.06 -0.07 0.44 -3.07 0.00 0.00 178.15 175.66 3hqp h ASP 249 N 0.35 -0.18 -0.26 2.19 5.19 -1.87 0.26 116.42 122.10 3hqp h ASP 249 Ca 0.49 -0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.78 3hqp h ASP 249 Cb 0.88 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.42 3hqp h ASP 249 CO -0.52 -0.09 -0.17 0.77 -3.12 0.00 0.00 179.24 176.11 3hqp h SER 250 N -0.24 0.70 0.23 6.45 4.64 -1.83 -2.56 113.55 120.94 3hqp h SER 250 Ca -0.02 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 3hqp h SER 250 Cb 0.19 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hqp h SER 250 CO 0.03 0.88 -0.11 0.40 -0.87 0.00 0.00 176.83 177.16 3hqp h ILE 251 N 0.63 0.78 -0.64 0.95 2.04 -0.99 -2.95 117.51 117.34 3hqp h ILE 251 Ca 0.10 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 66.02 3hqp h ILE 251 Cb 0.64 0.82 -0.10 0.00 -0.74 0.00 0.00 36.82 37.44 3hqp h ILE 251 CO 0.04 0.02 0.07 0.40 0.00 0.00 0.00 178.15 178.69 3hqp h ILE 252 N -0.35 0.54 -0.79 -0.67 2.04 -0.36 0.66 117.51 118.57 3hqp h ILE 252 Ca -0.03 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 65.85 3hqp h ILE 252 Cb 0.27 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 3hqp h ILE 252 CO 0.05 0.03 0.45 -0.08 0.00 0.00 0.00 178.15 178.61 3hqp h GLU 253 N 0.19 0.75 0.12 2.37 4.57 -1.38 -2.92 114.58 118.28 3hqp h GLU 253 Ca 0.34 -0.05 -0.28 0.00 -1.18 0.00 0.00 59.36 58.20 3hqp h GLU 253 Cb 0.55 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3hqp h GLU 253 CO -0.49 0.50 -1.22 0.93 -1.18 0.00 0.00 179.01 177.54 3hqp h GLU 254 N 0.78 0.34 -7.43 1.92 4.39 -1.13 -3.47 114.58 109.97 3hqp h GLU 254 Ca 0.38 -0.53 -0.48 0.00 0.34 0.00 0.00 59.36 59.07 3hqp h GLU 254 Cb 0.32 0.19 0.12 0.00 -0.10 0.00 0.00 28.75 29.28 3hqp h GLU 254 CO -0.23 1.24 0.31 -1.54 -1.16 0.00 0.00 179.01 177.63 3hqp s SER 255 N -7.20 4.03 -0.00 1.42 1.04 0.13 -4.98 113.70 108.14 3hqp s SER 255 Ca -0.05 1.20 0.22 0.00 0.48 0.00 0.00 55.95 57.80 3hqp s SER 255 Cb 0.07 -1.87 -0.29 0.00 0.10 0.00 0.00 66.02 64.03 3hqp s SER 255 CO 0.89 -2.25 0.58 0.47 0.98 0.00 0.00 173.24 173.91 3hqp n ASP 256 N -3.60 0.16 -3.71 7.02 10.43 -0.47 -4.93 116.55 121.45 3hqp n ASP 256 Ca 0.07 -0.04 -0.03 0.00 2.57 0.00 0.00 54.79 57.36 3hqp n ASP 256 Cb 0.57 1.75 -0.01 0.00 1.84 0.00 0.00 41.12 45.28 3hqp n ASP 256 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3hqp s GLY 257 N -4.39 -0.21 -0.04 0.44 0.00 -1.18 -3.73 107.32 98.22 3hqp s GLY 257 Ca -0.06 0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.78 3hqp s GLY 257 CO 0.89 0.18 -0.06 -0.42 0.00 0.00 0.00 173.10 173.69 3hqp s ILE 258 N -3.15 0.60 -0.20 0.90 -1.09 -0.22 -0.74 121.20 117.30 3hqp s ILE 258 Ca 0.13 -0.19 -0.09 0.00 -2.23 0.00 0.00 60.65 58.27 3hqp s ILE 258 Cb -0.01 -0.59 -0.05 0.00 -1.58 0.00 0.00 42.46 40.23 3hqp s ILE 258 CO 0.02 0.22 0.11 -0.32 -1.23 0.00 0.00 174.94 173.74 3hqp s MET 259 N 0.67 4.08 -1.08 2.79 -2.45 0.14 0.14 119.30 123.60 3hqp s MET 259 Ca -0.09 -0.28 -0.20 0.00 -1.25 0.00 0.00 55.69 53.87 3hqp s MET 259 Cb -0.13 -3.35 0.09 0.00 1.25 0.00 0.00 34.83 32.69 3hqp s MET 259 CO 0.01 0.26 1.43 0.08 1.05 0.00 0.00 175.02 177.85 3hqp s VAL 260 N 0.46 4.29 -1.15 10.11 1.01 0.23 -1.40 120.40 133.95 3hqp s VAL 260 Ca 0.06 -1.43 -0.21 0.00 0.00 0.00 0.00 61.98 60.40 3hqp s VAL 260 Cb -0.12 -5.01 0.03 0.00 0.00 0.00 0.00 36.38 31.28 3hqp s VAL 260 CO -0.00 -1.82 1.70 0.00 0.00 0.00 0.00 175.10 174.97 3hqp s ALA 261 N 3.87 2.71 0.10 5.51 0.00 -1.09 -2.71 121.76 130.15 3hqp s ALA 261 Ca 0.44 -2.43 0.25 0.00 0.00 0.00 0.00 51.96 50.23 3hqp s ALA 261 Cb -0.01 -4.60 0.95 0.00 0.00 0.00 0.00 23.12 19.46 3hqp s ALA 261 CO -0.05 -3.86 1.84 0.00 0.00 0.00 0.00 175.76 173.69 3hqp h ARG 262 N 9.05 0.00 0.72 0.00 3.08 -1.82 -2.72 114.38 122.68 3hqp h ARG 262 Ca 0.29 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.31 3hqp h ARG 262 Cb 0.94 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.00 3hqp h ARG 262 CO 1.39 0.18 -0.34 0.78 -1.07 0.00 0.00 179.97 180.91 3hqp h GLY 263 N 2.18 -1.01 0.85 0.04 0.00 -1.87 0.86 103.07 104.13 3hqp h GLY 263 Ca -0.00 0.37 -0.14 0.00 0.00 0.00 0.00 47.33 47.56 3hqp h GLY 263 CO 0.02 -0.37 -0.48 -0.55 0.00 0.00 0.00 176.54 175.17 3hqp h ASP 264 N -1.02 0.59 -0.53 0.19 3.32 -1.84 -3.18 116.42 113.94 3hqp h ASP 264 Ca -0.10 -0.64 0.09 0.00 0.02 0.00 0.00 57.03 56.39 3hqp h ASP 264 Cb 0.75 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 3hqp h ASP 264 CO 0.16 1.14 0.36 0.25 -1.72 0.00 0.00 179.24 179.43 3hqp h LEU 265 N 0.08 0.32 0.00 1.55 5.85 -1.20 -0.80 115.31 121.11 3hqp h LEU 265 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3hqp h LEU 265 Cb 1.13 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3hqp h LEU 265 CO 0.10 0.20 0.00 0.61 -0.34 0.00 0.00 178.44 179.01 3hqp n GLY 266 N -1.53 -0.89 0.08 3.75 0.00 0.30 -1.80 105.19 105.10 3hqp n GLY 266 Ca 0.08 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 3hqp n GLY 266 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hqp n VAL 267 N -1.28 0.89 -0.02 1.61 0.31 -0.40 -4.00 118.33 115.45 3hqp n VAL 267 Ca 0.09 -0.39 -0.08 0.00 -0.01 0.00 0.00 64.34 63.95 3hqp n VAL 267 Cb 0.15 -0.98 0.09 0.00 -0.91 0.00 0.00 33.84 32.19 3hqp n VAL 267 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3hqp h GLU 268 N 0.00 0.59 -6.23 5.55 4.57 -1.15 -3.44 114.58 114.47 3hqp h GLU 268 Ca -0.35 -0.31 -0.59 0.00 -1.18 0.00 0.00 59.36 56.93 3hqp h GLU 268 Cb 1.59 0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 30.07 3hqp h GLU 268 CO -0.04 0.90 -0.71 0.96 -1.18 0.00 0.00 179.01 178.94 3hqp s ILE 269 N -4.24 2.94 0.29 2.32 -4.36 -0.74 -4.68 121.20 112.73 3hqp s ILE 269 Ca -0.08 -2.14 -0.29 0.00 -0.26 0.00 0.00 60.65 57.88 3hqp s ILE 269 Cb 0.12 -2.55 -0.13 0.00 1.25 0.00 0.00 42.46 41.15 3hqp s ILE 269 CO 0.83 -0.36 1.23 -2.65 0.24 0.00 0.00 174.94 174.22 3hqp n PRO 270 N -0.68 1.82 -0.31 0.37 -0.02 -1.26 -4.54 135.00 130.39 3hqp n PRO 270 Ca -0.06 0.64 0.12 0.00 -2.02 0.00 0.00 63.50 62.18 3hqp n PRO 270 Cb 0.59 -2.17 0.35 0.00 -0.02 0.00 0.00 33.50 32.25 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 2.80 1.76 0.00 3.55 0.00 -1.90 -0.52 119.26 124.95 3hqp h ALA 271 Ca -0.44 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3hqp h ALA 271 Cb 1.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3hqp h ALA 271 CO 0.65 -0.04 -0.20 1.05 0.00 0.00 0.00 179.25 180.72 3hqp h GLU 272 N 0.75 0.00 0.00 0.00 9.09 -1.93 -2.85 114.58 119.64 3hqp h GLU 272 Ca 0.49 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.85 3hqp h GLU 272 Cb 0.76 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.85 3hqp h GLU 272 CO -0.26 0.20 -0.24 0.87 0.05 0.00 0.00 179.01 179.64 3hqp h LYS 273 N 0.00 0.00 -0.78 1.06 1.79 -1.44 -3.14 116.57 114.06 3hqp h LYS 273 Ca -0.00 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.60 3hqp h LYS 273 Cb 0.51 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.11 3hqp h LYS 273 CO 0.03 0.24 0.52 0.28 -1.08 0.00 0.00 179.45 179.43 3hqp h VAL 274 N 0.00 0.83 0.06 0.50 2.07 -1.56 -1.09 116.25 117.07 3hqp h VAL 274 Ca -0.00 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3hqp h VAL 274 Cb 0.69 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3hqp h VAL 274 CO 0.03 0.10 -0.03 0.58 0.02 0.00 0.00 177.57 178.27 3hqp h VAL 275 N 0.52 1.01 -0.41 2.57 2.07 -1.75 0.18 116.25 120.45 3hqp h VAL 275 Ca 0.38 -0.24 -0.15 0.00 0.82 0.00 0.00 66.70 67.51 3hqp h VAL 275 Cb 0.74 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3hqp h VAL 275 CO -0.14 0.06 -0.33 0.58 0.02 0.00 0.00 177.57 177.76 3hqp h VAL 276 N -0.19 1.27 -0.28 2.57 2.07 -1.66 -1.94 116.25 118.09 3hqp h VAL 276 Ca -0.01 -1.50 0.02 0.00 0.82 0.00 0.00 66.70 66.04 3hqp h VAL 276 Cb 0.16 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3hqp h VAL 276 CO 0.01 0.50 0.12 0.00 0.02 0.00 0.00 177.57 178.23 3hqp h ALA 277 N 0.84 0.33 -0.38 1.67 0.00 -1.10 0.72 119.26 121.34 3hqp h ALA 277 Ca 0.08 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3hqp h ALA 277 Cb 0.91 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3hqp h ALA 277 CO 0.08 -0.28 0.06 0.37 0.00 0.00 0.00 179.25 179.48 3hqp h GLN 278 N 0.26 0.17 -0.46 0.00 4.15 -0.56 0.54 115.11 119.21 3hqp h GLN 278 Ca 0.12 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.60 3hqp h GLN 278 Cb 0.06 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.65 3hqp h GLN 278 CO -0.10 0.11 0.12 0.87 -1.93 0.00 0.00 178.83 177.90 3hqp h LYS 279 N 0.18 0.26 0.35 1.69 1.57 -0.74 -2.11 116.57 117.77 3hqp h LYS 279 Ca 0.19 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3hqp h LYS 279 Cb 0.23 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3hqp h LYS 279 CO -0.26 0.17 -0.17 0.82 -0.57 0.00 0.00 179.45 179.44 3hqp h ILE 280 N 0.26 0.67 -0.45 1.86 2.04 -0.27 -2.72 117.51 118.90 3hqp h ILE 280 Ca 0.22 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 3hqp h ILE 280 Cb 0.27 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3hqp h ILE 280 CO -0.27 0.06 0.08 -0.07 0.00 0.00 0.00 178.15 177.94 3hqp h LEU 281 N -0.64 0.71 0.04 1.44 3.38 -0.85 -1.61 115.31 117.79 3hqp h LEU 281 Ca -0.05 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3hqp h LEU 281 Cb 0.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3hqp h LEU 281 CO 0.08 0.79 -0.04 0.40 0.09 0.00 0.00 178.44 179.76 3hqp h ILE 282 N 0.61 0.90 -0.68 1.22 2.04 -1.47 -2.39 117.51 117.74 3hqp h ILE 282 Ca 0.14 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 3hqp h ILE 282 Cb 0.38 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3hqp h ILE 282 CO 0.01 0.00 0.37 0.28 0.00 0.00 0.00 178.15 178.81 3hqp h SER 283 N -0.09 0.86 -0.64 1.72 0.02 -1.39 -1.65 113.55 112.38 3hqp h SER 283 Ca 0.01 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 3hqp h SER 283 Cb 0.09 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3hqp h SER 283 CO -0.02 0.71 0.33 0.11 -1.14 0.00 0.00 176.83 176.82 3hqp h LYS 284 N 0.94 0.93 -0.31 3.45 1.57 -1.22 -2.17 116.57 119.75 3hqp h LYS 284 Ca 0.24 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 3hqp h LYS 284 Cb 0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3hqp h LYS 284 CO -0.04 0.71 -0.42 0.00 -0.57 0.00 0.00 179.45 179.13 3hqp h ASN 286 N 0.63 0.76 -0.07 0.00 -0.26 -0.91 0.20 115.58 115.91 3hqp h ASN 286 Ca 0.04 -0.01 -0.19 0.00 -0.56 0.00 0.00 56.30 55.59 3hqp h ASN 286 Cb 0.99 -0.17 0.01 0.00 -1.06 0.00 0.00 38.32 38.09 3hqp h ASN 286 CO 0.09 0.51 -0.71 0.58 -1.06 0.00 0.00 177.43 176.85 3hqp h VAL 287 N 0.87 1.34 0.00 2.81 2.07 -1.25 -3.24 116.25 118.85 3hqp h VAL 287 Ca 0.30 -2.00 -0.06 0.00 0.82 0.00 0.00 66.70 65.75 3hqp h VAL 287 Cb 0.10 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3hqp h VAL 287 CO -0.09 0.61 -0.30 0.00 0.02 0.00 0.00 177.57 177.81 3hqp h ALA 288 N 0.45 1.48 -0.01 1.67 0.00 -0.96 -3.47 119.26 118.42 3hqp h ALA 288 Ca -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hqp h ALA 288 Cb 1.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3hqp h ALA 288 CO 0.14 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.18 3hqp n GLY 289 N -0.65 0.92 3.35 0.00 0.00 0.62 -5.08 105.19 104.35 3hqp n GLY 289 Ca -0.02 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.00 1.99 0.39 1.61 1.02 -0.73 -4.83 119.74 116.18 3hqp s LYS 290 Ca 0.00 -1.01 -0.24 0.00 0.02 0.00 0.00 55.97 54.74 3hqp s LYS 290 Cb 0.00 -2.05 -0.12 0.00 -0.52 0.00 0.00 37.83 35.14 3hqp s LYS 290 CO 0.00 0.54 0.82 -2.30 -0.92 0.00 0.00 175.35 173.49 3hqp n PRO 291 N 2.02 1.00 -3.86 -1.68 -0.02 -1.24 -4.44 135.00 126.78 3hqp n PRO 291 Ca -0.17 0.36 -0.13 0.00 -2.02 0.00 0.00 63.50 61.54 3hqp n PRO 291 Cb 0.52 -1.76 -0.15 0.00 -0.02 0.00 0.00 33.50 32.08 3hqp n PRO 291 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hqp s VAL 292 N -1.29 0.01 -0.08 -1.45 0.11 -1.26 -1.06 120.40 115.38 3hqp s VAL 292 Ca 0.63 0.06 0.04 0.00 -2.93 0.00 0.00 61.98 59.77 3hqp s VAL 292 Cb -0.62 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 3hqp s VAL 292 CO 0.58 0.04 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.56 3hqp s ILE 293 N 0.37 2.50 -0.17 7.04 1.01 0.12 -1.43 121.20 130.64 3hqp s ILE 293 Ca -0.03 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.64 3hqp s ILE 293 Cb -0.05 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 3hqp s ILE 293 CO -0.01 0.56 0.13 0.00 0.00 0.00 0.00 174.94 175.62 3hqp s ALA 295 N -0.15 0.54 0.01 0.00 0.00 -1.10 -2.11 121.76 118.95 3hqp s ALA 295 Ca 0.10 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3hqp s ALA 295 Cb -0.11 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.37 3hqp s ALA 295 CO 0.00 -0.39 0.00 2.41 0.00 0.00 0.00 175.76 177.78 3hqp n THR 296 N 0.08 -2.32 -2.79 0.00 -1.04 -1.26 -3.71 114.28 103.23 3hqp n THR 296 Ca -0.13 0.12 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 3hqp n THR 296 Cb 0.61 -2.04 0.02 0.00 -1.82 0.00 0.00 70.33 67.10 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 0.03 -3.70 0.04 -2.82 6.02 -1.26 -4.79 117.38 110.90 3hqp n GLN 297 Ca 0.00 0.94 -0.19 0.00 -0.01 0.00 0.00 57.00 57.74 3hqp n GLN 297 Cb 0.00 -5.74 -0.13 0.00 1.02 0.00 0.00 30.24 25.40 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 -0.87 0.41 -0.93 -1.09 2.86 -1.87 -3.33 114.93 110.11 3hqp h MET 298 Ca -0.52 -0.55 -0.51 0.00 -2.06 0.00 0.00 59.70 56.07 3hqp h MET 298 Cb 1.37 0.18 -0.42 0.00 0.06 0.00 0.00 31.60 32.79 3hqp h MET 298 CO 0.58 1.21 -0.86 1.28 1.06 0.00 0.00 176.91 180.18 3hqp n LEU 299 N -4.10 4.21 -0.25 1.22 4.77 -1.26 -4.57 117.00 117.02 3hqp n LEU 299 Ca -0.12 -4.58 -0.02 0.00 -0.03 0.00 0.00 56.01 51.25 3hqp n LEU 299 Cb 0.79 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.71 3hqp n LEU 299 CO 0.50 1.97 0.66 -0.08 -1.33 0.00 0.00 177.39 179.10 3hqp h GLU 300 N 2.40 -0.07 0.00 3.23 4.57 -1.96 -1.28 114.58 121.46 3hqp h GLU 300 Ca 0.25 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3hqp h GLU 300 Cb 1.31 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.92 3hqp h GLU 300 CO 0.69 -0.05 -0.01 0.66 -1.18 0.00 0.00 179.01 179.13 3hqp h SER 301 N -0.08 0.00 0.00 1.04 4.64 -1.92 -1.18 113.55 116.05 3hqp h SER 301 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3hqp h SER 301 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3hqp h SER 301 CO -0.76 0.01 0.00 0.23 -0.87 0.00 0.00 176.83 175.43 3hqp n MET 302 N -3.16 0.83 0.14 4.77 2.81 -0.48 -0.82 117.12 121.20 3hqp n MET 302 Ca -0.02 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.86 3hqp n MET 302 Cb 0.12 -1.25 0.25 0.00 -0.71 0.00 0.00 33.22 31.63 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 1.35 0.00 2.03 2.02 -1.36 -3.37 112.91 113.58 3hqp h THR 303 Ca 0.00 -1.67 -0.05 0.00 0.77 0.00 0.00 66.41 65.47 3hqp h THR 303 Cb 0.00 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3hqp h THR 303 CO 0.00 0.48 -1.18 -1.22 0.37 0.00 0.00 175.52 173.97 3hqp n TYR 304 N -3.97 0.00 -4.33 3.16 4.02 -0.92 -1.39 117.16 113.74 3hqp n TYR 304 Ca -0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.55 3hqp n TYR 304 Cb 0.51 -0.13 -0.09 0.00 -0.02 0.00 0.00 39.34 39.60 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 -3.40 4.96 0.56 7.72 -0.87 -0.00 -4.91 114.94 118.99 3hqp s ASN 305 Ca -0.02 -0.06 0.34 0.00 -1.57 0.00 0.00 52.86 51.55 3hqp s ASN 305 Cb 0.01 -1.25 1.56 0.00 -0.02 0.00 0.00 41.25 41.54 3hqp s ASN 305 CO 0.11 0.28 2.07 1.55 -2.57 0.00 0.00 177.10 178.53 3hqp h PRO 306 N 4.37 0.00 -6.07 -0.60 0.13 -1.87 -3.36 132.00 124.60 3hqp h PRO 306 Ca -0.49 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.07 3hqp h PRO 306 Cb 1.17 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.05 3hqp h PRO 306 CO 0.56 0.05 -0.84 1.03 -0.23 0.00 0.00 178.00 178.58 3hqp s ARG 307 N -3.87 1.32 0.61 0.86 0.52 -1.26 -4.87 118.95 112.26 3hqp s ARG 307 Ca -0.01 -0.97 -0.06 0.00 -0.52 0.00 0.00 55.73 54.17 3hqp s ARG 307 Cb 0.11 -1.46 0.02 0.00 0.52 0.00 0.00 34.95 34.14 3hqp s ARG 307 CO 0.53 0.37 0.91 -1.25 0.02 0.00 0.00 175.30 175.89 3hqp s PRO 308 N -1.31 2.74 0.87 3.54 0.04 -1.26 -4.61 135.00 135.01 3hqp s PRO 308 Ca 0.07 -0.12 -0.13 0.00 0.04 0.00 0.00 61.00 60.86 3hqp s PRO 308 Cb -0.09 -2.27 0.12 0.00 0.04 0.00 0.00 34.50 32.31 3hqp s PRO 308 CO 0.02 -0.82 1.21 0.95 0.04 0.00 0.00 177.00 178.40 3hqp s THR 309 N -3.03 1.99 0.14 1.26 -4.23 -1.26 -4.93 115.64 105.58 3hqp s THR 309 Ca 0.55 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.95 3hqp s THR 309 Cb -0.11 -2.95 -0.05 0.00 1.34 0.00 0.00 72.50 70.74 3hqp s THR 309 CO 0.44 0.00 1.46 0.03 -0.54 0.00 0.00 174.62 176.02 3hqp h ARG 310 N -1.31 0.94 -0.72 3.99 2.47 -2.00 -2.60 114.38 115.15 3hqp h ARG 310 Ca -0.46 -0.51 0.05 0.00 -1.26 0.00 0.00 59.98 57.80 3hqp h ARG 310 Cb 1.31 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 29.60 3hqp h ARG 310 CO 0.58 1.16 0.43 0.00 0.56 0.00 0.00 179.97 182.70 3hqp h ALA 311 N 0.76 0.97 -0.06 0.04 0.00 -1.99 -1.73 119.26 117.26 3hqp h ALA 311 Ca 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hqp h ALA 311 Cb 1.01 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3hqp h ALA 311 CO 0.10 0.15 0.02 0.93 0.00 0.00 0.00 179.25 180.45 3hqp h GLU 312 N 0.80 0.09 -0.25 0.00 5.08 -1.78 0.19 114.58 118.72 3hqp h GLU 312 Ca 0.31 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.71 3hqp h GLU 312 Cb 0.13 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 3hqp h GLU 312 CO -0.16 0.27 -0.11 0.28 -1.00 0.00 0.00 179.01 178.30 3hqp h VAL 313 N -0.11 0.65 -0.50 3.13 2.07 -1.39 -1.64 116.25 118.46 3hqp h VAL 313 Ca 0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.61 3hqp h VAL 313 Cb 0.22 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3hqp h VAL 313 CO -0.00 0.00 0.17 -1.28 0.02 0.00 0.00 177.57 176.48 3hqp h SER 314 N -0.06 0.17 -0.25 0.57 0.87 -1.14 -2.43 113.55 111.26 3hqp h SER 314 Ca 0.13 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 3hqp h SER 314 Cb 0.26 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3hqp h SER 314 CO -0.30 0.12 0.05 -0.78 -0.53 0.00 0.00 176.83 175.39 3hqp h ASP 315 N 0.35 0.40 -0.16 6.23 3.58 0.02 -1.00 116.42 125.83 3hqp h ASP 315 Ca 0.24 -0.25 0.02 0.00 0.42 0.00 0.00 57.03 57.46 3hqp h ASP 315 Cb 0.26 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3hqp h ASP 315 CO -0.25 0.55 0.03 0.58 -2.88 0.00 0.00 179.24 177.27 3hqp h VAL 316 N 0.23 0.93 -0.77 2.25 2.07 -1.27 -2.12 116.25 117.57 3hqp h VAL 316 Ca 0.08 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.60 3hqp h VAL 316 Cb 0.32 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3hqp h VAL 316 CO 0.00 0.02 0.51 0.00 0.02 0.00 0.00 177.57 178.12 3hqp h ALA 317 N 1.11 1.53 0.00 1.67 0.00 -1.30 -2.48 119.26 119.80 3hqp h ALA 317 Ca 0.07 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3hqp h ALA 317 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3hqp h ALA 317 CO -0.09 0.39 -0.35 -0.91 0.00 0.00 0.00 179.25 178.29 3hqp h ASN 318 N 0.95 0.00 -0.22 0.00 2.35 -0.95 -1.37 115.58 116.34 3hqp h ASN 318 Ca 0.30 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 3hqp h ASN 318 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3hqp h ASN 318 CO -0.09 0.35 0.10 0.00 -1.65 0.00 0.00 177.43 176.14 3hqp h ALA 319 N 1.65 0.28 -0.47 -0.83 0.00 -0.92 0.28 119.26 119.26 3hqp h ALA 319 Ca -0.00 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3hqp h ALA 319 Cb 1.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3hqp h ALA 319 CO 0.05 -0.14 0.22 0.28 0.00 0.00 0.00 179.25 179.66 3hqp h VAL 320 N 0.21 0.94 -0.84 0.00 2.07 -1.42 -1.61 116.25 115.61 3hqp h VAL 320 Ca 0.07 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3hqp h VAL 320 Cb 0.15 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3hqp h VAL 320 CO -0.01 0.08 0.49 -0.26 0.02 0.00 0.00 177.57 177.89 3hqp h PHE 321 N 0.44 1.11 -0.48 1.57 0.04 -0.95 -1.80 116.94 116.87 3hqp h PHE 321 Ca 0.21 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.92 3hqp h PHE 321 Cb 0.14 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 3hqp h PHE 321 CO -0.11 0.75 0.12 -0.91 -0.60 0.00 0.00 178.31 177.56 3hqp h ASN 322 N 1.16 0.67 0.00 2.17 -0.26 -0.13 -3.47 115.58 115.71 3hqp h ASN 322 Ca 0.30 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 3hqp h ASN 322 Cb -0.02 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.07 3hqp h ASN 322 CO -0.05 0.66 0.00 0.61 -1.06 0.00 0.00 177.43 177.59 3hqp n GLY 323 N -0.94 1.79 3.77 2.83 0.00 -0.68 -4.68 105.19 107.28 3hqp n GLY 323 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 3.11 0.03 4.61 0.00 -0.71 -4.91 121.76 121.90 3hqp s ALA 324 Ca 0.00 1.03 -0.18 0.00 0.00 0.00 0.00 51.96 52.81 3hqp s ALA 324 Cb 0.00 -3.41 -0.22 0.00 0.00 0.00 0.00 23.12 19.49 3hqp s ALA 324 CO 0.00 -0.66 1.16 -0.44 0.00 0.00 0.00 175.76 175.81 3hqp h ASP 325 N 2.43 0.65 -3.89 0.00 5.19 -1.56 -3.45 116.42 115.79 3hqp h ASP 325 Ca -0.49 -0.72 -0.44 0.00 -0.62 0.00 0.00 57.03 54.75 3hqp h ASP 325 Cb 1.24 -0.20 -0.18 0.00 0.18 0.00 0.00 39.33 40.38 3hqp h ASP 325 CO 0.62 1.28 -0.76 0.00 -3.12 0.00 0.00 179.24 177.25 3hqp s VAL 327 N -2.16 1.47 0.12 0.00 -7.23 0.46 -2.26 120.40 110.79 3hqp s VAL 327 Ca 0.11 -0.75 0.06 0.00 -1.81 0.00 0.00 61.98 59.59 3hqp s VAL 327 Cb -0.05 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 3hqp s VAL 327 CO 0.04 0.42 -0.01 -0.32 -0.31 0.00 0.00 175.10 174.92 3hqp s MET 328 N -0.07 2.45 -0.11 4.82 1.75 -0.90 -1.44 119.30 125.80 3hqp s MET 328 Ca -0.02 -0.96 0.02 0.00 -1.25 0.00 0.00 55.69 53.49 3hqp s MET 328 Cb -0.11 -2.45 0.01 0.00 2.84 0.00 0.00 34.83 35.13 3hqp s MET 328 CO 0.02 0.51 -0.19 -0.51 -0.65 0.00 0.00 175.02 174.19 3hqp s LEU 329 N -2.53 1.91 0.00 4.11 1.43 0.16 -4.48 118.68 119.27 3hqp s LEU 329 Ca 0.26 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3hqp s LEU 329 Cb -0.11 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.87 3hqp s LEU 329 CO 0.18 0.06 0.00 -1.20 0.23 0.00 0.00 176.35 175.62 3hqp n SER 330 N 4.00 0.00 0.18 2.29 7.64 -1.26 -1.04 113.62 125.43 3hqp n SER 330 Ca -0.20 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.75 3hqp n SER 330 Cb 0.52 0.00 0.57 0.00 -1.01 0.00 0.00 64.21 64.29 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 0.18 -0.15 0.23 0.00 -1.97 -0.87 103.07 100.48 3hqp h GLY 331 Ca 0.00 -0.07 0.25 0.00 0.00 0.00 0.00 47.33 47.51 3hqp h GLY 331 CO 0.00 0.06 0.60 0.83 0.00 0.00 0.00 176.54 178.03 3hqp h GLU 332 N 0.17 0.55 0.00 4.80 3.07 -1.89 -1.72 114.58 119.57 3hqp h GLU 332 Ca 0.05 -0.03 -0.29 0.00 -0.50 0.00 0.00 59.36 58.58 3hqp h GLU 332 Cb -0.02 -0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 27.71 3hqp h GLU 332 CO -0.01 0.37 -2.10 0.25 -1.40 0.00 0.00 179.01 176.11 3hqp n THR 333 N -4.88 1.10 0.09 1.13 -2.24 -0.97 -3.54 114.28 104.97 3hqp n THR 333 Ca 0.27 -0.64 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 3hqp n THR 333 Cb 0.76 -0.67 -0.08 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.67 -0.20 -0.21 6.98 0.00 -0.98 -3.35 119.26 122.17 3hqp h ALA 334 Ca -0.44 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.13 3hqp h ALA 334 Cb 1.94 0.08 -0.38 0.00 0.00 0.00 0.00 17.79 19.43 3hqp h ALA 334 CO 0.01 -0.51 -1.04 0.36 0.00 0.00 0.00 179.25 178.08 3hqp n LYS 335 N -5.08 0.96 -3.33 0.00 2.85 -0.69 -1.58 118.16 111.30 3hqp n LYS 335 Ca -0.09 -2.79 -0.22 0.00 -1.05 0.00 0.00 58.31 54.16 3hqp n LYS 335 Cb 0.18 -0.85 -0.00 0.00 -0.65 0.00 0.00 35.03 33.71 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 -2.89 1.44 0.42 2.58 0.00 -0.96 -4.95 107.32 102.96 3hqp s GLY 336 Ca 0.32 -1.09 0.23 0.00 0.00 0.00 0.00 44.72 44.18 3hqp s GLY 336 CO -0.10 -0.99 1.64 0.50 0.00 0.00 0.00 173.10 174.14 3hqp h LYS 337 N 0.70 0.00 -2.09 2.90 1.57 -1.48 -3.40 116.57 114.78 3hqp h LYS 337 Ca -0.48 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.75 3hqp h LYS 337 Cb 1.24 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.14 3hqp h LYS 337 CO 0.58 0.12 -0.96 0.66 -0.57 0.00 0.00 179.45 179.29 3hqp n TYR 338 N -3.15 1.40 -0.03 -1.35 4.01 -1.26 -4.97 117.16 111.82 3hqp n TYR 338 Ca 0.03 -3.84 -0.09 0.00 -0.16 0.00 0.00 57.90 53.83 3hqp n TYR 338 Cb 0.54 -0.44 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 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 3.45 0.12 -0.35 -0.72 0.11 -1.78 -1.93 132.00 130.92 3hqp h PRO 339 Ca 0.11 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.14 3hqp h PRO 339 Cb 0.80 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 3hqp h PRO 339 CO 0.61 0.08 -0.08 -0.91 -0.21 0.00 0.00 178.00 177.49 3hqp h ASN 340 N 0.13 0.67 0.11 -2.05 2.35 -1.93 -3.02 115.58 111.83 3hqp h ASN 340 Ca 0.07 -0.36 -0.07 0.00 -0.55 0.00 0.00 56.30 55.39 3hqp h ASN 340 Cb 0.05 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3hqp h ASN 340 CO -0.09 0.87 -0.24 -0.33 -1.65 0.00 0.00 177.43 176.00 3hqp h GLU 341 N 0.46 0.23 -0.16 0.81 3.07 -1.94 -1.22 114.58 115.84 3hqp h GLU 341 Ca 0.09 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 58.75 3hqp h GLU 341 Cb 0.58 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3hqp h GLU 341 CO 0.03 0.46 -0.40 -0.24 -1.40 0.00 0.00 179.01 177.46 3hqp h VAL 342 N 0.21 1.35 -0.67 3.13 3.04 -1.36 -2.17 116.25 119.78 3hqp h VAL 342 Ca 0.04 -1.67 -0.04 0.00 -1.01 0.00 0.00 66.70 64.02 3hqp h VAL 342 Cb 0.54 2.00 -0.03 0.00 -2.01 0.00 0.00 31.29 31.79 3hqp h VAL 342 CO 0.04 0.51 0.28 0.58 -1.01 0.00 0.00 177.57 177.97 3hqp h VAL 343 N 0.19 1.24 -0.71 1.51 2.07 -1.43 -1.44 116.25 117.68 3hqp h VAL 343 Ca -0.01 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3hqp h VAL 343 Cb 1.02 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3hqp h VAL 343 CO 0.09 0.29 0.42 1.56 0.02 0.00 0.00 177.57 179.95 3hqp h GLN 344 N 0.94 0.97 -0.36 1.57 4.20 -1.20 -0.19 115.11 121.04 3hqp h GLN 344 Ca 0.23 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 3hqp h GLN 344 Cb 0.19 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3hqp h GLN 344 CO -0.02 0.69 0.00 1.88 -0.67 0.00 0.00 178.83 180.71 3hqp h TYR 345 N 0.97 0.69 -0.95 2.96 0.05 -1.27 -1.73 116.97 117.70 3hqp h TYR 345 Ca 0.25 -0.12 0.04 0.00 0.05 0.00 0.00 58.73 58.95 3hqp h TYR 345 Cb -0.02 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 37.48 3hqp h TYR 345 CO -0.01 0.73 0.62 1.98 -1.05 0.00 0.00 178.16 180.43 3hqp h MET 346 N 0.45 1.16 -0.39 4.88 4.05 -0.86 0.24 114.93 124.46 3hqp h MET 346 Ca 0.10 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.40 3hqp h MET 346 Cb 0.46 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 3hqp h MET 346 CO 0.02 0.77 0.05 0.00 0.23 0.00 0.00 176.91 177.97 3hqp h ALA 347 N 1.45 0.52 -0.45 0.39 0.00 -0.96 -2.00 119.26 118.22 3hqp h ALA 347 Ca 0.38 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3hqp h ALA 347 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hqp h ALA 347 CO -0.11 0.25 0.02 -0.09 0.00 0.00 0.00 179.25 179.32 3hqp h ARG 348 N 0.50 0.72 -0.08 0.00 2.43 -0.51 -1.70 114.38 115.74 3hqp h ARG 348 Ca 0.12 -0.18 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 3hqp h ARG 348 Cb 0.39 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3hqp h ARG 348 CO 0.01 0.72 -0.50 0.82 -1.51 0.00 0.00 179.97 179.52 3hqp h ILE 349 N 0.68 1.38 -0.30 1.20 2.04 -0.50 -2.92 117.51 119.10 3hqp h ILE 349 Ca 0.14 -1.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.14 3hqp h ILE 349 Cb 0.39 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 3hqp h ILE 349 CO 0.01 0.55 0.16 0.00 0.00 0.00 0.00 178.15 178.87 3hqp h LEU 351 N 0.35 0.44 -0.26 0.00 6.46 -1.39 -0.18 115.31 120.73 3hqp h LEU 351 Ca 0.10 0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 57.84 3hqp h LEU 351 Cb 0.08 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 3hqp h LEU 351 CO -0.02 0.27 -0.10 -0.08 -0.62 0.00 0.00 178.44 177.90 3hqp h GLU 352 N 0.58 0.53 -0.31 1.25 4.57 -1.34 -2.84 114.58 117.01 3hqp h GLU 352 Ca 0.30 -0.22 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 3hqp h GLU 352 Cb 0.27 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3hqp h GLU 352 CO -0.23 0.77 -0.03 0.00 -1.18 0.00 0.00 179.01 178.34 3hqp h ALA 353 N 0.75 1.37 -0.32 2.92 0.00 -0.96 -2.13 119.26 120.89 3hqp h ALA 353 Ca 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hqp h ALA 353 Cb 0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3hqp h ALA 353 CO 0.03 0.43 0.10 0.37 0.00 0.00 0.00 179.25 180.18 3hqp h GLN 354 N 0.47 0.45 -0.30 0.00 4.15 -0.94 -0.81 115.11 118.13 3hqp h GLN 354 Ca 0.10 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.40 3hqp h GLN 354 Cb 0.35 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 3hqp h GLN 354 CO 0.01 0.41 -0.08 0.77 -1.93 0.00 0.00 178.83 178.01 3hqp h SER 355 N 0.45 0.47 0.55 -0.69 0.02 -1.14 -2.96 113.55 110.24 3hqp h SER 355 Ca 0.11 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hqp h SER 355 Cb 0.15 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3hqp h SER 355 CO -0.01 0.59 -0.66 0.00 -1.14 0.00 0.00 176.83 175.62 3hqp n ALA 356 N -2.48 3.43 -2.10 3.77 0.00 -0.83 -4.90 120.51 117.40 3hqp n ALA 356 Ca 0.01 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 3hqp n ALA 356 Cb 0.29 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 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 -3.47 4.32 -0.81 0.00 2.96 -0.37 -4.95 118.68 116.36 3hqp s LEU 357 Ca 0.08 2.20 -0.26 0.00 -0.22 0.00 0.00 54.13 55.94 3hqp s LEU 357 Cb 0.16 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.33 3hqp s LEU 357 CO 0.73 -0.83 1.37 0.21 -1.32 0.00 0.00 176.35 176.52 3hqp s ASN 358 N 2.47 6.18 0.04 3.68 3.84 -1.26 -4.85 114.94 125.04 3hqp s ASN 358 Ca 0.68 -0.67 -0.02 0.00 0.21 0.00 0.00 52.86 53.06 3hqp s ASN 358 Cb -0.33 -2.56 -0.27 0.00 -0.55 0.00 0.00 41.25 37.53 3hqp s ASN 358 CO 0.28 -1.80 1.01 -0.33 -2.79 0.00 0.00 177.10 173.46 3hqp h GLU 359 N 10.28 0.24 -0.42 0.43 5.08 -1.92 -3.02 114.58 125.24 3hqp h GLU 359 Ca -0.15 -0.40 -0.05 0.00 -1.00 0.00 0.00 59.36 57.76 3hqp h GLU 359 Cb 1.05 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3hqp h GLU 359 CO 1.31 1.13 0.05 -0.92 -1.00 0.00 0.00 179.01 179.59 3hqp h TYR 360 N 0.06 0.67 -0.22 4.33 3.20 -1.88 0.17 116.97 123.30 3hqp h TYR 360 Ca -0.18 -0.06 -0.17 0.00 3.14 0.00 0.00 58.73 61.46 3hqp h TYR 360 Cb 1.98 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 40.06 3hqp h TYR 360 CO 0.06 0.61 -0.51 0.28 -1.64 0.00 0.00 178.16 176.96 3hqp h VAL 361 N 0.62 1.30 -0.27 1.81 2.07 -1.97 -2.17 116.25 117.65 3hqp h VAL 361 Ca 0.14 -1.72 0.05 0.00 0.82 0.00 0.00 66.70 65.98 3hqp h VAL 361 Cb 0.32 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 3hqp h VAL 361 CO 0.01 0.55 -0.06 0.15 0.02 0.00 0.00 177.57 178.24 3hqp h PHE 362 N 0.45 -0.12 0.15 1.57 -0.00 -1.24 0.11 116.94 117.87 3hqp h PHE 362 Ca -0.00 0.02 0.01 0.00 -0.00 0.00 0.00 57.97 58.01 3hqp h PHE 362 Cb 1.12 0.10 -0.03 0.00 -0.00 0.00 0.00 35.95 37.14 3hqp h PHE 362 CO 0.09 -0.10 -0.26 0.35 -0.00 0.00 0.00 178.31 178.39 3hqp h PHE 363 N 0.01 -0.68 -0.15 0.41 3.57 -0.69 -2.54 116.94 116.87 3hqp h PHE 363 Ca 0.13 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 3hqp h PHE 363 Cb 0.19 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3hqp h PHE 363 CO -0.25 -0.36 -0.28 -0.91 -2.23 0.00 0.00 178.31 174.28 3hqp h ASN 364 N -0.48 0.28 -0.17 0.41 2.35 -1.06 -2.15 115.58 114.77 3hqp h ASN 364 Ca 0.02 -0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.55 3hqp h ASN 364 Cb 0.49 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3hqp h ASN 364 CO -0.13 0.56 -0.33 0.28 -1.65 0.00 0.00 177.43 176.16 3hqp h SER 365 N 0.25 0.70 -0.02 5.81 0.02 -0.68 -2.19 113.55 117.44 3hqp h SER 365 Ca 0.04 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 3hqp h SER 365 Cb 0.62 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3hqp h SER 365 CO 0.05 0.98 -0.04 0.40 -1.14 0.00 0.00 176.83 177.07 3hqp h ILE 366 N 0.57 1.48 -0.91 3.27 2.04 -1.24 -3.13 117.51 119.59 3hqp h ILE 366 Ca 0.06 -1.48 0.19 0.00 1.00 0.00 0.00 64.86 64.63 3hqp h ILE 366 Cb 0.84 2.44 -0.11 0.00 -0.74 0.00 0.00 36.82 39.25 3hqp h ILE 366 CO 0.07 0.39 0.47 0.50 0.00 0.00 0.00 178.15 179.58 3hqp h LYS 367 N -0.53 0.56 0.00 2.37 3.64 -1.42 0.50 116.57 121.68 3hqp h LYS 367 Ca -0.00 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3hqp h LYS 367 Cb 0.66 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3hqp h LYS 367 CO 0.01 0.37 -0.11 0.87 -2.27 0.00 0.00 179.45 178.32 3hqp h LYS 368 N 0.57 0.00 -0.59 1.90 6.56 -1.37 -3.16 116.57 120.49 3hqp h LYS 368 Ca 0.53 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.98 3hqp h LYS 368 Cb 0.88 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.46 3hqp h LYS 368 CO -0.43 0.11 0.15 1.28 -2.06 0.00 0.00 179.45 178.50 3hqp n LEU 369 N -4.06 5.43 -4.70 2.94 4.77 0.16 -4.92 117.00 116.63 3hqp n LEU 369 Ca -0.02 -3.21 -0.33 0.00 -0.03 0.00 0.00 56.01 52.41 3hqp n LEU 369 Cb 0.20 -0.69 -0.09 0.00 -2.33 0.00 0.00 43.42 40.51 3hqp n LEU 369 CO 0.33 0.81 -0.31 -1.10 -1.33 0.00 0.00 177.39 175.79 3hqp s GLN 370 N -2.97 2.88 0.29 3.23 -1.52 -1.19 -5.04 119.66 115.33 3hqp s GLN 370 Ca 0.52 -0.54 -0.29 0.00 -1.95 0.00 0.00 55.36 53.09 3hqp s GLN 370 Cb 0.42 -2.73 -0.10 0.00 -0.22 0.00 0.00 33.01 30.38 3hqp s GLN 370 CO 0.11 0.65 1.28 -1.58 -0.25 0.00 0.00 175.29 175.50 3hqp s HIS 371 N -1.05 3.18 -0.08 0.91 5.65 -1.26 -5.04 115.29 117.60 3hqp s HIS 371 Ca 0.18 1.39 0.04 0.00 0.25 0.00 0.00 55.06 56.93 3hqp s HIS 371 Cb -0.12 -3.61 -0.01 0.00 -1.18 0.00 0.00 32.58 27.67 3hqp s HIS 371 CO 0.09 -1.70 -0.21 0.42 -0.65 0.00 0.00 174.74 172.69 3hqp s ILE 372 N -0.79 2.42 0.71 0.89 1.01 -1.26 -3.92 121.20 120.26 3hqp s ILE 372 Ca 0.51 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 60.11 3hqp s ILE 372 Cb -0.38 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.19 3hqp s ILE 372 CO 0.47 0.56 1.09 -2.16 0.00 0.00 0.00 174.94 174.90 3hqp s PRO 373 N -0.09 2.63 0.38 2.79 0.04 -1.26 -5.19 135.00 134.30 3hqp s PRO 373 Ca -0.05 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.23 3hqp s PRO 373 Cb -0.14 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 3hqp s PRO 373 CO 0.04 -1.35 0.54 -1.64 0.04 0.00 0.00 177.00 174.63 3hqp s MET 374 N -4.63 3.09 0.41 4.56 -1.94 -1.25 -5.09 119.30 114.44 3hqp s MET 374 Ca 0.62 -0.82 -0.25 0.00 -1.71 0.00 0.00 55.69 53.53 3hqp s MET 374 Cb -0.17 -2.73 -0.08 0.00 2.01 0.00 0.00 34.83 33.86 3hqp s MET 374 CO 0.50 -0.06 1.16 -1.54 -0.01 0.00 0.00 175.02 175.07 3hqp s SER 375 N -4.19 6.50 0.21 3.03 1.04 -1.26 -4.85 113.70 114.18 3hqp s SER 375 Ca 0.46 2.33 -0.20 0.00 0.48 0.00 0.00 55.95 59.02 3hqp s SER 375 Cb -0.10 -2.61 0.17 0.00 0.10 0.00 0.00 66.02 63.58 3hqp s SER 375 CO 0.34 -0.69 1.56 0.00 0.98 0.00 0.00 173.24 175.43 3hqp h ALA 376 N 2.57 0.00 -0.26 5.32 0.00 -1.98 -0.45 119.26 124.46 3hqp h ALA 376 Ca -0.49 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hqp h ALA 376 Cb 1.23 0.98 0.00 0.00 0.00 0.00 0.00 17.79 20.01 3hqp h ALA 376 CO 0.62 -0.69 0.00 -3.47 0.00 0.00 0.00 179.25 175.72 3hqp n ASP 377 N -5.44 0.00 0.11 0.00 4.64 -1.26 -1.71 116.55 112.89 3hqp n ASP 377 Ca 0.07 0.27 -0.04 0.00 -1.38 0.00 0.00 54.79 53.72 3hqp n ASP 377 Cb 0.37 -0.11 0.11 0.00 -1.04 0.00 0.00 41.12 40.45 3hqp n ASP 377 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 3hqp h GLU 378 N 0.00 0.07 0.00 -0.67 4.81 -1.47 -2.74 114.58 114.58 3hqp h GLU 378 Ca 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3hqp h GLU 378 Cb 0.00 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3hqp h GLU 378 CO 0.00 0.73 -0.14 0.00 -0.73 0.00 0.00 179.01 178.87 3hqp h ALA 379 N 1.25 1.63 -0.38 2.92 0.00 -0.97 -1.65 119.26 122.07 3hqp h ALA 379 Ca -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3hqp h ALA 379 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3hqp h ALA 379 CO 0.09 0.17 -0.10 0.28 0.00 0.00 0.00 179.25 179.69 3hqp h VAL 380 N 0.00 1.28 -0.12 0.00 2.07 -1.01 -2.06 116.25 116.41 3hqp h VAL 380 Ca -0.00 -1.19 -0.13 0.00 0.82 0.00 0.00 66.70 66.19 3hqp h VAL 380 Cb 0.26 1.27 0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3hqp h VAL 380 CO 0.02 0.39 -0.45 0.00 0.02 0.00 0.00 177.57 177.55 3hqp h SER 382 N 0.12 0.33 1.53 0.00 0.87 -1.36 -1.63 113.55 113.41 3hqp h SER 382 Ca -0.02 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 3hqp h SER 382 Cb 1.09 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 3hqp h SER 382 CO 0.10 0.20 -0.47 0.28 -0.53 0.00 0.00 176.83 176.41 3hqp h SER 383 N 0.49 0.00 -0.36 6.23 0.02 -1.35 -2.03 113.55 116.56 3hqp h SER 383 Ca 0.30 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.12 3hqp h SER 383 Cb 0.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3hqp h SER 383 CO -0.26 0.40 -0.25 0.00 -1.14 0.00 0.00 176.83 175.58 3hqp h ALA 384 N 1.60 0.77 -0.02 3.77 0.00 -0.87 -1.33 119.26 123.18 3hqp h ALA 384 Ca -0.01 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 3hqp h ALA 384 Cb 1.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3hqp h ALA 384 CO 0.05 0.65 -0.79 0.28 0.00 0.00 0.00 179.25 179.45 3hqp h VAL 385 N 0.74 1.45 -0.44 0.00 2.07 -1.25 -2.44 116.25 116.38 3hqp h VAL 385 Ca 0.09 -2.39 0.06 0.00 0.82 0.00 0.00 66.70 65.28 3hqp h VAL 385 Cb 0.80 2.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.81 3hqp h VAL 385 CO 0.07 0.70 0.12 -1.13 0.02 0.00 0.00 177.57 177.35 3hqp h ASN 386 N 0.14 0.08 -0.93 0.57 -0.00 -1.23 -2.56 115.58 111.66 3hqp h ASN 386 Ca -0.03 0.06 0.07 0.00 -0.00 0.00 0.00 56.30 56.40 3hqp h ASN 386 Cb 1.38 0.07 -0.07 0.00 -0.00 0.00 0.00 38.32 39.70 3hqp h ASN 386 CO 0.12 0.08 0.59 0.28 -0.00 0.00 0.00 177.43 178.50 3hqp h SER 387 N 0.27 0.93 -0.17 1.15 0.02 -1.01 -1.79 113.55 112.95 3hqp h SER 387 Ca 0.21 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 3hqp h SER 387 Cb 0.24 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3hqp h SER 387 CO -0.25 0.59 -0.02 0.58 -1.14 0.00 0.00 176.83 176.59 3hqp h VAL 388 N 1.06 0.85 -0.45 2.27 2.07 -1.03 -1.31 116.25 119.71 3hqp h VAL 388 Ca 0.41 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.81 3hqp h VAL 388 Cb 0.19 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3hqp h VAL 388 CO -0.18 0.00 -0.14 1.88 0.02 0.00 0.00 177.57 179.15 3hqp h TYR 389 N 0.02 0.94 -0.43 1.57 0.05 -1.27 -0.07 116.97 117.78 3hqp h TYR 389 Ca 0.08 -0.19 -0.08 0.00 0.05 0.00 0.00 58.73 58.60 3hqp h TYR 389 Cb 0.12 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 3hqp h TYR 389 CO -0.18 0.92 -0.05 0.93 -1.05 0.00 0.00 178.16 178.74 3hqp h GLU 390 N 0.75 0.73 0.00 4.88 5.08 -1.00 -3.24 114.58 121.78 3hqp h GLU 390 Ca 0.12 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3hqp h GLU 390 Cb 0.66 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3hqp h GLU 390 CO 0.05 0.77 -0.95 0.25 -1.00 0.00 0.00 179.01 178.13 3hqp n THR 391 N -4.20 0.00 -2.95 1.13 -2.24 -0.52 -4.98 114.28 100.52 3hqp n THR 391 Ca 0.02 -0.10 -0.18 0.00 -2.27 0.00 0.00 64.05 61.52 3hqp n THR 391 Cb 0.32 0.91 0.03 0.00 -2.10 0.00 0.00 70.33 69.49 3hqp n THR 391 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hqp n LYS 392 N -1.50 -4.31 -1.63 -0.78 5.02 -0.11 -4.93 118.16 109.92 3hqp n LYS 392 Ca 0.03 0.70 -0.42 0.00 -2.02 0.00 0.00 58.31 56.60 3hqp n LYS 392 Cb 0.30 -5.16 0.01 0.00 -0.02 0.00 0.00 35.03 30.16 3hqp n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqp n ALA 393 N -3.42 0.39 0.62 7.82 0.00 -0.74 -4.81 120.51 120.37 3hqp n ALA 393 Ca -0.07 0.27 0.07 0.00 0.00 0.00 0.00 53.44 53.71 3hqp n ALA 393 Cb 0.59 -2.11 -0.02 0.00 0.00 0.00 0.00 19.45 17.90 3hqp n ALA 393 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hqp n LYS 394 N 0.27 2.02 -3.77 0.00 5.02 -0.84 -4.73 118.16 116.13 3hqp n LYS 394 Ca 0.09 -0.56 -0.10 0.00 -2.02 0.00 0.00 58.31 55.72 3hqp n LYS 394 Cb 0.38 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 34.14 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 -1.84 -0.53 -0.02 7.82 0.00 -1.25 -4.17 121.76 121.78 3hqp s ALA 395 Ca 0.10 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.68 3hqp s ALA 395 Cb 0.11 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.87 3hqp s ALA 395 CO 0.40 -0.60 -0.05 1.41 0.00 0.00 0.00 175.76 176.91 3hqp s MET 396 N -3.85 0.58 -0.17 0.00 1.75 -0.76 -1.82 119.30 115.04 3hqp s MET 396 Ca 0.06 -0.17 0.01 0.00 -1.25 0.00 0.00 55.69 54.34 3hqp s MET 396 Cb 0.03 -0.58 0.02 0.00 2.84 0.00 0.00 34.83 37.13 3hqp s MET 396 CO -0.10 0.06 -0.20 0.08 -0.65 0.00 0.00 175.02 174.21 3hqp s VAL 397 N 0.21 2.08 -0.07 10.11 1.01 -0.12 0.61 120.40 134.23 3hqp s VAL 397 Ca -0.02 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.07 3hqp s VAL 397 Cb -0.06 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 3hqp s VAL 397 CO -0.00 0.54 -0.24 -0.69 0.00 0.00 0.00 175.10 174.71 3hqp s VAL 398 N 1.22 2.13 -0.17 2.92 1.01 0.19 0.56 120.40 128.25 3hqp s VAL 398 Ca 0.03 -1.03 -0.17 0.00 0.00 0.00 0.00 61.98 60.81 3hqp s VAL 398 Cb -0.13 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3hqp s VAL 398 CO -0.11 0.57 0.44 -0.76 0.00 0.00 0.00 175.10 175.23 3hqp s LEU 399 N -0.02 4.20 -0.25 3.92 1.43 -0.73 -0.87 118.68 126.35 3hqp s LEU 399 Ca -0.08 0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 53.55 3hqp s LEU 399 Cb -0.15 -2.60 0.09 0.00 0.03 0.00 0.00 46.19 43.56 3hqp s LEU 399 CO 0.05 -0.06 0.58 -0.55 0.23 0.00 0.00 176.35 176.60 3hqp s SER 400 N 0.88 -0.81 -0.18 2.29 0.15 -1.02 -4.80 113.70 110.21 3hqp s SER 400 Ca 0.22 1.33 -0.08 0.00 0.70 0.00 0.00 55.95 58.12 3hqp s SER 400 Cb -0.15 1.57 -0.22 0.00 -1.71 0.00 0.00 66.02 65.51 3hqp s SER 400 CO 0.09 -0.22 0.14 0.59 1.20 0.00 0.00 173.24 175.03 3hqp n ASN 401 N 4.87 2.03 0.16 5.45 3.02 -1.26 -4.04 115.26 125.49 3hqp n ASN 401 Ca -0.16 0.18 0.12 0.00 -0.03 0.00 0.00 54.58 54.69 3hqp n ASN 401 Cb 0.53 -0.78 0.17 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.23 0.00 0.00 3.41 1.35 -1.97 -3.40 112.91 112.07 3hqp h THR 402 Ca -0.47 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 3hqp h THR 402 Cb 1.84 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.99 3hqp h THR 402 CO -0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 3hqp n GLY 403 N 1.17 1.40 0.48 5.82 0.00 -1.26 -4.92 105.19 107.88 3hqp n GLY 403 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 3.42 -0.75 -0.50 1.61 3.08 -1.93 -2.20 114.38 117.12 3hqp h ARG 404 Ca 0.00 0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3hqp h ARG 404 Cb 0.00 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3hqp h ARG 404 CO 0.00 -0.50 0.27 0.77 -1.07 0.00 0.00 179.97 179.44 3hqp h SER 405 N -0.77 0.61 -0.67 7.04 0.02 -1.94 -0.50 113.55 117.33 3hqp h SER 405 Ca -0.01 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3hqp h SER 405 Cb 0.77 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 3hqp h SER 405 CO -0.27 0.49 0.43 0.00 -1.14 0.00 0.00 176.83 176.35 3hqp h ALA 406 N 1.61 0.85 -0.08 3.77 0.00 -1.81 -1.31 119.26 122.30 3hqp h ALA 406 Ca 0.18 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3hqp h ALA 406 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hqp h ALA 406 CO -0.03 0.24 -0.68 0.00 0.00 0.00 0.00 179.25 178.78 3hqp h ARG 407 N 0.87 0.33 -0.38 0.00 3.08 -0.76 -2.23 114.38 115.29 3hqp h ARG 407 Ca 0.25 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3hqp h ARG 407 Cb -0.06 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3hqp h ARG 407 CO -0.07 0.89 0.19 1.25 -1.07 0.00 0.00 179.97 181.16 3hqp h LEU 408 N 0.23 0.49 -0.01 3.04 5.85 -0.78 -0.51 115.31 123.63 3hqp h LEU 408 Ca -0.02 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3hqp h LEU 408 Cb 1.23 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 3hqp h LEU 408 CO 0.11 0.47 0.00 0.58 -0.34 0.00 0.00 178.44 179.26 3hqp h VAL 409 N 0.49 1.23 -0.69 1.05 2.07 -1.27 -3.10 116.25 116.02 3hqp h VAL 409 Ca 0.13 -0.68 0.13 0.00 0.82 0.00 0.00 66.70 67.10 3hqp h VAL 409 Cb 0.10 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3hqp h VAL 409 CO -0.02 0.18 0.46 0.00 0.02 0.00 0.00 177.57 178.21 3hqp h ALA 410 N 0.72 2.06 -0.92 1.67 0.00 -1.32 -1.12 119.26 120.35 3hqp h ALA 410 Ca 0.00 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.13 3hqp h ALA 410 Cb 0.29 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3hqp h ALA 410 CO 0.00 -0.23 0.61 -0.22 0.00 0.00 0.00 179.25 179.42 3hqp h LYS 411 N 0.43 0.32 -0.11 0.00 3.64 -1.00 -1.62 116.57 118.22 3hqp h LYS 411 Ca 0.33 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3hqp h LYS 411 Cb 0.70 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3hqp h LYS 411 CO -0.10 0.21 0.00 0.66 -2.27 0.00 0.00 179.45 177.95 3hqp n TYR 412 N -4.48 0.12 -3.40 1.91 4.01 -0.42 -4.99 117.16 109.91 3hqp n TYR 412 Ca 0.20 -0.06 -0.14 0.00 -0.16 0.00 0.00 57.90 57.74 3hqp n TYR 412 Cb 0.77 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.81 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 0.48 -1.42 -1.42 -0.72 5.12 -0.61 -4.26 116.66 113.83 3hqp n ARG 413 Ca 0.17 1.05 -0.31 0.00 -1.93 0.00 0.00 57.85 56.83 3hqp n ARG 413 Cb 0.40 -4.45 0.07 0.00 -1.16 0.00 0.00 32.46 27.31 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 -4.22 2.53 -0.11 5.56 0.04 -1.26 -4.49 135.00 133.06 3hqp s PRO 414 Ca 0.12 1.14 0.06 0.00 0.04 0.00 0.00 61.00 62.36 3hqp s PRO 414 Cb -0.04 -1.93 0.37 0.00 0.04 0.00 0.00 34.50 32.94 3hqp s PRO 414 CO 0.81 -1.43 1.07 0.27 0.04 0.00 0.00 177.00 177.77 3hqp n ASN 415 N -3.24 3.13 -4.23 6.66 6.94 -1.26 -4.87 115.26 118.38 3hqp n ASN 415 Ca 0.09 -2.43 -0.13 0.00 -0.02 0.00 0.00 54.58 52.09 3hqp n ASN 415 Cb 0.53 -0.59 -0.10 0.00 -2.36 0.00 0.00 39.78 37.26 3hqp n ASN 415 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hqp s PRO 417 N -3.94 4.21 -0.31 0.00 0.02 -1.26 -4.87 135.00 128.84 3hqp s PRO 417 Ca 0.25 2.29 -0.11 0.00 0.02 0.00 0.00 61.00 63.46 3hqp s PRO 417 Cb 0.06 -2.97 -0.02 0.00 0.02 0.00 0.00 34.50 31.59 3hqp s PRO 417 CO 0.04 -0.34 0.18 0.42 -0.33 0.00 0.00 177.00 176.97 3hqp s ILE 418 N -1.16 4.91 -0.31 2.83 1.01 -0.61 -1.82 121.20 126.06 3hqp s ILE 418 Ca 0.52 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.80 3hqp s ILE 418 Cb -0.41 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 3hqp s ILE 418 CO 0.55 0.10 0.30 -0.69 0.00 0.00 0.00 174.94 175.20 3hqp s VAL 419 N 1.67 5.22 -0.22 2.92 1.01 0.20 -0.78 120.40 130.43 3hqp s VAL 419 Ca 0.06 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.12 3hqp s VAL 419 Cb -0.17 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 3hqp s VAL 419 CO 0.08 0.07 0.12 0.00 0.00 0.00 0.00 175.10 175.38 3hqp s VAL 421 N 0.80 4.86 0.14 0.00 1.01 -0.05 -0.06 120.40 127.09 3hqp s VAL 421 Ca 0.06 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 61.99 3hqp s VAL 421 Cb -0.13 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3hqp s VAL 421 CO 0.02 0.19 -0.17 0.28 0.00 0.00 0.00 175.10 175.42 3hqp s THR 422 N 1.68 1.64 -2.71 3.92 -1.32 0.23 -2.43 115.64 116.64 3hqp s THR 422 Ca 0.06 -1.80 0.22 0.00 -1.21 0.00 0.00 61.69 58.97 3hqp s THR 422 Cb -0.16 -1.70 0.15 0.00 -1.51 0.00 0.00 72.50 69.29 3hqp s THR 422 CO 0.08 -0.32 1.19 0.35 -2.21 0.00 0.00 174.62 173.72 3hqp n THR 423 N 0.48 0.00 -4.09 5.08 -2.24 -1.26 -0.27 114.28 111.98 3hqp n THR 423 Ca -0.15 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 60.86 3hqp n THR 423 Cb 0.57 1.44 -0.16 0.00 -2.10 0.00 0.00 70.33 70.07 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 -1.95 2.39 0.31 -0.78 0.52 -1.26 -4.77 118.95 113.41 3hqp s ARG 424 Ca 0.25 -0.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 3hqp s ARG 424 Cb 0.19 -2.15 0.50 0.00 0.52 0.00 0.00 34.95 34.01 3hqp s ARG 424 CO 0.32 -0.21 1.90 1.25 0.02 0.00 0.00 175.30 178.58 3hqp h LEU 425 N 7.96 0.75 -1.43 2.53 5.85 -1.94 -1.29 115.31 127.73 3hqp h LEU 425 Ca -0.38 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 3hqp h LEU 425 Cb 1.14 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 3hqp h LEU 425 CO 0.54 0.66 0.09 -0.61 -0.34 0.00 0.00 178.44 178.78 3hqp h GLN 426 N 0.82 0.47 -0.24 1.25 4.15 -1.96 -1.52 115.11 118.07 3hqp h GLN 426 Ca 0.20 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.45 3hqp h GLN 426 Cb 0.13 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 3hqp h GLN 426 CO -0.02 0.43 -0.27 1.15 -1.93 0.00 0.00 178.83 178.18 3hqp h THR 427 N 0.46 1.27 -0.55 2.39 2.02 -1.54 0.24 112.91 117.20 3hqp h THR 427 Ca 0.11 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 66.00 3hqp h THR 427 Cb 0.16 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 3hqp h THR 427 CO -0.01 0.41 0.37 0.00 0.37 0.00 0.00 175.52 176.66 3hqp h ARG 429 N 0.73 0.49 0.00 0.00 3.08 -0.96 -3.34 114.38 114.38 3hqp h ARG 429 Ca 0.21 -0.84 0.00 0.00 0.07 0.00 0.00 59.98 59.42 3hqp h ARG 429 Cb -0.05 0.31 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3hqp h ARG 429 CO -0.05 1.40 0.00 1.96 -1.07 0.00 0.00 179.97 182.21 3hqp h GLN 430 N 0.13 0.00 -0.03 0.04 4.20 -0.38 -2.09 115.11 116.98 3hqp h GLN 430 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3hqp h GLN 430 Cb 2.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.93 3hqp h GLN 430 CO 0.24 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.68 3hqp n LEU 431 N -2.92 0.80 0.00 1.46 4.77 -0.75 -3.80 117.00 116.56 3hqp n LEU 431 Ca 0.01 -0.29 0.11 0.00 -0.03 0.00 0.00 56.01 55.81 3hqp n LEU 431 Cb 0.32 -0.02 0.50 0.00 -2.33 0.00 0.00 43.42 41.89 3hqp n LEU 431 CO 0.27 0.14 0.86 0.59 -1.33 0.00 0.00 177.39 177.92 3hqp n ASN 432 N -0.34 0.00 -0.80 -1.43 3.02 -0.78 -2.07 115.26 112.86 3hqp n ASN 432 Ca 0.19 0.38 0.09 0.00 -0.03 0.00 0.00 54.58 55.21 3hqp n ASN 432 Cb 0.22 -0.45 0.13 0.00 -0.61 0.00 0.00 39.78 39.07 3hqp n ASN 432 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3hqp n ILE 433 N -1.45 0.31 -3.86 2.41 -5.35 -1.25 -4.77 119.36 105.40 3hqp n ILE 433 Ca 0.07 -0.66 -0.36 0.00 -0.27 0.00 0.00 62.75 61.53 3hqp n ILE 433 Cb 0.24 1.10 -0.07 0.00 -1.74 0.00 0.00 39.64 39.17 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 -1.32 5.41 0.24 7.28 2.01 -0.88 -4.59 115.64 123.80 3hqp s THR 434 Ca 0.25 0.18 -0.26 0.00 0.31 0.00 0.00 61.69 62.17 3hqp s THR 434 Cb 0.16 -3.39 -0.09 0.00 0.01 0.00 0.00 72.50 69.19 3hqp s THR 434 CO 0.23 0.56 0.86 -1.58 -0.69 0.00 0.00 174.62 174.01 3hqp s GLN 435 N -0.59 4.62 -0.93 4.92 -0.44 -1.26 -4.10 119.66 121.88 3hqp s GLN 435 Ca 0.13 1.27 0.00 0.00 -2.50 0.00 0.00 55.36 54.25 3hqp s GLN 435 Cb -0.12 -3.10 0.00 0.00 -1.64 0.00 0.00 33.01 28.16 3hqp s GLN 435 CO 0.02 0.46 0.00 0.41 0.50 0.00 0.00 175.29 176.68 3hqp n GLY 436 N 1.18 1.00 3.33 2.59 0.00 0.85 -4.87 105.19 109.28 3hqp n GLY 436 Ca -0.02 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.15 2.29 -0.04 1.61 1.01 -1.26 -1.57 120.40 120.30 3hqp s VAL 437 Ca 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3hqp s VAL 437 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3hqp s VAL 437 CO 0.00 0.58 -0.14 -1.61 0.00 0.00 0.00 175.10 173.93 3hqp s GLU 438 N -0.42 1.46 -0.08 2.72 2.02 0.04 -4.93 118.70 119.50 3hqp s GLU 438 Ca 0.04 -0.48 -0.04 0.00 0.02 0.00 0.00 54.97 54.51 3hqp s GLU 438 Cb -0.12 -1.29 -0.04 0.00 0.10 0.00 0.00 34.13 32.78 3hqp s GLU 438 CO 0.01 0.18 0.09 -1.12 0.02 0.00 0.00 175.26 174.44 3hqp s SER 439 N 0.14 5.89 -0.10 -0.19 0.01 -1.26 -0.25 113.70 117.94 3hqp s SER 439 Ca -0.04 0.30 0.04 0.00 1.31 0.00 0.00 55.95 57.56 3hqp s SER 439 Cb -0.11 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.33 3hqp s SER 439 CO 0.02 0.37 -0.23 -0.69 0.41 0.00 0.00 173.24 173.12 3hqp s VAL 440 N -1.02 1.99 -0.29 3.43 1.01 0.91 -4.94 120.40 121.48 3hqp s VAL 440 Ca 0.16 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.94 3hqp s VAL 440 Cb -0.12 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.54 3hqp s VAL 440 CO 0.06 0.54 0.74 0.12 0.00 0.00 0.00 175.10 176.56 3hqp s PHE 441 N 0.37 3.22 -0.34 5.22 5.36 -1.26 -0.60 117.98 129.95 3hqp s PHE 441 Ca -0.19 0.80 -0.10 0.00 -0.96 0.00 0.00 56.93 56.48 3hqp s PHE 441 Cb -0.18 -3.12 0.01 0.00 -0.34 0.00 0.00 43.02 39.40 3hqp s PHE 441 CO 0.08 -0.51 0.18 0.12 -1.46 0.00 0.00 175.22 173.64 3hqp s PHE 442 N 2.83 3.21 -0.88 10.12 5.36 0.63 -4.95 117.98 134.29 3hqp s PHE 442 Ca 0.30 -0.73 -0.23 0.00 -0.96 0.00 0.00 56.93 55.31 3hqp s PHE 442 Cb -0.15 -2.40 0.06 0.00 -0.34 0.00 0.00 43.02 40.19 3hqp s PHE 442 CO 0.11 -0.54 1.29 0.34 -1.46 0.00 0.00 175.22 174.97 3hqp s ASP 443 N 1.59 6.38 0.52 6.13 -1.08 -1.26 -4.26 116.67 124.70 3hqp s ASP 443 Ca 0.03 -1.20 0.25 0.00 -0.52 0.00 0.00 52.55 51.11 3hqp s ASP 443 Cb -0.18 -2.52 1.45 0.00 -1.46 0.00 0.00 42.92 40.21 3hqp s ASP 443 CO 0.07 -1.53 2.10 0.00 0.52 0.00 0.00 175.17 176.33 3hqp h ALA 444 N 9.69 1.43 -0.05 3.66 0.00 -1.86 0.08 119.26 132.21 3hqp h ALA 444 Ca -0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3hqp h ALA 444 Cb 1.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3hqp h ALA 444 CO 1.31 0.13 -0.22 -0.44 0.00 0.00 0.00 179.25 180.02 3hqp h ASP 445 N 0.00 0.08 0.00 0.00 3.32 -1.88 -1.59 116.42 116.35 3hqp h ASP 445 Ca -0.00 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 3hqp h ASP 445 Cb 0.25 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3hqp h ASP 445 CO 0.01 0.31 -1.39 2.29 -1.72 0.00 0.00 179.24 178.74 3hqp n LYS 446 N -4.24 2.33 0.00 3.56 2.85 -1.09 -4.69 118.16 116.88 3hqp n LYS 446 Ca -0.02 -0.02 0.13 0.00 -1.05 0.00 0.00 58.31 57.35 3hqp n LYS 446 Cb 0.30 -1.16 0.32 0.00 -0.65 0.00 0.00 35.03 33.84 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 -2.11 1.28 0.00 -5.58 4.77 -0.00 -5.07 117.00 110.29 3hqp n LEU 447 Ca -0.08 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3hqp n LEU 447 Cb 0.57 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3hqp n LEU 447 CO 0.13 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3hqp n GLY 448 N 1.34 -0.56 0.02 -0.72 0.00 -0.60 -4.73 105.19 99.94 3hqp n GLY 448 Ca 0.12 -1.68 0.14 0.00 0.00 0.00 0.00 46.02 44.60 3hqp n GLY 448 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hqp n HIS 449 N -0.47 0.17 -3.70 1.61 -0.00 -1.26 -4.39 115.22 107.18 3hqp n HIS 449 Ca 0.00 0.05 -0.32 0.00 -0.00 0.00 0.00 57.72 57.45 3hqp n HIS 449 Cb 0.00 -0.56 0.04 0.00 -0.00 0.00 0.00 29.99 29.47 3hqp n HIS 449 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3hqp n ASP 450 N -1.64 -5.07 0.23 0.41 2.03 -1.26 -4.86 116.55 106.38 3hqp n ASP 450 Ca 0.07 -1.02 0.09 0.00 0.52 0.00 0.00 54.79 54.44 3hqp n ASP 450 Cb 0.36 -3.34 0.53 0.00 -0.72 0.00 0.00 41.12 37.94 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 -1.91 0.00 0.00 -0.67 4.11 -2.01 -1.74 114.58 112.36 3hqp h GLU 451 Ca -0.66 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.77 3hqp h GLU 451 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3hqp h GLU 451 CO 0.49 0.24 0.00 0.41 0.07 0.00 0.00 179.01 180.21 3hqp n GLY 452 N -0.33 -1.10 4.35 1.06 0.00 -1.26 -4.88 105.19 103.03 3hqp n GLY 452 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.14 0.00 -0.10 1.61 4.76 -0.66 -4.83 118.16 117.81 3hqp n LYS 453 Ca 0.18 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.60 3hqp n LYS 453 Cb 0.17 -3.11 0.22 0.00 -1.84 0.00 0.00 35.03 30.46 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 0.65 0.75 -0.18 1.97 3.07 -1.91 -2.48 114.58 116.45 3hqp h GLU 454 Ca 0.00 -0.16 -0.16 0.00 -0.50 0.00 0.00 59.36 58.54 3hqp h GLU 454 Cb 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 3hqp h GLU 454 CO 0.00 0.70 -0.53 0.45 -1.40 0.00 0.00 179.01 178.23 3hqp h HIS 455 N 0.72 0.87 -0.43 4.33 3.86 -1.90 -1.90 115.15 120.69 3hqp h HIS 455 Ca 0.16 -0.35 -0.08 0.00 -1.16 0.00 0.00 60.37 58.94 3hqp h HIS 455 Cb 0.30 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3hqp h HIS 455 CO 0.02 1.14 -0.04 0.00 0.86 0.00 0.00 177.93 179.90 3hqp h ARG 456 N 0.35 0.80 -0.28 2.45 3.08 -1.90 -1.21 114.38 117.66 3hqp h ARG 456 Ca -0.02 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 59.77 3hqp h ARG 456 Cb 1.15 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 3hqp h ARG 456 CO 0.11 0.88 0.18 0.28 -1.07 0.00 0.00 179.97 180.36 3hqp h VAL 457 N 0.63 1.06 -0.95 2.04 2.07 -1.48 -1.26 116.25 118.36 3hqp h VAL 457 Ca 0.12 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.57 3hqp h VAL 457 Cb 0.55 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 3hqp h VAL 457 CO 0.03 0.07 0.61 0.00 0.02 0.00 0.00 177.57 178.30 3hqp h ALA 458 N 1.11 1.31 -0.76 1.67 0.00 -1.25 0.00 119.26 121.34 3hqp h ALA 458 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hqp h ALA 458 Cb -0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3hqp h ALA 458 CO -0.03 0.39 0.41 0.00 0.00 0.00 0.00 179.25 180.02 3hqp h ALA 459 N 1.43 1.29 -0.14 0.00 0.00 -0.75 -0.37 119.26 120.72 3hqp h ALA 459 Ca 0.41 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 3hqp h ALA 459 Cb 0.15 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.64 3hqp h ALA 459 CO -0.17 0.57 -0.60 0.78 0.00 0.00 0.00 179.25 179.83 3hqp h GLY 460 N 1.10 0.72 1.00 0.00 0.00 -0.30 -2.35 103.07 103.24 3hqp h GLY 460 Ca 0.27 -1.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.56 3hqp h GLY 460 CO -0.04 0.89 0.19 -2.08 0.00 0.00 0.00 176.54 175.49 3hqp h VAL 461 N 0.32 1.24 -0.75 4.60 2.07 -0.93 -1.53 116.25 121.27 3hqp h VAL 461 Ca -0.04 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 3hqp h VAL 461 Cb 1.24 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 3hqp h VAL 461 CO 0.13 0.30 0.46 -0.08 0.02 0.00 0.00 177.57 178.40 3hqp h GLU 462 N 0.81 1.01 -0.31 1.57 4.57 -1.08 0.19 114.58 121.32 3hqp h GLU 462 Ca 0.19 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 3hqp h GLU 462 Cb 0.27 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3hqp h GLU 462 CO -0.01 0.70 0.16 0.35 -1.18 0.00 0.00 179.01 179.03 3hqp h PHE 463 N 1.02 0.44 -0.26 0.92 3.57 -1.30 -0.38 116.94 120.94 3hqp h PHE 463 Ca 0.27 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.77 3hqp h PHE 463 Cb -0.06 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 3hqp h PHE 463 CO -0.01 0.38 0.14 0.00 -2.23 0.00 0.00 178.31 176.59 3hqp h ALA 464 N 1.02 0.32 -0.16 2.41 0.00 -0.85 -0.03 119.26 121.97 3hqp h ALA 464 Ca 0.11 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3hqp h ALA 464 Cb 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3hqp h ALA 464 CO -0.02 -0.25 -0.16 0.87 0.00 0.00 0.00 179.25 179.69 3hqp h LYS 465 N 0.30 -0.18 -0.35 0.00 1.79 -0.53 -0.31 116.57 117.29 3hqp h LYS 465 Ca 0.10 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.53 3hqp h LYS 465 Cb 0.01 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 3hqp h LYS 465 CO -0.06 -0.12 -0.02 0.66 -1.08 0.00 0.00 179.45 178.83 3hqp h SER 466 N -0.19 0.52 1.28 0.86 4.64 -0.72 -1.31 113.55 118.64 3hqp h SER 466 Ca 0.11 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hqp h SER 466 Cb 0.34 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3hqp h SER 466 CO -0.27 0.60 0.00 0.11 -0.87 0.00 0.00 176.83 176.40 3hqp h LYS 467 N 0.52 0.00 0.00 4.77 1.79 -0.83 -3.47 116.57 119.35 3hqp h LYS 467 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3hqp h LYS 467 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 3hqp h LYS 467 CO 0.01 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.79 3hqp n GLY 468 N 0.72 0.80 0.24 3.86 0.00 -0.49 -4.97 105.19 105.36 3hqp n GLY 468 Ca 0.04 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.96 -4.32 1.61 0.05 -1.30 -3.44 116.97 110.54 3hqp h TYR 469 Ca 0.00 -0.25 -0.65 0.00 0.05 0.00 0.00 58.73 57.88 3hqp h TYR 469 Cb 0.00 -0.22 -0.30 0.00 1.01 0.00 0.00 36.73 37.22 3hqp h TYR 469 CO 0.00 1.02 -0.87 0.14 -1.05 0.00 0.00 178.16 177.39 3hqp s VAL 470 N -4.58 1.85 0.39 -2.88 -7.23 -1.22 -4.69 120.40 102.04 3hqp s VAL 470 Ca -0.12 -0.98 0.08 0.00 -1.81 0.00 0.00 61.98 59.14 3hqp s VAL 470 Cb 0.10 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 3hqp s VAL 470 CO 0.84 0.52 0.36 -1.10 -0.31 0.00 0.00 175.10 175.41 3hqp s GLN 471 N -0.38 2.61 -0.02 4.82 1.11 -1.26 -4.32 119.66 122.22 3hqp s GLN 471 Ca 0.04 -1.44 -0.37 0.00 0.01 0.00 0.00 55.36 53.60 3hqp s GLN 471 Cb -0.11 -2.43 -0.15 0.00 -1.01 0.00 0.00 33.01 29.32 3hqp s GLN 471 CO 0.01 -0.10 1.58 2.41 0.01 0.00 0.00 175.29 179.19 3hqp n THR 472 N -1.50 0.17 0.00 -0.19 -1.04 -1.26 -2.26 114.28 108.19 3hqp n THR 472 Ca 0.02 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3hqp n THR 472 Cb 0.61 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 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 3.42 0.32 3.83 3.41 0.00 -0.62 -5.02 105.19 110.53 3hqp n GLY 473 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.97 5.11 0.09 1.61 1.01 -0.96 -4.77 116.67 116.79 3hqp s ASP 474 Ca 0.00 1.36 -0.10 0.00 0.71 0.00 0.00 52.55 54.51 3hqp s ASP 474 Cb 0.00 -2.17 -0.06 0.00 1.01 0.00 0.00 42.92 41.70 3hqp s ASP 474 CO 0.00 -1.58 0.42 -0.31 0.21 0.00 0.00 175.17 173.91 3hqp s TYR 475 N -3.18 3.59 -0.06 4.23 2.02 -1.26 -1.17 117.35 121.51 3hqp s TYR 475 Ca 0.59 0.83 0.00 0.00 -0.37 0.00 0.00 57.07 58.12 3hqp s TYR 475 Cb -0.13 -2.19 0.02 0.00 -0.40 0.00 0.00 41.96 39.26 3hqp s TYR 475 CO 0.54 0.50 -0.04 0.00 -1.57 0.00 0.00 175.55 174.98 3hqp s VAL 477 N 1.31 5.15 -0.16 0.00 1.01 -0.75 0.28 120.40 127.23 3hqp s VAL 477 Ca -0.04 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 62.51 3hqp s VAL 477 Cb -0.14 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 3hqp s VAL 477 CO -0.02 0.12 -0.05 -0.69 0.00 0.00 0.00 175.10 174.45 3hqp s VAL 478 N 2.13 3.66 -0.19 2.92 1.01 -0.41 -0.94 120.40 128.58 3hqp s VAL 478 Ca 0.16 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3hqp s VAL 478 Cb -0.16 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.64 3hqp s VAL 478 CO 0.10 0.49 -0.18 -0.63 0.00 0.00 0.00 175.10 174.88 3hqp s ILE 479 N 0.53 2.22 0.00 2.22 1.01 0.19 -2.00 121.20 125.37 3hqp s ILE 479 Ca -0.04 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.69 3hqp s ILE 479 Cb -0.15 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.37 3hqp s ILE 479 CO 0.03 0.50 0.00 0.00 0.00 0.00 0.00 174.94 175.47 3hqp n HIS 480 N 4.63 -0.01 -3.84 3.97 1.44 -0.99 -1.77 115.22 118.64 3hqp n HIS 480 Ca -0.20 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.30 3hqp n HIS 480 Cb 0.50 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.59 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 -1.01 3.96 1.04 1.59 0.00 -1.26 -1.35 121.76 124.73 3hqp s ALA 481 Ca 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 50.57 3hqp s ALA 481 Cb 0.00 -1.62 0.06 0.00 0.00 0.00 0.00 23.12 21.57 3hqp s ALA 481 CO 0.00 0.15 0.25 -0.40 0.00 0.00 0.00 175.76 175.76 3hqp n ASP 482 N -1.44 -0.99 0.00 0.00 5.68 -1.26 -4.89 116.55 113.66 3hqp n ASP 482 Ca -0.06 -0.74 0.08 0.00 -0.50 0.00 0.00 54.79 53.57 3hqp n ASP 482 Cb 0.58 -0.22 0.40 0.00 -1.14 0.00 0.00 41.12 40.73 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 -2.90 0.00 -0.01 2.11 8.25 -1.26 -4.09 115.22 117.32 3hqp n HIS 483 Ca 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.45 3hqp n HIS 483 Cb 0.13 -0.39 -0.02 0.00 1.12 0.00 0.00 29.99 30.83 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 -1.39 0.15 -1.77 -0.41 4.81 -1.26 -5.04 118.16 113.25 3hqp n LYS 484 Ca 0.06 0.06 -0.42 0.00 -0.87 0.00 0.00 58.31 57.15 3hqp n LYS 484 Cb 0.17 -0.76 -0.02 0.00 0.02 0.00 0.00 35.03 34.44 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 -2.21 2.09 0.09 3.15 1.01 -1.26 -5.02 120.40 118.26 3hqp s VAL 485 Ca -0.09 0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.06 3hqp s VAL 485 Cb 0.02 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3hqp s VAL 485 CO 0.12 0.01 -0.26 -0.54 0.00 0.00 0.00 175.10 174.43 3hqp s LYS 486 N 0.12 1.60 0.00 2.72 -0.14 -1.26 -4.65 119.74 118.13 3hqp s LYS 486 Ca 0.67 -1.23 0.00 0.00 -1.36 0.00 0.00 55.97 54.05 3hqp s LYS 486 Cb -0.48 -1.94 0.00 0.00 -1.68 0.00 0.00 37.83 33.73 3hqp s LYS 486 CO 0.42 0.48 0.00 0.41 -0.76 0.00 0.00 175.35 175.90 3hqp n GLY 487 N 1.31 2.77 3.73 -3.33 0.00 -1.26 -5.01 105.19 103.40 3hqp n GLY 487 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.79 0.09 -0.30 1.61 -0.85 -1.26 -5.12 117.35 108.73 3hqp s TYR 488 Ca 0.00 -0.51 -0.16 0.00 -0.52 0.00 0.00 57.07 55.88 3hqp s TYR 488 Cb 0.00 0.47 -0.02 0.00 0.38 0.00 0.00 41.96 42.79 3hqp s TYR 488 CO 0.00 -1.14 0.43 0.00 -1.52 0.00 0.00 175.55 173.32 3hqp s ALA 489 N -3.88 3.53 -0.39 9.51 0.00 -1.26 -4.42 121.76 124.85 3hqp s ALA 489 Ca 0.17 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.31 3hqp s ALA 489 Cb -0.03 -2.84 0.24 0.00 0.00 0.00 0.00 23.12 20.48 3hqp s ALA 489 CO 0.08 -0.90 1.18 0.27 0.00 0.00 0.00 175.76 176.40 3hqp n ASN 490 N 5.49 2.70 -3.80 0.00 2.04 -1.08 -4.27 115.26 116.33 3hqp n ASN 490 Ca -0.07 -2.31 -0.14 0.00 -0.44 0.00 0.00 54.58 51.62 3hqp n ASN 490 Cb 0.50 -0.23 -0.15 0.00 -2.53 0.00 0.00 39.78 37.37 3hqp n ASN 490 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 3hqp s GLN 491 N -1.55 0.01 0.04 -3.83 0.74 -0.46 -4.88 119.66 109.74 3hqp s GLN 491 Ca 0.20 0.18 0.09 0.00 0.05 0.00 0.00 55.36 55.87 3hqp s GLN 491 Cb 0.14 -0.14 -0.03 0.00 1.10 0.00 0.00 33.01 34.08 3hqp s GLN 491 CO 0.08 -0.11 -0.25 0.95 -0.55 0.00 0.00 175.29 175.40 3hqp s THR 492 N 0.73 2.04 0.07 -0.34 -4.23 -1.26 -2.35 115.64 110.30 3hqp s THR 492 Ca -0.06 -1.33 0.05 0.00 -1.18 0.00 0.00 61.69 59.16 3hqp s THR 492 Cb -0.08 -1.75 -0.03 0.00 1.34 0.00 0.00 72.50 71.98 3hqp s THR 492 CO -0.02 0.35 -0.13 0.00 -0.54 0.00 0.00 174.62 174.27 3hqp s ARG 493 N -1.19 0.79 -0.24 3.99 1.70 -0.85 -5.00 118.95 118.16 3hqp s ARG 493 Ca 0.11 -0.95 -0.11 0.00 -0.47 0.00 0.00 55.73 54.31 3hqp s ARG 493 Cb -0.10 -0.75 -0.05 0.00 -0.57 0.00 0.00 34.95 33.48 3hqp s ARG 493 CO 0.02 0.16 0.16 0.42 -1.08 0.00 0.00 175.30 174.98 3hqp s ILE 494 N -1.38 5.35 -0.14 4.99 1.01 -1.26 -1.29 121.20 128.48 3hqp s ILE 494 Ca -0.02 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.79 3hqp s ILE 494 Cb -0.09 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 3hqp s ILE 494 CO 0.02 0.33 -0.10 -0.76 0.00 0.00 0.00 174.94 174.44 3hqp s LEU 495 N 1.14 2.90 -0.42 2.97 1.02 0.14 -4.94 118.68 121.50 3hqp s LEU 495 Ca 0.07 -0.26 -0.27 0.00 0.02 0.00 0.00 54.13 53.69 3hqp s LEU 495 Cb -0.14 -1.67 0.02 0.00 0.02 0.00 0.00 46.19 44.42 3hqp s LEU 495 CO 0.05 0.16 1.02 -0.22 0.02 0.00 0.00 176.35 177.39 3hqp s LEU 496 N 0.39 3.86 0.34 1.79 2.96 -1.26 -0.18 118.68 126.59 3hqp s LEU 496 Ca -0.08 0.50 -0.27 0.00 -0.22 0.00 0.00 54.13 54.06 3hqp s LEU 496 Cb -0.15 -3.39 -0.09 0.00 0.50 0.00 0.00 46.19 43.06 3hqp s LEU 496 CO 0.04 -1.05 1.08 0.68 -1.32 0.00 0.00 176.35 175.79 3hqp s VAL 497 N 3.91 3.59 -2.52 1.68 -7.23 -0.32 -4.92 120.40 114.60 3hqp s VAL 497 Ca 0.42 1.41 0.20 0.00 -1.81 0.00 0.00 61.98 62.20 3hqp s VAL 497 Cb -0.10 -3.82 0.16 0.00 0.56 0.00 0.00 36.38 33.18 3hqp s VAL 497 CO 0.25 0.19 1.14 -0.62 -0.31 0.00 0.00 175.10 175.75