#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 1.03 -0.18 4.33 5.75 -2.05 -1.95 115.11 122.03 3hqp h GLN 2 Ca 0.00 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 3hqp h GLN 2 Cb 0.00 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.33 3hqp h GLN 2 CO 0.00 0.74 0.09 1.25 -2.65 0.00 0.00 178.83 178.26 3hqp h LEU 3 N 1.02 0.24 -1.05 -2.39 6.46 -2.07 -1.76 115.31 115.77 3hqp h LEU 3 Ca 0.27 -0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 3hqp h LEU 3 Cb -0.00 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 3hqp h LEU 3 CO -0.05 0.29 0.14 0.00 -0.62 0.00 0.00 178.44 178.20 3hqp h ALA 4 N 0.96 1.24 -0.77 1.25 0.00 -2.00 -2.69 119.26 117.24 3hqp h ALA 4 Ca 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hqp h ALA 4 Cb 0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3hqp h ALA 4 CO -0.01 0.53 0.37 1.25 0.00 0.00 0.00 179.25 181.39 3hqp h HIS 5 N 0.79 1.11 -0.52 0.00 -0.00 -1.05 -2.89 115.15 112.59 3hqp h HIS 5 Ca 0.17 -0.06 0.07 0.00 -0.00 0.00 0.00 60.37 60.56 3hqp h HIS 5 Cb 0.28 -0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 27.31 3hqp h HIS 5 CO 0.02 0.82 0.35 -0.91 -0.00 0.00 0.00 177.93 178.20 3hqp h ASN 6 N 1.09 0.37 1.07 3.26 2.35 -0.97 -1.69 115.58 121.05 3hqp h ASN 6 Ca 0.26 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.00 3hqp h ASN 6 Cb 0.12 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 3hqp h ASN 6 CO -0.03 0.24 -0.09 -0.07 -1.65 0.00 0.00 177.43 175.82 3hqp h LEU 7 N 0.42 0.00 -0.11 1.61 3.38 -1.51 -2.76 115.31 116.34 3hqp h LEU 7 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3hqp h LEU 7 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3hqp h LEU 7 CO -0.06 0.09 -0.17 0.35 0.09 0.00 0.00 178.44 178.74 3hqp n THR 8 N -3.21 0.00 -2.31 0.22 -2.24 -0.64 -4.91 114.28 101.19 3hqp n THR 8 Ca 0.01 -0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 3hqp n THR 8 Cb 0.38 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.74 3.63 0.01 3.22 1.43 -1.04 -5.09 118.68 118.10 3hqp s LEU 9 Ca 0.21 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 3hqp s LEU 9 Cb 0.19 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.87 3hqp s LEU 9 CO 0.54 -0.82 -0.02 -0.55 0.23 0.00 0.00 176.35 175.73 3hqp s SER 10 N -2.75 0.16 0.18 2.29 0.15 -1.26 -5.06 113.70 107.40 3hqp s SER 10 Ca 0.62 -0.26 0.10 0.00 0.70 0.00 0.00 55.95 57.11 3hqp s SER 10 Cb -0.13 0.05 -0.08 0.00 -1.71 0.00 0.00 66.02 64.15 3hqp s SER 10 CO 0.31 -0.15 1.35 0.16 1.20 0.00 0.00 173.24 176.11 3hqp h ILE 11 N 4.89 1.46 -0.03 6.45 3.07 -2.01 -3.28 117.51 128.06 3hqp h ILE 11 Ca -0.28 -2.99 0.00 0.00 1.55 0.00 0.00 64.86 63.14 3hqp h ILE 11 Cb 1.21 2.67 0.00 0.00 -0.27 0.00 0.00 36.82 40.43 3hqp h ILE 11 CO 0.46 0.82 0.00 0.49 -1.05 0.00 0.00 178.15 178.87 3hqp n PHE 12 N -3.35 0.02 -2.01 0.16 3.72 -1.26 -4.86 117.46 109.88 3hqp n PHE 12 Ca 0.00 -0.01 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 3hqp n PHE 12 Cb 0.86 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.37 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 -1.93 6.66 0.67 4.37 1.01 -1.24 -5.01 116.67 121.20 3hqp s ASP 13 Ca 0.40 2.65 -0.12 0.00 0.71 0.00 0.00 52.55 56.19 3hqp s ASP 13 Cb 0.20 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.51 3hqp s ASP 13 CO 0.33 -0.70 1.06 -2.16 0.21 0.00 0.00 175.17 173.91 3hqp s PRO 14 N -0.26 2.98 0.76 8.23 0.04 -1.26 -5.06 135.00 140.43 3hqp s PRO 14 Ca 0.60 1.05 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 3hqp s PRO 14 Cb -0.42 -1.99 0.14 0.00 0.04 0.00 0.00 34.50 32.27 3hqp s PRO 14 CO 0.42 -1.07 1.04 0.14 0.04 0.00 0.00 177.00 177.57 3hqp s VAL 15 N -2.86 2.09 0.55 -0.36 -7.23 -1.26 -5.04 120.40 106.30 3hqp s VAL 15 Ca 0.60 -0.53 -0.16 0.00 -1.81 0.00 0.00 61.98 60.08 3hqp s VAL 15 Cb -0.15 -2.55 -0.06 0.00 0.56 0.00 0.00 36.38 34.18 3hqp s VAL 15 CO 0.50 0.00 1.02 0.00 -0.31 0.00 0.00 175.10 176.31 3hqp s ALA 16 N -3.24 2.92 -2.00 1.32 0.00 -1.26 -4.94 121.76 114.55 3hqp s ALA 16 Ca 0.68 0.27 0.19 0.00 0.00 0.00 0.00 51.96 53.10 3hqp s ALA 16 Cb -0.05 -3.17 1.15 0.00 0.00 0.00 0.00 23.12 21.05 3hqp s ALA 16 CO 0.46 -0.51 1.58 0.27 0.00 0.00 0.00 175.76 177.55 3hqp n ASN 17 N -1.81 0.00 -3.81 0.00 2.04 -1.26 -4.74 115.26 105.68 3hqp n ASN 17 Ca 0.08 -0.83 -0.12 0.00 -0.44 0.00 0.00 54.58 53.26 3hqp n ASN 17 Cb 0.53 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.69 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 -2.00 -0.11 -0.19 -2.53 -0.85 -1.26 -5.06 117.35 105.35 3hqp s TYR 18 Ca 0.29 0.20 -0.09 0.00 -0.52 0.00 0.00 57.07 56.95 3hqp s TYR 18 Cb 0.13 0.04 -0.05 0.00 0.38 0.00 0.00 41.96 42.46 3hqp s TYR 18 CO 0.22 -0.29 0.12 0.50 -1.52 0.00 0.00 175.55 174.59 3hqp s ARG 19 N -1.01 4.09 -0.09 -3.49 3.52 -1.26 -5.01 118.95 115.69 3hqp s ARG 19 Ca -0.11 -0.22 -0.09 0.00 -0.13 0.00 0.00 55.73 55.18 3hqp s ARG 19 Cb -0.05 -3.37 -0.28 0.00 -1.56 0.00 0.00 34.95 29.68 3hqp s ARG 19 CO 0.02 0.35 0.49 0.00 -0.81 0.00 0.00 175.30 175.34 3hqp h ALA 20 N 6.50 0.31 -2.60 6.12 0.00 -1.95 -3.43 119.26 124.21 3hqp h ALA 20 Ca -0.42 -1.28 -0.51 0.00 0.00 0.00 0.00 54.91 52.70 3hqp h ALA 20 Cb 1.16 0.60 0.10 0.00 0.00 0.00 0.00 17.79 19.65 3hqp h ALA 20 CO 0.74 1.17 0.42 0.00 0.00 0.00 0.00 179.25 181.57 3hqp s ALA 21 N -2.56 2.55 0.01 0.00 0.00 -1.26 0.56 121.76 121.07 3hqp s ALA 21 Ca -0.20 0.77 0.05 0.00 0.00 0.00 0.00 51.96 52.58 3hqp s ALA 21 Cb 0.06 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3hqp s ALA 21 CO 0.80 -1.08 -0.11 1.03 0.00 0.00 0.00 175.76 176.40 3hqp s ARG 22 N -3.59 2.39 -0.17 0.00 1.81 -0.67 -4.89 118.95 113.84 3hqp s ARG 22 Ca 0.72 -0.81 -0.02 0.00 -1.72 0.00 0.00 55.73 53.90 3hqp s ARG 22 Cb -0.24 -2.39 -0.02 0.00 -0.45 0.00 0.00 34.95 31.85 3hqp s ARG 22 CO 0.34 0.58 -0.08 0.42 -0.68 0.00 0.00 175.30 175.88 3hqp s ILE 23 N -0.97 3.37 -0.15 1.52 1.01 -1.26 -0.99 121.20 123.74 3hqp s ILE 23 Ca 0.16 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 3hqp s ILE 23 Cb -0.11 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 3hqp s ILE 23 CO 0.07 0.48 0.01 -0.63 0.00 0.00 0.00 174.94 174.87 3hqp s ILE 24 N 0.72 4.38 -0.09 2.92 1.01 -0.61 -1.14 121.20 128.39 3hqp s ILE 24 Ca -0.04 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.46 3hqp s ILE 24 Cb -0.15 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 3hqp s ILE 24 CO 0.02 0.51 -0.21 0.00 0.00 0.00 0.00 174.94 175.25 3hqp s THR 26 N 0.13 4.99 -0.24 0.00 -4.23 -0.83 0.38 115.64 115.84 3hqp s THR 26 Ca -0.11 1.48 -0.15 0.00 -1.18 0.00 0.00 61.69 61.73 3hqp s THR 26 Cb -0.16 -4.06 -0.04 0.00 1.34 0.00 0.00 72.50 69.58 3hqp s THR 26 CO 0.06 0.17 0.35 -0.63 -0.54 0.00 0.00 174.62 174.03 3hqp s ILE 27 N 1.34 5.21 0.00 2.99 -1.09 -0.34 -2.58 121.20 126.73 3hqp s ILE 27 Ca 0.37 0.57 0.00 0.00 -2.23 0.00 0.00 60.65 59.36 3hqp s ILE 27 Cb -0.17 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 3hqp s ILE 27 CO 0.16 0.22 0.00 0.61 -1.23 0.00 0.00 174.94 174.70 3hqp n GLY 28 N 4.30 5.30 0.40 6.18 0.00 -1.24 -4.78 105.19 115.35 3hqp n GLY 28 Ca -0.09 -1.39 0.19 0.00 0.00 0.00 0.00 46.02 44.73 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 0.28 0.00 1.61 0.11 -1.81 -0.06 132.00 132.14 3hqp h PRO 29 Ca 0.00 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 3hqp h PRO 29 Cb 0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 3hqp h PRO 29 CO 0.00 0.19 -0.17 0.77 -0.21 0.00 0.00 178.00 178.58 3hqp h SER 30 N 0.29 0.00 0.00 -2.05 0.02 -1.62 -3.37 113.55 106.81 3hqp h SER 30 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3hqp h SER 30 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3hqp h SER 30 CO -0.11 0.17 -0.44 0.35 -1.14 0.00 0.00 176.83 175.66 3hqp n THR 31 N -3.33 0.05 0.11 -2.27 -2.24 -0.19 -4.89 114.28 101.52 3hqp n THR 31 Ca 0.00 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.52 3hqp n THR 31 Cb 0.40 0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.37 -6.88 -0.78 4.15 -1.31 -3.36 115.11 107.31 3hqp h GLN 32 Ca 0.00 -0.64 -0.57 0.00 0.77 0.00 0.00 58.65 58.21 3hqp h GLN 32 Cb 1.35 0.24 0.16 0.00 0.21 0.00 0.00 27.48 29.44 3hqp h GLN 32 CO 0.00 1.28 0.20 -1.13 -1.93 0.00 0.00 178.83 177.25 3hqp n SER 33 N -3.58 1.04 -0.31 -0.69 3.41 -1.26 -4.78 113.62 107.44 3hqp n SER 33 Ca -0.15 0.82 0.04 0.00 -0.26 0.00 0.00 58.87 59.31 3hqp n SER 33 Cb 1.06 -1.42 0.18 0.00 -0.26 0.00 0.00 64.21 63.77 3hqp n SER 33 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3hqp h VAL 34 N 0.53 0.93 0.00 -3.33 3.04 -1.90 -1.36 116.25 114.16 3hqp h VAL 34 Ca -0.49 -0.30 -0.11 0.00 -1.01 0.00 0.00 66.70 64.79 3hqp h VAL 34 Cb 1.36 -0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.61 3hqp h VAL 34 CO 0.51 0.16 -0.53 -0.33 -1.01 0.00 0.00 177.57 176.37 3hqp h GLU 35 N 0.87 0.00 0.00 4.17 4.39 -1.96 -1.66 114.58 120.40 3hqp h GLU 35 Ca 0.42 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.94 3hqp h GLU 35 Cb 0.36 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 3hqp h GLU 35 CO -0.24 0.53 -0.84 0.00 -1.16 0.00 0.00 179.01 177.30 3hqp h ALA 36 N 1.47 0.60 -0.09 3.43 0.00 -1.75 -2.75 119.26 120.17 3hqp h ALA 36 Ca -0.01 -0.73 -0.17 0.00 0.00 0.00 0.00 54.91 54.00 3hqp h ALA 36 Cb 0.99 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3hqp h ALA 36 CO 0.07 0.97 -0.68 -0.07 0.00 0.00 0.00 179.25 179.55 3hqp h LEU 37 N 0.04 0.46 -0.59 0.00 3.38 -1.08 -2.18 115.31 115.34 3hqp h LEU 37 Ca -0.02 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 3hqp h LEU 37 Cb 1.47 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3hqp h LEU 37 CO 0.12 1.01 0.10 0.11 0.09 0.00 0.00 178.44 179.86 3hqp h LYS 38 N 0.28 0.98 -0.87 1.13 1.57 -1.32 -1.14 116.57 117.19 3hqp h LYS 38 Ca -0.02 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3hqp h LYS 38 Cb 1.23 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.39 3hqp h LYS 38 CO 0.12 0.92 0.53 0.78 -0.57 0.00 0.00 179.45 181.22 3hqp h GLY 39 N 0.88 1.27 0.99 3.86 0.00 -1.42 -0.34 103.07 108.29 3hqp h GLY 39 Ca 0.18 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3hqp h GLY 39 CO 0.01 0.51 -0.07 1.41 0.00 0.00 0.00 176.54 178.40 3hqp h LEU 40 N 1.20 -0.16 -0.34 3.11 4.07 -1.18 0.62 115.31 122.62 3hqp h LEU 40 Ca 0.31 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.29 3hqp h LEU 40 Cb -0.05 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 3hqp h LEU 40 CO -0.06 -0.10 0.16 0.40 -1.08 0.00 0.00 178.44 177.76 3hqp h ILE 41 N -0.21 0.97 0.00 1.22 2.04 -1.00 0.22 117.51 120.75 3hqp h ILE 41 Ca -0.02 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 3hqp h ILE 41 Cb 0.16 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3hqp h ILE 41 CO 0.03 0.06 -0.23 1.56 0.00 0.00 0.00 178.15 179.57 3hqp h GLN 42 N 0.34 0.00 0.00 2.37 4.20 -0.99 -2.47 115.11 118.55 3hqp h GLN 42 Ca 0.14 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.69 3hqp h GLN 42 Cb 0.06 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3hqp h GLN 42 CO -0.11 0.23 -0.77 0.77 -0.67 0.00 0.00 178.83 178.28 3hqp h SER 43 N 0.00 0.00 0.00 1.46 0.02 -0.28 -3.47 113.55 111.28 3hqp h SER 43 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hqp h SER 43 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3hqp h SER 43 CO 0.03 0.77 0.00 0.61 -1.14 0.00 0.00 176.83 177.10 3hqp n GLY 44 N 1.25 -0.63 3.74 -3.77 0.00 -0.19 -4.15 105.19 101.44 3hqp n GLY 44 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.26 -0.07 1.61 0.00 -0.11 -4.45 119.30 120.53 3hqp s MET 45 Ca 0.00 2.31 0.07 0.00 0.00 0.00 0.00 55.69 58.07 3hqp s MET 45 Cb 0.00 -3.12 -0.09 0.00 0.00 0.00 0.00 34.83 31.62 3hqp s MET 45 CO 0.00 -0.46 0.03 0.43 0.00 0.00 0.00 175.02 175.03 3hqp n SER 46 N 2.63 3.14 -3.97 1.11 7.64 -0.30 -4.63 113.62 119.25 3hqp n SER 46 Ca 0.08 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.76 3hqp n SER 46 Cb 0.40 0.72 -0.16 0.00 -1.01 0.00 0.00 64.21 64.16 3hqp n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hqp s VAL 47 N -2.20 0.72 -0.31 0.44 1.01 -0.99 -2.58 120.40 116.49 3hqp s VAL 47 Ca -0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 3hqp s VAL 47 Cb 0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 3hqp s VAL 47 CO 0.31 0.24 0.20 0.00 0.00 0.00 0.00 175.10 175.85 3hqp s ALA 48 N 0.39 3.45 -0.23 5.51 0.00 0.20 -0.44 121.76 130.65 3hqp s ALA 48 Ca -0.06 -1.28 -0.11 0.00 0.00 0.00 0.00 51.96 50.52 3hqp s ALA 48 Cb -0.10 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 3hqp s ALA 48 CO 0.01 -0.80 0.16 0.50 0.00 0.00 0.00 175.76 175.62 3hqp s ARG 49 N 1.71 4.11 -0.30 0.00 3.52 0.16 -1.08 118.95 127.07 3hqp s ARG 49 Ca 0.06 -0.24 -0.07 0.00 -0.13 0.00 0.00 55.73 55.35 3hqp s ARG 49 Cb -0.17 -3.50 0.01 0.00 -1.56 0.00 0.00 34.95 29.73 3hqp s ARG 49 CO 0.09 0.13 0.09 -1.64 -0.81 0.00 0.00 175.30 173.17 3hqp s MET 50 N 0.84 3.03 -0.44 5.12 -1.94 -0.01 -1.20 119.30 124.70 3hqp s MET 50 Ca 0.08 -0.90 -0.24 0.00 -1.71 0.00 0.00 55.69 52.92 3hqp s MET 50 Cb -0.13 -3.40 0.02 0.00 2.01 0.00 0.00 34.83 33.34 3hqp s MET 50 CO 0.03 -0.48 0.86 1.21 -0.01 0.00 0.00 175.02 176.62 3hqp s ASN 51 N 1.49 6.48 0.00 3.03 3.84 -1.26 0.12 114.94 128.64 3hqp s ASN 51 Ca 0.02 0.07 0.16 0.00 0.21 0.00 0.00 52.86 53.32 3hqp s ASN 51 Cb -0.18 -2.42 0.80 0.00 -0.55 0.00 0.00 41.25 38.90 3hqp s ASN 51 CO 0.03 -0.96 1.54 0.49 -2.79 0.00 0.00 177.10 175.40 3hqp n PHE 52 N 6.91 0.10 0.70 0.43 3.01 0.37 -2.13 117.46 126.85 3hqp n PHE 52 Ca 0.04 -0.05 0.13 0.00 1.01 0.00 0.00 57.45 58.58 3hqp n PHE 52 Cb 0.48 0.00 0.48 0.00 -0.01 0.00 0.00 39.48 40.43 3hqp n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3hqp n SER 53 N -0.32 0.46 -4.36 4.37 7.64 -1.26 -4.71 113.62 115.44 3hqp n SER 53 Ca 0.13 0.56 -0.18 0.00 1.01 0.00 0.00 58.87 60.38 3hqp n SER 53 Cb 0.15 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.57 3hqp n SER 53 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3hqp s HIS 54 N -3.09 1.67 0.00 1.43 3.76 -0.90 -5.01 115.29 113.15 3hqp s HIS 54 Ca 0.10 -0.82 0.00 0.00 -0.15 0.00 0.00 55.06 54.20 3hqp s HIS 54 Cb 0.14 -0.95 0.00 0.00 1.11 0.00 0.00 32.58 32.88 3hqp s HIS 54 CO 0.52 0.10 0.00 0.41 -0.85 0.00 0.00 174.74 174.91 3hqp n GLY 55 N -0.45 0.88 3.59 -2.22 0.00 -1.26 -4.86 105.19 100.87 3hqp n GLY 55 Ca -0.06 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.02 0.33 1.61 1.04 -1.26 -4.99 113.70 106.41 3hqp s SER 56 Ca 0.00 -0.97 0.06 0.00 0.48 0.00 0.00 55.95 55.52 3hqp s SER 56 Cb 0.00 0.60 0.74 0.00 0.10 0.00 0.00 66.02 67.46 3hqp s SER 56 CO 0.00 -1.17 1.85 0.45 0.98 0.00 0.00 173.24 175.35 3hqp h HIS 57 N 2.23 0.94 -0.30 5.02 -0.00 -1.98 -0.09 115.15 120.96 3hqp h HIS 57 Ca -0.26 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.05 3hqp h HIS 57 Cb 1.25 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 28.36 3hqp h HIS 57 CO 0.51 0.34 -0.15 1.49 -0.00 0.00 0.00 177.93 180.12 3hqp h GLU 58 N 0.79 0.64 -0.69 2.45 4.81 -1.99 -1.91 114.58 118.67 3hqp h GLU 58 Ca 0.48 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3hqp h GLU 58 Cb 0.67 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 3hqp h GLU 58 CO -0.24 0.87 0.40 -0.92 -0.73 0.00 0.00 179.01 178.38 3hqp h TYR 59 N 0.39 0.94 0.00 0.92 3.20 -1.65 -2.30 116.97 118.47 3hqp h TYR 59 Ca 0.07 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3hqp h TYR 59 Cb 0.68 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.64 3hqp h TYR 59 CO 0.06 0.65 0.00 0.45 -1.64 0.00 0.00 178.16 177.68 3hqp h HIS 60 N 0.95 0.00 -0.24 -3.82 3.86 -1.08 -2.86 115.15 111.96 3hqp h HIS 60 Ca 0.25 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.41 3hqp h HIS 60 Cb 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 3hqp h HIS 60 CO -0.01 0.00 -0.01 0.37 0.86 0.00 0.00 177.93 179.14 3hqp h GLN 61 N 0.00 0.43 -0.87 2.45 5.75 -0.80 -1.08 115.11 120.99 3hqp h GLN 61 Ca 0.00 -0.14 0.10 0.00 -0.15 0.00 0.00 58.65 58.46 3hqp h GLN 61 Cb 0.73 -0.04 -0.08 0.00 1.07 0.00 0.00 27.48 29.17 3hqp h GLN 61 CO 0.00 0.62 0.50 1.15 -2.65 0.00 0.00 178.83 178.45 3hqp h THR 62 N 0.19 0.90 -0.19 2.39 2.02 -1.25 -1.18 112.91 115.79 3hqp h THR 62 Ca 0.07 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 3hqp h THR 62 Cb 0.43 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3hqp h THR 62 CO 0.01 0.15 0.08 0.74 0.37 0.00 0.00 175.52 176.88 3hqp h THR 63 N 0.82 1.15 -0.01 3.16 2.02 -1.31 -1.45 112.91 117.30 3hqp h THR 63 Ca 0.42 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 67.16 3hqp h THR 63 Cb 0.41 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3hqp h THR 63 CO -0.26 0.15 -0.11 0.40 0.37 0.00 0.00 175.52 176.07 3hqp h ILE 64 N 0.17 0.73 -0.95 3.11 2.04 -0.66 0.05 117.51 122.00 3hqp h ILE 64 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 3hqp h ILE 64 Cb 0.16 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 3hqp h ILE 64 CO -0.01 0.00 0.58 0.78 0.00 0.00 0.00 178.15 179.51 3hqp h ASN 65 N -0.18 1.14 -0.07 1.72 2.35 -1.24 -2.59 115.58 116.71 3hqp h ASN 65 Ca 0.04 -0.06 -0.21 0.00 -0.55 0.00 0.00 56.30 55.52 3hqp h ASN 65 Cb 0.23 -0.29 0.01 0.00 0.05 0.00 0.00 38.32 38.33 3hqp h ASN 65 CO -0.11 0.86 -0.79 0.78 -1.65 0.00 0.00 177.43 176.52 3hqp h ASN 66 N 1.31 0.82 -0.13 5.81 2.35 -0.98 -2.17 115.58 122.59 3hqp h ASN 66 Ca 0.34 -0.69 0.01 0.00 -0.55 0.00 0.00 56.30 55.42 3hqp h ASN 66 Cb -0.07 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.04 3hqp h ASN 66 CO -0.07 1.38 0.03 0.58 -1.65 0.00 0.00 177.43 177.71 3hqp h VAL 67 N 0.32 0.96 -0.84 2.81 2.07 -0.98 0.96 116.25 121.56 3hqp h VAL 67 Ca -0.08 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3hqp h VAL 67 Cb 1.44 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 3hqp h VAL 67 CO 0.16 0.02 0.55 0.03 0.02 0.00 0.00 177.57 178.34 3hqp h ARG 68 N 0.09 1.11 -0.21 1.57 3.08 -1.50 -1.18 114.38 117.35 3hqp h ARG 68 Ca 0.06 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 3hqp h ARG 68 Cb 0.04 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.85 3hqp h ARG 68 CO -0.07 0.74 -0.55 0.37 -1.07 0.00 0.00 179.97 179.40 3hqp h GLN 69 N 1.14 0.74 -0.63 0.04 4.15 -1.05 -1.69 115.11 117.80 3hqp h GLN 69 Ca 0.31 -0.52 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 3hqp h GLN 69 Cb -0.11 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 3hqp h GLN 69 CO -0.06 1.14 0.31 0.00 -1.93 0.00 0.00 178.83 178.29 3hqp h ALA 70 N 0.60 0.81 -0.13 3.38 0.00 -0.54 -2.37 119.26 121.01 3hqp h ALA 70 Ca -0.01 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3hqp h ALA 70 Cb 1.17 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3hqp h ALA 70 CO 0.12 0.36 -0.21 0.00 0.00 0.00 0.00 179.25 179.53 3hqp h ALA 71 N 1.14 0.20 -0.77 0.00 0.00 -1.22 -2.76 119.26 115.85 3hqp h ALA 71 Ca 0.22 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3hqp h ALA 71 Cb 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3hqp h ALA 71 CO -0.03 0.14 0.51 0.00 0.00 0.00 0.00 179.25 179.87 3hqp h ALA 72 N 0.56 1.53 0.00 0.00 0.00 -1.32 0.14 119.26 120.16 3hqp h ALA 72 Ca 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3hqp h ALA 72 Cb 0.78 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hqp h ALA 72 CO 0.05 0.40 -0.24 0.93 0.00 0.00 0.00 179.25 180.39 3hqp h GLU 73 N 0.96 0.00 -0.03 0.00 5.08 -1.36 -2.85 114.58 116.38 3hqp h GLU 73 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3hqp h GLU 73 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3hqp h GLU 73 CO -0.08 0.24 -0.02 1.28 -1.00 0.00 0.00 179.01 179.42 3hqp n LEU 74 N -3.71 2.74 -0.82 1.33 4.77 -0.54 -4.98 117.00 115.79 3hqp n LEU 74 Ca -0.01 -0.99 -0.10 0.00 -0.03 0.00 0.00 56.01 54.88 3hqp n LEU 74 Cb 0.35 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 3hqp n LEU 74 CO 0.34 0.47 -0.10 0.61 -1.33 0.00 0.00 177.39 177.38 3hqp n GLY 75 N 1.21 1.03 3.58 -0.72 0.00 0.38 -5.02 105.19 105.66 3hqp n GLY 75 Ca 0.12 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.39 3.02 -0.24 1.61 -7.23 -0.67 -5.00 120.40 109.50 3hqp s VAL 76 Ca 0.00 -2.09 -0.09 0.00 -1.81 0.00 0.00 61.98 57.99 3hqp s VAL 76 Cb 0.00 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 3hqp s VAL 76 CO 0.00 -0.36 0.11 0.20 -0.31 0.00 0.00 175.10 174.74 3hqp s ASN 77 N -3.62 5.63 -0.11 4.85 0.01 -1.26 -4.27 114.94 116.17 3hqp s ASN 77 Ca 0.31 -0.04 0.03 0.00 -0.71 0.00 0.00 52.86 52.46 3hqp s ASN 77 Cb -0.05 -2.01 0.01 0.00 0.41 0.00 0.00 41.25 39.60 3hqp s ASN 77 CO 0.18 0.02 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.95 3hqp s ILE 78 N 1.28 1.96 0.41 0.60 -1.09 -1.26 -4.75 121.20 118.35 3hqp s ILE 78 Ca 0.06 -0.94 -0.25 0.00 -2.23 0.00 0.00 60.65 57.29 3hqp s ILE 78 Cb -0.14 -1.71 -0.08 0.00 -1.58 0.00 0.00 42.46 38.94 3hqp s ILE 78 CO 0.05 0.53 1.18 0.00 -1.23 0.00 0.00 174.94 175.48 3hqp s ALA 79 N 0.56 3.13 -0.18 9.38 0.00 -1.06 -4.90 121.76 128.68 3hqp s ALA 79 Ca -0.14 0.99 -0.00 0.00 0.00 0.00 0.00 51.96 52.80 3hqp s ALA 79 Cb -0.17 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.57 3hqp s ALA 79 CO 0.04 -0.58 -0.15 0.42 0.00 0.00 0.00 175.76 175.49 3hqp s ILE 80 N -1.42 2.56 -0.13 0.00 1.01 -1.26 -0.63 121.20 121.32 3hqp s ILE 80 Ca 0.58 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 60.47 3hqp s ILE 80 Cb -0.31 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.07 3hqp s ILE 80 CO 0.39 0.51 -0.22 0.00 0.00 0.00 0.00 174.94 175.61 3hqp s ALA 81 N 1.12 2.25 -0.37 9.38 0.00 -0.24 -1.21 121.76 132.68 3hqp s ALA 81 Ca 0.00 -1.07 -0.21 0.00 0.00 0.00 0.00 51.96 50.69 3hqp s ALA 81 Cb -0.14 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.01 3hqp s ALA 81 CO -0.05 0.03 0.65 -1.17 0.00 0.00 0.00 175.76 175.22 3hqp s LEU 82 N 0.72 4.29 -0.36 0.00 0.20 -0.32 -0.83 118.68 122.38 3hqp s LEU 82 Ca -0.09 0.07 -0.20 0.00 0.69 0.00 0.00 54.13 54.60 3hqp s LEU 82 Cb -0.16 -2.79 0.00 0.00 -0.43 0.00 0.00 46.19 42.81 3hqp s LEU 82 CO 0.00 -0.64 0.60 -0.62 -0.29 0.00 0.00 176.35 175.40 3hqp s ASP 83 N 1.84 6.39 0.96 3.68 -1.08 0.12 -0.18 116.67 128.40 3hqp s ASP 83 Ca 0.25 0.09 -0.12 0.00 -0.52 0.00 0.00 52.55 52.25 3hqp s ASP 83 Cb -0.14 -2.31 0.16 0.00 -1.46 0.00 0.00 42.92 39.17 3hqp s ASP 83 CO 0.16 -0.57 1.09 -0.89 0.52 0.00 0.00 175.17 175.48 3hqp s THR 84 N 2.62 2.41 -0.13 1.71 2.01 0.23 -0.48 115.64 124.02 3hqp s THR 84 Ca 0.23 0.13 -0.16 0.00 0.31 0.00 0.00 61.69 62.20 3hqp s THR 84 Cb -0.15 -2.52 -0.14 0.00 0.01 0.00 0.00 72.50 69.70 3hqp s THR 84 CO 0.14 -0.18 0.38 0.11 -0.69 0.00 0.00 174.62 174.39 3hqp h LYS 85 N -1.80 0.00 0.00 4.92 1.57 -1.90 -3.40 116.57 115.96 3hqp h LYS 85 Ca -0.52 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.30 3hqp h LYS 85 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 3hqp h LYS 85 CO 0.53 0.56 -0.05 0.41 -0.57 0.00 0.00 179.45 180.33 3hqp n GLY 86 N 1.66 -1.89 3.36 3.86 0.00 -1.26 -4.26 105.19 106.66 3hqp n GLY 86 Ca -0.08 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.06 1.67 -4.45 1.61 -0.02 -1.26 -4.89 135.00 126.59 3hqp n PRO 87 Ca 0.00 -2.25 -0.23 0.00 -2.02 0.00 0.00 63.50 59.00 3hqp n PRO 87 Cb 0.07 -3.36 -0.10 0.00 -0.02 0.00 0.00 33.50 30.09 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 5.66 1.61 -0.09 -0.52 -1.05 -1.26 -4.96 118.70 118.09 3hqp s GLU 88 Ca 0.63 -1.73 0.02 0.00 -0.15 0.00 0.00 54.97 53.73 3hqp s GLU 88 Cb 0.06 -1.65 -0.02 0.00 -0.44 0.00 0.00 34.13 32.09 3hqp s GLU 88 CO 0.12 0.30 -0.14 0.42 0.95 0.00 0.00 175.26 176.92 3hqp s ILE 89 N -2.59 3.01 0.11 1.83 1.01 -1.26 -4.97 121.20 118.34 3hqp s ILE 89 Ca 0.28 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.28 3hqp s ILE 89 Cb -0.04 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3hqp s ILE 89 CO 0.13 0.56 -0.12 -0.13 0.00 0.00 0.00 174.94 175.38 3hqp s ARG 90 N -0.14 0.92 0.93 2.79 1.81 -1.26 -1.28 118.95 122.72 3hqp s ARG 90 Ca -0.01 -1.19 -0.14 0.00 -1.72 0.00 0.00 55.73 52.67 3hqp s ARG 90 Cb -0.14 -0.69 0.16 0.00 -0.45 0.00 0.00 34.95 33.83 3hqp s ARG 90 CO 0.03 0.12 1.23 0.95 -0.68 0.00 0.00 175.30 176.96 3hqp s THR 91 N -2.29 1.96 0.00 0.02 -4.23 -0.33 -1.05 115.64 109.73 3hqp s THR 91 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 3hqp s THR 91 Cb -0.04 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.89 3hqp s THR 91 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 3hqp n GLY 92 N -3.12 -0.08 3.98 3.99 0.00 -0.00 -4.13 105.19 105.82 3hqp n GLY 92 Ca 0.11 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 3hqp n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hqp s GLN 93 N -0.07 3.12 0.22 1.61 -0.21 -0.41 -1.66 119.66 122.27 3hqp s GLN 93 Ca 0.00 -0.80 0.11 0.00 0.02 0.00 0.00 55.36 54.69 3hqp s GLN 93 Cb 0.00 -2.73 -0.05 0.00 1.00 0.00 0.00 33.01 31.23 3hqp s GLN 93 CO 0.00 -0.03 -0.22 -0.06 -2.12 0.00 0.00 175.29 172.86 3hqp s PHE 94 N -2.30 2.23 -0.05 0.91 0.08 -1.24 -0.75 117.98 116.86 3hqp s PHE 94 Ca 0.45 -0.37 -0.30 0.00 0.12 0.00 0.00 56.93 56.84 3hqp s PHE 94 Cb -0.10 -1.05 -0.06 0.00 -0.57 0.00 0.00 43.02 41.24 3hqp s PHE 94 CO 0.33 0.55 1.75 0.08 -0.10 0.00 0.00 175.22 177.84 3hqp s VAL 95 N -2.03 3.43 0.00 -0.44 1.01 -0.33 -1.81 120.40 120.23 3hqp s VAL 95 Ca 0.23 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3hqp s VAL 95 Cb -0.06 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3hqp s VAL 95 CO 0.11 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.76 3hqp n GLY 96 N 4.34 0.53 2.44 4.51 0.00 -1.26 -4.11 105.19 111.63 3hqp n GLY 96 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.89 2.43 3.64 -0.02 0.00 -0.75 -4.98 105.19 102.63 3hqp n GLY 97 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.59 -0.04 -0.01 1.61 3.84 -1.26 -2.48 116.67 114.74 3hqp s ASP 98 Ca 0.00 -0.93 0.00 0.00 -0.00 0.00 0.00 52.55 51.63 3hqp s ASP 98 Cb 0.00 0.63 0.01 0.00 -1.38 0.00 0.00 42.92 42.18 3hqp s ASP 98 CO 0.00 -1.22 -0.01 0.00 -0.00 0.00 0.00 175.17 173.94 3hqp s ALA 99 N -3.83 0.19 -0.58 2.11 0.00 0.37 -4.51 121.76 115.52 3hqp s ALA 99 Ca 0.21 0.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.02 3hqp s ALA 99 Cb -0.02 -0.15 0.11 0.00 0.00 0.00 0.00 23.12 23.06 3hqp s ALA 99 CO 0.10 -0.01 0.67 0.08 0.00 0.00 0.00 175.76 176.60 3hqp s VAL 100 N 0.40 4.88 -0.16 0.00 1.01 -1.26 -0.71 120.40 124.56 3hqp s VAL 100 Ca -0.04 -1.08 -0.22 0.00 0.00 0.00 0.00 61.98 60.64 3hqp s VAL 100 Cb -0.06 -4.47 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 3hqp s VAL 100 CO -0.01 -1.09 0.67 -0.04 0.00 0.00 0.00 175.10 174.64 3hqp s MET 101 N 2.51 4.29 -0.06 2.72 -1.94 -0.40 -4.87 119.30 121.54 3hqp s MET 101 Ca 0.10 0.74 0.05 0.00 -1.71 0.00 0.00 55.69 54.87 3hqp s MET 101 Cb -0.25 -3.54 -0.01 0.00 2.01 0.00 0.00 34.83 33.03 3hqp s MET 101 CO 0.06 -0.16 -0.21 -2.00 -0.01 0.00 0.00 175.02 172.69 3hqp s GLU 102 N 1.63 2.64 -0.08 2.03 2.12 -1.26 -0.44 118.70 125.33 3hqp s GLU 102 Ca 0.32 -0.84 -0.38 0.00 0.36 0.00 0.00 54.97 54.44 3hqp s GLU 102 Cb -0.16 -2.26 -0.16 0.00 0.26 0.00 0.00 34.13 31.80 3hqp s GLU 102 CO 0.12 0.41 1.56 -2.13 -0.54 0.00 0.00 175.26 174.68 3hqp n ARG 103 N 2.88 1.23 0.00 4.30 0.63 -1.26 -1.67 116.66 122.77 3hqp n ARG 103 Ca -0.17 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 3hqp n ARG 103 Cb 0.52 -2.12 0.00 0.00 0.45 0.00 0.00 32.46 31.31 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 3.39 2.02 3.80 5.14 0.00 0.32 -4.98 105.19 114.88 3hqp n GLY 104 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.33 2.61 -0.02 4.61 0.00 -0.67 -4.77 121.76 121.19 3hqp s ALA 105 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.26 3hqp s ALA 105 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3hqp s ALA 105 CO 0.00 -1.16 -0.07 0.95 0.00 0.00 0.00 175.76 175.47 3hqp s THR 106 N -2.73 3.63 0.07 0.00 -4.23 -1.26 -0.52 115.64 110.59 3hqp s THR 106 Ca 0.61 -0.67 -0.03 0.00 -1.18 0.00 0.00 61.69 60.42 3hqp s THR 106 Cb -0.16 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.12 3hqp s THR 106 CO 0.47 0.48 0.05 0.00 -0.54 0.00 0.00 174.62 175.08 3hqp s TYR 108 N -3.92 2.84 -0.15 0.00 2.02 0.01 -0.21 117.35 117.93 3hqp s TYR 108 Ca 0.09 -0.76 -0.05 0.00 -0.37 0.00 0.00 57.07 55.97 3hqp s TYR 108 Cb 0.07 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 3hqp s TYR 108 CO -0.09 -0.31 0.02 0.14 -1.57 0.00 0.00 175.55 173.74 3hqp s VAL 109 N 0.62 4.45 0.12 0.71 -7.23 -0.38 -1.65 120.40 117.05 3hqp s VAL 109 Ca -0.07 -0.16 0.06 0.00 -1.81 0.00 0.00 61.98 60.00 3hqp s VAL 109 Cb -0.15 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 3hqp s VAL 109 CO 0.03 0.50 -0.15 0.28 -0.31 0.00 0.00 175.10 175.45 3hqp s THR 110 N 0.10 1.40 -1.19 5.32 -1.32 -0.29 -0.85 115.64 118.80 3hqp s THR 110 Ca 0.03 -1.69 0.16 0.00 -1.21 0.00 0.00 61.69 58.98 3hqp s THR 110 Cb -0.13 -1.53 0.52 0.00 -1.51 0.00 0.00 72.50 69.85 3hqp s THR 110 CO 0.01 -0.36 1.44 0.35 -2.21 0.00 0.00 174.62 173.85 3hqp n THR 111 N 0.61 1.31 -2.61 5.08 -2.24 -0.89 -0.92 114.28 114.62 3hqp n THR 111 Ca -0.16 -1.13 -0.43 0.00 -2.27 0.00 0.00 64.05 60.06 3hqp n THR 111 Cb 0.56 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 3hqp n THR 111 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hqp s ASP 112 N -1.07 6.96 0.00 3.42 3.68 -1.26 -4.88 116.67 123.51 3hqp s ASP 112 Ca 0.39 1.21 0.10 0.00 2.13 0.00 0.00 52.55 56.37 3hqp s ASP 112 Cb 0.23 -2.54 0.45 0.00 -1.45 0.00 0.00 42.92 39.60 3hqp s ASP 112 CO 0.22 -0.83 1.26 -2.65 0.13 0.00 0.00 175.17 173.30 3hqp n PRO 113 N 6.73 0.06 0.23 4.34 -0.02 -1.26 -1.84 135.00 143.24 3hqp n PRO 113 Ca 0.12 0.27 0.07 0.00 -2.02 0.00 0.00 63.50 61.95 3hqp n PRO 113 Cb 0.47 -1.50 0.55 0.00 -0.02 0.00 0.00 33.50 32.99 3hqp n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqp h ALA 114 N 2.39 1.55 -0.34 3.55 0.00 -2.00 -2.77 119.26 121.64 3hqp h ALA 114 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hqp h ALA 114 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hqp h ALA 114 CO 0.00 0.23 0.00 1.19 0.00 0.00 0.00 179.25 180.67 3hqp n PHE 115 N -4.11 0.45 0.24 0.00 3.01 -0.76 -4.51 117.46 111.77 3hqp n PHE 115 Ca -0.02 -0.22 0.10 0.00 1.01 0.00 0.00 57.45 58.32 3hqp n PHE 115 Cb 0.26 0.00 0.59 0.00 -0.01 0.00 0.00 39.48 40.32 3hqp n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hqp h ALA 116 N 3.95 1.22 0.00 4.37 0.00 -1.65 -3.30 119.26 123.84 3hqp h ALA 116 Ca 0.00 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.41 3hqp h ALA 116 Cb 0.59 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 3hqp h ALA 116 CO 0.00 0.24 -2.24 -0.25 0.00 0.00 0.00 179.25 177.01 3hqp n ASP 117 N -3.64 2.00 -3.42 0.00 8.00 -1.26 -1.28 116.55 116.95 3hqp n ASP 117 Ca -0.01 -0.10 -0.30 0.00 0.71 0.00 0.00 54.79 55.09 3hqp n ASP 117 Cb 0.32 -0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 3hqp n ASP 117 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hqp n LYS 118 N -3.05 3.12 -2.16 -1.24 5.02 -1.24 -3.68 118.16 114.94 3hqp n LYS 118 Ca -0.37 -4.70 -0.30 0.00 -2.02 0.00 0.00 58.31 50.92 3hqp n LYS 118 Cb 0.94 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3hqp n LYS 118 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3hqp s GLY 119 N -2.53 1.66 0.21 0.72 0.00 0.07 -4.74 107.32 102.71 3hqp s GLY 119 Ca 0.40 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.96 3hqp s GLY 119 CO -0.02 0.05 0.09 -1.30 0.00 0.00 0.00 173.10 171.91 3hqp n THR 120 N -2.47 0.00 0.31 0.90 -2.24 -0.65 -1.18 114.28 108.94 3hqp n THR 120 Ca 0.04 -1.23 0.16 0.00 -2.27 0.00 0.00 64.05 60.75 3hqp n THR 120 Cb 0.54 0.47 0.72 0.00 -2.10 0.00 0.00 70.33 69.96 3hqp n THR 120 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3hqp h LYS 121 N 0.00 0.00 0.05 -0.78 2.10 -1.89 -3.27 116.57 112.78 3hqp h LYS 121 Ca -0.16 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.13 3hqp h LYS 121 Cb 0.63 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.91 3hqp h LYS 121 CO 0.25 0.00 -2.15 -0.25 -2.00 0.00 0.00 179.45 175.30 3hqp n ASP 122 N -2.72 1.66 -3.63 7.07 8.00 -1.26 -4.70 116.55 120.97 3hqp n ASP 122 Ca 0.00 0.11 -0.08 0.00 0.71 0.00 0.00 54.79 55.53 3hqp n ASP 122 Cb 0.20 -0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 40.81 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 -2.54 0.35 0.11 -1.24 2.20 -1.23 -0.81 119.74 116.57 3hqp s LYS 123 Ca -0.22 1.04 -0.01 0.00 -0.36 0.00 0.00 55.97 56.42 3hqp s LYS 123 Cb 0.07 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.68 3hqp s LYS 123 CO 0.73 -0.27 0.03 -0.59 -0.36 0.00 0.00 175.35 174.89 3hqp s PHE 124 N 2.63 0.80 0.12 4.03 -0.71 -0.66 -1.64 117.98 122.56 3hqp s PHE 124 Ca -0.01 -1.18 -0.23 0.00 -1.04 0.00 0.00 56.93 54.47 3hqp s PHE 124 Cb -0.12 -0.47 -0.07 0.00 -1.21 0.00 0.00 43.02 41.14 3hqp s PHE 124 CO -0.13 -0.47 0.69 -0.47 -1.34 0.00 0.00 175.22 173.50 3hqp s TYR 125 N -3.99 3.86 -0.08 3.49 5.04 -1.26 -1.14 117.35 123.27 3hqp s TYR 125 Ca 0.20 1.49 0.03 0.00 -2.44 0.00 0.00 57.07 56.34 3hqp s TYR 125 Cb 0.08 -2.66 0.01 0.00 0.35 0.00 0.00 41.96 39.73 3hqp s TYR 125 CO -0.01 0.54 -0.16 0.42 -1.34 0.00 0.00 175.55 175.00 3hqp s ILE 126 N -1.09 1.45 -2.01 3.14 1.01 -0.10 -0.82 121.20 122.78 3hqp s ILE 126 Ca 0.33 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.39 3hqp s ILE 126 Cb -0.22 -1.30 0.16 0.00 0.01 0.00 0.00 42.46 41.11 3hqp s ILE 126 CO 0.23 0.43 1.16 -0.90 0.00 0.00 0.00 174.94 175.86 3hqp n ASP 127 N 3.84 0.67 -4.40 3.58 5.68 -0.22 -4.30 116.55 121.40 3hqp n ASP 127 Ca -0.21 -1.94 -0.44 0.00 -0.50 0.00 0.00 54.79 51.70 3hqp n ASP 127 Cb 0.52 -0.08 -0.05 0.00 -1.14 0.00 0.00 41.12 40.37 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 -1.84 3.02 0.50 2.11 5.04 -1.26 -4.94 117.35 119.99 3hqp s TYR 128 Ca 0.11 -0.81 0.22 0.00 -2.44 0.00 0.00 57.07 54.15 3hqp s TYR 128 Cb 0.06 -3.82 1.30 0.00 0.35 0.00 0.00 41.96 39.85 3hqp s TYR 128 CO 0.08 -1.19 1.99 1.96 -1.34 0.00 0.00 175.55 177.05 3hqp h GLN 129 N 9.11 0.11 -0.62 4.97 1.08 -1.90 -1.45 115.11 126.41 3hqp h GLN 129 Ca -0.29 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 3hqp h GLN 129 Cb 1.09 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 3hqp h GLN 129 CO 1.05 0.07 0.00 -1.71 -0.95 0.00 0.00 178.83 177.29 3hqp n ASN 130 N -4.41 3.64 -0.21 1.46 4.05 -1.26 -4.56 115.26 113.97 3hqp n ASN 130 Ca 0.10 -2.21 0.01 0.00 0.45 0.00 0.00 54.58 52.93 3hqp n ASN 130 Cb 0.56 -0.47 0.09 0.00 1.23 0.00 0.00 39.78 41.19 3hqp n ASN 130 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 3hqp h LEU 131 N 3.40 -0.42 -2.26 1.20 5.85 -1.66 -1.49 115.31 119.93 3hqp h LEU 131 Ca 0.00 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3hqp h LEU 131 Cb 1.05 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 3hqp h LEU 131 CO 0.11 -0.17 -0.04 0.28 -0.34 0.00 0.00 178.44 178.29 3hqp h SER 132 N 0.06 0.00 -0.21 1.25 0.02 -1.84 -0.91 113.55 111.92 3hqp h SER 132 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3hqp h SER 132 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3hqp h SER 132 CO -0.59 0.04 0.00 0.29 -1.14 0.00 0.00 176.83 175.43 3hqp n LYS 133 N -3.85 2.09 -0.03 3.45 5.02 -0.57 -4.21 118.16 120.05 3hqp n LYS 133 Ca -0.03 -1.62 -0.03 0.00 -2.02 0.00 0.00 58.31 54.61 3hqp n LYS 133 Cb 0.13 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 3hqp n LYS 133 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hqp n VAL 134 N 0.87 0.44 -4.45 -0.18 0.31 -0.41 -5.03 118.33 109.88 3hqp n VAL 134 Ca 0.17 -0.26 -0.32 0.00 -0.01 0.00 0.00 64.34 63.92 3hqp n VAL 134 Cb 0.47 -0.83 -0.10 0.00 -0.91 0.00 0.00 33.84 32.47 3hqp n VAL 134 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3hqp s VAL 135 N -2.15 3.74 0.18 2.52 -7.23 -0.82 -5.05 120.40 111.59 3hqp s VAL 135 Ca -0.04 -0.70 0.10 0.00 -1.81 0.00 0.00 61.98 59.52 3hqp s VAL 135 Cb 0.02 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 3hqp s VAL 135 CO 0.25 0.42 -0.21 -0.13 -0.31 0.00 0.00 175.10 175.11 3hqp s ARG 136 N -1.35 1.39 -0.37 4.82 0.52 -1.26 -4.83 118.95 117.86 3hqp s ARG 136 Ca 0.17 -1.45 -0.42 0.00 -0.52 0.00 0.00 55.73 53.51 3hqp s ARG 136 Cb -0.11 -1.60 -0.17 0.00 0.52 0.00 0.00 34.95 33.59 3hqp s ARG 136 CO 0.07 0.34 1.78 -2.30 0.02 0.00 0.00 175.30 175.21 3hqp n PRO 137 N 0.33 0.72 0.00 3.54 -0.02 -1.26 -1.26 135.00 137.05 3hqp n PRO 137 Ca -0.13 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3hqp n PRO 137 Cb 0.56 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3hqp n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqp n GLY 138 N 4.64 1.06 3.74 -1.23 0.00 0.17 -4.95 105.19 108.62 3hqp n GLY 138 Ca 0.32 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3hqp n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hqp s ASN 139 N -0.64 4.39 -0.12 1.61 0.02 -0.39 -4.60 114.94 115.21 3hqp s ASN 139 Ca 0.00 2.18 -0.06 0.00 -1.02 0.00 0.00 52.86 53.96 3hqp s ASN 139 Cb 0.00 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.66 3hqp s ASN 139 CO 0.00 -2.12 0.12 -0.31 0.02 0.00 0.00 177.10 174.81 3hqp s TYR 140 N -2.23 3.51 -0.23 2.20 2.02 -1.26 -0.43 117.35 120.92 3hqp s TYR 140 Ca 0.70 0.46 -0.06 0.00 -0.37 0.00 0.00 57.07 57.80 3hqp s TYR 140 Cb -0.25 -1.93 -0.02 0.00 -0.40 0.00 0.00 41.96 39.36 3hqp s TYR 140 CO 0.46 0.66 0.02 0.42 -1.57 0.00 0.00 175.55 175.54 3hqp s ILE 141 N -0.90 3.90 -0.17 2.71 1.01 0.52 -4.94 121.20 123.34 3hqp s ILE 141 Ca 0.14 -0.31 -0.16 0.00 0.00 0.00 0.00 60.65 60.32 3hqp s ILE 141 Cb -0.12 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 3hqp s ILE 141 CO 0.03 0.38 0.38 -0.31 0.00 0.00 0.00 174.94 175.42 3hqp s TYR 142 N 1.50 3.44 -0.05 3.97 1.51 -1.14 0.05 117.35 126.63 3hqp s TYR 142 Ca 0.06 0.67 0.05 0.00 -1.01 0.00 0.00 57.07 56.83 3hqp s TYR 142 Cb -0.15 -2.47 -0.00 0.00 -0.11 0.00 0.00 41.96 39.23 3hqp s TYR 142 CO 0.01 0.12 -0.18 0.42 -1.11 0.00 0.00 175.55 174.80 3hqp s ILE 143 N 0.85 1.52 -0.50 2.71 -1.09 0.13 -1.40 121.20 123.43 3hqp s ILE 143 Ca 0.20 -0.77 -0.01 0.00 -2.23 0.00 0.00 60.65 57.84 3hqp s ILE 143 Cb -0.14 -1.30 -0.01 0.00 -1.58 0.00 0.00 42.46 39.43 3hqp s ILE 143 CO 0.07 0.43 0.46 -0.67 -1.23 0.00 0.00 174.94 174.00 3hqp n ASP 144 N 3.12 -5.32 -3.35 3.58 2.03 0.62 -1.54 116.55 115.68 3hqp n ASP 144 Ca -0.18 -0.14 -0.23 0.00 0.52 0.00 0.00 54.79 54.76 3hqp n ASP 144 Cb 0.53 -3.54 -0.01 0.00 -0.72 0.00 0.00 41.12 37.38 3hqp n ASP 144 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3hqp n ASP 145 N -1.75 -3.47 -0.76 1.67 8.00 -1.26 -1.60 116.55 117.39 3hqp n ASP 145 Ca -0.01 -0.37 -0.10 0.00 0.71 0.00 0.00 54.79 55.02 3hqp n ASP 145 Cb 0.52 -2.89 -0.04 0.00 -0.02 0.00 0.00 41.12 38.69 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 -1.12 1.13 0.27 0.44 0.00 -1.18 -4.75 105.19 99.98 3hqp n GLY 146 Ca -0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 3hqp n GLY 146 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hqp h ILE 147 N 0.00 1.27 -3.54 -0.61 2.04 -1.07 -3.44 117.51 112.15 3hqp h ILE 147 Ca -0.20 -1.50 -0.67 0.00 1.00 0.00 0.00 64.86 63.49 3hqp h ILE 147 Cb 0.72 1.29 -0.24 0.00 -0.74 0.00 0.00 36.82 37.85 3hqp h ILE 147 CO 0.30 0.51 -0.74 -0.22 0.00 0.00 0.00 178.15 178.00 3hqp s LEU 148 N -8.94 2.87 -0.10 1.44 2.96 -0.59 -5.00 118.68 111.33 3hqp s LEU 148 Ca -0.11 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 3hqp s LEU 148 Cb 0.12 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 45.17 3hqp s LEU 148 CO 0.88 0.24 -0.23 -0.63 -1.32 0.00 0.00 176.35 175.28 3hqp s ILE 149 N -0.09 2.12 -0.12 6.68 1.01 -1.26 0.20 121.20 129.74 3hqp s ILE 149 Ca -0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.60 3hqp s ILE 149 Cb -0.14 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 3hqp s ILE 149 CO 0.03 0.56 0.00 -0.76 0.00 0.00 0.00 174.94 174.78 3hqp s LEU 150 N 0.29 3.55 -0.20 2.97 1.43 0.11 -2.24 118.68 124.59 3hqp s LEU 150 Ca -0.17 0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 3hqp s LEU 150 Cb -0.17 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3hqp s LEU 150 CO 0.08 0.29 0.10 -1.58 0.23 0.00 0.00 176.35 175.46 3hqp s GLN 151 N -0.32 4.03 0.18 1.70 0.74 -0.64 0.20 119.66 125.55 3hqp s GLN 151 Ca 0.07 -0.31 -0.30 0.00 0.05 0.00 0.00 55.36 54.87 3hqp s GLN 151 Cb -0.12 -3.33 -0.09 0.00 1.10 0.00 0.00 33.01 30.57 3hqp s GLN 151 CO 0.02 0.23 1.37 0.08 -0.55 0.00 0.00 175.29 176.43 3hqp s VAL 152 N 0.53 3.11 -0.13 1.34 1.01 0.43 -0.96 120.40 125.74 3hqp s VAL 152 Ca 0.05 0.88 -0.08 0.00 0.00 0.00 0.00 61.98 62.83 3hqp s VAL 152 Cb -0.12 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 3hqp s VAL 152 CO 0.00 0.11 -0.20 1.67 0.00 0.00 0.00 175.10 176.69 3hqp n GLN 153 N 3.01 0.32 -3.83 2.72 -0.06 0.14 0.46 117.38 120.13 3hqp n GLN 153 Ca 0.08 0.14 -0.09 0.00 -2.00 0.00 0.00 57.00 55.12 3hqp n GLN 153 Cb 0.42 -1.04 -0.05 0.00 -4.06 0.00 0.00 30.24 25.52 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 -6.26 -0.17 -0.22 1.69 1.04 -0.99 -4.69 113.70 104.10 3hqp s SER 154 Ca -0.20 -0.64 -0.23 0.00 0.48 0.00 0.00 55.95 55.36 3hqp s SER 154 Cb 0.07 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 3hqp s SER 154 CO 0.26 -1.05 0.75 -1.00 0.98 0.00 0.00 173.24 173.17 3hqp s HIS 155 N -3.92 3.35 -0.05 5.02 3.76 -1.26 -0.95 115.29 121.24 3hqp s HIS 155 Ca 0.13 1.06 -0.22 0.00 -0.15 0.00 0.00 55.06 55.88 3hqp s HIS 155 Cb -0.00 -2.95 -0.31 0.00 1.11 0.00 0.00 32.58 30.43 3hqp s HIS 155 CO 0.00 -0.30 0.87 0.93 -0.85 0.00 0.00 174.74 175.40 3hqp h GLU 156 N 7.59 0.29 0.00 1.40 4.39 -0.89 -3.47 114.58 123.88 3hqp h GLU 156 Ca -0.27 -0.49 -0.00 0.00 0.34 0.00 0.00 59.36 58.93 3hqp h GLU 156 Cb 1.12 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3hqp h GLU 156 CO 0.82 1.24 0.01 -0.40 -1.16 0.00 0.00 179.01 179.52 3hqp n ASP 157 N -4.13 -0.10 -0.29 1.42 5.68 -1.04 -4.95 116.55 113.14 3hqp n ASP 157 Ca -0.14 -1.08 0.28 0.00 -0.50 0.00 0.00 54.79 53.35 3hqp n ASP 157 Cb 0.82 0.17 0.63 0.00 -1.14 0.00 0.00 41.12 41.61 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 0.18 0.00 0.11 4.81 -2.03 -2.89 114.58 114.77 3hqp h GLU 158 Ca -0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3hqp h GLU 158 Cb 0.06 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3hqp h GLU 158 CO 0.02 0.12 -0.82 1.04 -0.73 0.00 0.00 179.01 178.64 3hqp n GLN 159 N -4.40 2.51 -5.17 1.92 6.02 -1.26 -4.84 117.38 112.16 3hqp n GLN 159 Ca 0.24 -0.03 -0.32 0.00 -0.01 0.00 0.00 57.00 56.88 3hqp n GLN 159 Cb 1.01 -0.99 -0.16 0.00 1.02 0.00 0.00 30.24 31.12 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 -2.07 2.31 -0.10 5.09 2.01 -1.09 -2.10 115.64 119.68 3hqp s THR 160 Ca 0.00 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.05 3hqp s THR 160 Cb 0.05 -1.85 -0.00 0.00 0.01 0.00 0.00 72.50 70.70 3hqp s THR 160 CO 0.29 0.57 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.82 3hqp s LEU 161 N -0.28 2.23 -0.10 4.42 1.43 -0.03 -0.16 118.68 126.19 3hqp s LEU 161 Ca 0.00 -0.50 -0.26 0.00 -1.03 0.00 0.00 54.13 52.34 3hqp s LEU 161 Cb -0.13 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 3hqp s LEU 161 CO 0.03 0.17 0.84 -0.70 0.23 0.00 0.00 176.35 176.92 3hqp s GLU 162 N 0.30 4.41 0.29 1.70 2.12 -0.12 -1.25 118.70 126.14 3hqp s GLU 162 Ca -0.16 1.10 0.06 0.00 0.36 0.00 0.00 54.97 56.33 3hqp s GLU 162 Cb -0.17 -3.51 -0.06 0.00 0.26 0.00 0.00 34.13 30.65 3hqp s GLU 162 CO 0.08 -0.16 -0.02 0.00 -0.54 0.00 0.00 175.26 174.62 3hqp s THR 164 N -3.12 2.34 -0.28 0.00 2.01 -0.13 -1.77 115.64 114.70 3hqp s THR 164 Ca 0.31 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 61.07 3hqp s THR 164 Cb 0.05 -1.90 0.01 0.00 0.01 0.00 0.00 72.50 70.67 3hqp s THR 164 CO 0.12 0.56 1.18 -0.69 -0.69 0.00 0.00 174.62 175.10 3hqp s VAL 165 N -0.00 4.37 -0.19 3.82 1.01 0.32 -1.62 120.40 128.11 3hqp s VAL 165 Ca -0.07 1.59 0.18 0.00 0.00 0.00 0.00 61.98 63.68 3hqp s VAL 165 Cb -0.15 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 31.99 3hqp s VAL 165 CO 0.05 -0.39 1.18 0.71 0.00 0.00 0.00 175.10 176.65 3hqp h THR 166 N 5.73 0.51 -2.97 3.92 1.35 -1.77 0.92 112.91 120.61 3hqp h THR 166 Ca -0.23 -1.82 -0.09 0.00 -0.55 0.00 0.00 66.41 63.72 3hqp h THR 166 Cb 1.08 2.09 -0.18 0.00 -1.73 0.00 0.00 68.15 69.41 3hqp h THR 166 CO 1.02 0.29 -0.17 0.54 -0.25 0.00 0.00 175.52 176.95 3hqp s ASN 167 N -6.02 -0.26 -0.09 5.36 4.22 -1.26 -4.76 114.94 112.14 3hqp s ASN 167 Ca 0.01 0.08 -0.28 0.00 -2.14 0.00 0.00 52.86 50.53 3hqp s ASN 167 Cb 0.08 0.38 -0.02 0.00 1.28 0.00 0.00 41.25 42.97 3hqp s ASN 167 CO 0.77 -0.56 0.92 -0.44 -2.04 0.00 0.00 177.10 175.75 3hqp s SER 168 N -1.66 7.18 -0.28 3.54 0.01 -1.26 -4.28 113.70 116.96 3hqp s SER 168 Ca -0.09 1.44 -0.23 0.00 1.31 0.00 0.00 55.95 58.38 3hqp s SER 168 Cb -0.02 -2.52 0.12 0.00 0.21 0.00 0.00 66.02 63.81 3hqp s SER 168 CO 0.01 -0.34 0.97 -2.28 0.41 0.00 0.00 173.24 172.01 3hqp s HIS 169 N 1.62 -0.56 -0.17 2.43 5.04 0.41 -4.95 115.29 119.11 3hqp s HIS 169 Ca 0.46 1.29 -0.17 0.00 -1.54 0.00 0.00 55.06 55.09 3hqp s HIS 169 Cb -0.19 0.37 -0.04 0.00 0.04 0.00 0.00 32.58 32.76 3hqp s HIS 169 CO 0.19 -0.27 0.46 0.99 -2.34 0.00 0.00 174.74 173.77 3hqp s THR 170 N 0.55 5.17 -0.09 0.89 2.01 -1.26 -1.27 115.64 121.63 3hqp s THR 170 Ca -0.00 0.87 0.01 0.00 0.31 0.00 0.00 61.69 62.88 3hqp s THR 170 Cb -0.05 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 3hqp s THR 170 CO -0.08 0.25 -0.11 0.27 -0.69 0.00 0.00 174.62 174.26 3hqp s ILE 171 N 1.18 3.26 0.72 1.82 -4.36 0.11 -4.95 121.20 118.99 3hqp s ILE 171 Ca 0.23 -0.62 -0.03 0.00 -0.26 0.00 0.00 60.65 59.97 3hqp s ILE 171 Cb -0.15 -2.34 0.11 0.00 1.25 0.00 0.00 42.46 41.34 3hqp s ILE 171 CO 0.09 0.56 1.00 -0.44 0.24 0.00 0.00 174.94 176.39 3hqp s SER 172 N -0.28 4.41 0.56 4.36 0.01 -1.26 -0.48 113.70 121.01 3hqp s SER 172 Ca 0.03 -0.17 -0.19 0.00 1.31 0.00 0.00 55.95 56.92 3hqp s SER 172 Cb -0.13 -0.27 -0.07 0.00 0.21 0.00 0.00 66.02 65.75 3hqp s SER 172 CO 0.03 -1.82 0.78 0.47 0.41 0.00 0.00 173.24 173.11 3hqp n ASP 173 N -2.86 0.06 -3.74 2.44 8.00 -1.04 -3.54 116.55 115.87 3hqp n ASP 173 Ca 0.13 0.81 -0.23 0.00 0.71 0.00 0.00 54.79 56.21 3hqp n ASP 173 Cb 0.60 -1.29 0.01 0.00 -0.02 0.00 0.00 41.12 40.42 3hqp n ASP 173 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3hqp n ARG 174 N -0.43 -0.66 -1.81 -1.24 1.85 -0.67 -4.94 116.66 108.77 3hqp n ARG 174 Ca 0.12 -0.02 -0.40 0.00 -1.00 0.00 0.00 57.85 56.55 3hqp n ARG 174 Cb 0.46 -1.06 0.01 0.00 -1.05 0.00 0.00 32.46 30.83 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 -5.64 3.80 0.30 2.89 3.00 -1.23 -4.66 118.95 117.41 3hqp s ARG 175 Ca 0.20 2.45 -0.29 0.00 0.00 0.00 0.00 55.73 58.09 3hqp s ARG 175 Cb -0.11 -2.74 -0.10 0.00 0.00 0.00 0.00 34.95 32.00 3hqp s ARG 175 CO 0.54 -0.74 1.23 0.20 0.00 0.00 0.00 175.30 176.54 3hqp s GLY 176 N -0.42 2.98 -0.07 -3.53 0.00 -1.26 -1.18 107.32 103.85 3hqp s GLY 176 Ca 0.59 1.12 0.05 0.00 0.00 0.00 0.00 44.72 46.48 3hqp s GLY 176 CO 0.58 1.78 -0.23 0.54 0.00 0.00 0.00 173.10 175.76 3hqp s VAL 177 N -1.05 1.92 -0.06 1.40 0.11 -0.40 -0.28 120.40 122.04 3hqp s VAL 177 Ca 0.48 -0.98 0.05 0.00 -2.93 0.00 0.00 61.98 58.61 3hqp s VAL 177 Cb -0.37 -1.64 -0.01 0.00 -1.53 0.00 0.00 36.38 32.84 3hqp s VAL 177 CO 0.48 0.53 -0.23 0.20 -3.33 0.00 0.00 175.10 172.75 3hqp s ASN 178 N 0.02 2.88 -0.66 3.54 0.01 -0.49 -4.22 114.94 116.02 3hqp s ASN 178 Ca -0.08 -0.49 0.05 0.00 -0.71 0.00 0.00 52.86 51.64 3hqp s ASN 178 Cb -0.14 -0.89 0.19 0.00 0.41 0.00 0.00 41.25 40.82 3hqp s ASN 178 CO 0.05 0.21 0.55 0.18 -1.51 0.00 0.00 177.10 176.57 3hqp n LEU 179 N 3.09 2.85 -4.70 0.60 4.32 -1.26 -2.88 117.00 119.02 3hqp n LEU 179 Ca -0.18 -5.19 -0.43 0.00 -0.02 0.00 0.00 56.01 50.20 3hqp n LEU 179 Cb 0.52 -0.59 -0.03 0.00 -1.62 0.00 0.00 43.42 41.70 3hqp n LEU 179 CO 0.26 1.85 1.42 -2.65 -1.22 0.00 0.00 177.39 177.04 3hqp n PRO 180 N 1.74 2.73 -3.57 3.23 -0.02 -1.26 -2.33 135.00 135.53 3hqp n PRO 180 Ca 0.23 0.99 -0.22 0.00 -2.02 0.00 0.00 63.50 62.48 3hqp n PRO 180 Cb 0.38 -2.86 0.08 0.00 -0.02 0.00 0.00 33.50 31.08 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 4.07 -0.48 0.04 -1.23 0.00 -1.26 -4.92 105.19 101.41 3hqp n GLY 181 Ca 0.17 0.20 0.01 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.33 -7.43 -4.75 0.00 4.64 -1.26 -4.97 116.55 102.44 3hqp n ASP 183 Ca 0.01 0.42 -0.39 0.00 -1.38 0.00 0.00 54.79 53.45 3hqp n ASP 183 Cb 0.04 -4.57 -0.06 0.00 -1.04 0.00 0.00 41.12 35.49 3hqp n ASP 183 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3hqp s VAL 184 N -2.32 5.00 -1.15 5.18 -7.23 -1.26 -4.98 120.40 113.63 3hqp s VAL 184 Ca 0.27 1.19 -0.05 0.00 -1.81 0.00 0.00 61.98 61.58 3hqp s VAL 184 Cb -0.06 -3.91 0.12 0.00 0.56 0.00 0.00 36.38 33.08 3hqp s VAL 184 CO 0.79 0.37 2.44 -0.67 -0.31 0.00 0.00 175.10 177.72 3hqp n ASP 185 N 3.09 7.74 -4.82 4.85 2.03 -1.26 -4.97 116.55 123.22 3hqp n ASP 185 Ca -0.06 -3.17 -0.36 0.00 0.52 0.00 0.00 54.79 51.71 3hqp n ASP 185 Cb 0.51 -1.33 -0.07 0.00 -0.72 0.00 0.00 41.12 39.51 3hqp n ASP 185 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hqp s LEU 186 N -2.22 4.19 0.57 -2.67 1.43 -1.26 -5.08 118.68 113.64 3hqp s LEU 186 Ca 0.55 0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 53.81 3hqp s LEU 186 Cb 0.22 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3hqp s LEU 186 CO -0.12 0.38 1.27 -2.16 0.23 0.00 0.00 176.35 175.94 3hqp s PRO 187 N -0.84 3.08 0.11 1.29 0.04 -1.26 -4.92 135.00 132.49 3hqp s PRO 187 Ca 0.14 2.00 -0.22 0.00 0.04 0.00 0.00 61.00 62.96 3hqp s PRO 187 Cb -0.12 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 3hqp s PRO 187 CO 0.03 -1.17 1.72 0.00 0.04 0.00 0.00 177.00 177.63 3hqp h ALA 188 N 1.20 0.06 -3.30 8.56 0.00 -1.98 -3.38 119.26 120.42 3hqp h ALA 188 Ca -0.51 0.04 -0.54 0.00 0.00 0.00 0.00 54.91 53.90 3hqp h ALA 188 Cb 1.30 0.08 -0.38 0.00 0.00 0.00 0.00 17.79 18.79 3hqp h ALA 188 CO 0.56 -0.49 -0.79 0.54 0.00 0.00 0.00 179.25 179.07 3hqp s VAL 189 N -6.20 0.99 0.80 0.00 0.11 -1.26 -4.54 120.40 110.30 3hqp s VAL 189 Ca -0.13 -0.53 -0.12 0.00 -2.93 0.00 0.00 61.98 58.27 3hqp s VAL 189 Cb 0.08 -1.18 0.07 0.00 -1.53 0.00 0.00 36.38 33.83 3hqp s VAL 189 CO 0.67 0.13 1.13 -0.94 -3.33 0.00 0.00 175.10 172.76 3hqp s SER 190 N 1.69 4.55 0.31 3.54 1.04 -1.26 -4.84 113.70 118.73 3hqp s SER 190 Ca 0.01 1.04 -0.01 0.00 0.48 0.00 0.00 55.95 57.47 3hqp s SER 190 Cb -0.15 -1.69 0.50 0.00 0.10 0.00 0.00 66.02 64.78 3hqp s SER 190 CO -0.08 -1.90 1.98 0.00 0.98 0.00 0.00 173.24 174.23 3hqp h ALA 191 N -1.05 1.45 -0.60 5.32 0.00 -2.00 -0.69 119.26 121.69 3hqp h ALA 191 Ca -0.47 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.42 3hqp h ALA 191 Cb 1.29 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3hqp h ALA 191 CO 0.63 0.51 0.36 0.87 0.00 0.00 0.00 179.25 181.62 3hqp h LYS 192 N 1.05 0.67 -0.37 0.00 1.57 -2.00 -2.78 116.57 114.71 3hqp h LYS 192 Ca 0.28 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3hqp h LYS 192 Cb -0.12 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3hqp h LYS 192 CO -0.06 0.44 0.18 -0.44 -0.57 0.00 0.00 179.45 179.01 3hqp h ASP 193 N 0.69 0.48 -0.85 0.86 3.32 -1.55 -0.90 116.42 118.46 3hqp h ASP 193 Ca 0.25 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.22 3hqp h ASP 193 Cb 0.07 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.45 3hqp h ASP 193 CO -0.12 0.46 0.56 0.03 -1.72 0.00 0.00 179.24 178.45 3hqp h ARG 194 N 0.46 1.02 -0.23 3.56 3.08 -1.09 0.18 114.38 121.35 3hqp h ARG 194 Ca 0.13 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.94 3hqp h ARG 194 Cb 0.11 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3hqp h ARG 194 CO -0.02 0.67 -0.57 0.28 -1.07 0.00 0.00 179.97 179.26 3hqp h VAL 195 N 1.05 1.30 -0.39 2.04 2.07 -1.23 -1.77 116.25 119.31 3hqp h VAL 195 Ca 0.34 -1.79 -0.11 0.00 0.82 0.00 0.00 66.70 65.96 3hqp h VAL 195 Cb 0.06 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3hqp h VAL 195 CO -0.11 0.57 -0.20 0.44 0.02 0.00 0.00 177.57 178.29 3hqp h ASP 196 N 0.54 0.85 -0.07 0.57 3.32 -0.52 -2.40 116.42 118.71 3hqp h ASP 196 Ca 0.01 -0.41 -0.08 0.00 0.02 0.00 0.00 57.03 56.56 3hqp h ASP 196 Cb 1.15 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 3hqp h ASP 196 CO 0.12 1.08 -0.20 -0.07 -1.72 0.00 0.00 179.24 178.44 3hqp h LEU 197 N 0.63 0.46 -0.69 1.55 3.38 -0.68 -2.18 115.31 117.77 3hqp h LEU 197 Ca 0.08 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3hqp h LEU 197 Cb 0.76 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3hqp h LEU 197 CO 0.06 0.67 0.07 -0.61 0.09 0.00 0.00 178.44 178.73 3hqp h GLN 198 N 0.42 1.08 -0.66 1.13 5.75 -1.22 -2.37 115.11 119.24 3hqp h GLN 198 Ca 0.07 -0.30 -0.05 0.00 -0.15 0.00 0.00 58.65 58.22 3hqp h GLN 198 Cb 0.59 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 3hqp h GLN 198 CO 0.04 1.01 0.22 0.35 -2.65 0.00 0.00 178.83 177.80 3hqp h PHE 199 N 1.00 1.05 -0.71 3.99 3.57 -1.21 -2.36 116.94 122.27 3hqp h PHE 199 Ca 0.19 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3hqp h PHE 199 Cb 0.48 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 3hqp h PHE 199 CO 0.03 0.84 0.45 0.78 -2.23 0.00 0.00 178.31 178.19 3hqp h GLY 200 N 0.95 1.01 0.86 2.40 0.00 -1.13 -0.25 103.07 106.91 3hqp h GLY 200 Ca 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3hqp h GLY 200 CO -0.01 0.31 -0.14 -2.08 0.00 0.00 0.00 176.54 174.62 3hqp h VAL 201 N 0.90 0.74 -0.82 4.60 2.07 -1.33 -0.67 116.25 121.74 3hqp h VAL 201 Ca 0.27 -0.27 0.13 0.00 0.82 0.00 0.00 66.70 67.65 3hqp h VAL 201 Cb -0.03 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 3hqp h VAL 201 CO -0.09 0.06 0.43 -0.33 0.02 0.00 0.00 177.57 177.66 3hqp h GLU 202 N -0.54 0.64 -0.00 1.57 5.08 -1.26 -1.13 114.58 118.94 3hqp h GLU 202 Ca -0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3hqp h GLU 202 Cb 0.40 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3hqp h GLU 202 CO 0.07 0.42 -0.07 1.04 -1.00 0.00 0.00 179.01 179.47 3hqp n GLN 203 N -4.84 0.70 -3.28 2.33 1.13 -0.12 -4.96 117.38 108.34 3hqp n GLN 203 Ca 0.15 -0.18 -0.16 0.00 -1.94 0.00 0.00 57.00 54.87 3hqp n GLN 203 Cb 0.37 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.30 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 1.25 -0.26 3.76 1.08 0.00 -0.36 -5.01 105.19 105.64 3hqp n GLY 204 Ca 0.16 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.30 3.18 -0.07 1.61 -7.23 -0.59 -4.98 120.40 109.02 3hqp s VAL 205 Ca 0.15 0.43 0.12 0.00 -1.81 0.00 0.00 61.98 60.87 3hqp s VAL 205 Cb -0.06 -2.89 -0.23 0.00 0.56 0.00 0.00 36.38 33.75 3hqp s VAL 205 CO 0.62 -0.46 0.54 0.47 -0.31 0.00 0.00 175.10 175.96 3hqp n ASP 206 N -3.28 0.84 -3.70 4.85 8.00 -0.35 -4.85 116.55 118.06 3hqp n ASP 206 Ca 0.10 0.33 -0.14 0.00 0.71 0.00 0.00 54.79 55.78 3hqp n ASP 206 Cb 0.53 0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.59 3hqp n ASP 206 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hqp s MET 207 N -2.58 0.75 -0.17 -1.24 0.23 -1.15 -2.41 119.30 112.73 3hqp s MET 207 Ca -0.07 0.00 -0.07 0.00 -1.03 0.00 0.00 55.69 54.52 3hqp s MET 207 Cb 0.08 0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 33.68 3hqp s MET 207 CO 0.82 -0.21 0.08 0.42 -2.03 0.00 0.00 175.02 174.10 3hqp s ILE 208 N -1.14 4.93 -0.54 3.16 -1.09 0.71 -1.18 121.20 126.06 3hqp s ILE 208 Ca -0.12 0.01 -0.17 0.00 -2.23 0.00 0.00 60.65 58.14 3hqp s ILE 208 Cb -0.04 -3.20 0.10 0.00 -1.58 0.00 0.00 42.46 37.74 3hqp s ILE 208 CO 0.05 0.49 0.56 -0.36 -1.23 0.00 0.00 174.94 174.45 3hqp s PHE 209 N 0.07 3.15 -0.32 3.97 0.08 0.75 -0.56 117.98 125.11 3hqp s PHE 209 Ca 0.06 -1.00 -0.25 0.00 0.12 0.00 0.00 56.93 55.86 3hqp s PHE 209 Cb -0.12 -3.69 0.01 0.00 -0.57 0.00 0.00 43.02 38.65 3hqp s PHE 209 CO 0.00 -1.05 0.88 0.00 -0.10 0.00 0.00 175.22 174.95 3hqp s ALA 210 N 2.08 3.50 0.47 5.36 0.00 -0.11 -0.60 121.76 132.45 3hqp s ALA 210 Ca 0.07 -0.34 -0.20 0.00 0.00 0.00 0.00 51.96 51.49 3hqp s ALA 210 Cb -0.25 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.34 3hqp s ALA 210 CO 0.06 -1.35 1.00 -1.12 0.00 0.00 0.00 175.76 174.35 3hqp s SER 211 N 1.67 6.59 -1.22 0.00 0.01 -1.26 -0.62 113.70 118.86 3hqp s SER 211 Ca 0.36 1.81 -0.22 0.00 1.31 0.00 0.00 55.95 59.21 3hqp s SER 211 Cb -0.13 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.56 3hqp s SER 211 CO 0.14 -0.61 0.67 0.49 0.41 0.00 0.00 173.24 174.34 3hqp n PHE 212 N -0.88 -1.66 -2.64 2.43 3.72 -1.25 -4.47 117.46 112.72 3hqp n PHE 212 Ca 0.08 0.36 -0.43 0.00 -0.05 0.00 0.00 57.45 57.41 3hqp n PHE 212 Cb 0.53 -3.21 -0.02 0.00 -0.94 0.00 0.00 39.48 35.84 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 -3.60 4.62 -0.13 4.37 -1.09 -0.81 -4.64 121.20 119.92 3hqp s ILE 213 Ca 0.40 1.95 0.13 0.00 -2.23 0.00 0.00 60.65 60.90 3hqp s ILE 213 Cb -0.18 -4.30 -0.19 0.00 -1.58 0.00 0.00 42.46 36.21 3hqp s ILE 213 CO 0.91 -0.22 0.08 -2.11 -1.23 0.00 0.00 174.94 172.37 3hqp n ARG 214 N 6.43 1.47 -3.94 2.79 1.85 -1.26 -4.04 116.66 119.96 3hqp n ARG 214 Ca 0.12 -0.02 -0.10 0.00 -1.00 0.00 0.00 57.85 56.86 3hqp n ARG 214 Cb 0.46 -1.38 -0.06 0.00 -1.05 0.00 0.00 32.46 30.43 3hqp n ARG 214 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3hqp s SER 215 N -4.72 -0.01 0.25 2.89 1.04 -1.26 -3.98 113.70 107.91 3hqp s SER 215 Ca -0.07 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.53 3hqp s SER 215 Cb 0.05 0.47 0.31 0.00 0.10 0.00 0.00 66.02 66.95 3hqp s SER 215 CO 0.61 -0.93 1.66 0.00 0.98 0.00 0.00 173.24 175.56 3hqp h ALA 216 N 2.47 0.98 -0.66 5.32 0.00 -1.88 -3.09 119.26 122.40 3hqp h ALA 216 Ca -0.31 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 3hqp h ALA 216 Cb 1.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3hqp h ALA 216 CO 0.46 0.60 0.31 1.49 0.00 0.00 0.00 179.25 182.11 3hqp h GLU 217 N 0.46 0.95 -0.76 0.00 4.81 -1.96 -2.30 114.58 115.78 3hqp h GLU 217 Ca 0.06 -0.14 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3hqp h GLU 217 Cb 0.77 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.92 3hqp h GLU 217 CO 0.06 0.76 0.46 0.37 -0.73 0.00 0.00 179.01 179.93 3hqp h GLN 218 N 0.91 0.81 -0.86 1.92 4.15 -1.95 -1.79 115.11 118.30 3hqp h GLN 218 Ca 0.23 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 3hqp h GLN 218 Cb 0.13 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 3hqp h GLN 218 CO -0.03 0.54 0.48 0.28 -1.93 0.00 0.00 178.83 178.17 3hqp h VAL 219 N 0.84 1.25 -0.13 2.39 2.07 -1.39 -1.26 116.25 120.02 3hqp h VAL 219 Ca 0.33 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3hqp h VAL 219 Cb 0.16 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3hqp h VAL 219 CO -0.17 0.27 -0.20 1.23 0.02 0.00 0.00 177.57 178.73 3hqp h GLY 220 N 1.21 0.23 1.37 2.17 0.00 -0.84 -2.07 103.07 105.14 3hqp h GLY 220 Ca 0.30 -0.16 -0.24 0.00 0.00 0.00 0.00 47.33 47.23 3hqp h GLY 220 CO -0.05 0.15 -0.97 -0.55 0.00 0.00 0.00 176.54 175.12 3hqp h ASP 221 N 0.20 0.73 -0.84 0.19 3.32 -0.68 -1.12 116.42 118.22 3hqp h ASP 221 Ca 0.04 -0.57 -0.03 0.00 0.02 0.00 0.00 57.03 56.49 3hqp h ASP 221 Cb 0.47 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 3hqp h ASP 221 CO 0.03 1.37 0.42 0.58 -1.72 0.00 0.00 179.24 179.92 3hqp h VAL 222 N 0.33 1.26 -0.38 -1.35 2.07 -1.14 -0.04 116.25 116.99 3hqp h VAL 222 Ca -0.10 -0.71 -0.16 0.00 0.82 0.00 0.00 66.70 66.56 3hqp h VAL 222 Cb 1.61 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3hqp h VAL 222 CO 0.18 0.31 -0.37 -0.09 0.02 0.00 0.00 177.57 177.62 3hqp h ARG 223 N 1.20 0.92 -0.69 1.57 2.43 -1.34 -2.25 114.38 116.22 3hqp h ARG 223 Ca 0.29 -0.47 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 3hqp h ARG 223 Cb 0.10 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3hqp h ARG 223 CO -0.04 1.13 0.35 0.87 -1.51 0.00 0.00 179.97 180.77 3hqp h LYS 224 N 0.75 0.96 0.00 0.20 1.57 -0.96 -2.55 116.57 116.54 3hqp h LYS 224 Ca 0.06 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 3hqp h LYS 224 Cb 0.96 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3hqp h LYS 224 CO 0.09 0.73 -0.41 0.00 -0.57 0.00 0.00 179.45 179.28 3hqp h ALA 225 N 1.42 1.10 0.00 3.86 0.00 -0.84 -2.47 119.26 122.34 3hqp h ALA 225 Ca 0.24 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3hqp h ALA 225 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hqp h ALA 225 CO -0.04 0.52 -0.21 -0.07 0.00 0.00 0.00 179.25 179.45 3hqp h LEU 226 N 0.00 0.00 0.00 0.00 3.38 -1.01 -3.44 115.31 114.25 3hqp h LEU 226 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hqp h LEU 226 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3hqp h LEU 226 CO 0.05 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.41 3hqp n GLY 227 N 0.41 -1.41 0.19 0.83 0.00 -0.93 -2.19 105.19 102.08 3hqp n GLY 227 Ca 0.01 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 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 0.41 -0.11 1.61 0.11 -1.90 -2.97 132.00 129.16 3hqp h PRO 228 Ca 0.00 -0.29 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 3hqp h PRO 228 Cb 0.00 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3hqp h PRO 228 CO 0.00 0.90 -0.08 0.87 -0.21 0.00 0.00 178.00 179.47 3hqp h LYS 229 N 0.31 0.16 -0.58 1.05 1.79 -2.01 -3.09 116.57 114.20 3hqp h LYS 229 Ca -0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3hqp h LYS 229 Cb 1.14 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3hqp h LYS 229 CO 0.11 0.26 0.00 0.41 -1.08 0.00 0.00 179.45 179.14 3hqp n GLY 230 N -1.09 2.95 0.26 3.86 0.00 -0.93 -4.63 105.19 105.61 3hqp n GLY 230 Ca -0.01 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 3.76 0.01 -0.01 1.61 0.11 -1.45 -2.43 114.38 115.98 3hqp h ARG 231 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hqp h ARG 231 Cb 1.55 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.63 3hqp h ARG 231 CO 0.29 0.02 -0.15 -0.25 0.10 0.00 0.00 179.97 179.98 3hqp n ASP 232 N -4.52 1.07 -4.73 0.08 8.00 -1.26 -4.86 116.55 110.32 3hqp n ASP 232 Ca -0.03 -1.04 -0.41 0.00 0.71 0.00 0.00 54.79 54.02 3hqp n ASP 232 Cb 0.10 0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 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 -2.33 4.38 0.25 0.53 1.01 -0.92 -5.00 121.20 119.12 3hqp s ILE 233 Ca 0.30 1.97 -0.29 0.00 0.00 0.00 0.00 60.65 62.63 3hqp s ILE 233 Cb 0.20 -4.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 3hqp s ILE 233 CO 0.45 0.30 0.93 -0.04 0.00 0.00 0.00 174.94 176.58 3hqp s MET 234 N -0.00 4.78 -0.40 2.79 -1.94 -1.01 -4.91 119.30 118.61 3hqp s MET 234 Ca 0.48 1.43 -0.06 0.00 -1.71 0.00 0.00 55.69 55.83 3hqp s MET 234 Cb -0.25 -3.18 0.09 0.00 2.01 0.00 0.00 34.83 33.50 3hqp s MET 234 CO 0.31 0.47 0.21 0.42 -0.01 0.00 0.00 175.02 176.42 3hqp s ILE 235 N -1.27 3.74 -0.27 2.53 1.01 -1.26 -0.21 121.20 125.47 3hqp s ILE 235 Ca 0.43 -1.64 -0.20 0.00 0.00 0.00 0.00 60.65 59.24 3hqp s ILE 235 Cb -0.24 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 3hqp s ILE 235 CO 0.30 -0.53 0.60 -0.63 0.00 0.00 0.00 174.94 174.68 3hqp s ILE 236 N 1.30 4.99 -0.13 2.92 -1.09 0.27 -1.26 121.20 128.22 3hqp s ILE 236 Ca 0.04 1.01 -0.22 0.00 -2.23 0.00 0.00 60.65 59.25 3hqp s ILE 236 Cb -0.23 -3.93 -0.03 0.00 -1.58 0.00 0.00 42.46 36.70 3hqp s ILE 236 CO -0.01 -0.00 0.65 0.00 -1.23 0.00 0.00 174.94 174.35 3hqp s LYS 238 N 1.23 3.98 -0.34 0.00 1.02 0.21 -0.09 119.74 125.75 3hqp s LYS 238 Ca 0.33 0.38 -0.15 0.00 0.02 0.00 0.00 55.97 56.55 3hqp s LYS 238 Cb -0.17 -3.69 -0.01 0.00 -0.52 0.00 0.00 37.83 33.44 3hqp s LYS 238 CO 0.14 -0.50 0.34 0.42 -0.92 0.00 0.00 175.35 174.83 3hqp s ILE 239 N 2.54 5.19 0.00 2.17 -1.09 -0.17 -1.93 121.20 127.91 3hqp s ILE 239 Ca 0.25 -0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 3hqp s ILE 239 Cb -0.15 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 3hqp s ILE 239 CO 0.10 -0.07 0.36 -1.84 -1.23 0.00 0.00 174.94 172.26 3hqp n GLU 240 N 5.32 0.00 -4.25 2.79 0.28 -1.26 -2.02 120.64 121.50 3hqp n GLU 240 Ca -0.10 -0.28 -0.16 0.00 -0.16 0.00 0.00 57.16 56.46 3hqp n GLU 240 Cb 0.49 -0.22 -0.09 0.00 1.43 0.00 0.00 31.44 33.05 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 -0.12 1.01 0.17 -1.84 2.20 -1.26 -2.87 114.94 112.23 3hqp s ASN 241 Ca 0.00 -1.60 -0.15 0.00 -0.94 0.00 0.00 52.86 50.18 3hqp s ASN 241 Cb 0.00 0.48 0.06 0.00 -2.00 0.00 0.00 41.25 39.78 3hqp s ASN 241 CO 0.00 -0.96 1.83 -0.74 -2.94 0.00 0.00 177.10 174.28 3hqp h HIS 242 N 2.35 0.59 0.00 1.54 -0.00 -1.95 -2.74 115.15 114.93 3hqp h HIS 242 Ca -0.30 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 3hqp h HIS 242 Cb 1.24 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.45 3hqp h HIS 242 CO 1.11 0.36 -0.38 0.00 -0.00 0.00 0.00 177.93 179.02 3hqp n GLN 243 N -4.77 0.08 -0.15 5.26 10.64 -1.26 -2.07 117.38 125.12 3hqp n GLN 243 Ca 0.02 0.03 -0.10 0.00 -1.83 0.00 0.00 57.00 55.13 3hqp n GLN 243 Cb 0.03 -1.56 -0.01 0.00 -0.86 0.00 0.00 30.24 27.84 3hqp n GLN 243 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 3hqp h GLY 244 N 4.86 0.77 0.80 2.61 0.00 -1.62 -1.12 103.07 109.37 3hqp h GLY 244 Ca 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 3hqp h GLY 244 CO 0.00 0.48 -0.02 -2.08 0.00 0.00 0.00 176.54 174.92 3hqp h VAL 245 N 0.56 1.09 -0.97 4.60 2.07 -1.41 -2.74 116.25 119.46 3hqp h VAL 245 Ca 0.13 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.24 3hqp h VAL 245 Cb 0.40 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 3hqp h VAL 245 CO 0.01 0.11 0.63 1.56 0.02 0.00 0.00 177.57 179.90 3hqp h GLN 246 N -0.26 1.15 -0.66 1.57 4.20 -1.41 -2.47 115.11 117.23 3hqp h GLN 246 Ca -0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3hqp h GLN 246 Cb 0.23 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3hqp h GLN 246 CO 0.01 0.76 0.00 0.09 -0.67 0.00 0.00 178.83 179.02 3hqp n ASN 247 N -4.50 3.62 -0.25 1.46 3.02 -0.43 -4.71 115.26 113.48 3hqp n ASN 247 Ca 0.14 -2.42 0.05 0.00 -0.03 0.00 0.00 54.58 52.32 3hqp n ASN 247 Cb 0.13 -0.53 0.18 0.00 -0.61 0.00 0.00 39.78 38.95 3hqp n ASN 247 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3hqp h ILE 248 N 2.64 0.59 -0.45 2.41 6.09 -1.12 -1.45 117.51 126.23 3hqp h ILE 248 Ca 0.00 -0.12 0.02 0.00 -1.37 0.00 0.00 64.86 63.38 3hqp h ILE 248 Cb 1.22 0.20 -0.03 0.00 0.47 0.00 0.00 36.82 38.68 3hqp h ILE 248 CO 0.22 0.06 0.28 0.44 -3.07 0.00 0.00 178.15 176.08 3hqp h ASP 249 N 0.35 0.45 0.86 2.19 3.32 -1.86 0.94 116.42 122.68 3hqp h ASP 249 Ca 0.41 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.33 3hqp h ASP 249 Cb 0.67 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3hqp h ASP 249 CO -0.45 0.33 -0.62 0.77 -1.72 0.00 0.00 179.24 177.54 3hqp h SER 250 N 0.56 0.00 -0.15 6.45 4.64 -1.77 -2.51 113.55 120.77 3hqp h SER 250 Ca 0.18 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.44 3hqp h SER 250 Cb -0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3hqp h SER 250 CO -0.07 0.62 -0.14 0.40 -0.87 0.00 0.00 176.83 176.78 3hqp h ILE 251 N 0.00 1.34 -0.71 0.95 2.04 -0.95 -3.03 117.51 117.15 3hqp h ILE 251 Ca -0.01 -1.28 0.05 0.00 1.00 0.00 0.00 64.86 64.62 3hqp h ILE 251 Cb 1.22 1.86 -0.05 0.00 -0.74 0.00 0.00 36.82 39.11 3hqp h ILE 251 CO 0.08 0.38 0.42 0.40 0.00 0.00 0.00 178.15 179.43 3hqp h ILE 252 N -0.02 1.02 -0.53 -0.67 2.04 -0.75 0.21 117.51 118.81 3hqp h ILE 252 Ca 0.02 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.64 3hqp h ILE 252 Cb 0.66 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3hqp h ILE 252 CO 0.03 0.14 0.35 -0.08 0.00 0.00 0.00 178.15 178.60 3hqp h GLU 253 N 0.79 0.63 0.08 2.37 4.57 -1.50 -3.05 114.58 118.46 3hqp h GLU 253 Ca 0.31 -0.04 -0.31 0.00 -1.18 0.00 0.00 59.36 58.14 3hqp h GLU 253 Cb 0.13 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3hqp h GLU 253 CO -0.16 0.41 -1.66 0.93 -1.18 0.00 0.00 179.01 177.36 3hqp h GLU 254 N 0.65 0.17 -7.47 1.92 4.39 -1.17 -3.48 114.58 109.59 3hqp h GLU 254 Ca 0.21 -0.29 -0.46 0.00 0.34 0.00 0.00 59.36 59.16 3hqp h GLU 254 Cb 0.04 0.11 0.14 0.00 -0.10 0.00 0.00 28.75 28.94 3hqp h GLU 254 CO -0.05 0.96 0.28 -1.54 -1.16 0.00 0.00 179.01 177.49 3hqp s SER 255 N -6.73 3.31 0.00 1.42 1.04 0.65 -4.97 113.70 108.42 3hqp s SER 255 Ca -0.10 1.00 0.18 0.00 0.48 0.00 0.00 55.95 57.51 3hqp s SER 255 Cb 0.07 -1.59 0.27 0.00 0.10 0.00 0.00 66.02 64.87 3hqp s SER 255 CO 0.82 -2.68 1.20 0.47 0.98 0.00 0.00 173.24 174.04 3hqp n ASP 256 N -3.85 2.89 0.00 7.02 9.92 -0.38 -4.94 116.55 127.20 3hqp n ASP 256 Ca 0.06 -1.85 0.00 0.00 -0.53 0.00 0.00 54.79 52.47 3hqp n ASP 256 Cb 0.59 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 3hqp n ASP 256 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hqp n GLY 257 N 1.10 0.52 2.93 0.44 0.00 -1.21 -4.21 105.19 104.76 3hqp n GLY 257 Ca 0.14 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 3hqp n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hqp s ILE 258 N -2.00 0.22 -0.15 -0.61 -1.09 -0.51 -0.48 121.20 116.57 3hqp s ILE 258 Ca 0.00 -0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.19 3hqp s ILE 258 Cb 0.00 -0.21 -0.01 0.00 -1.58 0.00 0.00 42.46 40.66 3hqp s ILE 258 CO 0.00 -0.00 -0.11 -0.32 -1.23 0.00 0.00 174.94 173.27 3hqp s MET 259 N -0.24 3.39 -0.84 2.79 -2.45 0.87 -0.89 119.30 121.93 3hqp s MET 259 Ca -0.01 -0.67 -0.25 0.00 -1.25 0.00 0.00 55.69 53.51 3hqp s MET 259 Cb -0.02 -2.71 0.04 0.00 1.25 0.00 0.00 34.83 33.40 3hqp s MET 259 CO -0.00 0.14 1.31 0.08 1.05 0.00 0.00 175.02 177.60 3hqp s VAL 260 N 0.56 3.88 -1.25 10.11 1.01 -0.42 -1.00 120.40 133.29 3hqp s VAL 260 Ca -0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 3hqp s VAL 260 Cb -0.15 -4.95 0.16 0.00 0.00 0.00 0.00 36.38 31.44 3hqp s VAL 260 CO 0.03 -1.84 1.65 0.00 0.00 0.00 0.00 175.10 174.94 3hqp n ALA 261 N 8.95 4.50 0.30 5.51 0.00 -0.86 -2.87 120.51 136.04 3hqp n ALA 261 Ca 0.14 -4.24 0.16 0.00 0.00 0.00 0.00 53.44 49.50 3hqp n ALA 261 Cb 0.49 -3.07 0.94 0.00 0.00 0.00 0.00 19.45 17.81 3hqp n ALA 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqp h ARG 262 N 6.57 0.00 0.43 0.00 3.08 -1.83 -2.08 114.38 120.54 3hqp h ARG 262 Ca 0.36 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.39 3hqp h ARG 262 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3hqp h ARG 262 CO 1.43 0.02 -0.21 0.78 -1.07 0.00 0.00 179.97 180.92 3hqp h GLY 263 N 0.15 -0.60 1.28 0.04 0.00 -1.87 0.11 103.07 102.18 3hqp h GLY 263 Ca -0.00 0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.45 3hqp h GLY 263 CO 0.00 -0.22 -0.16 -0.55 0.00 0.00 0.00 176.54 175.62 3hqp h ASP 264 N -0.64 0.84 -0.61 0.19 3.32 -1.84 -3.11 116.42 114.58 3hqp h ASP 264 Ca -0.06 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 56.74 3hqp h ASP 264 Cb 0.44 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 3hqp h ASP 264 CO 0.10 0.99 0.37 0.25 -1.72 0.00 0.00 179.24 179.23 3hqp h LEU 265 N 0.74 0.61 0.00 1.55 6.46 -1.23 -1.02 115.31 122.42 3hqp h LEU 265 Ca 0.11 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 3hqp h LEU 265 Cb 0.67 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 3hqp h LEU 265 CO 0.05 0.43 0.00 0.61 -0.62 0.00 0.00 178.44 178.91 3hqp n GLY 266 N -1.27 -0.74 0.15 3.75 0.00 0.02 -0.68 105.19 106.42 3hqp n GLY 266 Ca 0.05 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.49 1.19 0.03 1.61 0.31 -0.93 -3.82 118.33 115.23 3hqp n VAL 267 Ca 0.02 -0.42 -0.02 0.00 -0.01 0.00 0.00 64.34 63.91 3hqp n VAL 267 Cb 0.09 -1.35 0.25 0.00 -0.91 0.00 0.00 33.84 31.91 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 -0.17 0.45 -5.98 5.55 4.57 -0.73 -3.43 114.58 114.84 3hqp h GLU 268 Ca -0.48 -0.14 -0.61 0.00 -1.18 0.00 0.00 59.36 56.94 3hqp h GLU 268 Cb 1.67 -0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 30.09 3hqp h GLU 268 CO -0.13 0.62 -0.68 0.96 -1.18 0.00 0.00 179.01 178.61 3hqp s ILE 269 N -4.62 2.35 0.31 2.32 -4.36 0.14 -4.74 121.20 112.60 3hqp s ILE 269 Ca -0.07 -2.18 -0.30 0.00 -0.26 0.00 0.00 60.65 57.85 3hqp s ILE 269 Cb 0.14 -2.64 -0.12 0.00 1.25 0.00 0.00 42.46 41.09 3hqp s ILE 269 CO 0.78 -0.22 1.51 -2.65 0.24 0.00 0.00 174.94 174.60 3hqp n PRO 270 N -0.81 2.54 -0.27 0.37 -0.02 -1.26 -4.51 135.00 131.05 3hqp n PRO 270 Ca -0.05 0.90 0.08 0.00 -2.02 0.00 0.00 63.50 62.41 3hqp n PRO 270 Cb 0.63 -2.63 0.22 0.00 -0.02 0.00 0.00 33.50 31.70 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 4.07 1.13 0.00 3.55 0.00 -1.91 -0.21 119.26 125.89 3hqp h ALA 271 Ca -0.47 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hqp h ALA 271 Cb 1.24 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3hqp h ALA 271 CO 0.74 -0.32 0.00 1.05 0.00 0.00 0.00 179.25 180.71 3hqp h GLU 272 N 0.33 0.00 0.00 0.00 9.09 -1.92 -2.58 114.58 119.50 3hqp h GLU 272 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.88 3hqp h GLU 272 Cb 0.82 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.92 3hqp h GLU 272 CO -0.51 0.00 -0.11 0.87 0.05 0.00 0.00 179.01 179.31 3hqp h LYS 273 N 0.00 0.00 -0.34 1.06 1.79 -1.39 -3.31 116.57 114.37 3hqp h LYS 273 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 3hqp h LYS 273 Cb 0.33 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 3hqp h LYS 273 CO 0.00 0.00 0.00 0.28 -1.08 0.00 0.00 179.45 178.65 3hqp h VAL 274 N 0.00 1.20 -0.01 0.50 2.07 -1.51 -1.66 116.25 116.83 3hqp h VAL 274 Ca 0.00 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.76 3hqp h VAL 274 Cb 0.87 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3hqp h VAL 274 CO 0.00 0.27 -0.13 0.58 0.02 0.00 0.00 177.57 178.31 3hqp h VAL 275 N 0.51 0.66 -0.20 2.57 2.07 -1.76 0.16 116.25 120.27 3hqp h VAL 275 Ca 0.11 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.48 3hqp h VAL 275 Cb 0.33 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3hqp h VAL 275 CO 0.01 0.00 -0.49 0.58 0.02 0.00 0.00 177.57 177.69 3hqp h VAL 276 N -0.22 1.32 -0.53 2.57 2.07 -1.75 -2.02 116.25 117.69 3hqp h VAL 276 Ca 0.05 -1.71 0.01 0.00 0.82 0.00 0.00 66.70 65.87 3hqp h VAL 276 Cb 0.29 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3hqp h VAL 276 CO -0.14 0.53 0.35 0.00 0.02 0.00 0.00 177.57 178.33 3hqp h ALA 277 N 1.05 0.68 -0.15 1.67 0.00 -1.00 -0.20 119.26 121.30 3hqp h ALA 277 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hqp h ALA 277 Cb 1.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3hqp h ALA 277 CO 0.09 0.10 0.08 0.37 0.00 0.00 0.00 179.25 179.89 3hqp h GLN 278 N 0.71 0.22 -0.52 0.00 4.15 -0.57 -0.48 115.11 118.61 3hqp h GLN 278 Ca 0.20 -0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.67 3hqp h GLN 278 Cb -0.07 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.52 3hqp h GLN 278 CO -0.05 0.26 0.14 0.87 -1.93 0.00 0.00 178.83 178.12 3hqp h LYS 279 N 0.13 0.28 -0.19 1.69 1.57 -1.16 -1.77 116.57 117.12 3hqp h LYS 279 Ca 0.05 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3hqp h LYS 279 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3hqp h LYS 279 CO -0.01 0.19 0.03 0.82 -0.57 0.00 0.00 179.45 179.91 3hqp h ILE 280 N 0.29 1.22 -0.23 1.86 2.04 -0.77 -2.57 117.51 119.35 3hqp h ILE 280 Ca 0.26 -0.72 -0.15 0.00 1.00 0.00 0.00 64.86 65.25 3hqp h ILE 280 Cb 0.34 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3hqp h ILE 280 CO -0.31 0.22 -0.47 -0.07 0.00 0.00 0.00 178.15 177.53 3hqp h LEU 281 N 0.11 0.64 0.16 1.44 3.38 -0.96 -1.62 115.31 118.47 3hqp h LEU 281 Ca 0.06 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3hqp h LEU 281 Cb 0.31 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3hqp h LEU 281 CO 0.00 1.01 -0.08 0.40 0.09 0.00 0.00 178.44 179.87 3hqp h ILE 282 N 0.48 0.97 -0.76 1.22 2.04 -1.38 -2.61 117.51 117.47 3hqp h ILE 282 Ca 0.03 -0.80 0.09 0.00 1.00 0.00 0.00 64.86 65.17 3hqp h ILE 282 Cb 0.99 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 38.46 3hqp h ILE 282 CO 0.09 0.18 0.42 0.28 0.00 0.00 0.00 178.15 179.12 3hqp h SER 283 N -0.62 0.60 -0.74 1.72 0.02 -1.45 0.36 113.55 113.44 3hqp h SER 283 Ca -0.02 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3hqp h SER 283 Cb 0.46 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 3hqp h SER 283 CO 0.04 0.35 0.35 0.11 -1.14 0.00 0.00 176.83 176.53 3hqp h LYS 284 N 0.73 1.07 -0.32 3.45 1.57 -1.33 -1.81 116.57 119.92 3hqp h LYS 284 Ca 0.36 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.85 3hqp h LYS 284 Cb 0.32 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3hqp h LYS 284 CO -0.24 0.84 -0.34 0.00 -0.57 0.00 0.00 179.45 179.15 3hqp h ASN 286 N 0.59 0.89 0.59 0.00 -0.26 -0.61 -0.20 115.58 116.58 3hqp h ASN 286 Ca 0.06 -0.02 -0.13 0.00 -0.56 0.00 0.00 56.30 55.65 3hqp h ASN 286 Cb 0.86 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.88 3hqp h ASN 286 CO 0.07 0.64 -0.61 0.58 -1.06 0.00 0.00 177.43 177.05 3hqp h VAL 287 N 1.04 1.43 0.00 2.81 2.07 -1.20 -3.06 116.25 119.34 3hqp h VAL 287 Ca 0.29 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.74 3hqp h VAL 287 Cb -0.10 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3hqp h VAL 287 CO -0.07 0.59 -0.55 0.00 0.02 0.00 0.00 177.57 177.57 3hqp n ALA 288 N -2.43 2.92 -2.13 1.67 0.00 -0.68 -4.94 120.51 114.91 3hqp n ALA 288 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.17 3hqp n ALA 288 Cb 0.61 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3hqp n ALA 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hqp n GLY 289 N 1.36 0.38 3.30 0.00 0.00 -0.19 -5.07 105.19 104.97 3hqp n GLY 289 Ca 0.04 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 3hqp n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqp s LYS 290 N -4.27 2.06 0.40 1.61 1.02 -0.60 -4.82 119.74 115.14 3hqp s LYS 290 Ca 0.01 -0.92 -0.27 0.00 0.02 0.00 0.00 55.97 54.81 3hqp s LYS 290 Cb -0.00 -2.00 -0.10 0.00 -0.52 0.00 0.00 37.83 35.20 3hqp s LYS 290 CO 0.01 0.55 1.46 -0.35 -0.92 0.00 0.00 175.35 176.10 3hqp n PRO 291 N 2.44 2.51 -4.45 -1.68 -0.04 -1.26 -4.38 135.00 128.14 3hqp n PRO 291 Ca -0.16 0.88 -0.21 0.00 -0.04 0.00 0.00 63.50 63.97 3hqp n PRO 291 Cb 0.51 -2.63 -0.16 0.00 -0.04 0.00 0.00 33.50 31.18 3hqp n PRO 291 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hqp s VAL 292 N -1.14 0.88 -0.13 0.52 0.11 -1.26 -1.43 120.40 117.95 3hqp s VAL 292 Ca 0.56 -0.40 -0.00 0.00 -2.93 0.00 0.00 61.98 59.21 3hqp s VAL 292 Cb -0.47 -0.78 -0.02 0.00 -1.53 0.00 0.00 36.38 33.57 3hqp s VAL 292 CO 0.62 0.27 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.91 3hqp s ILE 293 N 0.28 3.11 0.12 7.04 1.01 -0.07 -0.95 121.20 131.74 3hqp s ILE 293 Ca -0.05 -0.64 -0.17 0.00 0.00 0.00 0.00 60.65 59.79 3hqp s ILE 293 Cb -0.10 -2.31 -0.07 0.00 0.01 0.00 0.00 42.46 39.99 3hqp s ILE 293 CO 0.01 0.52 0.57 0.00 0.00 0.00 0.00 174.94 176.04 3hqp s ALA 295 N -1.31 -0.04 0.04 0.00 0.00 -1.14 -1.41 121.76 117.90 3hqp s ALA 295 Ca 0.34 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3hqp s ALA 295 Cb -0.17 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.31 3hqp s ALA 295 CO 0.19 -0.42 0.00 2.41 0.00 0.00 0.00 175.76 177.94 3hqp n THR 296 N 0.26 -3.47 -2.36 0.00 -1.04 -1.26 -3.88 114.28 102.53 3hqp n THR 296 Ca -0.16 0.52 -0.17 0.00 -2.04 0.00 0.00 64.05 62.20 3hqp n THR 296 Cb 0.61 -2.35 -0.01 0.00 -1.82 0.00 0.00 70.33 66.76 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 0.19 -1.55 0.08 -2.82 6.02 -1.26 -4.79 117.38 113.23 3hqp n GLN 297 Ca 0.00 0.84 -0.22 0.00 -0.01 0.00 0.00 57.00 57.61 3hqp n GLN 297 Cb 0.00 -5.31 -0.13 0.00 1.02 0.00 0.00 30.24 25.82 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 -0.07 0.62 -1.17 -1.09 2.86 -1.87 -3.33 114.93 110.87 3hqp h MET 298 Ca -0.42 -0.79 -0.44 0.00 -2.06 0.00 0.00 59.70 56.00 3hqp h MET 298 Cb 1.31 0.26 -0.41 0.00 0.06 0.00 0.00 31.60 32.81 3hqp h MET 298 CO 0.49 1.35 -1.04 1.28 1.06 0.00 0.00 176.91 180.05 3hqp n LEU 299 N -3.85 2.53 -0.15 1.22 4.77 -1.26 -4.56 117.00 115.70 3hqp n LEU 299 Ca -0.13 -4.21 -0.04 0.00 -0.03 0.00 0.00 56.01 51.59 3hqp n LEU 299 Cb 0.95 0.13 0.05 0.00 -2.33 0.00 0.00 43.42 42.22 3hqp n LEU 299 CO 0.57 1.79 0.98 -0.08 -1.33 0.00 0.00 177.39 179.31 3hqp h GLU 300 N 2.86 0.38 0.00 3.23 4.57 -1.97 -2.14 114.58 121.51 3hqp h GLU 300 Ca 0.03 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3hqp h GLU 300 Cb 1.09 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 3hqp h GLU 300 CO 0.62 0.25 0.00 -1.13 -1.18 0.00 0.00 179.01 177.57 3hqp n SER 301 N -4.96 0.36 -0.21 1.04 3.41 -1.26 -1.73 113.62 110.27 3hqp n SER 301 Ca 0.04 0.63 0.14 0.00 -0.26 0.00 0.00 58.87 59.42 3hqp n SER 301 Cb 0.16 -0.69 0.70 0.00 -0.26 0.00 0.00 64.21 64.11 3hqp n SER 301 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hqp n MET 302 N -1.95 1.28 0.23 4.33 2.81 -0.80 -0.85 117.12 122.18 3hqp n MET 302 Ca 0.01 -0.41 0.08 0.00 -1.81 0.00 0.00 57.70 55.56 3hqp n MET 302 Cb 0.10 -1.45 0.57 0.00 -0.71 0.00 0.00 33.22 31.73 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 0.96 0.89 0.00 2.03 2.02 -1.50 -3.35 112.91 113.96 3hqp h THR 303 Ca 0.00 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.45 3hqp h THR 303 Cb 0.21 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3hqp h THR 303 CO 0.00 0.19 -0.84 -1.22 0.37 0.00 0.00 175.52 174.02 3hqp n TYR 304 N -3.95 0.00 -4.00 3.16 4.02 -1.14 -0.81 117.16 114.43 3hqp n TYR 304 Ca -0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.57 3hqp n TYR 304 Cb 0.28 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.54 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 -2.58 5.86 0.30 7.72 -0.87 -0.03 -4.93 114.94 120.41 3hqp s ASN 305 Ca 0.00 0.09 0.26 0.00 -1.57 0.00 0.00 52.86 51.64 3hqp s ASN 305 Cb 0.00 -1.67 0.94 0.00 -0.02 0.00 0.00 41.25 40.50 3hqp s ASN 305 CO 0.00 0.16 1.76 1.55 -2.57 0.00 0.00 177.10 178.01 3hqp h PRO 306 N 3.14 0.00 -3.49 -0.60 0.13 -1.86 -3.37 132.00 125.94 3hqp h PRO 306 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.51 3hqp h PRO 306 Cb 1.16 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 3hqp h PRO 306 CO 0.69 0.00 -0.50 -0.98 -0.23 0.00 0.00 178.00 176.98 3hqp s ARG 307 N -3.30 0.42 0.72 0.86 1.70 -1.26 -4.86 118.95 113.23 3hqp s ARG 307 Ca 0.06 -0.28 -0.06 0.00 -0.47 0.00 0.00 55.73 54.97 3hqp s ARG 307 Cb 0.10 0.18 0.08 0.00 -0.57 0.00 0.00 34.95 34.73 3hqp s ARG 307 CO 0.50 -0.09 1.02 -1.25 -1.08 0.00 0.00 175.30 174.39 3hqp s PRO 308 N -1.10 2.01 0.75 3.89 0.04 -1.26 -4.75 135.00 134.57 3hqp s PRO 308 Ca -0.12 -0.42 -0.11 0.00 0.04 0.00 0.00 61.00 60.39 3hqp s PRO 308 Cb -0.06 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 32.33 3hqp s PRO 308 CO 0.01 -1.34 1.08 0.95 0.04 0.00 0.00 177.00 177.75 3hqp s THR 309 N -3.26 3.53 0.32 1.26 -4.23 -1.26 -4.95 115.64 107.05 3hqp s THR 309 Ca 0.62 0.50 0.02 0.00 -1.18 0.00 0.00 61.69 61.65 3hqp s THR 309 Cb -0.09 -3.25 0.16 0.00 1.34 0.00 0.00 72.50 70.66 3hqp s THR 309 CO 0.45 -0.65 1.87 0.03 -0.54 0.00 0.00 174.62 175.78 3hqp h ARG 310 N -0.90 0.66 -0.78 3.99 2.47 -2.00 -2.66 114.38 115.15 3hqp h ARG 310 Ca -0.45 -0.13 -0.04 0.00 -1.26 0.00 0.00 59.98 58.09 3hqp h ARG 310 Cb 1.24 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 29.42 3hqp h ARG 310 CO 0.58 0.62 0.33 0.00 0.56 0.00 0.00 179.97 182.06 3hqp h ALA 311 N 1.45 1.10 -0.28 0.04 0.00 -1.99 -2.09 119.26 117.49 3hqp h ALA 311 Ca 0.14 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3hqp h ALA 311 Cb 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hqp h ALA 311 CO 0.00 0.65 -0.18 0.93 0.00 0.00 0.00 179.25 180.65 3hqp h GLU 312 N 1.13 0.62 0.07 0.00 5.08 -1.74 0.11 114.58 119.85 3hqp h GLU 312 Ca 0.26 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3hqp h GLU 312 Cb 0.19 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 3hqp h GLU 312 CO -0.02 0.88 -0.28 0.28 -1.00 0.00 0.00 179.01 178.87 3hqp h VAL 313 N 0.36 0.39 -0.70 3.13 2.07 -1.44 -2.06 116.25 117.99 3hqp h VAL 313 Ca 0.06 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.69 3hqp h VAL 313 Cb 0.72 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 3hqp h VAL 313 CO 0.05 0.00 0.31 -1.28 0.02 0.00 0.00 177.57 176.67 3hqp h SER 314 N -0.46 0.34 -0.36 0.57 0.87 -1.26 -2.31 113.55 110.94 3hqp h SER 314 Ca 0.04 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 3hqp h SER 314 Cb 0.51 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 3hqp h SER 314 CO -0.19 0.18 0.16 -0.78 -0.53 0.00 0.00 176.83 175.66 3hqp h ASP 315 N 0.50 0.21 -0.11 6.23 3.58 -0.42 -2.11 116.42 124.31 3hqp h ASP 315 Ca 0.36 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.82 3hqp h ASP 315 Cb 0.46 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 3hqp h ASP 315 CO -0.33 0.16 -0.02 0.58 -2.88 0.00 0.00 179.24 176.76 3hqp h VAL 316 N 0.33 1.28 -0.24 2.25 2.07 -0.97 -2.39 116.25 118.57 3hqp h VAL 316 Ca 0.15 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.79 3hqp h VAL 316 Cb 0.09 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3hqp h VAL 316 CO -0.13 0.26 0.07 0.00 0.02 0.00 0.00 177.57 177.79 3hqp h ALA 317 N 0.71 0.26 0.00 1.67 0.00 -1.41 -2.32 119.26 118.17 3hqp h ALA 317 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hqp h ALA 317 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hqp h ALA 317 CO 0.01 -0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.01 3hqp n ASN 318 N -5.05 0.66 0.06 0.00 3.02 -0.80 -1.13 115.26 112.02 3hqp n ASN 318 Ca -0.02 0.69 -0.13 0.00 -0.03 0.00 0.00 54.58 55.10 3hqp n ASN 318 Cb 0.09 -0.82 -0.03 0.00 -0.61 0.00 0.00 39.78 38.41 3hqp n ASN 318 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hqp h ALA 319 N 2.19 0.41 -0.19 5.41 0.00 -0.88 -1.08 119.26 125.12 3hqp h ALA 319 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.15 3hqp h ALA 319 Cb 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hqp h ALA 319 CO 0.00 0.79 -0.20 0.28 0.00 0.00 0.00 179.25 180.12 3hqp h VAL 320 N 0.27 1.33 -0.95 0.00 2.07 -0.98 -1.49 116.25 116.50 3hqp h VAL 320 Ca -0.07 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 66.12 3hqp h VAL 320 Cb 1.50 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 33.00 3hqp h VAL 320 CO 0.15 0.41 0.62 -0.26 0.02 0.00 0.00 177.57 178.52 3hqp h PHE 321 N 0.14 1.17 -0.07 1.57 0.04 -1.26 -1.93 116.94 116.59 3hqp h PHE 321 Ca 0.03 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 3hqp h PHE 321 Cb 0.75 -0.39 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 3hqp h PHE 321 CO 0.08 0.67 -0.03 -0.91 -0.60 0.00 0.00 178.31 177.53 3hqp h ASN 322 N 1.21 0.08 0.00 2.17 -0.26 -1.10 -3.46 115.58 114.21 3hqp h ASN 322 Ca 0.38 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.11 3hqp h ASN 322 Cb -0.01 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 3hqp h ASN 322 CO -0.12 0.13 0.00 0.61 -1.06 0.00 0.00 177.43 176.99 3hqp n GLY 323 N -1.33 1.61 3.76 2.83 0.00 -0.73 -4.56 105.19 106.78 3hqp n GLY 323 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 3.65 0.07 4.61 0.00 -0.59 -4.91 121.76 122.59 3hqp s ALA 324 Ca 0.00 1.55 -0.15 0.00 0.00 0.00 0.00 51.96 53.36 3hqp s ALA 324 Cb 0.00 -3.62 -0.16 0.00 0.00 0.00 0.00 23.12 19.34 3hqp s ALA 324 CO 0.00 -0.99 1.28 -0.44 0.00 0.00 0.00 175.76 175.60 3hqp h ASP 325 N 3.91 0.79 -4.38 0.00 5.19 -1.36 -3.45 116.42 117.12 3hqp h ASP 325 Ca -0.49 -0.63 -0.44 0.00 -0.62 0.00 0.00 57.03 54.85 3hqp h ASP 325 Cb 1.23 -0.23 -0.23 0.00 0.18 0.00 0.00 39.33 40.28 3hqp h ASP 325 CO 0.71 1.29 -0.79 0.00 -3.12 0.00 0.00 179.24 177.33 3hqp s VAL 327 N -1.06 2.12 -0.00 0.00 -7.23 -0.16 -0.72 120.40 113.36 3hqp s VAL 327 Ca 0.00 -1.45 0.07 0.00 -1.81 0.00 0.00 61.98 58.80 3hqp s VAL 327 Cb -0.09 -1.83 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 3hqp s VAL 327 CO 0.02 0.30 -0.22 -0.32 -0.31 0.00 0.00 175.10 174.57 3hqp s MET 328 N -1.39 1.73 -0.14 4.82 1.75 -0.50 -1.58 119.30 123.99 3hqp s MET 328 Ca 0.12 -0.83 -0.03 0.00 -1.25 0.00 0.00 55.69 53.70 3hqp s MET 328 Cb -0.10 -1.71 -0.03 0.00 2.84 0.00 0.00 34.83 35.83 3hqp s MET 328 CO 0.03 0.46 -0.04 -0.51 -0.65 0.00 0.00 175.02 174.31 3hqp s LEU 329 N -0.66 3.25 0.00 4.11 1.43 -0.16 -4.17 118.68 122.47 3hqp s LEU 329 Ca 0.09 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3hqp s LEU 329 Cb -0.09 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.37 3hqp s LEU 329 CO -0.00 0.21 0.00 -1.20 0.23 0.00 0.00 176.35 175.59 3hqp n SER 330 N 3.27 0.00 0.29 2.29 7.64 -1.26 -1.96 113.62 123.89 3hqp n SER 330 Ca -0.18 0.00 0.17 0.00 1.01 0.00 0.00 58.87 59.88 3hqp n SER 330 Cb 0.53 0.00 0.91 0.00 -1.01 0.00 0.00 64.21 64.64 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 0.00 0.99 0.23 0.00 -1.96 0.26 103.07 102.58 3hqp h GLY 331 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hqp h GLY 331 CO 0.00 0.00 0.28 0.83 0.00 0.00 0.00 176.54 177.65 3hqp h GLU 332 N 0.00 0.64 0.00 4.80 3.07 -1.91 -2.10 114.58 119.08 3hqp h GLU 332 Ca 0.00 -0.06 -0.28 0.00 -0.50 0.00 0.00 59.36 58.52 3hqp h GLU 332 Cb 0.28 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 28.00 3hqp h GLU 332 CO 0.00 0.47 -2.22 0.25 -1.40 0.00 0.00 179.01 176.11 3hqp n THR 333 N -4.71 1.09 -0.07 1.13 -2.24 -0.66 -3.28 114.28 105.54 3hqp n THR 333 Ca 0.02 -0.77 -0.11 0.00 -2.27 0.00 0.00 64.05 60.91 3hqp n THR 333 Cb 0.06 -0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 67.83 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 1.24 0.29 0.00 6.98 0.00 -0.72 -3.34 119.26 123.71 3hqp h ALA 334 Ca -0.40 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 3hqp h ALA 334 Cb 1.93 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.57 3hqp h ALA 334 CO 0.03 -0.02 -0.53 0.36 0.00 0.00 0.00 179.25 179.09 3hqp n LYS 335 N -4.70 0.00 -1.90 0.00 2.85 -0.94 -2.03 118.16 111.44 3hqp n LYS 335 Ca -0.04 -1.05 -0.30 0.00 -1.05 0.00 0.00 58.31 55.87 3hqp n LYS 335 Cb 0.21 -0.32 0.06 0.00 -0.65 0.00 0.00 35.03 34.33 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 -1.05 1.62 0.27 2.58 0.00 -0.83 -4.89 107.32 105.01 3hqp s GLY 336 Ca 0.06 -0.45 0.16 0.00 0.00 0.00 0.00 44.72 44.49 3hqp s GLY 336 CO -0.03 -0.04 1.36 0.50 0.00 0.00 0.00 173.10 174.89 3hqp h LYS 337 N -0.78 0.00 -2.11 2.90 1.57 -1.21 -3.41 116.57 113.53 3hqp h LYS 337 Ca -0.45 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.79 3hqp h LYS 337 Cb 1.28 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.18 3hqp h LYS 337 CO 0.64 0.39 -0.89 0.66 -0.57 0.00 0.00 179.45 179.69 3hqp n TYR 338 N -3.14 2.38 0.05 -1.35 4.01 -1.26 -4.95 117.16 112.89 3hqp n TYR 338 Ca 0.01 -3.86 0.02 0.00 -0.16 0.00 0.00 57.90 53.90 3hqp n TYR 338 Cb 0.72 -0.44 0.38 0.00 -0.31 0.00 0.00 39.34 39.68 3hqp n TYR 338 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hqp h PRO 339 N 2.98 0.42 0.00 -0.72 0.13 -1.79 -2.10 132.00 130.91 3hqp h PRO 339 Ca 0.12 -0.07 -0.14 0.00 -0.87 0.00 0.00 66.00 65.04 3hqp h PRO 339 Cb 0.72 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 31.79 3hqp h PRO 339 CO 0.68 0.41 -0.55 -0.91 -0.23 0.00 0.00 178.00 177.41 3hqp h ASN 340 N 0.41 0.48 -0.52 1.44 2.35 -1.92 -3.18 115.58 114.64 3hqp h ASN 340 Ca 0.10 -0.77 -0.02 0.00 -0.55 0.00 0.00 56.30 55.06 3hqp h ASN 340 Cb 0.20 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3hqp h ASN 340 CO 0.00 1.19 0.25 -0.33 -1.65 0.00 0.00 177.43 176.88 3hqp h GLU 341 N -0.17 0.79 -0.23 0.81 3.07 -1.90 -1.25 114.58 115.70 3hqp h GLU 341 Ca -0.07 -0.11 -0.11 0.00 -0.50 0.00 0.00 59.36 58.58 3hqp h GLU 341 Cb 1.27 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 29.03 3hqp h GLU 341 CO 0.11 0.63 -0.28 -0.24 -1.40 0.00 0.00 179.01 177.82 3hqp h VAL 342 N 0.79 1.32 -0.60 3.13 3.04 -1.49 0.07 116.25 122.51 3hqp h VAL 342 Ca 0.19 -1.47 -0.02 0.00 -1.01 0.00 0.00 66.70 64.39 3hqp h VAL 342 Cb 0.12 1.74 -0.03 0.00 -2.01 0.00 0.00 31.29 31.10 3hqp h VAL 342 CO -0.02 0.46 0.29 0.58 -1.01 0.00 0.00 177.57 177.87 3hqp h VAL 343 N 0.29 1.21 -0.74 1.51 2.07 -1.51 -1.68 116.25 117.41 3hqp h VAL 343 Ca 0.03 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3hqp h VAL 343 Cb 0.86 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3hqp h VAL 343 CO 0.07 0.24 0.48 1.56 0.02 0.00 0.00 177.57 179.94 3hqp h GLN 344 N 0.82 0.98 -0.49 1.57 4.20 -1.14 -1.46 115.11 119.60 3hqp h GLN 344 Ca 0.21 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 3hqp h GLN 344 Cb 0.12 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3hqp h GLN 344 CO -0.03 0.67 0.16 1.88 -0.67 0.00 0.00 178.83 180.84 3hqp h TYR 345 N 1.00 0.78 -0.76 2.96 0.05 -0.83 -2.50 116.97 117.67 3hqp h TYR 345 Ca 0.27 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.95 3hqp h TYR 345 Cb -0.09 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.39 3hqp h TYR 345 CO -0.02 0.68 0.40 1.98 -1.05 0.00 0.00 178.16 180.15 3hqp h MET 346 N 0.65 1.08 -0.56 4.88 4.05 -1.00 -0.79 114.93 123.24 3hqp h MET 346 Ca 0.16 -0.14 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 3hqp h MET 346 Cb 0.26 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 3hqp h MET 346 CO -0.01 0.81 0.27 0.00 0.23 0.00 0.00 176.91 178.22 3hqp h ALA 347 N 1.20 0.73 -0.42 0.39 0.00 -1.25 -1.42 119.26 118.49 3hqp h ALA 347 Ca 0.27 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3hqp h ALA 347 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hqp h ALA 347 CO -0.04 0.29 -0.09 -0.09 0.00 0.00 0.00 179.25 179.33 3hqp h ARG 348 N 0.76 0.73 -0.12 0.00 2.43 -1.05 -0.69 114.38 116.44 3hqp h ARG 348 Ca 0.19 -0.22 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 3hqp h ARG 348 Cb 0.12 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3hqp h ARG 348 CO -0.02 0.80 -0.40 0.82 -1.51 0.00 0.00 179.97 179.66 3hqp h ILE 349 N 0.67 1.37 -0.99 1.20 2.04 -1.05 -2.36 117.51 118.39 3hqp h ILE 349 Ca 0.12 -1.71 0.05 0.00 1.00 0.00 0.00 64.86 64.31 3hqp h ILE 349 Cb 0.54 2.13 -0.06 0.00 -0.74 0.00 0.00 36.82 38.69 3hqp h ILE 349 CO 0.03 0.51 0.65 0.00 0.00 0.00 0.00 178.15 179.34 3hqp h LEU 351 N 1.22 0.63 -0.23 0.00 6.46 -1.12 -1.59 115.31 120.68 3hqp h LEU 351 Ca 0.40 -0.31 -0.10 0.00 -0.12 0.00 0.00 57.88 57.75 3hqp h LEU 351 Cb 0.06 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.81 3hqp h LEU 351 CO -0.14 1.01 -0.27 -0.08 -0.62 0.00 0.00 178.44 178.35 3hqp h GLU 352 N 0.46 0.58 -0.92 1.25 4.57 -0.93 -2.96 114.58 116.62 3hqp h GLU 352 Ca 0.02 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 57.88 3hqp h GLU 352 Cb 1.01 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.58 3hqp h GLU 352 CO 0.09 0.92 0.57 0.00 -1.18 0.00 0.00 179.01 179.41 3hqp h ALA 353 N 0.65 1.17 -0.53 2.92 0.00 -0.96 -2.16 119.26 120.35 3hqp h ALA 353 Ca 0.03 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3hqp h ALA 353 Cb 0.83 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3hqp h ALA 353 CO 0.06 0.61 0.35 0.37 0.00 0.00 0.00 179.25 180.64 3hqp h GLN 354 N 1.26 0.49 -0.89 0.00 4.15 -1.23 -0.27 115.11 118.62 3hqp h GLN 354 Ca 0.33 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.75 3hqp h GLN 354 Cb -0.08 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.45 3hqp h GLN 354 CO -0.06 0.32 0.58 0.77 -1.93 0.00 0.00 178.83 178.50 3hqp h SER 355 N 0.50 0.97 1.33 -0.69 0.02 -1.22 -3.05 113.55 111.40 3hqp h SER 355 Ca 0.22 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3hqp h SER 355 Cb 0.25 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 3hqp h SER 355 CO -0.06 0.67 -0.68 0.00 -1.14 0.00 0.00 176.83 175.62 3hqp h ALA 356 N 1.36 0.69 -2.70 3.77 0.00 -1.20 -3.46 119.26 117.72 3hqp h ALA 356 Ca 0.35 -0.15 -0.52 0.00 0.00 0.00 0.00 54.91 54.59 3hqp h ALA 356 Cb -0.03 0.03 0.06 0.00 0.00 0.00 0.00 17.79 17.85 3hqp h ALA 356 CO -0.11 0.17 0.92 -1.17 0.00 0.00 0.00 179.25 179.06 3hqp s LEU 357 N -5.79 4.36 -0.95 0.00 2.96 -0.24 -4.95 118.68 114.08 3hqp s LEU 357 Ca 0.02 2.82 -0.13 0.00 -0.22 0.00 0.00 54.13 56.62 3hqp s LEU 357 Cb 0.08 -3.61 0.23 0.00 0.50 0.00 0.00 46.19 43.38 3hqp s LEU 357 CO 0.75 -0.89 0.94 0.21 -1.32 0.00 0.00 176.35 176.04 3hqp s ASN 358 N 0.86 6.95 0.33 3.68 3.84 -1.26 -4.91 114.94 124.43 3hqp s ASN 358 Ca 0.68 -2.95 0.02 0.00 0.21 0.00 0.00 52.86 50.82 3hqp s ASN 358 Cb -0.47 -2.24 0.57 0.00 -0.55 0.00 0.00 41.25 38.57 3hqp s ASN 358 CO 0.38 -0.53 1.93 -0.33 -2.79 0.00 0.00 177.10 175.76 3hqp h GLU 359 N 7.47 0.74 -0.46 0.43 3.07 -1.92 -2.49 114.58 121.43 3hqp h GLU 359 Ca 0.15 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 3hqp h GLU 359 Cb 0.98 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 3hqp h GLU 359 CO 0.89 0.60 0.21 -0.92 -1.40 0.00 0.00 179.01 178.39 3hqp h TYR 360 N 0.74 0.67 -0.42 4.33 3.20 -1.91 0.16 116.97 123.74 3hqp h TYR 360 Ca 0.18 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 3hqp h TYR 360 Cb 0.12 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 3hqp h TYR 360 CO 0.01 0.55 0.24 0.28 -1.64 0.00 0.00 178.16 177.60 3hqp h VAL 361 N 0.59 1.15 -0.21 1.81 2.07 -1.91 -1.22 116.25 118.53 3hqp h VAL 361 Ca 0.15 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.37 3hqp h VAL 361 Cb 0.14 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 3hqp h VAL 361 CO -0.02 0.15 -0.19 0.15 0.02 0.00 0.00 177.57 177.69 3hqp h PHE 362 N 0.56 -0.48 -0.27 1.57 -0.00 -1.03 -0.50 116.94 116.79 3hqp h PHE 362 Ca 0.15 0.03 0.05 0.00 -0.00 0.00 0.00 57.97 58.20 3hqp h PHE 362 Cb 0.03 0.25 -0.05 0.00 -0.00 0.00 0.00 35.95 36.17 3hqp h PHE 362 CO -0.03 -0.26 -0.05 0.35 -0.00 0.00 0.00 178.31 178.32 3hqp h PHE 363 N -0.20 -0.11 -0.21 0.41 3.57 -0.42 -1.62 116.94 118.36 3hqp h PHE 363 Ca 0.12 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.53 3hqp h PHE 363 Cb 0.39 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3hqp h PHE 363 CO -0.33 -0.10 -0.37 -0.91 -2.23 0.00 0.00 178.31 174.37 3hqp h ASN 364 N 0.02 0.48 -0.28 0.41 2.35 -0.92 -2.09 115.58 115.55 3hqp h ASN 364 Ca 0.13 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 3hqp h ASN 364 Cb 0.19 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3hqp h ASN 364 CO -0.26 0.81 0.08 0.28 -1.65 0.00 0.00 177.43 176.70 3hqp h SER 365 N 0.39 0.41 -0.76 5.81 0.02 -0.83 -2.06 113.55 116.53 3hqp h SER 365 Ca 0.04 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 3hqp h SER 365 Cb 0.83 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 3hqp h SER 365 CO 0.07 0.51 0.31 0.40 -1.14 0.00 0.00 176.83 176.98 3hqp h ILE 366 N 0.29 1.25 -0.16 3.27 2.04 -1.20 -3.01 117.51 119.99 3hqp h ILE 366 Ca 0.09 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 3hqp h ILE 366 Cb 0.25 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3hqp h ILE 366 CO -0.00 0.33 0.06 0.50 0.00 0.00 0.00 178.15 179.04 3hqp h LYS 367 N 1.11 0.25 -0.01 2.37 3.64 -1.28 -3.01 116.57 119.64 3hqp h LYS 367 Ca 0.26 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3hqp h LYS 367 Cb 0.21 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3hqp h LYS 367 CO -0.02 0.34 0.02 0.87 -2.27 0.00 0.00 179.45 178.39 3hqp h LYS 368 N 0.10 0.00 -0.60 1.90 1.57 -1.28 -2.90 116.57 115.36 3hqp h LYS 368 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hqp h LYS 368 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3hqp h LYS 368 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 3hqp n LEU 369 N -3.57 5.16 -4.84 2.94 4.77 -1.14 -4.93 117.00 115.40 3hqp n LEU 369 Ca -0.03 -2.67 -0.36 0.00 -0.03 0.00 0.00 56.01 52.91 3hqp n LEU 369 Cb 0.10 -0.62 -0.07 0.00 -2.33 0.00 0.00 43.42 40.50 3hqp n LEU 369 CO 0.25 0.73 -0.19 -1.10 -1.33 0.00 0.00 177.39 175.75 3hqp s GLN 370 N -2.27 3.50 0.20 3.23 -1.52 -1.10 -5.05 119.66 116.66 3hqp s GLN 370 Ca 0.52 -0.17 -0.32 0.00 -1.95 0.00 0.00 55.36 53.44 3hqp s GLN 370 Cb 0.37 -3.18 -0.13 0.00 -0.22 0.00 0.00 33.01 29.85 3hqp s GLN 370 CO 0.20 0.70 1.65 1.58 -0.25 0.00 0.00 175.29 179.18 3hqp n HIS 371 N 2.23 2.59 -4.25 0.91 -0.00 -1.26 -4.99 115.22 110.45 3hqp n HIS 371 Ca -0.19 0.15 -0.34 0.00 -0.00 0.00 0.00 57.72 57.33 3hqp n HIS 371 Cb 0.54 -2.62 -0.10 0.00 -0.00 0.00 0.00 29.99 27.81 3hqp n HIS 371 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3hqp s ILE 372 N 0.93 4.37 0.41 3.57 1.01 -1.26 -3.51 121.20 126.73 3hqp s ILE 372 Ca 0.75 -0.20 -0.22 0.00 0.00 0.00 0.00 60.65 60.98 3hqp s ILE 372 Cb -0.56 -2.91 -0.11 0.00 0.01 0.00 0.00 42.46 38.89 3hqp s ILE 372 CO 0.36 0.53 0.95 -2.16 0.00 0.00 0.00 174.94 174.62 3hqp s PRO 373 N -0.10 4.28 0.67 2.79 0.04 -1.26 -5.18 135.00 136.23 3hqp s PRO 373 Ca 0.05 1.17 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 3hqp s PRO 373 Cb -0.13 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 3hqp s PRO 373 CO 0.02 0.01 1.06 -1.64 0.04 0.00 0.00 177.00 176.50 3hqp s MET 374 N -2.97 3.20 0.71 4.56 -1.94 -1.23 -5.08 119.30 116.54 3hqp s MET 374 Ca 0.60 0.59 -0.11 0.00 -1.71 0.00 0.00 55.69 55.06 3hqp s MET 374 Cb -0.11 -2.05 0.02 0.00 2.01 0.00 0.00 34.83 34.69 3hqp s MET 374 CO 0.15 -0.82 1.07 -1.54 -0.01 0.00 0.00 175.02 173.87 3hqp s SER 375 N -4.28 5.26 0.21 3.03 1.04 -1.26 -4.87 113.70 112.84 3hqp s SER 375 Ca 0.57 1.58 -0.09 0.00 0.48 0.00 0.00 55.95 58.49 3hqp s SER 375 Cb -0.11 -2.44 0.28 0.00 0.10 0.00 0.00 66.02 63.85 3hqp s SER 375 CO 0.53 -1.52 1.79 0.00 0.98 0.00 0.00 173.24 175.02 3hqp h ALA 376 N -0.77 0.90 -0.27 5.32 0.00 -1.98 -1.17 119.26 121.30 3hqp h ALA 376 Ca -0.44 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 3hqp h ALA 376 Cb 1.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3hqp h ALA 376 CO 0.57 -0.02 -0.35 0.38 0.00 0.00 0.00 179.25 179.83 3hqp h ASP 377 N 0.61 0.62 -0.18 0.00 2.03 -1.94 -1.46 116.42 116.11 3hqp h ASP 377 Ca 0.32 -0.26 -0.19 0.00 -0.73 0.00 0.00 57.03 56.17 3hqp h ASP 377 Cb 0.28 -0.17 0.01 0.00 -0.83 0.00 0.00 39.33 38.61 3hqp h ASP 377 CO -0.23 0.92 -0.61 -0.08 -1.03 0.00 0.00 179.24 178.22 3hqp h GLU 378 N 0.50 0.73 -0.67 4.15 4.81 -1.84 -2.74 114.58 119.52 3hqp h GLU 378 Ca 0.05 -0.55 0.02 0.00 -0.13 0.00 0.00 59.36 58.76 3hqp h GLU 378 Cb 0.85 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 3hqp h GLU 378 CO 0.07 1.16 0.43 0.00 -0.73 0.00 0.00 179.01 179.95 3hqp h ALA 379 N 0.57 0.87 -0.26 2.92 0.00 -1.10 -1.32 119.26 120.95 3hqp h ALA 379 Ca -0.03 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3hqp h ALA 379 Cb 1.24 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 3hqp h ALA 379 CO 0.13 0.22 -0.10 0.28 0.00 0.00 0.00 179.25 179.78 3hqp h VAL 380 N 0.86 0.67 -0.57 0.00 2.07 -1.29 0.13 116.25 118.11 3hqp h VAL 380 Ca 0.26 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.70 3hqp h VAL 380 Cb -0.03 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3hqp h VAL 380 CO -0.09 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.53 3hqp h SER 382 N 0.90 0.85 0.75 0.00 0.87 -1.07 -2.11 113.55 113.74 3hqp h SER 382 Ca 0.17 -0.42 -0.12 0.00 -1.23 0.00 0.00 61.79 60.20 3hqp h SER 382 Cb 0.49 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3hqp h SER 382 CO 0.02 1.08 -0.55 0.28 -0.53 0.00 0.00 176.83 177.13 3hqp h SER 383 N 0.61 0.00 -0.05 6.23 0.02 -0.59 -2.03 113.55 117.75 3hqp h SER 383 Ca 0.08 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3hqp h SER 383 Cb 0.77 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 3hqp h SER 383 CO 0.06 0.55 0.01 0.00 -1.14 0.00 0.00 176.83 176.32 3hqp h ALA 384 N 1.45 0.07 -0.75 3.77 0.00 -0.91 -1.96 119.26 120.93 3hqp h ALA 384 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3hqp h ALA 384 Cb 1.08 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3hqp h ALA 384 CO 0.07 -0.32 0.39 0.28 0.00 0.00 0.00 179.25 179.68 3hqp h VAL 385 N -0.13 1.23 -0.47 0.00 2.07 -1.33 -1.31 116.25 116.31 3hqp h VAL 385 Ca 0.02 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.03 3hqp h VAL 385 Cb 0.23 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.15 3hqp h VAL 385 CO -0.00 0.26 -0.06 -1.13 0.02 0.00 0.00 177.57 176.66 3hqp h ASN 386 N 1.06 -0.33 -0.91 0.57 -0.73 -1.25 -2.17 115.58 111.81 3hqp h ASN 386 Ca 0.26 0.13 0.07 0.00 1.87 0.00 0.00 56.30 58.63 3hqp h ASN 386 Cb 0.06 0.25 -0.06 0.00 0.27 0.00 0.00 38.32 38.84 3hqp h ASN 386 CO -0.04 -0.12 0.59 0.28 -0.37 0.00 0.00 177.43 177.77 3hqp h SER 387 N 0.05 0.90 -0.18 1.15 0.02 -0.46 -1.71 113.55 113.31 3hqp h SER 387 Ca 0.23 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.22 3hqp h SER 387 Cb 0.36 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3hqp h SER 387 CO -0.45 0.57 0.02 0.58 -1.14 0.00 0.00 176.83 176.42 3hqp h VAL 388 N 1.02 0.90 -0.47 2.27 2.07 -0.72 -1.26 116.25 120.06 3hqp h VAL 388 Ca 0.40 -0.03 -0.10 0.00 0.82 0.00 0.00 66.70 67.79 3hqp h VAL 388 Cb 0.22 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3hqp h VAL 388 CO -0.15 0.02 -0.10 1.88 0.02 0.00 0.00 177.57 179.24 3hqp h TYR 389 N 0.09 0.93 -0.12 1.57 0.05 -1.11 0.27 116.97 118.65 3hqp h TYR 389 Ca 0.08 -0.17 -0.13 0.00 0.05 0.00 0.00 58.73 58.56 3hqp h TYR 389 Cb 0.09 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 3hqp h TYR 389 CO -0.15 0.89 -0.51 0.93 -1.05 0.00 0.00 178.16 178.28 3hqp h GLU 390 N 0.76 0.34 -0.01 4.88 5.08 -1.14 -3.25 114.58 121.24 3hqp h GLU 390 Ca 0.13 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3hqp h GLU 390 Cb 0.60 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3hqp h GLU 390 CO 0.04 0.77 -0.66 0.25 -1.00 0.00 0.00 179.01 178.41 3hqp n THR 391 N -3.95 0.00 -3.76 1.13 -2.24 -0.49 -4.98 114.28 99.98 3hqp n THR 391 Ca -0.02 -0.17 -0.27 0.00 -2.27 0.00 0.00 64.05 61.32 3hqp n THR 391 Cb 0.56 1.09 0.05 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.87 -6.64 -1.73 -0.78 5.02 0.04 -4.92 118.16 108.28 3hqp n LYS 392 Ca 0.05 0.71 -0.40 0.00 -2.02 0.00 0.00 58.31 56.65 3hqp n LYS 392 Cb 0.33 -5.67 0.02 0.00 -0.02 0.00 0.00 35.03 29.69 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 -4.81 1.53 0.83 7.82 0.00 -0.90 -4.81 120.51 120.18 3hqp n ALA 393 Ca 0.01 0.21 0.10 0.00 0.00 0.00 0.00 53.44 53.76 3hqp n ALA 393 Cb 0.55 -2.32 0.07 0.00 0.00 0.00 0.00 19.45 17.75 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 -0.34 1.70 -3.53 0.00 5.02 -0.91 -4.76 118.16 115.34 3hqp n LYS 394 Ca 0.07 -1.53 -0.12 0.00 -2.02 0.00 0.00 58.31 54.72 3hqp n LYS 394 Cb 0.42 -1.38 -0.04 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.75 -1.84 0.08 7.82 0.00 -1.26 -4.22 121.76 120.60 3hqp s ALA 395 Ca 0.22 1.31 0.08 0.00 0.00 0.00 0.00 51.96 53.56 3hqp s ALA 395 Cb 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 3hqp s ALA 395 CO 0.29 -0.45 -0.18 -1.64 0.00 0.00 0.00 175.76 173.78 3hqp s MET 396 N -1.78 1.90 -0.10 0.00 -1.94 -0.82 -2.26 119.30 114.30 3hqp s MET 396 Ca -0.02 -1.09 0.04 0.00 -1.71 0.00 0.00 55.69 52.90 3hqp s MET 396 Cb -0.00 -2.14 0.00 0.00 2.01 0.00 0.00 34.83 34.70 3hqp s MET 396 CO 0.00 0.51 -0.22 0.08 -0.01 0.00 0.00 175.02 175.38 3hqp s VAL 397 N -1.03 1.92 -0.03 -6.03 1.01 -0.21 -0.29 120.40 115.74 3hqp s VAL 397 Ca 0.16 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.26 3hqp s VAL 397 Cb -0.10 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 3hqp s VAL 397 CO 0.08 0.53 -0.19 -0.69 0.00 0.00 0.00 175.10 174.82 3hqp s VAL 398 N 0.40 1.54 -0.34 2.92 1.01 -0.08 -0.34 120.40 125.52 3hqp s VAL 398 Ca -0.18 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 60.85 3hqp s VAL 398 Cb -0.18 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 3hqp s VAL 398 CO 0.08 0.44 0.28 -0.76 0.00 0.00 0.00 175.10 175.13 3hqp s LEU 399 N -0.27 4.47 -0.04 3.92 1.43 -0.93 -0.39 118.68 126.86 3hqp s LEU 399 Ca 0.03 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3hqp s LEU 399 Cb -0.09 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.96 3hqp s LEU 399 CO 0.01 -0.26 0.09 -0.55 0.23 0.00 0.00 176.35 175.86 3hqp s SER 400 N 1.73 0.03 -0.19 2.29 0.15 -1.12 -4.85 113.70 111.73 3hqp s SER 400 Ca 0.08 0.16 -0.02 0.00 0.70 0.00 0.00 55.95 56.87 3hqp s SER 400 Cb -0.17 0.05 -0.21 0.00 -1.71 0.00 0.00 66.02 63.98 3hqp s SER 400 CO 0.11 -0.14 0.05 0.59 1.20 0.00 0.00 173.24 175.05 3hqp n ASN 401 N 4.25 2.04 0.06 5.45 3.02 -1.26 -4.03 115.26 124.78 3hqp n ASN 401 Ca -0.26 0.03 0.12 0.00 -0.03 0.00 0.00 54.58 54.43 3hqp n ASN 401 Cb 0.51 -0.62 0.09 0.00 -0.61 0.00 0.00 39.78 39.16 3hqp n ASN 401 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hqp n THR 402 N -3.36 0.35 -0.01 3.41 -2.24 -1.26 -4.50 114.28 106.67 3hqp n THR 402 Ca -0.39 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3hqp n THR 402 Cb 1.02 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3hqp n THR 402 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hqp n GLY 403 N 1.32 0.40 0.44 3.38 0.00 -1.26 -4.94 105.19 104.52 3hqp n GLY 403 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 3.78 -0.85 -0.87 1.61 3.08 -1.93 -2.38 114.38 116.82 3hqp h ARG 404 Ca 0.00 0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.18 3hqp h ARG 404 Cb 0.00 0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 3hqp h ARG 404 CO 0.00 -0.57 0.56 0.77 -1.07 0.00 0.00 179.97 179.67 3hqp h SER 405 N -0.89 0.84 -0.55 7.04 0.02 -1.94 0.65 113.55 118.73 3hqp h SER 405 Ca -0.04 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 3hqp h SER 405 Cb 0.78 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 3hqp h SER 405 CO -0.06 0.53 0.01 0.00 -1.14 0.00 0.00 176.83 176.17 3hqp h ALA 406 N 1.54 0.74 -0.07 3.77 0.00 -1.86 0.03 119.26 123.40 3hqp h ALA 406 Ca 0.38 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3hqp h ALA 406 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hqp h ALA 406 CO -0.14 0.56 -0.55 0.00 0.00 0.00 0.00 179.25 179.11 3hqp h ARG 407 N 0.84 0.21 -0.26 0.00 3.08 -0.91 -2.15 114.38 115.20 3hqp h ARG 407 Ca 0.16 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 3hqp h ARG 407 Cb 0.53 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3hqp h ARG 407 CO 0.03 0.71 -0.37 1.25 -1.07 0.00 0.00 179.97 180.51 3hqp h LEU 408 N 0.16 0.61 -0.08 3.04 5.85 -0.39 -1.15 115.31 123.35 3hqp h LEU 408 Ca -0.00 -0.26 -0.20 0.00 0.84 0.00 0.00 57.88 58.26 3hqp h LEU 408 Cb 1.02 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.90 3hqp h LEU 408 CO 0.08 0.93 -0.72 0.58 -0.34 0.00 0.00 178.44 178.97 3hqp h VAL 409 N 0.49 1.33 0.00 1.05 2.07 -0.97 -3.26 116.25 116.95 3hqp h VAL 409 Ca 0.05 -2.00 -0.06 0.00 0.82 0.00 0.00 66.70 65.52 3hqp h VAL 409 Cb 0.87 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 3hqp h VAL 409 CO 0.07 0.61 -0.26 0.00 0.02 0.00 0.00 177.57 178.01 3hqp h ALA 410 N 0.46 1.52 -0.99 1.67 0.00 -1.34 -2.38 119.26 118.20 3hqp h ALA 410 Ca -0.07 -0.24 0.22 0.00 0.00 0.00 0.00 54.91 54.82 3hqp h ALA 410 Cb 1.37 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 3hqp h ALA 410 CO 0.15 0.33 0.58 -0.22 0.00 0.00 0.00 179.25 180.08 3hqp h LYS 411 N 0.00 0.62 -0.38 0.00 3.64 -1.25 -2.20 116.57 117.01 3hqp h LYS 411 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3hqp h LYS 411 Cb 0.48 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3hqp h LYS 411 CO 0.03 0.41 0.00 0.66 -2.27 0.00 0.00 179.45 178.28 3hqp n TYR 412 N -4.86 0.50 -3.58 1.91 4.01 -0.89 -4.97 117.16 109.28 3hqp n TYR 412 Ca 0.25 -0.25 -0.19 0.00 -0.16 0.00 0.00 57.90 57.55 3hqp n TYR 412 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 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 0.65 -1.52 -1.73 -0.72 5.12 -0.83 -4.40 116.66 113.24 3hqp n ARG 413 Ca 0.14 1.00 -0.32 0.00 -1.93 0.00 0.00 57.85 56.74 3hqp n ARG 413 Cb 0.34 -3.21 0.04 0.00 -1.16 0.00 0.00 32.46 28.48 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 -4.29 2.95 -0.27 5.56 0.04 -1.26 -4.54 135.00 133.20 3hqp s PRO 414 Ca 0.02 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.26 3hqp s PRO 414 Cb -0.00 -1.99 0.52 0.00 0.04 0.00 0.00 34.50 33.07 3hqp s PRO 414 CO 0.86 -1.10 1.56 0.27 0.04 0.00 0.00 177.00 178.63 3hqp n ASN 415 N -2.67 3.85 -4.25 6.66 6.94 -1.26 -4.86 115.26 119.67 3hqp n ASN 415 Ca 0.09 -2.97 -0.14 0.00 -0.02 0.00 0.00 54.58 51.54 3hqp n ASN 415 Cb 0.53 -0.70 -0.10 0.00 -2.36 0.00 0.00 39.78 37.15 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 -3.87 3.34 -0.20 0.00 0.02 -1.26 -4.86 135.00 128.17 3hqp s PRO 417 Ca 0.22 2.06 -0.06 0.00 0.02 0.00 0.00 61.00 63.24 3hqp s PRO 417 Cb 0.05 -2.29 -0.03 0.00 0.02 0.00 0.00 34.50 32.25 3hqp s PRO 417 CO 0.03 -0.98 0.04 0.42 -0.33 0.00 0.00 177.00 176.18 3hqp s ILE 418 N -1.40 4.39 -0.31 2.83 1.01 -0.74 -1.95 121.20 125.04 3hqp s ILE 418 Ca 0.69 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 61.08 3hqp s ILE 418 Cb -0.36 -2.99 -0.00 0.00 0.01 0.00 0.00 42.46 39.12 3hqp s ILE 418 CO 0.43 0.43 0.14 -0.69 0.00 0.00 0.00 174.94 175.24 3hqp s VAL 419 N 0.77 4.46 -0.22 2.92 1.01 0.60 -0.82 120.40 129.12 3hqp s VAL 419 Ca 0.02 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 3hqp s VAL 419 Cb -0.14 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3hqp s VAL 419 CO 0.02 0.07 0.30 0.00 0.00 0.00 0.00 175.10 175.49 3hqp s VAL 421 N 1.21 4.97 0.14 0.00 1.01 0.48 0.73 120.40 128.94 3hqp s VAL 421 Ca 0.14 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.72 3hqp s VAL 421 Cb -0.14 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3hqp s VAL 421 CO 0.06 -0.11 -0.22 0.28 0.00 0.00 0.00 175.10 175.11 3hqp s THR 422 N 1.65 1.99 -2.38 3.92 -1.32 -0.16 -2.77 115.64 116.58 3hqp s THR 422 Ca 0.05 -1.77 0.23 0.00 -1.21 0.00 0.00 61.69 58.99 3hqp s THR 422 Cb -0.18 -1.84 0.47 0.00 -1.51 0.00 0.00 72.50 69.45 3hqp s THR 422 CO 0.09 -0.09 1.43 0.35 -2.21 0.00 0.00 174.62 174.19 3hqp n THR 423 N 0.72 0.61 -4.53 5.08 -2.24 -1.26 -0.29 114.28 112.37 3hqp n THR 423 Ca -0.16 -0.80 -0.30 0.00 -2.27 0.00 0.00 64.05 60.51 3hqp n THR 423 Cb 0.55 0.89 -0.17 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.39 2.53 0.37 -0.78 0.52 -1.26 -4.74 118.95 114.20 3hqp s ARG 424 Ca 0.41 -0.67 0.13 0.00 -0.52 0.00 0.00 55.73 55.08 3hqp s ARG 424 Cb 0.23 -2.10 0.72 0.00 0.52 0.00 0.00 34.95 34.32 3hqp s ARG 424 CO 0.32 -0.05 1.82 1.25 0.02 0.00 0.00 175.30 178.66 3hqp h LEU 425 N 7.40 0.00 -0.59 2.53 5.85 -1.95 -2.68 115.31 125.87 3hqp h LEU 425 Ca -0.32 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 3hqp h LEU 425 Cb 1.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3hqp h LEU 425 CO 0.52 0.38 0.18 -0.61 -0.34 0.00 0.00 178.44 178.57 3hqp h GLN 426 N 0.00 0.91 -0.71 1.25 4.15 -1.97 -2.59 115.11 116.15 3hqp h GLN 426 Ca -0.00 -0.20 0.07 0.00 0.77 0.00 0.00 58.65 59.29 3hqp h GLN 426 Cb 0.68 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 28.18 3hqp h GLN 426 CO 0.05 0.82 0.40 1.15 -1.93 0.00 0.00 178.83 179.31 3hqp h THR 427 N 0.83 0.95 -0.33 2.39 2.02 -1.79 0.76 112.91 117.74 3hqp h THR 427 Ca 0.19 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.20 3hqp h THR 427 Cb 0.28 0.17 -0.08 0.00 -1.74 0.00 0.00 68.15 66.79 3hqp h THR 427 CO -0.01 0.13 -0.23 0.00 0.37 0.00 0.00 175.52 175.79 3hqp h ARG 429 N -0.19 0.14 -0.55 0.00 3.08 -0.88 -3.21 114.38 112.77 3hqp h ARG 429 Ca 0.17 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3hqp h ARG 429 Cb 0.45 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 3hqp h ARG 429 CO -0.44 0.25 0.29 1.96 -1.07 0.00 0.00 179.97 180.96 3hqp h GLN 430 N -0.00 0.76 0.00 0.04 4.20 0.74 -1.26 115.11 119.58 3hqp h GLN 430 Ca 0.03 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3hqp h GLN 430 Cb 0.16 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3hqp h GLN 430 CO -0.00 0.57 0.00 1.28 -0.67 0.00 0.00 178.83 180.01 3hqp n LEU 431 N -4.39 0.00 0.00 1.46 4.77 0.32 -2.88 117.00 116.28 3hqp n LEU 431 Ca 0.05 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.14 3hqp n LEU 431 Cb 0.11 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.70 3hqp n LEU 431 CO 0.37 0.00 0.87 0.59 -1.33 0.00 0.00 177.39 177.89 3hqp n ASN 432 N -0.80 0.00 -1.01 -1.43 3.02 -0.48 -2.30 115.26 112.27 3hqp n ASN 432 Ca 0.09 0.48 0.11 0.00 -0.03 0.00 0.00 54.58 55.22 3hqp n ASN 432 Cb 0.04 -0.49 0.16 0.00 -0.61 0.00 0.00 39.78 38.88 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 -1.49 0.30 -3.70 2.41 -5.35 -1.14 -4.74 119.36 105.65 3hqp n ILE 433 Ca 0.06 -0.65 -0.37 0.00 -0.27 0.00 0.00 62.75 61.52 3hqp n ILE 433 Cb 0.27 1.18 -0.12 0.00 -1.74 0.00 0.00 39.64 39.22 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 -1.60 4.60 0.34 7.28 2.01 -0.97 -4.54 115.64 122.75 3hqp s THR 434 Ca 0.32 -0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.94 3hqp s THR 434 Cb 0.20 -3.18 -0.12 0.00 0.01 0.00 0.00 72.50 69.42 3hqp s THR 434 CO 0.29 0.30 1.41 1.67 -0.69 0.00 0.00 174.62 177.60 3hqp n GLN 435 N 4.96 2.39 -1.01 4.92 0.00 -1.26 -3.58 117.38 123.80 3hqp n GLN 435 Ca -0.15 0.84 -0.00 0.00 -0.00 0.00 0.00 57.00 57.68 3hqp n GLN 435 Cb 0.51 -2.51 -0.00 0.00 0.00 0.00 0.00 30.24 28.25 3hqp n GLN 435 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hqp n GLY 436 N 0.96 0.38 3.45 1.69 0.00 0.19 -4.90 105.19 106.96 3hqp n GLY 436 Ca 0.05 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.73 2.90 -0.06 1.61 1.01 -1.24 -1.80 120.40 121.09 3hqp s VAL 437 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3hqp s VAL 437 Cb 0.00 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.27 3hqp s VAL 437 CO 0.00 0.59 -0.12 -1.61 0.00 0.00 0.00 175.10 173.95 3hqp s GLU 438 N -0.68 1.62 -0.08 2.72 2.02 -0.00 -4.94 118.70 119.36 3hqp s GLU 438 Ca 0.10 -0.42 -0.10 0.00 0.02 0.00 0.00 54.97 54.58 3hqp s GLU 438 Cb -0.11 -1.36 -0.05 0.00 0.10 0.00 0.00 34.13 32.72 3hqp s GLU 438 CO 0.00 0.06 0.24 -1.12 0.02 0.00 0.00 175.26 174.46 3hqp s SER 439 N 0.55 6.54 -0.16 -0.19 0.01 -1.26 -0.16 113.70 119.03 3hqp s SER 439 Ca -0.12 0.64 0.01 0.00 1.31 0.00 0.00 55.95 57.79 3hqp s SER 439 Cb -0.15 -2.14 0.01 0.00 0.21 0.00 0.00 66.02 63.96 3hqp s SER 439 CO 0.03 0.37 -0.18 -0.69 0.41 0.00 0.00 173.24 173.18 3hqp s VAL 440 N -1.00 2.34 0.06 3.43 1.01 0.22 -4.92 120.40 121.53 3hqp s VAL 440 Ca 0.18 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 3hqp s VAL 440 Cb -0.14 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 3hqp s VAL 440 CO 0.07 0.53 0.94 0.12 0.00 0.00 0.00 175.10 176.76 3hqp s PHE 441 N 1.00 3.74 -0.29 5.22 5.36 -1.26 -0.98 117.98 130.76 3hqp s PHE 441 Ca -0.02 1.71 0.03 0.00 -0.96 0.00 0.00 56.93 57.69 3hqp s PHE 441 Cb -0.15 -3.05 0.08 0.00 -0.34 0.00 0.00 43.02 39.56 3hqp s PHE 441 CO -0.05 0.12 -0.04 0.12 -1.46 0.00 0.00 175.22 173.92 3hqp s PHE 442 N 0.41 3.46 -0.96 10.12 5.36 0.60 -4.92 117.98 132.06 3hqp s PHE 442 Ca 0.48 -2.56 -0.24 0.00 -0.96 0.00 0.00 56.93 53.65 3hqp s PHE 442 Cb -0.22 -2.33 -0.01 0.00 -0.34 0.00 0.00 43.02 40.11 3hqp s PHE 442 CO 0.28 -0.90 1.77 0.34 -1.46 0.00 0.00 175.22 175.25 3hqp s ASP 443 N 1.05 5.64 0.61 6.13 -1.08 -1.26 -4.31 116.67 123.46 3hqp s ASP 443 Ca -0.01 -1.00 0.39 0.00 -0.52 0.00 0.00 52.55 51.41 3hqp s ASP 443 Cb -0.20 -2.56 1.97 0.00 -1.46 0.00 0.00 42.92 40.67 3hqp s ASP 443 CO -0.06 -2.30 2.21 0.00 0.52 0.00 0.00 175.17 175.55 3hqp h ALA 444 N 10.66 1.04 -0.32 3.66 0.00 -1.85 -0.40 119.26 132.05 3hqp h ALA 444 Ca 0.14 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3hqp h ALA 444 Cb 1.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3hqp h ALA 444 CO 1.29 0.02 -0.28 -0.44 0.00 0.00 0.00 179.25 179.83 3hqp h ASP 445 N 0.00 0.69 0.04 0.00 5.19 -1.86 -2.29 116.42 118.18 3hqp h ASP 445 Ca -0.00 -0.26 -0.38 0.00 -0.62 0.00 0.00 57.03 55.77 3hqp h ASP 445 Cb 0.20 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 39.46 3hqp h ASP 445 CO 0.00 0.94 -2.37 2.29 -3.12 0.00 0.00 179.24 176.98 3hqp n LYS 446 N -4.09 0.67 0.10 3.56 2.85 -1.03 -4.66 118.16 115.57 3hqp n LYS 446 Ca -0.01 0.12 0.08 0.00 -1.05 0.00 0.00 58.31 57.46 3hqp n LYS 446 Cb 0.45 -1.55 -0.00 0.00 -0.65 0.00 0.00 35.03 33.28 3hqp n LYS 446 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3hqp h LEU 447 N 0.01 0.00 0.00 -5.58 3.38 -1.19 -3.51 115.31 108.42 3hqp h LEU 447 Ca -0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3hqp h LEU 447 Cb 2.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.76 3hqp h LEU 447 CO -0.03 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.26 3hqp n GLY 448 N 1.23 2.19 0.11 0.83 0.00 -0.86 -4.80 105.19 103.89 3hqp n GLY 448 Ca -0.02 -2.04 0.12 0.00 0.00 0.00 0.00 46.02 44.09 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 0.79 -4.03 1.61 8.25 -1.26 -4.45 115.22 116.60 3hqp n HIS 449 Ca 0.00 0.28 -0.39 0.00 -0.26 0.00 0.00 57.72 57.35 3hqp n HIS 449 Cb 0.00 -0.95 -0.00 0.00 1.12 0.00 0.00 29.99 30.16 3hqp n HIS 449 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3hqp n ASP 450 N -2.19 -3.02 0.00 0.41 2.03 -1.26 -4.83 116.55 107.69 3hqp n ASP 450 Ca 0.03 -1.21 0.12 0.00 0.52 0.00 0.00 54.79 54.26 3hqp n ASP 450 Cb 0.30 -2.15 0.63 0.00 -0.72 0.00 0.00 41.12 39.18 3hqp n ASP 450 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3hqp n GLU 451 N -4.73 0.36 0.00 -0.67 0.28 -1.26 -1.82 120.64 112.79 3hqp n GLU 451 Ca -0.17 0.05 0.12 0.00 -0.16 0.00 0.00 57.16 57.00 3hqp n GLU 451 Cb 0.61 -1.50 0.31 0.00 1.43 0.00 0.00 31.44 32.29 3hqp n GLU 451 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3hqp n GLY 452 N 0.86 -1.24 4.04 -1.84 0.00 -1.26 -4.85 105.19 100.89 3hqp n GLY 452 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.43 0.00 -0.12 1.61 4.76 -0.76 -4.86 118.16 117.35 3hqp n LYS 453 Ca 0.06 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.43 3hqp n LYS 453 Cb 0.34 -2.70 0.01 0.00 -1.84 0.00 0.00 35.03 30.83 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 0.96 0.45 -0.34 1.97 5.08 -1.93 -1.15 114.58 119.62 3hqp h GLU 454 Ca 0.00 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3hqp h GLU 454 Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3hqp h GLU 454 CO 0.00 0.30 -0.12 0.45 -1.00 0.00 0.00 179.01 178.64 3hqp h HIS 455 N 0.46 0.78 -0.38 4.33 3.86 -1.91 -0.71 115.15 121.58 3hqp h HIS 455 Ca 0.16 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 3hqp h HIS 455 Cb 0.02 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 3hqp h HIS 455 CO -0.08 0.87 0.12 0.00 0.86 0.00 0.00 177.93 179.70 3hqp h ARG 456 N 0.47 0.59 -0.45 2.45 3.08 -1.89 -1.81 114.38 116.83 3hqp h ARG 456 Ca 0.08 -0.13 0.04 0.00 0.07 0.00 0.00 59.98 60.04 3hqp h ARG 456 Cb 0.63 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 3hqp h ARG 456 CO 0.04 0.60 0.22 0.28 -1.07 0.00 0.00 179.97 180.04 3hqp h VAL 457 N 0.46 0.96 -0.86 2.04 2.07 -1.14 -2.20 116.25 117.58 3hqp h VAL 457 Ca 0.12 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.55 3hqp h VAL 457 Cb 0.26 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 3hqp h VAL 457 CO -0.00 0.08 0.54 0.00 0.02 0.00 0.00 177.57 178.20 3hqp h ALA 458 N 1.24 1.17 -0.19 1.67 0.00 -0.91 -1.43 119.26 120.82 3hqp h ALA 458 Ca 0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3hqp h ALA 458 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3hqp h ALA 458 CO -0.14 0.30 -0.16 0.00 0.00 0.00 0.00 179.25 179.25 3hqp h ALA 459 N 1.39 1.38 -0.16 0.00 0.00 -1.02 -1.54 119.26 119.32 3hqp h ALA 459 Ca 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3hqp h ALA 459 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hqp h ALA 459 CO -0.16 0.43 0.08 0.78 0.00 0.00 0.00 179.25 180.37 3hqp h GLY 460 N 0.86 0.24 1.20 0.00 0.00 -0.66 -2.33 103.07 102.39 3hqp h GLY 460 Ca 0.05 -0.12 -0.20 0.00 0.00 0.00 0.00 47.33 47.07 3hqp h GLY 460 CO 0.03 0.11 -0.63 -2.08 0.00 0.00 0.00 176.54 173.98 3hqp h VAL 461 N 0.13 1.28 -0.55 4.60 2.07 -1.19 -1.61 116.25 120.97 3hqp h VAL 461 Ca 0.05 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 65.70 3hqp h VAL 461 Cb 0.11 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3hqp h VAL 461 CO -0.01 0.59 0.12 -0.08 0.02 0.00 0.00 177.57 178.21 3hqp h GLU 462 N 0.61 0.85 -0.19 1.57 4.57 -1.33 0.26 114.58 120.92 3hqp h GLU 462 Ca -0.01 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 3hqp h GLU 462 Cb 1.24 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 3hqp h GLU 462 CO 0.13 0.77 0.08 0.35 -1.18 0.00 0.00 179.01 179.17 3hqp h PHE 463 N 0.82 0.28 -0.91 0.92 3.57 -1.29 0.44 116.94 120.76 3hqp h PHE 463 Ca 0.18 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.71 3hqp h PHE 463 Cb 0.32 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 3hqp h PHE 463 CO 0.02 0.32 0.58 0.00 -2.23 0.00 0.00 178.31 177.00 3hqp h ALA 464 N 0.93 1.25 -0.10 2.41 0.00 -0.87 -1.09 119.26 121.79 3hqp h ALA 464 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3hqp h ALA 464 Cb 0.16 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hqp h ALA 464 CO -0.01 0.37 0.00 0.87 0.00 0.00 0.00 179.25 180.49 3hqp h LYS 465 N 1.08 0.17 0.00 0.00 1.79 -0.32 0.79 116.57 120.07 3hqp h LYS 465 Ca 0.39 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.79 3hqp h LYS 465 Cb 0.12 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3hqp h LYS 465 CO -0.16 0.42 -0.08 0.66 -1.08 0.00 0.00 179.45 179.21 3hqp h SER 466 N -0.11 0.00 0.56 0.86 4.64 -0.67 -0.32 113.55 118.52 3hqp h SER 466 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3hqp h SER 466 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3hqp h SER 466 CO 0.00 0.08 -0.32 0.29 -0.87 0.00 0.00 176.83 176.02 3hqp n LYS 467 N -3.39 0.18 -1.34 4.77 4.76 -0.43 -4.95 118.16 117.75 3hqp n LYS 467 Ca -0.01 -0.08 -0.05 0.00 -2.87 0.00 0.00 58.31 55.30 3hqp n LYS 467 Cb 0.25 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.92 3hqp n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hqp n GLY 468 N 1.46 0.62 0.16 0.72 0.00 -0.13 -4.94 105.19 103.08 3hqp n GLY 468 Ca 0.08 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 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 0.88 -3.97 1.61 0.05 -1.06 -3.46 116.97 111.02 3hqp h TYR 469 Ca -0.10 -0.52 -0.56 0.00 0.05 0.00 0.00 58.73 57.60 3hqp h TYR 469 Cb 0.47 -0.08 -0.22 0.00 1.01 0.00 0.00 36.73 37.90 3hqp h TYR 469 CO 0.13 1.37 -0.83 0.14 -1.05 0.00 0.00 178.16 177.92 3hqp s VAL 470 N -3.06 1.70 0.38 -2.88 -7.23 -1.16 -4.76 120.40 103.39 3hqp s VAL 470 Ca -0.11 -1.48 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 3hqp s VAL 470 Cb 0.05 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 3hqp s VAL 470 CO 0.89 -0.02 0.07 -1.10 -0.31 0.00 0.00 175.10 174.64 3hqp s GLN 471 N -1.78 1.83 0.11 4.82 -0.21 -1.26 -4.32 119.66 118.86 3hqp s GLN 471 Ca 0.06 -2.08 -0.36 0.00 0.02 0.00 0.00 55.36 53.01 3hqp s GLN 471 Cb -0.10 -0.94 -0.16 0.00 1.00 0.00 0.00 33.01 32.81 3hqp s GLN 471 CO 0.04 -0.29 1.30 2.41 -2.12 0.00 0.00 175.29 176.63 3hqp n THR 472 N -0.85 0.24 -0.23 -0.19 -1.04 -1.25 -1.89 114.28 109.06 3hqp n THR 472 Ca -0.06 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3hqp n THR 472 Cb 0.66 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 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 2.42 1.15 3.88 3.41 0.00 -0.34 -5.01 105.19 110.70 3hqp n GLY 473 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.00 5.74 -0.12 1.61 1.01 -0.79 -4.84 116.67 116.27 3hqp s ASP 474 Ca 0.00 1.19 -0.08 0.00 0.71 0.00 0.00 52.55 54.37 3hqp s ASP 474 Cb 0.00 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.79 3hqp s ASP 474 CO 0.00 -1.15 0.17 -0.31 0.21 0.00 0.00 175.17 174.10 3hqp s TYR 475 N -3.26 3.58 -0.10 4.23 2.02 -1.26 -1.37 117.35 121.20 3hqp s TYR 475 Ca 0.57 0.55 0.02 0.00 -0.37 0.00 0.00 57.07 57.84 3hqp s TYR 475 Cb -0.11 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.44 3hqp s TYR 475 CO 0.52 0.66 -0.17 0.00 -1.57 0.00 0.00 175.55 174.99 3hqp s VAL 477 N 0.77 5.24 -0.10 0.00 1.01 -0.96 -0.87 120.40 125.50 3hqp s VAL 477 Ca -0.11 0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.49 3hqp s VAL 477 Cb -0.16 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.56 3hqp s VAL 477 CO 0.02 0.29 -0.20 -0.69 0.00 0.00 0.00 175.10 174.51 3hqp s VAL 478 N 1.15 1.82 -0.15 2.92 1.01 0.10 -1.05 120.40 126.20 3hqp s VAL 478 Ca 0.16 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3hqp s VAL 478 Cb -0.14 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.64 3hqp s VAL 478 CO 0.07 0.51 -0.18 -0.63 0.00 0.00 0.00 175.10 174.86 3hqp s ILE 479 N 0.55 2.42 0.00 2.22 1.01 0.54 -1.39 121.20 126.55 3hqp s ILE 479 Ca -0.15 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.64 3hqp s ILE 479 Cb -0.17 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.30 3hqp s ILE 479 CO 0.05 0.53 0.00 0.00 0.00 0.00 0.00 174.94 175.52 3hqp n HIS 480 N 4.02 -0.13 -3.76 3.97 1.44 -0.94 -2.20 115.22 117.62 3hqp n HIS 480 Ca -0.19 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.31 3hqp n HIS 480 Cb 0.52 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.61 3hqp n HIS 480 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hqp s ALA 481 N -1.00 4.01 1.00 1.59 0.00 -1.26 -1.62 121.76 124.48 3hqp s ALA 481 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.57 3hqp s ALA 481 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.52 3hqp s ALA 481 CO 0.00 0.10 0.00 -0.40 0.00 0.00 0.00 175.76 175.46 3hqp n ASP 482 N -1.48 -0.35 0.17 0.00 5.68 -1.26 -4.89 116.55 114.42 3hqp n ASP 482 Ca -0.04 -0.60 0.02 0.00 -0.50 0.00 0.00 54.79 53.66 3hqp n ASP 482 Cb 0.58 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.85 3hqp n ASP 482 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 3hqp h HIS 483 N -1.01 0.00 0.03 2.11 -0.00 -1.97 -3.36 115.15 110.95 3hqp h HIS 483 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 60.37 59.99 3hqp h HIS 483 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.35 3hqp h HIS 483 CO 0.00 0.46 -2.35 1.17 -0.00 0.00 0.00 177.93 177.21 3hqp n LYS 484 N -3.88 0.68 -2.26 5.26 4.81 -1.26 -4.93 118.16 116.57 3hqp n LYS 484 Ca -0.01 0.17 -0.42 0.00 -0.87 0.00 0.00 58.31 57.18 3hqp n LYS 484 Cb 0.50 -1.57 -0.03 0.00 0.02 0.00 0.00 35.03 33.95 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 -2.53 3.83 -0.02 3.15 1.01 -1.26 -5.03 120.40 119.55 3hqp s VAL 485 Ca -0.31 1.18 0.06 0.00 0.00 0.00 0.00 61.98 62.91 3hqp s VAL 485 Cb 0.08 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3hqp s VAL 485 CO 0.65 -0.02 -0.18 -0.54 0.00 0.00 0.00 175.10 175.02 3hqp s LYS 486 N 2.56 2.29 0.00 2.72 -0.14 -1.26 -4.63 119.74 121.28 3hqp s LYS 486 Ca 0.62 -0.83 0.00 0.00 -1.36 0.00 0.00 55.97 54.41 3hqp s LYS 486 Cb -0.30 -2.25 0.00 0.00 -1.68 0.00 0.00 37.83 33.60 3hqp s LYS 486 CO 0.25 0.59 0.00 0.41 -0.76 0.00 0.00 175.35 175.84 3hqp n GLY 487 N 2.10 2.00 3.44 -3.33 0.00 -1.26 -5.04 105.19 103.09 3hqp n GLY 487 Ca -0.17 0.00 -0.10 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 -2.14 0.08 -0.19 1.61 -0.85 -1.26 -5.08 117.35 109.51 3hqp s TYR 488 Ca 0.00 -0.43 -0.26 0.00 -0.52 0.00 0.00 57.07 55.86 3hqp s TYR 488 Cb 0.00 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.54 3hqp s TYR 488 CO 0.00 -0.83 0.88 0.00 -1.52 0.00 0.00 175.55 174.09 3hqp s ALA 489 N -3.91 3.56 -0.49 9.51 0.00 -1.26 -4.49 121.76 124.69 3hqp s ALA 489 Ca 0.12 0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.21 3hqp s ALA 489 Cb 0.01 -3.32 0.21 0.00 0.00 0.00 0.00 23.12 20.02 3hqp s ALA 489 CO -0.02 -0.77 1.17 0.27 0.00 0.00 0.00 175.76 176.40 3hqp n ASN 490 N 5.56 2.63 -3.80 0.00 2.04 -1.08 -4.32 115.26 116.28 3hqp n ASN 490 Ca 0.06 -2.13 -0.13 0.00 -0.44 0.00 0.00 54.58 51.94 3hqp n ASN 490 Cb 0.48 -0.18 -0.14 0.00 -2.53 0.00 0.00 39.78 37.41 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 -1.24 0.07 0.02 -3.83 0.74 -0.64 -4.90 119.66 109.88 3hqp s GLN 491 Ca 0.17 0.21 0.08 0.00 0.05 0.00 0.00 55.36 55.86 3hqp s GLN 491 Cb 0.10 -0.08 -0.02 0.00 1.10 0.00 0.00 33.01 34.11 3hqp s GLN 491 CO 0.09 -0.09 -0.23 0.95 -0.55 0.00 0.00 175.29 175.46 3hqp s THR 492 N 0.59 1.81 0.12 -0.34 -4.23 -1.26 -2.21 115.64 110.13 3hqp s THR 492 Ca -0.05 -1.13 0.07 0.00 -1.18 0.00 0.00 61.69 59.41 3hqp s THR 492 Cb -0.06 -1.54 -0.04 0.00 1.34 0.00 0.00 72.50 72.20 3hqp s THR 492 CO -0.02 0.37 -0.18 0.00 -0.54 0.00 0.00 174.62 174.25 3hqp s ARG 493 N -0.90 1.10 -0.21 3.99 1.70 -0.48 -4.98 118.95 119.18 3hqp s ARG 493 Ca 0.09 -1.22 -0.05 0.00 -0.47 0.00 0.00 55.73 54.08 3hqp s ARG 493 Cb -0.09 -1.20 -0.02 0.00 -0.57 0.00 0.00 34.95 33.06 3hqp s ARG 493 CO 0.01 0.26 0.01 0.42 -1.08 0.00 0.00 175.30 174.91 3hqp s ILE 494 N -1.61 3.96 0.07 4.99 1.01 -1.26 -0.72 121.20 127.64 3hqp s ILE 494 Ca 0.08 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.50 3hqp s ILE 494 Cb -0.08 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 3hqp s ILE 494 CO 0.04 0.42 -0.20 -1.48 0.00 0.00 0.00 174.94 173.72 3hqp s LEU 495 N 1.09 2.24 -0.20 2.97 0.05 -0.05 -4.95 118.68 119.83 3hqp s LEU 495 Ca 0.02 -0.60 -0.26 0.00 0.05 0.00 0.00 54.13 53.35 3hqp s LEU 495 Cb -0.14 -0.86 -0.01 0.00 -2.05 0.00 0.00 46.19 43.12 3hqp s LEU 495 CO 0.02 0.08 0.86 -0.22 -0.55 0.00 0.00 176.35 176.54 3hqp s LEU 496 N -1.57 4.14 0.11 1.48 2.96 -1.26 -0.55 118.68 123.99 3hqp s LEU 496 Ca 0.06 1.17 -0.28 0.00 -0.22 0.00 0.00 54.13 54.85 3hqp s LEU 496 Cb -0.09 -3.27 -0.06 0.00 0.50 0.00 0.00 46.19 43.27 3hqp s LEU 496 CO 0.03 -0.47 0.89 0.68 -1.32 0.00 0.00 176.35 176.16 3hqp s VAL 497 N 2.49 4.50 -2.36 1.68 -7.23 -0.47 -4.94 120.40 114.07 3hqp s VAL 497 Ca 0.38 1.92 0.29 0.00 -1.81 0.00 0.00 61.98 62.77 3hqp s VAL 497 Cb -0.16 -4.25 0.65 0.00 0.56 0.00 0.00 36.38 33.18 3hqp s VAL 497 CO 0.10 0.37 1.88 -0.62 -0.31 0.00 0.00 175.10 176.52