#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 1.13 -0.57 4.33 5.75 -2.05 -1.81 115.11 121.89 3hqp h GLN 2 Ca 0.00 -0.21 -0.06 0.00 -0.15 0.00 0.00 58.65 58.23 3hqp h GLN 2 Cb 0.00 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.34 3hqp h GLN 2 CO 0.00 0.93 0.12 1.25 -2.65 0.00 0.00 178.83 178.48 3hqp h LEU 3 N 1.09 0.84 -0.42 -2.39 6.46 -2.07 -2.28 115.31 116.55 3hqp h LEU 3 Ca 0.25 -0.16 -0.18 0.00 -0.12 0.00 0.00 57.88 57.67 3hqp h LEU 3 Cb 0.23 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 3hqp h LEU 3 CO -0.02 0.83 -0.78 0.00 -0.62 0.00 0.00 178.44 177.85 3hqp h ALA 4 N 1.28 0.65 -0.30 1.25 0.00 -1.99 -3.21 119.26 116.94 3hqp h ALA 4 Ca 0.18 -0.66 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 3hqp h ALA 4 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hqp h ALA 4 CO 0.00 0.86 -0.25 1.25 0.00 0.00 0.00 179.25 181.11 3hqp h HIS 5 N 0.12 0.65 -0.28 0.00 -0.00 -1.06 -3.18 115.15 111.39 3hqp h HIS 5 Ca -0.03 -0.14 -0.04 0.00 -0.00 0.00 0.00 60.37 60.16 3hqp h HIS 5 Cb 1.36 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 28.60 3hqp h HIS 5 CO 0.02 0.78 -0.00 -0.91 -0.00 0.00 0.00 177.93 177.82 3hqp h ASN 6 N 0.51 0.39 0.21 3.26 2.35 -1.42 -2.88 115.58 118.00 3hqp h ASN 6 Ca 0.07 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 3hqp h ASN 6 Cb 0.70 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3hqp h ASN 6 CO 0.05 0.46 -0.45 -0.07 -1.65 0.00 0.00 177.43 175.77 3hqp h LEU 7 N 0.41 0.31 -0.22 1.61 3.38 -1.63 -2.89 115.31 116.27 3hqp h LEU 7 Ca 0.09 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hqp h LEU 7 Cb 0.28 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hqp h LEU 7 CO 0.01 0.72 0.00 0.35 0.09 0.00 0.00 178.44 179.61 3hqp n THR 8 N -3.99 0.64 -2.03 0.22 -2.24 -1.09 -4.85 114.28 100.93 3hqp n THR 8 Ca -0.02 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.35 3hqp n THR 8 Cb 0.51 -0.78 0.02 0.00 -2.10 0.00 0.00 70.33 67.99 3hqp n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hqp s LEU 9 N -4.35 3.56 -0.07 3.22 1.43 -1.09 -5.08 118.68 116.30 3hqp s LEU 9 Ca 0.09 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.09 3hqp s LEU 9 Cb 0.12 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.80 3hqp s LEU 9 CO 0.51 -1.35 0.27 -0.55 0.23 0.00 0.00 176.35 175.47 3hqp s SER 10 N -2.33 -0.23 0.45 2.29 0.15 -1.26 -5.05 113.70 107.72 3hqp s SER 10 Ca 0.68 0.37 0.29 0.00 0.70 0.00 0.00 55.95 57.99 3hqp s SER 10 Cb -0.20 0.48 0.97 0.00 -1.71 0.00 0.00 66.02 65.56 3hqp s SER 10 CO 0.34 -0.21 1.82 0.16 1.20 0.00 0.00 173.24 176.56 3hqp h ILE 11 N 4.45 0.00 -0.03 6.45 3.07 -2.01 -2.94 117.51 126.50 3hqp h ILE 11 Ca -0.27 -0.61 0.00 0.00 1.55 0.00 0.00 64.86 65.52 3hqp h ILE 11 Cb 1.19 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 39.31 3hqp h ILE 11 CO 0.35 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.94 3hqp n PHE 12 N -2.91 0.03 -2.37 0.16 3.72 -1.26 -4.86 117.46 109.97 3hqp n PHE 12 Ca 0.02 -0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3hqp n PHE 12 Cb 0.37 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 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 -1.91 6.98 0.72 4.37 1.01 -1.11 -5.00 116.67 121.73 3hqp s ASP 13 Ca 0.39 1.96 -0.16 0.00 0.71 0.00 0.00 52.55 55.45 3hqp s ASP 13 Cb 0.20 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.60 3hqp s ASP 13 CO 0.33 -0.62 1.24 -2.65 0.21 0.00 0.00 175.17 173.68 3hqp n PRO 14 N 5.06 0.71 -1.79 8.23 -0.02 -1.26 -5.02 135.00 140.91 3hqp n PRO 14 Ca 0.11 0.31 -0.30 0.00 -2.02 0.00 0.00 63.50 61.60 3hqp n PRO 14 Cb 0.45 -2.48 0.05 0.00 -0.02 0.00 0.00 33.50 31.50 3hqp n PRO 14 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hqp s VAL 15 N -1.70 3.69 0.62 -1.45 -7.23 -1.26 -4.96 120.40 108.10 3hqp s VAL 15 Ca 0.79 0.55 -0.17 0.00 -1.81 0.00 0.00 61.98 61.33 3hqp s VAL 15 Cb -0.34 -3.47 -0.02 0.00 0.56 0.00 0.00 36.38 33.10 3hqp s VAL 15 CO 0.45 -0.72 1.13 0.00 -0.31 0.00 0.00 175.10 175.66 3hqp s ALA 16 N -3.26 2.53 -2.00 1.32 0.00 -1.26 -4.92 121.76 114.17 3hqp s ALA 16 Ca 0.58 0.72 0.03 0.00 0.00 0.00 0.00 51.96 53.28 3hqp s ALA 16 Cb -0.12 -3.36 0.16 0.00 0.00 0.00 0.00 23.12 19.80 3hqp s ALA 16 CO 0.53 -1.13 0.95 0.27 0.00 0.00 0.00 175.76 176.39 3hqp n ASN 17 N -1.96 0.00 -3.66 0.00 2.04 -1.26 -4.74 115.26 105.69 3hqp n ASN 17 Ca 0.11 -1.60 -0.15 0.00 -0.44 0.00 0.00 54.58 52.50 3hqp n ASN 17 Cb 0.51 0.00 -0.08 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 -0.44 -0.26 -2.53 -0.85 -1.26 -5.02 117.35 104.99 3hqp s TYR 18 Ca 0.04 0.81 -0.10 0.00 -0.52 0.00 0.00 57.07 57.30 3hqp s TYR 18 Cb 0.02 0.24 -0.04 0.00 0.38 0.00 0.00 41.96 42.55 3hqp s TYR 18 CO 0.03 -0.45 0.14 0.50 -1.52 0.00 0.00 175.55 174.25 3hqp s ARG 19 N -0.97 3.90 -0.02 -3.49 3.52 -1.26 -5.00 118.95 115.62 3hqp s ARG 19 Ca -0.10 -0.35 -0.21 0.00 -0.13 0.00 0.00 55.73 54.94 3hqp s ARG 19 Cb -0.03 -3.52 -0.28 0.00 -1.56 0.00 0.00 34.95 29.56 3hqp s ARG 19 CO 0.06 -0.10 0.99 0.00 -0.81 0.00 0.00 175.30 175.44 3hqp h ALA 20 N 8.06 -0.02 -2.56 6.12 0.00 -1.95 -3.44 119.26 125.48 3hqp h ALA 20 Ca -0.36 -0.64 -0.51 0.00 0.00 0.00 0.00 54.91 53.39 3hqp h ALA 20 Cb 1.18 0.07 0.10 0.00 0.00 0.00 0.00 17.79 19.14 3hqp h ALA 20 CO 0.59 0.37 0.40 0.00 0.00 0.00 0.00 179.25 180.61 3hqp s ALA 21 N -2.80 2.50 0.09 0.00 0.00 -1.26 -0.36 121.76 119.94 3hqp s ALA 21 Ca -0.13 0.71 0.08 0.00 0.00 0.00 0.00 51.96 52.62 3hqp s ALA 21 Cb 0.02 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3hqp s ALA 21 CO 0.83 -1.19 -0.16 1.03 0.00 0.00 0.00 175.76 176.27 3hqp s ARG 22 N -3.76 1.96 -0.14 0.00 1.81 -0.60 -4.91 118.95 113.30 3hqp s ARG 22 Ca 0.70 -1.08 -0.01 0.00 -1.72 0.00 0.00 55.73 53.63 3hqp s ARG 22 Cb -0.23 -2.18 -0.02 0.00 -0.45 0.00 0.00 34.95 32.06 3hqp s ARG 22 CO 0.37 0.51 -0.10 0.42 -0.68 0.00 0.00 175.30 175.81 3hqp s ILE 23 N -1.09 3.26 -0.14 1.52 1.01 -1.26 -1.16 121.20 123.33 3hqp s ILE 23 Ca 0.18 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 3hqp s ILE 23 Cb -0.11 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 3hqp s ILE 23 CO 0.09 0.51 -0.04 -0.63 0.00 0.00 0.00 174.94 174.88 3hqp s ILE 24 N 0.45 3.92 -0.04 2.92 1.01 -0.50 -1.70 121.20 127.26 3hqp s ILE 24 Ca -0.08 -0.35 0.07 0.00 0.00 0.00 0.00 60.65 60.28 3hqp s ILE 24 Cb -0.15 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 3hqp s ILE 24 CO 0.04 0.51 -0.24 0.00 0.00 0.00 0.00 174.94 175.25 3hqp s THR 26 N -0.35 5.22 -0.20 0.00 -4.23 -0.90 -0.51 115.64 114.67 3hqp s THR 26 Ca 0.03 0.65 -0.15 0.00 -1.18 0.00 0.00 61.69 61.03 3hqp s THR 26 Cb -0.12 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 3hqp s THR 26 CO 0.01 0.50 0.38 -0.63 -0.54 0.00 0.00 174.62 174.34 3hqp s ILE 27 N -0.40 5.21 0.00 2.99 -1.09 -0.44 -2.79 121.20 124.68 3hqp s ILE 27 Ca 0.20 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.28 3hqp s ILE 27 Cb -0.15 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 3hqp s ILE 27 CO 0.08 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 3hqp n GLY 28 N 3.92 5.17 0.34 6.18 0.00 -1.25 -4.73 105.19 114.83 3hqp n GLY 28 Ca -0.09 -1.46 0.18 0.00 0.00 0.00 0.00 46.02 44.64 3hqp n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqp h PRO 29 N 0.00 0.00 0.00 1.61 0.11 -1.82 -0.26 132.00 131.64 3hqp h PRO 29 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 3hqp h PRO 29 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3hqp h PRO 29 CO 0.00 0.00 -0.93 0.77 -0.21 0.00 0.00 178.00 177.63 3hqp h SER 30 N 0.00 0.00 0.00 -2.05 0.02 -1.52 -3.40 113.55 106.59 3hqp h SER 30 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3hqp h SER 30 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3hqp h SER 30 CO -0.00 0.52 0.00 0.35 -1.14 0.00 0.00 176.83 176.56 3hqp n THR 31 N -3.06 0.37 0.09 -2.27 -2.24 -0.58 -4.82 114.28 101.77 3hqp n THR 31 Ca -0.03 -0.38 -0.07 0.00 -2.27 0.00 0.00 64.05 61.30 3hqp n THR 31 Cb 0.78 0.86 0.04 0.00 -2.10 0.00 0.00 70.33 69.91 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 0.17 -6.88 -0.78 4.15 -1.31 -3.33 115.11 107.13 3hqp h GLN 32 Ca 0.00 -0.16 -0.56 0.00 0.77 0.00 0.00 58.65 58.69 3hqp h GLN 32 Cb 0.77 0.04 0.14 0.00 0.21 0.00 0.00 27.48 28.64 3hqp h GLN 32 CO 0.00 0.86 0.40 -1.13 -1.93 0.00 0.00 178.83 177.03 3hqp n SER 33 N -3.72 2.00 -0.02 -0.69 3.41 -1.26 -4.81 113.62 108.53 3hqp n SER 33 Ca -0.03 0.98 0.05 0.00 -0.26 0.00 0.00 58.87 59.62 3hqp n SER 33 Cb 0.74 -1.48 0.43 0.00 -0.26 0.00 0.00 64.21 63.64 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 1.41 1.07 -0.18 -3.33 3.04 -1.88 -1.36 116.25 115.02 3hqp h VAL 34 Ca -0.49 -0.19 -0.00 0.00 -1.01 0.00 0.00 66.70 65.02 3hqp h VAL 34 Cb 1.32 0.48 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 3hqp h VAL 34 CO 0.56 0.10 0.10 -0.08 -1.01 0.00 0.00 177.57 177.25 3hqp h GLU 35 N 0.54 0.25 -0.18 4.17 4.57 -1.94 -2.13 114.58 119.86 3hqp h GLU 35 Ca 0.17 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.18 3hqp h GLU 35 Cb 0.03 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3hqp h GLU 35 CO -0.04 0.23 -0.51 0.00 -1.18 0.00 0.00 179.01 177.51 3hqp h ALA 36 N 1.01 0.78 -0.85 2.92 0.00 -1.75 -2.87 119.26 118.49 3hqp h ALA 36 Ca 0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3hqp h ALA 36 Cb 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3hqp h ALA 36 CO -0.01 0.67 0.43 -0.07 0.00 0.00 0.00 179.25 180.27 3hqp h LEU 37 N 0.40 1.10 -0.54 0.00 3.38 -1.20 -0.17 115.31 118.27 3hqp h LEU 37 Ca 0.02 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3hqp h LEU 37 Cb 1.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3hqp h LEU 37 CO 0.09 0.91 0.16 0.11 0.09 0.00 0.00 178.44 179.80 3hqp h LYS 38 N 1.20 0.84 -0.68 1.13 1.57 -1.30 -0.82 116.57 118.52 3hqp h LYS 38 Ca 0.30 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3hqp h LYS 38 Cb 0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3hqp h LYS 38 CO -0.04 0.78 0.38 0.78 -0.57 0.00 0.00 179.45 180.78 3hqp h GLY 39 N 0.75 1.00 0.99 3.86 0.00 -1.28 -1.04 103.07 107.35 3hqp h GLY 39 Ca 0.17 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 3hqp h GLY 39 CO -0.00 0.42 0.32 -2.00 0.00 0.00 0.00 176.54 175.28 3hqp h LEU 40 N 0.92 0.64 -0.31 3.11 5.85 -0.74 0.10 115.31 124.88 3hqp h LEU 40 Ca 0.24 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hqp h LEU 40 Cb 0.01 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3hqp h LEU 40 CO -0.04 0.51 0.18 0.40 -0.34 0.00 0.00 178.44 179.15 3hqp h ILE 41 N 0.71 1.12 0.00 4.05 2.04 -0.94 -1.32 117.51 123.17 3hqp h ILE 41 Ca 0.19 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 3hqp h ILE 41 Cb -0.01 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3hqp h ILE 41 CO -0.04 0.12 -0.22 1.56 0.00 0.00 0.00 178.15 179.57 3hqp h GLN 42 N 0.39 0.00 0.00 2.37 4.20 -0.88 -2.25 115.11 118.94 3hqp h GLN 42 Ca 0.11 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 3hqp h GLN 42 Cb 0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3hqp h GLN 42 CO -0.02 0.22 -0.32 0.77 -0.67 0.00 0.00 178.83 178.81 3hqp h SER 43 N 0.00 0.00 0.00 1.46 0.02 -0.40 -3.47 113.55 111.16 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 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3hqp h SER 43 CO 0.03 0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.65 3hqp n GLY 44 N 0.90 1.22 3.74 -3.77 0.00 -0.75 -3.77 105.19 102.75 3hqp n GLY 44 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3hqp n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hqp s MET 45 N 0.00 4.55 -0.11 1.61 0.00 -0.57 -4.34 119.30 120.44 3hqp s MET 45 Ca 0.00 1.18 0.08 0.00 0.00 0.00 0.00 55.69 56.95 3hqp s MET 45 Cb 0.00 -3.38 -0.12 0.00 0.00 0.00 0.00 34.83 31.33 3hqp s MET 45 CO 0.00 0.22 0.01 0.43 0.00 0.00 0.00 175.02 175.68 3hqp n SER 46 N 2.96 2.48 -4.04 1.11 7.64 -0.69 -4.65 113.62 118.43 3hqp n SER 46 Ca -0.00 -0.01 -0.22 0.00 1.01 0.00 0.00 58.87 59.64 3hqp n SER 46 Cb 0.50 0.59 -0.16 0.00 -1.01 0.00 0.00 64.21 64.13 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 -2.26 0.99 -0.23 0.44 1.01 -1.16 -2.00 120.40 117.19 3hqp s VAL 47 Ca -0.08 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 3hqp s VAL 47 Cb 0.03 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 3hqp s VAL 47 CO 0.41 0.30 0.14 0.00 0.00 0.00 0.00 175.10 175.95 3hqp s ALA 48 N 0.18 3.56 -0.19 5.51 0.00 0.05 -1.54 121.76 129.33 3hqp s ALA 48 Ca -0.04 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 3hqp s ALA 48 Cb -0.10 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 3hqp s ALA 48 CO 0.01 -0.15 0.09 0.50 0.00 0.00 0.00 175.76 176.21 3hqp s ARG 49 N 0.97 4.06 -0.27 0.00 3.52 0.34 -0.40 118.95 127.17 3hqp s ARG 49 Ca 0.07 -0.29 -0.06 0.00 -0.13 0.00 0.00 55.73 55.31 3hqp s ARG 49 Cb -0.13 -3.31 -0.00 0.00 -1.56 0.00 0.00 34.95 29.95 3hqp s ARG 49 CO 0.04 0.28 0.05 -1.64 -0.81 0.00 0.00 175.30 173.21 3hqp s MET 50 N 0.39 3.30 -0.60 5.12 -1.94 0.71 -1.33 119.30 124.95 3hqp s MET 50 Ca 0.05 -0.71 -0.20 0.00 -1.71 0.00 0.00 55.69 53.12 3hqp s MET 50 Cb -0.12 -3.27 0.08 0.00 2.01 0.00 0.00 34.83 33.53 3hqp s MET 50 CO -0.01 -0.32 0.79 1.21 -0.01 0.00 0.00 175.02 176.68 3hqp s ASN 51 N 1.52 6.19 0.00 3.03 2.47 -1.26 0.12 114.94 127.02 3hqp s ASN 51 Ca 0.04 -1.16 0.09 0.00 0.42 0.00 0.00 52.86 52.25 3hqp s ASN 51 Cb -0.16 -2.34 0.53 0.00 -1.45 0.00 0.00 41.25 37.83 3hqp s ASN 51 CO 0.01 -1.19 1.22 0.49 -3.72 0.00 0.00 177.10 173.91 3hqp n PHE 52 N 6.79 0.00 0.15 0.43 3.01 -0.24 -1.38 117.46 126.23 3hqp n PHE 52 Ca -0.07 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.42 3hqp n PHE 52 Cb 0.44 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 40.03 3hqp n PHE 52 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3hqp h SER 53 N 0.00 0.00 -1.83 4.37 0.02 -1.82 -3.43 113.55 110.86 3hqp h SER 53 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 3hqp h SER 53 Cb 0.00 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.42 3hqp h SER 53 CO 0.00 0.48 -0.61 -1.00 -1.14 0.00 0.00 176.83 174.56 3hqp s HIS 54 N -3.14 2.51 0.00 3.45 3.76 -0.48 -5.03 115.29 116.36 3hqp s HIS 54 Ca 0.03 -0.52 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 3hqp s HIS 54 Cb 0.09 -1.58 0.00 0.00 1.11 0.00 0.00 32.58 32.19 3hqp s HIS 54 CO 0.73 0.46 0.00 0.41 -0.85 0.00 0.00 174.74 175.49 3hqp n GLY 55 N -0.95 -0.29 3.32 -2.22 0.00 -1.26 -4.82 105.19 98.97 3hqp n GLY 55 Ca -0.04 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 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 0.96 0.45 1.61 1.04 -1.26 -4.98 113.70 107.51 3hqp s SER 56 Ca 0.00 -1.54 0.16 0.00 0.48 0.00 0.00 55.95 55.05 3hqp s SER 56 Cb 0.00 0.53 1.10 0.00 0.10 0.00 0.00 66.02 67.75 3hqp s SER 56 CO 0.00 -1.05 1.98 0.45 0.98 0.00 0.00 173.24 175.60 3hqp h HIS 57 N 2.28 0.36 -0.15 5.02 -0.00 -1.99 0.42 115.15 121.10 3hqp h HIS 57 Ca -0.29 0.01 -0.21 0.00 -0.00 0.00 0.00 60.37 59.88 3hqp h HIS 57 Cb 1.24 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.54 3hqp h HIS 57 CO 1.17 0.16 -0.74 1.49 -0.00 0.00 0.00 177.93 180.02 3hqp h GLU 58 N 0.33 0.69 -0.22 2.45 4.81 -1.99 -2.36 114.58 118.29 3hqp h GLU 58 Ca 0.28 -0.55 -0.06 0.00 -0.13 0.00 0.00 59.36 58.90 3hqp h GLU 58 Cb 0.67 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3hqp h GLU 58 CO -0.07 1.16 -0.11 -0.92 -0.73 0.00 0.00 179.01 178.34 3hqp h TYR 59 N 0.48 0.54 0.00 0.92 3.20 -1.58 -2.97 116.97 117.56 3hqp h TYR 59 Ca -0.04 -0.14 -0.05 0.00 3.14 0.00 0.00 58.73 61.65 3hqp h TYR 59 Cb 1.34 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 3hqp h TYR 59 CO 0.07 0.75 -0.23 0.45 -1.64 0.00 0.00 178.16 177.56 3hqp h HIS 60 N 0.17 0.00 -0.43 -3.82 3.86 -1.05 -2.46 115.15 111.43 3hqp h HIS 60 Ca 0.05 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 3hqp h HIS 60 Cb 0.61 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 3hqp h HIS 60 CO 0.06 0.23 -0.07 0.37 0.86 0.00 0.00 177.93 179.39 3hqp h GLN 61 N 0.00 0.74 -0.37 2.45 5.75 -1.42 0.21 115.11 122.47 3hqp h GLN 61 Ca -0.00 -0.22 -0.02 0.00 -0.15 0.00 0.00 58.65 58.26 3hqp h GLN 61 Cb 0.87 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.32 3hqp h GLN 61 CO 0.03 0.79 0.17 1.15 -2.65 0.00 0.00 178.83 178.32 3hqp h THR 62 N 0.68 1.18 -0.27 2.39 2.02 -1.29 -1.15 112.91 116.47 3hqp h THR 62 Ca 0.12 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 66.81 3hqp h THR 62 Cb 0.51 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3hqp h THR 62 CO 0.03 0.19 0.07 0.74 0.37 0.00 0.00 175.52 176.92 3hqp h THR 63 N 0.46 0.90 -0.09 3.16 2.02 -1.05 0.24 112.91 118.55 3hqp h THR 63 Ca 0.13 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.27 3hqp h THR 63 Cb 0.15 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 3hqp h THR 63 CO -0.01 0.03 -0.11 0.40 0.37 0.00 0.00 175.52 176.20 3hqp h ILE 64 N 0.18 0.71 -0.48 3.11 2.04 -0.39 -0.50 117.51 122.17 3hqp h ILE 64 Ca 0.12 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.90 3hqp h ILE 64 Cb 0.11 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3hqp h ILE 64 CO -0.14 0.00 -0.01 0.78 0.00 0.00 0.00 178.15 178.78 3hqp h ASN 65 N -0.14 0.85 -0.01 1.72 2.35 -1.06 -2.26 115.58 117.03 3hqp h ASN 65 Ca 0.07 -0.31 -0.13 0.00 -0.55 0.00 0.00 56.30 55.38 3hqp h ASN 65 Cb 0.24 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3hqp h ASN 65 CO -0.17 0.96 -0.41 0.78 -1.65 0.00 0.00 177.43 176.93 3hqp h ASN 66 N 0.72 0.56 -0.17 5.81 4.21 -0.84 -0.58 115.58 125.29 3hqp h ASN 66 Ca 0.14 -0.25 -0.01 0.00 1.21 0.00 0.00 56.30 57.38 3hqp h ASN 66 Cb 0.53 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.56 3hqp h ASN 66 CO 0.03 0.91 0.06 0.58 -1.29 0.00 0.00 177.43 177.71 3hqp h VAL 67 N 0.44 1.18 -0.11 2.81 2.07 -1.05 -0.99 116.25 120.60 3hqp h VAL 67 Ca 0.04 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 3hqp h VAL 67 Cb 0.90 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3hqp h VAL 67 CO 0.08 0.17 -0.29 0.03 0.02 0.00 0.00 177.57 177.58 3hqp h ARG 68 N 0.11 0.20 -0.09 1.57 3.08 -1.25 0.46 114.38 118.45 3hqp h ARG 68 Ca 0.06 -0.07 -0.24 0.00 0.07 0.00 0.00 59.98 59.80 3hqp h ARG 68 Cb 0.22 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.27 3hqp h ARG 68 CO -0.00 0.47 -0.89 0.37 -1.07 0.00 0.00 179.97 178.85 3hqp h GLN 69 N 0.17 0.76 -0.16 0.04 4.15 -1.07 -2.26 115.11 116.74 3hqp h GLN 69 Ca 0.03 -0.69 -0.02 0.00 0.77 0.00 0.00 58.65 58.73 3hqp h GLN 69 Cb 0.61 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 3hqp h GLN 69 CO 0.04 1.29 0.03 0.00 -1.93 0.00 0.00 178.83 178.26 3hqp h ALA 70 N 0.50 0.22 -0.63 3.38 0.00 -0.81 -1.86 119.26 120.05 3hqp h ALA 70 Ca -0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3hqp h ALA 70 Cb 1.53 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 3hqp h ALA 70 CO 0.18 -0.12 0.24 0.00 0.00 0.00 0.00 179.25 179.55 3hqp h ALA 71 N 0.82 0.82 -0.65 0.00 0.00 -1.02 -2.65 119.26 116.57 3hqp h ALA 71 Ca 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3hqp h ALA 71 Cb 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hqp h ALA 71 CO 0.00 0.45 0.26 0.00 0.00 0.00 0.00 179.25 179.95 3hqp h ALA 72 N 1.09 1.22 0.00 0.00 0.00 -1.35 0.96 119.26 121.19 3hqp h ALA 72 Ca 0.21 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3hqp h ALA 72 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hqp h ALA 72 CO -0.02 0.57 -0.50 0.93 0.00 0.00 0.00 179.25 180.23 3hqp h GLU 73 N 0.94 0.00 -0.01 0.00 5.08 -1.20 -3.03 114.58 116.37 3hqp h GLU 73 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3hqp h GLU 73 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hqp h GLU 73 CO -0.02 0.50 -0.48 1.28 -1.00 0.00 0.00 179.01 179.29 3hqp n LEU 74 N -3.66 1.50 -2.19 1.33 4.77 -1.01 -4.99 117.00 112.75 3hqp n LEU 74 Ca -0.01 -0.53 -0.16 0.00 -0.03 0.00 0.00 56.01 55.29 3hqp n LEU 74 Cb 0.57 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.63 3hqp n LEU 74 CO 0.39 0.29 0.01 0.61 -1.33 0.00 0.00 177.39 177.36 3hqp n GLY 75 N 1.41 -0.15 3.67 -0.72 0.00 0.26 -5.03 105.19 104.62 3hqp n GLY 75 Ca 0.09 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.99 1.70 -0.27 1.61 -7.23 -0.75 -5.04 120.40 107.43 3hqp s VAL 76 Ca 0.22 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.36 3hqp s VAL 76 Cb -0.10 -2.71 0.02 0.00 0.56 0.00 0.00 36.38 34.16 3hqp s VAL 76 CO 0.27 0.00 -0.02 0.20 -0.31 0.00 0.00 175.10 175.24 3hqp s ASN 77 N -3.77 4.59 -0.14 4.85 0.01 -1.26 -4.47 114.94 114.75 3hqp s ASN 77 Ca 0.25 -0.87 -0.01 0.00 -0.71 0.00 0.00 52.86 51.51 3hqp s ASN 77 Cb 0.07 -1.73 -0.02 0.00 0.41 0.00 0.00 41.25 39.99 3hqp s ASN 77 CO 0.13 -0.16 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.82 3hqp s ILE 78 N 1.36 3.23 0.29 0.60 -1.09 -1.26 -4.74 121.20 119.59 3hqp s ILE 78 Ca 0.00 -0.59 -0.29 0.00 -2.23 0.00 0.00 60.65 57.54 3hqp s ILE 78 Cb -0.17 -2.38 -0.09 0.00 -1.58 0.00 0.00 42.46 38.24 3hqp s ILE 78 CO -0.02 0.51 1.05 0.00 -1.23 0.00 0.00 174.94 175.25 3hqp s ALA 79 N 0.44 3.34 -0.18 9.38 0.00 -0.85 -4.91 121.76 128.97 3hqp s ALA 79 Ca -0.08 0.79 -0.05 0.00 0.00 0.00 0.00 51.96 52.61 3hqp s ALA 79 Cb -0.15 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3hqp s ALA 79 CO 0.04 -0.07 0.01 0.42 0.00 0.00 0.00 175.76 176.17 3hqp s ILE 80 N -1.26 4.21 -0.07 0.00 1.01 -1.26 -0.77 121.20 123.06 3hqp s ILE 80 Ca 0.46 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.92 3hqp s ILE 80 Cb -0.29 -2.89 -0.00 0.00 0.01 0.00 0.00 42.46 39.29 3hqp s ILE 80 CO 0.36 0.45 -0.23 0.00 0.00 0.00 0.00 174.94 175.53 3hqp s ALA 81 N 0.62 2.03 -0.40 9.38 0.00 0.46 -1.84 121.76 132.02 3hqp s ALA 81 Ca 0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 3hqp s ALA 81 Cb -0.14 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.32 3hqp s ALA 81 CO 0.02 0.33 0.25 -1.17 0.00 0.00 0.00 175.76 175.20 3hqp s LEU 82 N 0.10 4.96 -0.26 0.00 0.20 -0.89 -0.21 118.68 122.57 3hqp s LEU 82 Ca -0.10 -1.09 -0.24 0.00 0.69 0.00 0.00 54.13 53.39 3hqp s LEU 82 Cb -0.15 -2.06 -0.00 0.00 -0.43 0.00 0.00 46.19 43.54 3hqp s LEU 82 CO 0.05 -0.45 0.82 -0.62 -0.29 0.00 0.00 176.35 175.87 3hqp s ASP 83 N 1.77 6.79 0.82 3.68 -1.08 0.12 -0.82 116.67 127.94 3hqp s ASP 83 Ca 0.03 0.94 -0.12 0.00 -0.52 0.00 0.00 52.55 52.88 3hqp s ASP 83 Cb -0.20 -2.43 0.08 0.00 -1.46 0.00 0.00 42.92 38.91 3hqp s ASP 83 CO 0.07 -0.55 1.10 -0.89 0.52 0.00 0.00 175.17 175.42 3hqp s THR 84 N 2.90 2.89 -0.05 1.71 2.01 -0.22 -1.08 115.64 123.80 3hqp s THR 84 Ca 0.34 0.29 -0.12 0.00 0.31 0.00 0.00 61.69 62.51 3hqp s THR 84 Cb -0.15 -3.02 -0.07 0.00 0.01 0.00 0.00 72.50 69.27 3hqp s THR 84 CO 0.09 -0.38 0.50 0.11 -0.69 0.00 0.00 174.62 174.25 3hqp h LYS 85 N -1.17 -0.40 0.00 4.92 1.57 -1.90 -3.40 116.57 116.19 3hqp h LYS 85 Ca -0.48 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.36 3hqp h LYS 85 Cb 1.28 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 3hqp h LYS 85 CO 0.59 -0.24 -0.04 0.41 -0.57 0.00 0.00 179.45 179.60 3hqp n GLY 86 N 0.71 -2.11 3.40 3.86 0.00 -1.26 -4.43 105.19 105.37 3hqp n GLY 86 Ca -0.05 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 3hqp n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hqp n PRO 87 N -0.95 1.42 -4.40 1.61 -0.04 -1.26 -4.90 135.00 126.48 3hqp n PRO 87 Ca 0.00 -2.14 -0.21 0.00 -0.04 0.00 0.00 63.50 61.12 3hqp n PRO 87 Cb 0.05 -3.38 -0.10 0.00 -0.04 0.00 0.00 33.50 30.03 3hqp n PRO 87 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3hqp s GLU 88 N 6.06 1.48 -0.12 0.54 -1.05 -1.26 -4.97 118.70 119.38 3hqp s GLU 88 Ca 0.65 -1.69 0.01 0.00 -0.15 0.00 0.00 54.97 53.79 3hqp s GLU 88 Cb 0.05 -1.29 -0.01 0.00 -0.44 0.00 0.00 34.13 32.44 3hqp s GLU 88 CO 0.14 0.18 -0.16 0.42 0.95 0.00 0.00 175.26 176.79 3hqp s ILE 89 N -2.87 2.79 0.11 1.83 1.01 -1.26 -4.96 121.20 117.86 3hqp s ILE 89 Ca 0.26 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 60.23 3hqp s ILE 89 Cb -0.00 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3hqp s ILE 89 CO 0.10 0.54 -0.19 -0.13 0.00 0.00 0.00 174.94 175.26 3hqp s ARG 90 N 0.27 1.09 0.94 2.79 1.81 -1.26 -1.74 118.95 122.85 3hqp s ARG 90 Ca -0.11 -1.17 -0.16 0.00 -1.72 0.00 0.00 55.73 52.56 3hqp s ARG 90 Cb -0.16 -1.26 0.22 0.00 -0.45 0.00 0.00 34.95 33.30 3hqp s ARG 90 CO 0.06 0.28 1.19 0.25 -0.68 0.00 0.00 175.30 176.41 3hqp n THR 91 N 0.96 0.00 -1.06 0.02 -2.24 -0.05 -1.06 114.28 110.85 3hqp n THR 91 Ca -0.19 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.77 3hqp n THR 91 Cb 0.54 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 3hqp n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hqp n GLY 92 N -3.24 1.05 3.92 3.38 0.00 -0.51 -3.98 105.19 105.82 3hqp n GLY 92 Ca 0.15 -1.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.07 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 2.00 3.54 -0.06 1.61 -0.21 0.16 -0.32 119.66 126.39 3hqp s GLN 93 Ca 0.00 -0.13 0.05 0.00 0.02 0.00 0.00 55.36 55.30 3hqp s GLN 93 Cb 0.00 -2.60 -0.02 0.00 1.00 0.00 0.00 33.01 31.39 3hqp s GLN 93 CO 0.00 0.10 -0.21 -0.06 -2.12 0.00 0.00 175.29 173.00 3hqp s PHE 94 N -2.32 2.52 0.15 0.91 0.08 -1.26 -3.15 117.98 114.91 3hqp s PHE 94 Ca 0.43 -0.52 -0.34 0.00 0.12 0.00 0.00 56.93 56.61 3hqp s PHE 94 Cb -0.10 -1.61 -0.14 0.00 -0.57 0.00 0.00 43.02 40.59 3hqp s PHE 94 CO 0.36 -0.08 1.50 0.28 -0.10 0.00 0.00 175.22 177.18 3hqp n VAL 95 N 2.75 0.10 0.00 -0.44 0.31 0.32 -2.50 118.33 118.87 3hqp n VAL 95 Ca -0.17 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3hqp n VAL 95 Cb 0.52 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 3hqp n VAL 95 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hqp n GLY 96 N 3.09 2.13 0.37 2.92 0.00 -1.26 -4.28 105.19 108.15 3hqp n GLY 96 Ca 0.17 -0.21 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 0.00 -0.16 3.38 -0.02 0.00 -1.04 -5.17 105.19 102.19 3hqp n GLY 97 Ca 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 1.79 -0.07 1.61 1.47 -1.26 -3.71 116.67 114.51 3hqp s ASP 98 Ca 0.00 -1.38 0.02 0.00 1.18 0.00 0.00 52.55 52.38 3hqp s ASP 98 Cb 0.00 0.04 0.01 0.00 -0.34 0.00 0.00 42.92 42.63 3hqp s ASP 98 CO 0.00 -0.66 -0.13 0.00 0.68 0.00 0.00 175.17 175.06 3hqp s ALA 99 N -3.52 1.32 -0.50 2.11 0.00 0.54 -4.79 121.76 116.91 3hqp s ALA 99 Ca 0.37 -0.45 -0.21 0.00 0.00 0.00 0.00 51.96 51.67 3hqp s ALA 99 Cb 0.08 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.67 3hqp s ALA 99 CO 0.14 0.13 0.73 0.08 0.00 0.00 0.00 175.76 176.84 3hqp s VAL 100 N 0.62 4.71 -0.23 0.00 1.01 -1.26 -1.01 120.40 124.24 3hqp s VAL 100 Ca -0.15 -0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 3hqp s VAL 100 Cb -0.16 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 3hqp s VAL 100 CO 0.04 -0.84 0.37 -0.04 0.00 0.00 0.00 175.10 174.63 3hqp s MET 101 N 3.09 4.10 0.01 2.72 -1.94 -1.09 -4.79 119.30 121.40 3hqp s MET 101 Ca 0.22 0.10 0.02 0.00 -1.71 0.00 0.00 55.69 54.32 3hqp s MET 101 Cb -0.16 -3.59 -0.04 0.00 2.01 0.00 0.00 34.83 33.06 3hqp s MET 101 CO 0.16 -0.13 -0.01 -1.21 -0.01 0.00 0.00 175.02 173.82 3hqp s GLU 102 N 1.61 2.71 -0.15 2.03 2.02 -1.26 -2.13 118.70 123.53 3hqp s GLU 102 Ca 0.16 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.20 3hqp s GLU 102 Cb -0.15 -2.62 -0.07 0.00 0.10 0.00 0.00 34.13 31.39 3hqp s GLU 102 CO 0.08 0.61 2.14 -2.13 0.02 0.00 0.00 175.26 175.99 3hqp n ARG 103 N 1.33 2.18 0.00 1.61 0.63 -1.26 -1.77 116.66 119.38 3hqp n ARG 103 Ca -0.14 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 3hqp n ARG 103 Cb 0.53 -3.12 0.00 0.00 0.45 0.00 0.00 32.46 30.32 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 5.42 2.53 3.77 5.14 0.00 0.49 -5.02 105.19 117.52 3hqp n GLY 104 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.67 3.19 -0.17 4.61 0.00 -0.73 -4.69 121.76 121.31 3hqp s ALA 105 Ca 0.00 1.25 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 3hqp s ALA 105 Cb 0.00 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3hqp s ALA 105 CO 0.00 -0.92 0.58 -0.08 0.00 0.00 0.00 175.76 175.35 3hqp s THR 106 N -1.28 5.07 0.16 0.00 -1.32 -1.26 -2.42 115.64 114.59 3hqp s THR 106 Ca 0.59 1.12 0.03 0.00 -1.21 0.00 0.00 61.69 62.23 3hqp s THR 106 Cb -0.38 -3.91 -0.05 0.00 -1.51 0.00 0.00 72.50 66.65 3hqp s THR 106 CO 0.49 0.18 -0.06 0.00 -2.21 0.00 0.00 174.62 173.02 3hqp s TYR 108 N -3.45 1.89 -0.17 0.00 2.02 -0.30 -0.35 117.35 116.98 3hqp s TYR 108 Ca 0.20 -0.85 -0.07 0.00 -0.37 0.00 0.00 57.07 55.98 3hqp s TYR 108 Cb 0.04 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 3hqp s TYR 108 CO 0.02 -0.44 0.05 0.14 -1.57 0.00 0.00 175.55 173.75 3hqp s VAL 109 N 0.92 4.70 0.23 0.71 -7.23 -0.67 -2.15 120.40 116.91 3hqp s VAL 109 Ca -0.08 -0.07 0.10 0.00 -1.81 0.00 0.00 61.98 60.12 3hqp s VAL 109 Cb -0.15 -3.10 -0.05 0.00 0.56 0.00 0.00 36.38 33.64 3hqp s VAL 109 CO -0.00 0.48 -0.13 0.28 -0.31 0.00 0.00 175.10 175.41 3hqp s THR 110 N 0.24 2.87 -0.93 5.32 -1.32 -0.85 -0.92 115.64 120.06 3hqp s THR 110 Ca 0.03 -2.02 0.15 0.00 -1.21 0.00 0.00 61.69 58.64 3hqp s THR 110 Cb -0.12 -2.47 -0.11 0.00 -1.51 0.00 0.00 72.50 68.29 3hqp s THR 110 CO 0.01 -0.26 0.69 0.41 -2.21 0.00 0.00 174.62 173.25 3hqp n THR 111 N -0.34 0.00 -2.17 5.08 -1.04 -0.17 -2.39 114.28 113.26 3hqp n THR 111 Ca -0.08 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.28 3hqp n THR 111 Cb 0.58 1.06 -0.02 0.00 -1.82 0.00 0.00 70.33 70.12 3hqp n THR 111 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hqp s ASP 112 N -2.19 6.55 0.00 8.00 3.68 -1.26 -4.90 116.67 126.55 3hqp s ASP 112 Ca 0.08 1.70 0.10 0.00 2.13 0.00 0.00 52.55 56.56 3hqp s ASP 112 Cb 0.11 -2.53 0.46 0.00 -1.45 0.00 0.00 42.92 39.51 3hqp s ASP 112 CO 0.52 -1.10 1.29 -2.65 0.13 0.00 0.00 175.17 173.36 3hqp n PRO 113 N 7.37 0.05 0.07 4.34 -0.02 -1.26 -2.27 135.00 143.27 3hqp n PRO 113 Ca 0.17 0.28 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 3hqp n PRO 113 Cb 0.45 -1.50 0.45 0.00 -0.02 0.00 0.00 33.50 32.88 3hqp n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqp n ALA 114 N -1.42 1.96 -0.89 3.55 0.00 -1.26 -2.87 120.51 119.57 3hqp n ALA 114 Ca 0.03 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.54 3hqp n ALA 114 Cb 0.10 -1.39 0.32 0.00 0.00 0.00 0.00 19.45 18.48 3hqp n ALA 114 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hqp n PHE 115 N -1.93 1.40 0.19 0.00 3.01 -0.96 -4.62 117.46 114.54 3hqp n PHE 115 Ca 0.04 -0.78 0.06 0.00 1.01 0.00 0.00 57.45 57.78 3hqp n PHE 115 Cb 0.29 -0.37 0.33 0.00 -0.01 0.00 0.00 39.48 39.72 3hqp n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hqp h ALA 116 N 2.84 0.98 0.00 4.37 0.00 -1.72 -3.31 119.26 122.43 3hqp h ALA 116 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 54.91 54.30 3hqp h ALA 116 Cb 1.62 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 3hqp h ALA 116 CO 0.32 0.46 -2.02 -0.40 0.00 0.00 0.00 179.25 177.60 3hqp n ASP 117 N -3.50 1.59 -4.54 0.00 5.68 -1.26 0.40 116.55 114.93 3hqp n ASP 117 Ca -0.00 -0.02 -0.42 0.00 -0.50 0.00 0.00 54.79 53.85 3hqp n ASP 117 Cb 0.51 0.64 -0.08 0.00 -1.14 0.00 0.00 41.12 41.06 3hqp n ASP 117 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3hqp s LYS 118 N -2.36 3.48 -0.20 0.11 1.02 -1.24 -4.16 119.74 116.38 3hqp s LYS 118 Ca -0.11 -0.31 -0.11 0.00 0.02 0.00 0.00 55.97 55.47 3hqp s LYS 118 Cb 0.05 -3.86 0.07 0.00 -0.52 0.00 0.00 37.83 33.57 3hqp s LYS 118 CO 0.57 -0.73 0.48 0.20 -0.92 0.00 0.00 175.35 174.96 3hqp s GLY 119 N 1.81 -0.41 0.00 -3.33 0.00 -1.19 -4.75 107.32 99.44 3hqp s GLY 119 Ca 0.18 1.77 0.00 0.00 0.00 0.00 0.00 44.72 46.66 3hqp s GLY 119 CO 0.14 1.95 0.00 -1.30 0.00 0.00 0.00 173.10 173.89 3hqp n THR 120 N 4.40 0.00 0.30 0.90 -2.24 -0.71 0.12 114.28 117.05 3hqp n THR 120 Ca -0.21 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.73 3hqp n THR 120 Cb 0.55 0.00 0.94 0.00 -2.10 0.00 0.00 70.33 69.72 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 0.15 -0.78 2.10 -1.92 -3.19 116.57 112.92 3hqp h LYS 121 Ca 0.00 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.37 3hqp h LYS 121 Cb 0.00 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.34 3hqp h LYS 121 CO 0.00 0.03 -1.37 -0.44 -2.00 0.00 0.00 179.45 175.66 3hqp h ASP 122 N 0.00 0.49 -3.41 7.07 3.32 -1.94 -3.44 116.42 118.51 3hqp h ASP 122 Ca -0.00 -0.90 -0.15 0.00 0.02 0.00 0.00 57.03 56.01 3hqp h ASP 122 Cb 0.09 -0.16 -0.27 0.00 0.22 0.00 0.00 39.33 39.21 3hqp h ASP 122 CO 0.00 1.62 -0.37 -0.75 -1.72 0.00 0.00 179.24 178.02 3hqp s LYS 123 N -2.50 0.33 0.16 3.56 2.20 -1.21 -1.15 119.74 121.14 3hqp s LYS 123 Ca -0.17 0.63 -0.13 0.00 -0.36 0.00 0.00 55.97 55.94 3hqp s LYS 123 Cb 0.04 -0.01 0.01 0.00 -1.51 0.00 0.00 37.83 36.36 3hqp s LYS 123 CO 0.81 -0.14 0.37 -0.59 -0.36 0.00 0.00 175.35 175.44 3hqp s PHE 124 N 1.08 0.14 0.14 4.03 -0.71 -0.91 -1.73 117.98 120.02 3hqp s PHE 124 Ca -0.07 -0.50 -0.11 0.00 -1.04 0.00 0.00 56.93 55.21 3hqp s PHE 124 Cb -0.08 0.13 -0.06 0.00 -1.21 0.00 0.00 43.02 41.80 3hqp s PHE 124 CO -0.08 -0.77 0.48 -0.47 -1.34 0.00 0.00 175.22 173.04 3hqp s TYR 125 N -3.91 3.54 -0.08 3.49 5.04 -1.26 -2.01 117.35 122.17 3hqp s TYR 125 Ca 0.12 0.88 -0.00 0.00 -2.44 0.00 0.00 57.07 55.62 3hqp s TYR 125 Cb 0.02 -2.24 0.02 0.00 0.35 0.00 0.00 41.96 40.11 3hqp s TYR 125 CO -0.03 0.42 -0.05 0.42 -1.34 0.00 0.00 175.55 174.97 3hqp s ILE 126 N -1.55 0.72 -2.00 3.14 1.01 -1.00 -1.42 121.20 120.10 3hqp s ILE 126 Ca 0.39 -0.14 0.12 0.00 0.00 0.00 0.00 60.65 61.02 3hqp s ILE 126 Cb -0.13 -0.77 0.34 0.00 0.01 0.00 0.00 42.46 41.91 3hqp s ILE 126 CO 0.20 0.30 1.30 -0.90 0.00 0.00 0.00 174.94 175.84 3hqp n ASP 127 N 4.69 0.00 -4.71 3.58 5.68 -0.23 -4.63 116.55 120.92 3hqp n ASP 127 Ca -0.15 -1.19 -0.42 0.00 -0.50 0.00 0.00 54.79 52.53 3hqp n ASP 127 Cb 0.50 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.45 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 -2.00 3.27 0.20 2.11 5.04 -1.26 -4.92 117.35 119.79 3hqp s TYR 128 Ca 0.18 1.04 -0.22 0.00 -2.44 0.00 0.00 57.07 55.63 3hqp s TYR 128 Cb 0.08 -3.61 0.13 0.00 0.35 0.00 0.00 41.96 38.91 3hqp s TYR 128 CO 0.14 -2.10 1.55 1.96 -1.34 0.00 0.00 175.55 175.77 3hqp h GLN 129 N 6.86 -0.04 -1.79 4.97 1.08 -1.97 -3.36 115.11 120.88 3hqp h GLN 129 Ca -0.42 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.47 3hqp h GLN 129 Cb 1.21 0.01 -0.29 0.00 -0.05 0.00 0.00 27.48 28.36 3hqp h GLN 129 CO 0.85 -0.03 -0.64 0.54 -0.95 0.00 0.00 178.83 178.60 3hqp s ASN 130 N -5.36 0.70 0.02 1.46 4.22 -1.26 -5.00 114.94 109.73 3hqp s ASN 130 Ca -0.13 -1.42 0.25 0.00 -2.14 0.00 0.00 52.86 49.42 3hqp s ASN 130 Cb 0.17 0.81 0.57 0.00 1.28 0.00 0.00 41.25 44.07 3hqp s ASN 130 CO 0.68 -0.25 1.46 0.00 -2.04 0.00 0.00 177.10 176.96 3hqp n LEU 131 N 4.30 0.48 0.15 3.54 -0.00 -1.26 -3.90 117.00 120.31 3hqp n LEU 131 Ca 0.11 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 3hqp n LEU 131 Cb 0.47 -0.27 0.21 0.00 -0.00 0.00 0.00 43.42 43.83 3hqp n LEU 131 CO 0.07 0.07 0.54 0.28 -0.00 0.00 0.00 177.39 178.35 3hqp h SER 132 N 0.00 0.00 1.69 1.45 0.02 -1.92 -2.31 113.55 112.47 3hqp h SER 132 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3hqp h SER 132 Cb 0.55 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3hqp h SER 132 CO 0.00 0.56 -0.29 0.11 -1.14 0.00 0.00 176.83 176.07 3hqp h LYS 133 N 0.00 0.00 0.13 3.45 1.57 -1.97 -3.35 116.57 116.40 3hqp h LYS 133 Ca -0.01 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 3hqp h LYS 133 Cb 1.06 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.38 3hqp h LYS 133 CO 0.07 0.29 -1.12 0.28 -0.57 0.00 0.00 179.45 178.41 3hqp h VAL 134 N 0.00 1.28 -3.86 0.50 2.07 -1.67 -3.47 116.25 111.10 3hqp h VAL 134 Ca -0.00 -2.48 -0.68 0.00 0.82 0.00 0.00 66.70 64.36 3hqp h VAL 134 Cb 1.21 2.97 -0.20 0.00 -1.52 0.00 0.00 31.29 33.74 3hqp h VAL 134 CO 0.04 0.71 -0.78 0.68 0.02 0.00 0.00 177.57 178.23 3hqp s VAL 135 N -2.46 2.98 0.49 2.57 -7.23 -0.89 -5.06 120.40 110.80 3hqp s VAL 135 Ca -0.16 -1.15 0.05 0.00 -1.81 0.00 0.00 61.98 58.91 3hqp s VAL 135 Cb 0.03 -2.28 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 3hqp s VAL 135 CO 0.80 0.31 0.22 -0.13 -0.31 0.00 0.00 175.10 176.00 3hqp s ARG 136 N -1.54 2.23 0.26 4.82 0.52 -1.26 -4.72 118.95 119.25 3hqp s ARG 136 Ca 0.16 -2.05 -0.30 0.00 -0.52 0.00 0.00 55.73 53.01 3hqp s ARG 136 Cb -0.11 -1.91 -0.14 0.00 0.52 0.00 0.00 34.95 33.31 3hqp s ARG 136 CO 0.07 -0.37 1.25 -2.30 0.02 0.00 0.00 175.30 173.97 3hqp n PRO 137 N -1.44 1.73 0.00 3.54 -0.02 -1.26 -2.65 135.00 134.90 3hqp n PRO 137 Ca -0.06 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3hqp n PRO 137 Cb 0.65 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3hqp n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqp n GLY 138 N 1.64 3.37 3.80 -1.23 0.00 0.51 -5.00 105.19 108.28 3hqp n GLY 138 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.89 6.24 0.08 1.61 -0.87 -1.08 -4.73 114.94 115.30 3hqp s ASN 139 Ca 0.00 1.89 -0.07 0.00 -1.57 0.00 0.00 52.86 53.10 3hqp s ASN 139 Cb 0.00 -2.55 -0.05 0.00 -0.02 0.00 0.00 41.25 38.62 3hqp s ASN 139 CO 0.00 -0.85 0.36 -0.31 -2.57 0.00 0.00 177.10 173.73 3hqp s TYR 140 N -2.11 3.55 -0.18 2.20 2.02 -1.26 -1.98 117.35 119.59 3hqp s TYR 140 Ca 0.66 0.67 0.01 0.00 -0.37 0.00 0.00 57.07 58.04 3hqp s TYR 140 Cb -0.16 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.35 3hqp s TYR 140 CO 0.24 0.52 -0.20 0.42 -1.57 0.00 0.00 175.55 174.96 3hqp s ILE 141 N -1.45 2.07 -0.17 2.71 1.01 0.63 -4.95 121.20 121.05 3hqp s ILE 141 Ca 0.34 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 59.89 3hqp s ILE 141 Cb -0.13 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3hqp s ILE 141 CO 0.20 0.53 0.36 -0.31 0.00 0.00 0.00 174.94 175.71 3hqp s TYR 142 N 1.29 3.44 -0.03 3.97 1.51 -1.20 0.23 117.35 126.56 3hqp s TYR 142 Ca 0.05 0.65 0.06 0.00 -1.01 0.00 0.00 57.07 56.82 3hqp s TYR 142 Cb -0.13 -2.44 -0.01 0.00 -0.11 0.00 0.00 41.96 39.27 3hqp s TYR 142 CO -0.13 0.15 -0.20 0.42 -1.11 0.00 0.00 175.55 174.68 3hqp s ILE 143 N 0.76 1.62 -0.67 2.71 -1.09 0.17 -1.58 121.20 123.13 3hqp s ILE 143 Ca 0.19 -0.86 -0.02 0.00 -2.23 0.00 0.00 60.65 57.73 3hqp s ILE 143 Cb -0.14 -1.37 0.00 0.00 -1.58 0.00 0.00 42.46 39.38 3hqp s ILE 143 CO 0.06 0.46 0.66 -0.67 -1.23 0.00 0.00 174.94 174.22 3hqp n ASP 144 N 2.80 -7.60 -3.06 3.58 2.03 -0.14 -0.94 116.55 113.21 3hqp n ASP 144 Ca -0.16 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 54.95 3hqp n ASP 144 Cb 0.53 -5.16 0.00 0.00 -0.72 0.00 0.00 41.12 35.77 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 -1.57 -4.26 -0.16 1.67 8.00 -1.26 -1.71 116.55 117.27 3hqp n ASP 145 Ca 0.01 -0.22 -0.02 0.00 0.71 0.00 0.00 54.79 55.27 3hqp n ASP 145 Cb 0.49 -3.52 -0.01 0.00 -0.02 0.00 0.00 41.12 38.06 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 -1.15 0.52 0.06 0.44 0.00 -1.18 -4.78 105.19 99.10 3hqp n GLY 146 Ca -0.07 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 1.49 -3.22 -0.61 2.04 -0.76 -3.43 117.51 113.02 3hqp h ILE 147 Ca -0.04 -1.47 -0.58 0.00 1.00 0.00 0.00 64.86 63.76 3hqp h ILE 147 Cb 0.35 2.47 -0.06 0.00 -0.74 0.00 0.00 36.82 38.83 3hqp h ILE 147 CO 0.06 0.39 -0.11 -0.22 0.00 0.00 0.00 178.15 178.27 3hqp s LEU 148 N -8.95 4.41 -0.08 1.44 2.96 -0.11 -4.97 118.68 113.38 3hqp s LEU 148 Ca -0.17 1.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.80 3hqp s LEU 148 Cb 0.01 -2.76 0.01 0.00 0.50 0.00 0.00 46.19 43.95 3hqp s LEU 148 CO 0.69 0.16 -0.18 -0.63 -1.32 0.00 0.00 176.35 175.07 3hqp s ILE 149 N -0.36 1.56 0.15 6.68 1.01 -1.26 0.46 121.20 129.44 3hqp s ILE 149 Ca 0.27 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.24 3hqp s ILE 149 Cb -0.17 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 3hqp s ILE 149 CO 0.14 0.45 0.12 -0.76 0.00 0.00 0.00 174.94 174.90 3hqp s LEU 150 N 0.50 3.80 -0.13 2.97 1.43 0.14 -2.38 118.68 125.01 3hqp s LEU 150 Ca -0.16 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3hqp s LEU 150 Cb -0.17 -2.43 0.03 0.00 0.03 0.00 0.00 46.19 43.66 3hqp s LEU 150 CO 0.06 0.09 -0.04 -1.58 0.23 0.00 0.00 176.35 175.12 3hqp s GLN 151 N -2.95 1.15 0.05 1.70 0.74 -0.50 -0.27 119.66 119.58 3hqp s GLN 151 Ca 0.31 -0.25 -0.31 0.00 0.05 0.00 0.00 55.36 55.16 3hqp s GLN 151 Cb -0.10 -1.60 -0.06 0.00 1.10 0.00 0.00 33.01 32.35 3hqp s GLN 151 CO 0.23 -0.36 1.34 0.08 -0.55 0.00 0.00 175.29 176.02 3hqp s VAL 152 N 1.78 3.67 -0.22 1.34 1.01 -0.84 -0.11 120.40 127.03 3hqp s VAL 152 Ca 0.03 1.15 -0.16 0.00 0.00 0.00 0.00 61.98 63.00 3hqp s VAL 152 Cb -0.14 -3.74 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 3hqp s VAL 152 CO -0.07 0.05 -0.21 0.00 0.00 0.00 0.00 175.10 174.87 3hqp n GLN 153 N 4.50 0.55 -3.93 2.72 3.00 -0.78 -0.37 117.38 123.08 3hqp n GLN 153 Ca 0.11 0.35 -0.11 0.00 -0.01 0.00 0.00 57.00 57.35 3hqp n GLN 153 Cb 0.44 -1.56 -0.01 0.00 0.00 0.00 0.00 30.24 29.11 3hqp n GLN 153 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 3hqp s SER 154 N -6.71 0.26 -0.22 1.08 1.04 -1.25 -4.63 113.70 103.26 3hqp s SER 154 Ca -0.31 -1.17 -0.14 0.00 0.48 0.00 0.00 55.95 54.81 3hqp s SER 154 Cb 0.08 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.91 3hqp s SER 154 CO 0.46 -1.46 0.33 -1.00 0.98 0.00 0.00 173.24 172.54 3hqp s HIS 155 N -2.93 3.34 -0.04 5.02 3.76 -1.26 -1.36 115.29 121.83 3hqp s HIS 155 Ca 0.21 0.48 -0.21 0.00 -0.15 0.00 0.00 55.06 55.39 3hqp s HIS 155 Cb -0.03 -2.46 -0.15 0.00 1.11 0.00 0.00 32.58 31.05 3hqp s HIS 155 CO 0.13 -0.01 0.91 0.93 -0.85 0.00 0.00 174.74 175.86 3hqp h GLU 156 N 7.49 -0.29 0.00 1.40 4.39 -1.47 -3.47 114.58 122.63 3hqp h GLU 156 Ca -0.36 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.36 3hqp h GLU 156 Cb 1.16 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3hqp h GLU 156 CO 0.69 0.08 0.00 -0.40 -1.16 0.00 0.00 179.01 178.22 3hqp n ASP 157 N -5.00 0.21 0.00 1.42 5.68 -1.13 -4.98 116.55 112.75 3hqp n ASP 157 Ca -0.08 -0.53 0.10 0.00 -0.50 0.00 0.00 54.79 53.79 3hqp n ASP 157 Cb 0.26 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 40.85 3hqp n ASP 157 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3hqp n GLU 158 N 0.00 0.73 0.00 0.11 2.13 -1.26 -3.44 120.64 118.91 3hqp n GLU 158 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3hqp n GLU 158 Cb 0.00 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 30.27 3hqp n GLU 158 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3hqp n GLN 159 N -0.94 0.60 -4.56 5.31 6.02 -1.26 -4.95 117.38 117.61 3hqp n GLN 159 Ca 0.15 -0.05 -0.21 0.00 -0.01 0.00 0.00 57.00 56.88 3hqp n GLN 159 Cb 0.07 -0.36 -0.15 0.00 1.02 0.00 0.00 30.24 30.82 3hqp n GLN 159 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hqp s THR 160 N -0.10 1.00 -0.01 5.09 2.01 -1.22 -1.00 115.64 121.41 3hqp s THR 160 Ca 0.00 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 61.50 3hqp s THR 160 Cb 0.00 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 3hqp s THR 160 CO 0.00 0.27 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.23 3hqp s LEU 161 N -0.34 2.40 -0.04 4.42 1.43 -0.10 -1.18 118.68 125.27 3hqp s LEU 161 Ca 0.05 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 52.57 3hqp s LEU 161 Cb -0.05 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 3hqp s LEU 161 CO -0.00 0.31 0.54 -0.70 0.23 0.00 0.00 176.35 176.72 3hqp s GLU 162 N -0.91 4.27 0.04 1.70 2.12 -0.46 -1.68 118.70 123.78 3hqp s GLU 162 Ca 0.12 0.61 0.02 0.00 0.36 0.00 0.00 54.97 56.07 3hqp s GLU 162 Cb -0.10 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 3hqp s GLU 162 CO 0.01 0.34 -0.07 0.00 -0.54 0.00 0.00 175.26 175.00 3hqp s THR 164 N -1.33 4.27 -0.56 0.00 2.01 0.84 -1.54 115.64 119.33 3hqp s THR 164 Ca -0.10 -0.19 -0.27 0.00 0.31 0.00 0.00 61.69 61.43 3hqp s THR 164 Cb -0.10 -2.98 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 3hqp s THR 164 CO 0.00 0.37 1.67 -0.69 -0.69 0.00 0.00 174.62 175.28 3hqp s VAL 165 N 1.35 3.53 -0.32 3.82 1.01 -1.02 -1.41 120.40 127.37 3hqp s VAL 165 Ca 0.05 0.41 0.26 0.00 0.00 0.00 0.00 61.98 62.70 3hqp s VAL 165 Cb -0.15 -4.11 0.35 0.00 0.00 0.00 0.00 36.38 32.47 3hqp s VAL 165 CO 0.03 -0.97 1.72 0.71 0.00 0.00 0.00 175.10 176.58 3hqp h THR 166 N 6.66 0.00 -3.49 3.92 1.35 -1.80 0.14 112.91 119.69 3hqp h THR 166 Ca -0.28 -0.83 -0.10 0.00 -0.55 0.00 0.00 66.41 64.66 3hqp h THR 166 Cb 1.13 1.82 -0.17 0.00 -1.73 0.00 0.00 68.15 69.21 3hqp h THR 166 CO 1.18 0.00 -0.32 0.54 -0.25 0.00 0.00 175.52 176.67 3hqp s ASN 167 N -5.93 -0.02 -0.18 5.36 2.20 -1.26 -4.79 114.94 110.32 3hqp s ASN 167 Ca 0.06 -0.34 -0.26 0.00 -0.94 0.00 0.00 52.86 51.38 3hqp s ASN 167 Cb 0.07 0.33 -0.01 0.00 -2.00 0.00 0.00 41.25 39.63 3hqp s ASN 167 CO 0.63 -0.61 0.86 -0.44 -2.94 0.00 0.00 177.10 174.59 3hqp s SER 168 N -2.20 6.97 -0.28 3.54 0.01 -1.26 -4.49 113.70 115.99 3hqp s SER 168 Ca -0.03 1.20 -0.19 0.00 1.31 0.00 0.00 55.95 58.23 3hqp s SER 168 Cb -0.00 -2.46 0.09 0.00 0.21 0.00 0.00 66.02 63.85 3hqp s SER 168 CO -0.05 -0.43 0.76 -2.28 0.41 0.00 0.00 173.24 171.65 3hqp s HIS 169 N 2.27 -0.88 -0.19 2.43 5.04 -0.91 -5.00 115.29 118.05 3hqp s HIS 169 Ca 0.39 1.88 -0.22 0.00 -1.54 0.00 0.00 55.06 55.57 3hqp s HIS 169 Cb -0.16 0.48 -0.02 0.00 0.04 0.00 0.00 32.58 32.91 3hqp s HIS 169 CO 0.12 -0.43 0.67 0.99 -2.34 0.00 0.00 174.74 173.75 3hqp s THR 170 N 1.14 4.99 0.05 0.89 2.01 -1.26 -2.66 115.64 120.80 3hqp s THR 170 Ca -0.06 1.29 0.06 0.00 0.31 0.00 0.00 61.69 63.29 3hqp s THR 170 Cb -0.05 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 3hqp s THR 170 CO -0.12 0.10 -0.14 0.27 -0.69 0.00 0.00 174.62 174.03 3hqp s ILE 171 N 1.94 3.12 0.45 1.82 -4.36 -0.18 -4.95 121.20 119.03 3hqp s ILE 171 Ca 0.31 -1.11 0.05 0.00 -0.26 0.00 0.00 60.65 59.64 3hqp s ILE 171 Cb -0.16 -2.36 0.05 0.00 1.25 0.00 0.00 42.46 41.24 3hqp s ILE 171 CO 0.11 0.30 0.42 -1.20 0.24 0.00 0.00 174.94 174.81 3hqp n SER 172 N 1.35 2.18 -4.67 4.36 7.64 -1.26 -0.34 113.62 122.88 3hqp n SER 172 Ca -0.15 -2.42 -0.41 0.00 1.01 0.00 0.00 58.87 56.89 3hqp n SER 172 Cb 0.52 -0.13 0.02 0.00 -1.01 0.00 0.00 64.21 63.61 3hqp n SER 172 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3hqp n ASP 173 N -2.05 2.04 -3.08 6.43 9.92 -1.24 -3.96 116.55 124.61 3hqp n ASP 173 Ca 0.03 1.06 -0.31 0.00 -0.53 0.00 0.00 54.79 55.04 3hqp n ASP 173 Cb 0.49 -1.45 0.03 0.00 -0.64 0.00 0.00 41.12 39.55 3hqp n ASP 173 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 3hqp n ARG 174 N -0.07 -1.51 -3.47 -1.24 1.85 0.56 -4.96 116.66 107.82 3hqp n ARG 174 Ca 0.08 1.08 -0.36 0.00 -1.00 0.00 0.00 57.85 57.65 3hqp n ARG 174 Cb 0.40 -1.61 -0.06 0.00 -1.05 0.00 0.00 32.46 30.14 3hqp n ARG 174 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3hqp s ARG 175 N -2.23 3.89 0.03 2.89 6.06 -1.25 -4.58 118.95 123.76 3hqp s ARG 175 Ca 0.28 0.36 -0.30 0.00 -2.50 0.00 0.00 55.73 53.57 3hqp s ARG 175 Cb -0.03 -3.04 -0.07 0.00 0.06 0.00 0.00 34.95 31.87 3hqp s ARG 175 CO 0.71 0.57 1.61 0.20 -2.50 0.00 0.00 175.30 175.89 3hqp s GLY 176 N -1.55 1.60 -0.15 8.12 0.00 -1.26 -0.87 107.32 113.21 3hqp s GLY 176 Ca 0.32 1.10 -0.01 0.00 0.00 0.00 0.00 44.72 46.13 3hqp s GLY 176 CO 0.17 2.86 -0.11 0.54 0.00 0.00 0.00 173.10 176.57 3hqp s VAL 177 N 2.90 3.17 0.02 1.40 0.11 -0.71 -0.97 120.40 126.32 3hqp s VAL 177 Ca 0.72 -0.61 0.07 0.00 -2.93 0.00 0.00 61.98 59.23 3hqp s VAL 177 Cb -0.37 -2.36 -0.03 0.00 -1.53 0.00 0.00 36.38 32.09 3hqp s VAL 177 CO 0.31 0.51 -0.19 0.20 -3.33 0.00 0.00 175.10 172.60 3hqp s ASN 178 N 0.53 3.70 -0.41 3.54 0.01 -0.61 -4.31 114.94 117.39 3hqp s ASN 178 Ca -0.07 -0.40 0.02 0.00 -0.71 0.00 0.00 52.86 51.69 3hqp s ASN 178 Cb -0.15 -0.60 0.15 0.00 0.41 0.00 0.00 41.25 41.06 3hqp s ASN 178 CO 0.04 0.28 0.26 -0.76 -1.51 0.00 0.00 177.10 175.41 3hqp s LEU 179 N -1.20 1.82 0.16 0.60 2.01 -1.26 -3.22 118.68 117.59 3hqp s LEU 179 Ca 0.13 -2.61 -0.30 0.00 0.01 0.00 0.00 54.13 51.36 3hqp s LEU 179 Cb -0.10 -0.67 -0.07 0.00 0.01 0.00 0.00 46.19 45.35 3hqp s LEU 179 CO 0.03 -0.25 1.15 -2.84 1.01 0.00 0.00 176.35 175.45 3hqp s PRO 180 N 0.48 4.53 -0.83 1.29 0.02 -1.26 -3.29 135.00 135.94 3hqp s PRO 180 Ca 0.22 1.79 0.00 0.00 0.02 0.00 0.00 61.00 63.02 3hqp s PRO 180 Cb -0.16 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.08 3hqp s PRO 180 CO -0.05 -0.04 0.00 0.41 -0.33 0.00 0.00 177.00 176.99 3hqp n GLY 181 N 2.27 0.94 0.11 0.52 0.00 -1.26 -4.88 105.19 102.88 3hqp n GLY 181 Ca 0.04 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.95 -2.04 -4.84 0.00 4.64 -1.26 -5.03 116.55 105.07 3hqp n ASP 183 Ca -0.33 0.96 -0.38 0.00 -1.38 0.00 0.00 54.79 53.67 3hqp n ASP 183 Cb 1.10 -3.83 -0.06 0.00 -1.04 0.00 0.00 41.12 37.29 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 -0.43 5.10 -0.57 5.18 -7.23 -1.26 -5.00 120.40 116.18 3hqp s VAL 184 Ca -0.16 0.74 0.00 0.00 -1.81 0.00 0.00 61.98 60.75 3hqp s VAL 184 Cb 0.01 -3.67 0.52 0.00 0.56 0.00 0.00 36.38 33.80 3hqp s VAL 184 CO 0.43 0.57 1.98 -0.67 -0.31 0.00 0.00 175.10 177.10 3hqp n ASP 185 N 1.80 6.11 -4.78 4.85 2.03 -1.26 -4.98 116.55 120.33 3hqp n ASP 185 Ca -0.15 -3.67 -0.37 0.00 0.52 0.00 0.00 54.79 51.12 3hqp n ASP 185 Cb 0.53 -0.92 -0.05 0.00 -0.72 0.00 0.00 41.12 39.96 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 -3.50 4.22 0.67 -2.67 1.43 -1.26 -5.03 118.68 112.53 3hqp s LEU 186 Ca 0.60 2.01 -0.15 0.00 -1.03 0.00 0.00 54.13 55.56 3hqp s LEU 186 Cb 0.48 -4.10 0.01 0.00 0.03 0.00 0.00 46.19 42.61 3hqp s LEU 186 CO 0.04 -0.37 1.12 -2.16 0.23 0.00 0.00 176.35 175.21 3hqp s PRO 187 N -2.31 2.71 0.12 1.29 0.04 -1.26 -4.95 135.00 130.64 3hqp s PRO 187 Ca 0.55 1.43 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 3hqp s PRO 187 Cb -0.22 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 3hqp s PRO 187 CO 0.28 -1.32 1.77 0.00 0.04 0.00 0.00 177.00 177.76 3hqp h ALA 188 N -0.03 0.22 -3.36 8.56 0.00 -1.99 -3.38 119.26 119.28 3hqp h ALA 188 Ca -0.47 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 53.90 3hqp h ALA 188 Cb 1.25 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.59 3hqp h ALA 188 CO 0.53 -0.31 -0.77 0.54 0.00 0.00 0.00 179.25 179.24 3hqp s VAL 189 N -6.18 0.82 0.97 0.00 0.11 -1.26 -4.56 120.40 110.31 3hqp s VAL 189 Ca -0.13 -0.69 -0.14 0.00 -2.93 0.00 0.00 61.98 58.08 3hqp s VAL 189 Cb 0.08 -1.22 0.18 0.00 -1.53 0.00 0.00 36.38 33.89 3hqp s VAL 189 CO 0.69 -0.12 1.18 -0.94 -3.33 0.00 0.00 175.10 172.57 3hqp s SER 190 N 1.73 2.99 0.24 3.54 1.04 -1.26 -4.86 113.70 117.12 3hqp s SER 190 Ca -0.02 0.72 -0.02 0.00 0.48 0.00 0.00 55.95 57.12 3hqp s SER 190 Cb -0.17 -1.10 0.29 0.00 0.10 0.00 0.00 66.02 65.13 3hqp s SER 190 CO -0.07 -2.85 1.68 0.00 0.98 0.00 0.00 173.24 172.97 3hqp h ALA 191 N -1.71 0.99 -0.43 5.32 0.00 -1.99 -2.03 119.26 119.41 3hqp h ALA 191 Ca -0.48 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 53.99 3hqp h ALA 191 Cb 1.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3hqp h ALA 191 CO 0.51 0.60 -0.12 0.87 0.00 0.00 0.00 179.25 181.11 3hqp h LYS 192 N 0.59 0.79 -0.62 0.00 1.57 -2.00 -2.87 116.57 114.04 3hqp h LYS 192 Ca 0.09 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3hqp h LYS 192 Cb 0.67 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3hqp h LYS 192 CO 0.05 0.87 0.35 -0.44 -0.57 0.00 0.00 179.45 179.71 3hqp h ASP 193 N 0.71 0.76 0.65 0.86 3.32 -1.83 -1.47 116.42 119.42 3hqp h ASP 193 Ca 0.12 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3hqp h ASP 193 Cb 0.61 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3hqp h ASP 193 CO 0.04 0.63 -0.30 -0.09 -1.72 0.00 0.00 179.24 177.80 3hqp h ARG 194 N 0.83 0.00 0.08 3.56 2.43 -1.32 -0.45 114.38 119.51 3hqp h ARG 194 Ca 0.22 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 59.10 3hqp h ARG 194 Cb 0.03 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3hqp h ARG 194 CO -0.04 0.30 -1.17 0.28 -1.51 0.00 0.00 179.97 177.83 3hqp h VAL 195 N 0.00 1.29 -0.05 0.20 2.07 -1.27 -2.78 116.25 115.71 3hqp h VAL 195 Ca -0.00 -2.40 -0.13 0.00 0.82 0.00 0.00 66.70 64.99 3hqp h VAL 195 Cb 0.71 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 3hqp h VAL 195 CO 0.04 0.73 -0.57 0.44 0.02 0.00 0.00 177.57 178.23 3hqp h ASP 196 N 0.32 0.17 -0.26 0.57 3.32 -0.98 -2.52 116.42 117.03 3hqp h ASP 196 Ca -0.17 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 56.62 3hqp h ASP 196 Cb 1.84 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.34 3hqp h ASP 196 CO 0.23 0.70 -0.50 -0.07 -1.72 0.00 0.00 179.24 177.88 3hqp h LEU 197 N 0.11 0.89 -0.82 1.55 3.38 -1.16 -2.56 115.31 116.70 3hqp h LEU 197 Ca -0.00 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.37 3hqp h LEU 197 Cb 1.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3hqp h LEU 197 CO 0.08 1.26 0.20 -0.61 0.09 0.00 0.00 178.44 179.47 3hqp h GLN 198 N 0.56 1.08 -1.00 1.13 5.75 -1.44 -1.25 115.11 119.93 3hqp h GLN 198 Ca 0.01 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.32 3hqp h GLN 198 Cb 1.11 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 29.44 3hqp h GLN 198 CO 0.11 0.93 0.65 0.35 -2.65 0.00 0.00 178.83 178.22 3hqp h PHE 199 N 1.04 1.21 -0.56 3.99 3.57 -1.45 -0.69 116.94 124.05 3hqp h PHE 199 Ca 0.22 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 3hqp h PHE 199 Cb 0.31 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3hqp h PHE 199 CO 0.02 0.68 0.06 0.78 -2.23 0.00 0.00 178.31 177.62 3hqp h GLY 200 N 1.24 1.03 0.91 2.40 0.00 -0.92 -0.78 103.07 106.94 3hqp h GLY 200 Ca 0.41 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3hqp h GLY 200 CO -0.14 0.66 -0.02 -2.08 0.00 0.00 0.00 176.54 174.96 3hqp h VAL 201 N 0.85 1.27 -0.67 4.60 2.07 -0.99 -0.39 116.25 122.99 3hqp h VAL 201 Ca 0.17 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3hqp h VAL 201 Cb 0.46 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3hqp h VAL 201 CO 0.02 0.33 0.36 -0.33 0.02 0.00 0.00 177.57 177.97 3hqp h GLU 202 N 0.41 0.93 -0.38 1.57 5.08 -1.06 -2.79 114.58 118.34 3hqp h GLU 202 Ca 0.09 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hqp h GLU 202 Cb 0.49 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3hqp h GLU 202 CO 0.02 0.69 0.00 1.04 -1.00 0.00 0.00 179.01 179.76 3hqp n GLN 203 N -4.37 2.33 -3.61 2.33 1.13 -0.31 -4.98 117.38 109.90 3hqp n GLN 203 Ca 0.07 -2.02 -0.22 0.00 -1.94 0.00 0.00 57.00 52.89 3hqp n GLN 203 Cb 0.10 -1.48 0.07 0.00 0.11 0.00 0.00 30.24 29.04 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 1.42 -0.44 3.71 1.08 0.00 -0.30 -4.98 105.19 105.69 3hqp n GLY 204 Ca 0.19 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.39 2.30 -0.09 1.61 -7.23 -0.36 -4.96 120.40 108.28 3hqp s VAL 205 Ca 0.31 0.13 0.15 0.00 -1.81 0.00 0.00 61.98 60.76 3hqp s VAL 205 Cb -0.14 -2.59 -0.19 0.00 0.56 0.00 0.00 36.38 34.02 3hqp s VAL 205 CO 0.76 -0.09 0.72 0.47 -0.31 0.00 0.00 175.10 176.65 3hqp n ASP 206 N -3.08 0.83 -3.59 4.85 8.00 -0.77 -4.87 116.55 117.93 3hqp n ASP 206 Ca 0.13 0.38 -0.12 0.00 0.71 0.00 0.00 54.79 55.89 3hqp n ASP 206 Cb 0.51 0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.65 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 -2.76 1.06 -0.16 -1.24 0.23 -1.18 -2.62 119.30 112.62 3hqp s MET 207 Ca -0.04 -0.43 -0.02 0.00 -1.03 0.00 0.00 55.69 54.17 3hqp s MET 207 Cb 0.08 0.48 -0.02 0.00 -1.53 0.00 0.00 34.83 33.84 3hqp s MET 207 CO 0.82 -0.40 -0.08 0.42 -2.03 0.00 0.00 175.02 173.75 3hqp s ILE 208 N -3.01 3.45 -0.86 3.16 -1.09 0.17 -2.10 121.20 120.92 3hqp s ILE 208 Ca -0.02 -0.51 -0.16 0.00 -2.23 0.00 0.00 60.65 57.73 3hqp s ILE 208 Cb 0.00 -2.50 0.18 0.00 -1.58 0.00 0.00 42.46 38.57 3hqp s ILE 208 CO -0.06 0.49 0.90 -0.36 -1.23 0.00 0.00 174.94 174.68 3hqp s PHE 209 N 0.55 3.49 -0.42 3.97 0.08 0.00 -0.20 117.98 125.46 3hqp s PHE 209 Ca -0.05 -1.73 -0.29 0.00 0.12 0.00 0.00 56.93 54.98 3hqp s PHE 209 Cb -0.15 -4.00 0.02 0.00 -0.57 0.00 0.00 43.02 38.32 3hqp s PHE 209 CO 0.03 -1.19 1.17 0.00 -0.10 0.00 0.00 175.22 175.13 3hqp s ALA 210 N 1.20 3.24 0.39 5.36 0.00 -0.18 -1.06 121.76 130.71 3hqp s ALA 210 Ca 0.23 -0.29 -0.25 0.00 0.00 0.00 0.00 51.96 51.66 3hqp s ALA 210 Cb -0.09 -3.84 -0.09 0.00 0.00 0.00 0.00 23.12 19.11 3hqp s ALA 210 CO -0.09 -2.05 1.07 -1.12 0.00 0.00 0.00 175.76 173.57 3hqp s SER 211 N 2.47 6.76 -1.37 0.00 0.01 -1.26 -0.73 113.70 119.58 3hqp s SER 211 Ca 0.50 2.10 -0.05 0.00 1.31 0.00 0.00 55.95 59.80 3hqp s SER 211 Cb -0.10 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.57 3hqp s SER 211 CO 0.27 -0.49 0.89 0.49 0.41 0.00 0.00 173.24 174.81 3hqp n PHE 212 N 0.05 -2.20 -2.29 2.43 3.72 -1.21 -4.47 117.46 113.50 3hqp n PHE 212 Ca 0.04 0.90 -0.42 0.00 -0.05 0.00 0.00 57.45 57.92 3hqp n PHE 212 Cb 0.49 -4.44 -0.03 0.00 -0.94 0.00 0.00 39.48 34.56 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 -3.47 3.89 -0.03 4.37 -1.09 -0.75 -4.75 121.20 119.37 3hqp s ILE 213 Ca 0.28 1.23 0.03 0.00 -2.23 0.00 0.00 60.65 59.96 3hqp s ILE 213 Cb -0.14 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 3hqp s ILE 213 CO 0.80 -0.02 0.07 -2.11 -1.23 0.00 0.00 174.94 172.45 3hqp n ARG 214 N 5.56 1.19 -3.62 2.79 1.85 -1.26 -4.25 116.66 118.91 3hqp n ARG 214 Ca 0.13 -0.02 -0.12 0.00 -1.00 0.00 0.00 57.85 56.84 3hqp n ARG 214 Cb 0.44 -0.99 -0.05 0.00 -1.05 0.00 0.00 32.46 30.81 3hqp n ARG 214 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3hqp s SER 215 N -2.12 -0.32 0.41 2.89 1.04 -1.26 -4.01 113.70 110.32 3hqp s SER 215 Ca -0.01 -0.06 0.11 0.00 0.48 0.00 0.00 55.95 56.47 3hqp s SER 215 Cb 0.02 0.46 0.86 0.00 0.10 0.00 0.00 66.02 67.46 3hqp s SER 215 CO 0.11 -0.75 1.95 0.00 0.98 0.00 0.00 173.24 175.54 3hqp h ALA 216 N 2.70 1.59 -0.53 5.32 0.00 -1.86 -2.69 119.26 123.79 3hqp h ALA 216 Ca -0.32 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 3hqp h ALA 216 Cb 1.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3hqp h ALA 216 CO 0.44 0.30 0.17 1.49 0.00 0.00 0.00 179.25 181.64 3hqp h GLU 217 N 0.19 0.82 -0.89 0.00 4.81 -1.96 -2.81 114.58 114.73 3hqp h GLU 217 Ca 0.04 -0.18 0.06 0.00 -0.13 0.00 0.00 59.36 59.16 3hqp h GLU 217 Cb 0.32 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 3hqp h GLU 217 CO 0.02 0.75 0.56 0.37 -0.73 0.00 0.00 179.01 179.98 3hqp h GLN 218 N 0.73 0.99 -0.69 1.92 4.15 -1.89 -1.40 115.11 118.92 3hqp h GLN 218 Ca 0.17 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3hqp h GLN 218 Cb 0.28 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 3hqp h GLN 218 CO -0.01 0.65 0.43 0.28 -1.93 0.00 0.00 178.83 178.26 3hqp h VAL 219 N 1.02 1.19 -0.27 2.39 2.07 -1.44 -1.58 116.25 119.63 3hqp h VAL 219 Ca 0.39 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3hqp h VAL 219 Cb 0.17 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3hqp h VAL 219 CO -0.17 0.19 -0.09 1.23 0.02 0.00 0.00 177.57 178.74 3hqp h GLY 220 N 0.93 0.47 1.48 2.17 0.00 -1.15 -1.26 103.07 105.71 3hqp h GLY 220 Ca 0.25 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 3hqp h GLY 220 CO -0.05 0.28 -0.19 -0.55 0.00 0.00 0.00 176.54 176.04 3hqp h ASP 221 N 0.41 0.61 -0.46 0.19 3.32 -0.71 0.06 116.42 119.85 3hqp h ASP 221 Ca 0.08 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.80 3hqp h ASP 221 Cb 0.42 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3hqp h ASP 221 CO 0.02 0.81 -0.26 0.58 -1.72 0.00 0.00 179.24 178.67 3hqp h VAL 222 N 0.55 1.27 -0.45 -1.35 2.07 -0.93 -2.49 116.25 114.92 3hqp h VAL 222 Ca 0.09 -1.43 -0.09 0.00 0.82 0.00 0.00 66.70 66.08 3hqp h VAL 222 Cb 0.63 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3hqp h VAL 222 CO 0.04 0.49 -0.08 -0.09 0.02 0.00 0.00 177.57 177.95 3hqp h ARG 223 N 0.83 0.85 -0.87 1.57 2.43 -0.96 -2.36 114.38 115.87 3hqp h ARG 223 Ca 0.10 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 3hqp h ARG 223 Cb 0.85 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 3hqp h ARG 223 CO 0.07 0.95 0.48 0.87 -1.51 0.00 0.00 179.97 180.83 3hqp h LYS 224 N 0.69 1.22 -0.54 0.20 1.57 -1.04 -2.53 116.57 116.14 3hqp h LYS 224 Ca 0.12 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3hqp h LYS 224 Cb 0.62 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3hqp h LYS 224 CO 0.04 0.89 0.11 0.00 -0.57 0.00 0.00 179.45 179.92 3hqp h ALA 225 N 1.26 1.19 -0.22 3.86 0.00 -1.26 -2.28 119.26 121.81 3hqp h ALA 225 Ca 0.31 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3hqp h ALA 225 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hqp h ALA 225 CO -0.05 0.55 -0.31 -0.07 0.00 0.00 0.00 179.25 179.37 3hqp h LEU 226 N 0.80 0.45 0.00 0.00 3.38 -1.27 -3.45 115.31 115.22 3hqp h LEU 226 Ca 0.17 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hqp h LEU 226 Cb 0.32 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hqp h LEU 226 CO 0.00 0.75 -0.01 0.61 0.09 0.00 0.00 178.44 179.88 3hqp n GLY 227 N -0.27 -2.01 0.21 0.83 0.00 -0.86 -2.94 105.19 100.14 3hqp n GLY 227 Ca -0.01 -1.40 0.06 0.00 0.00 0.00 0.00 46.02 44.67 3hqp n GLY 227 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqp h PRO 228 N 0.00 0.00 -0.04 1.61 0.11 -1.88 -2.65 132.00 129.15 3hqp h PRO 228 Ca 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.96 3hqp h PRO 228 Cb 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 3hqp h PRO 228 CO 0.00 0.30 -0.66 0.87 -0.21 0.00 0.00 178.00 178.31 3hqp h LYS 229 N 0.00 0.17 -0.77 1.05 1.79 -2.00 -3.18 116.57 113.63 3hqp h LYS 229 Ca -0.00 -0.13 -0.31 0.00 -2.18 0.00 0.00 60.65 58.03 3hqp h LYS 229 Cb 0.61 0.02 -0.18 0.00 -1.58 0.00 0.00 32.23 31.10 3hqp h LYS 229 CO 0.04 0.76 0.36 0.41 -1.08 0.00 0.00 179.45 179.94 3hqp n GLY 230 N 0.37 4.10 0.20 3.86 0.00 -1.09 -4.63 105.19 108.01 3hqp n GLY 230 Ca -0.02 -1.06 -0.02 0.00 0.00 0.00 0.00 46.02 44.92 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 1.89 0.24 -0.03 1.61 0.11 -1.45 -2.79 114.38 113.95 3hqp h ARG 231 Ca 0.38 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 60.35 3hqp h ARG 231 Cb 2.43 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.50 3hqp h ARG 231 CO 0.81 0.60 0.00 -0.25 0.10 0.00 0.00 179.97 181.23 3hqp n ASP 232 N -4.04 1.44 -4.65 0.08 8.00 -1.26 -4.83 116.55 111.29 3hqp n ASP 232 Ca -0.01 -1.50 -0.43 0.00 0.71 0.00 0.00 54.79 53.56 3hqp n ASP 232 Cb 0.46 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 3hqp n ASP 232 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hqp s ILE 233 N -1.98 4.30 0.25 0.53 1.01 -1.06 -4.98 121.20 119.27 3hqp s ILE 233 Ca 0.38 1.54 -0.30 0.00 0.00 0.00 0.00 60.65 62.27 3hqp s ILE 233 Cb 0.21 -4.10 -0.10 0.00 0.01 0.00 0.00 42.46 38.48 3hqp s ILE 233 CO 0.33 -0.26 1.41 -0.04 0.00 0.00 0.00 174.94 176.38 3hqp s MET 234 N 3.67 4.29 -0.35 2.79 -1.94 -1.08 -4.82 119.30 121.86 3hqp s MET 234 Ca 0.53 2.26 -0.08 0.00 -1.71 0.00 0.00 55.69 56.70 3hqp s MET 234 Cb -0.19 -3.12 0.04 0.00 2.01 0.00 0.00 34.83 33.57 3hqp s MET 234 CO 0.16 -0.38 0.14 0.42 -0.01 0.00 0.00 175.02 175.35 3hqp s ILE 235 N -0.08 4.03 -0.29 2.53 1.01 -1.26 0.45 121.20 127.59 3hqp s ILE 235 Ca 0.58 -1.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 3hqp s ILE 235 Cb -0.41 -3.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 3hqp s ILE 235 CO 0.43 -0.21 0.20 -0.63 0.00 0.00 0.00 174.94 174.74 3hqp s ILE 236 N 1.45 5.30 -0.29 2.92 -1.09 0.72 -0.45 121.20 129.77 3hqp s ILE 236 Ca -0.00 0.14 -0.20 0.00 -2.23 0.00 0.00 60.65 58.35 3hqp s ILE 236 Cb -0.19 -3.56 -0.01 0.00 -1.58 0.00 0.00 42.46 37.11 3hqp s ILE 236 CO 0.04 0.21 0.62 0.00 -1.23 0.00 0.00 174.94 174.58 3hqp s LYS 238 N 2.55 4.19 -0.38 0.00 1.02 0.09 -1.34 119.74 125.87 3hqp s LYS 238 Ca 0.25 1.18 -0.15 0.00 0.02 0.00 0.00 55.97 57.27 3hqp s LYS 238 Cb -0.15 -3.66 0.00 0.00 -0.52 0.00 0.00 37.83 33.50 3hqp s LYS 238 CO 0.10 -0.66 0.33 0.42 -0.92 0.00 0.00 175.35 174.63 3hqp s ILE 239 N 3.20 5.20 0.00 2.17 -1.09 -0.58 -1.81 121.20 128.29 3hqp s ILE 239 Ca 0.42 -0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 3hqp s ILE 239 Cb -0.14 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 3hqp s ILE 239 CO 0.08 -0.22 0.44 -1.84 -1.23 0.00 0.00 174.94 172.18 3hqp n GLU 240 N 5.31 0.00 -3.92 2.79 0.28 -1.26 -2.50 120.64 121.34 3hqp n GLU 240 Ca -0.10 -0.40 -0.18 0.00 -0.16 0.00 0.00 57.16 56.32 3hqp n GLU 240 Cb 0.48 -0.33 -0.06 0.00 1.43 0.00 0.00 31.44 32.96 3hqp n GLU 240 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3hqp n ASN 241 N 0.00 -0.03 0.32 -1.84 0.23 -1.26 -2.94 115.26 109.74 3hqp n ASN 241 Ca 0.00 -2.83 -0.16 0.00 -0.53 0.00 0.00 54.58 51.06 3hqp n ASN 241 Cb 0.53 1.23 -0.08 0.00 -2.08 0.00 0.00 39.78 39.38 3hqp n ASN 241 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 3hqp h HIS 242 N 1.79 -0.77 0.00 -2.53 -0.00 -1.95 -3.10 115.15 108.59 3hqp h HIS 242 Ca -0.22 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.10 3hqp h HIS 242 Cb 1.01 0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 28.67 3hqp h HIS 242 CO 0.00 -0.43 -0.16 -0.56 -0.00 0.00 0.00 177.93 176.78 3hqp h GLN 243 N -1.05 0.00 -0.32 5.26 3.07 -1.95 -2.60 115.11 117.53 3hqp h GLN 243 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.65 3hqp h GLN 243 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.23 3hqp h GLN 243 CO 0.14 0.16 0.18 0.78 0.09 0.00 0.00 178.83 180.18 3hqp h GLY 244 N 1.93 0.47 0.98 0.06 0.00 -1.69 -1.22 103.07 103.61 3hqp h GLY 244 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3hqp h GLY 244 CO 0.02 0.20 0.29 -2.08 0.00 0.00 0.00 176.54 174.97 3hqp h VAL 245 N 0.39 1.18 -0.65 4.60 2.07 -1.42 -3.10 116.25 119.33 3hqp h VAL 245 Ca 0.11 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3hqp h VAL 245 Cb 0.05 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3hqp h VAL 245 CO -0.02 0.20 0.43 -0.61 0.02 0.00 0.00 177.57 177.59 3hqp h GLN 246 N 0.72 0.86 -0.85 1.57 4.15 -1.19 -2.91 115.11 117.48 3hqp h GLN 246 Ca 0.19 -0.06 -0.24 0.00 0.77 0.00 0.00 58.65 59.31 3hqp h GLN 246 Cb 0.06 -0.19 -0.14 0.00 0.21 0.00 0.00 27.48 27.41 3hqp h GLN 246 CO -0.03 0.58 0.30 0.09 -1.93 0.00 0.00 178.83 177.84 3hqp n ASN 247 N -4.62 4.21 -0.26 -0.69 3.02 -0.49 -4.68 115.26 111.75 3hqp n ASN 247 Ca 0.05 -3.09 0.06 0.00 -0.03 0.00 0.00 54.58 51.58 3hqp n ASN 247 Cb 0.02 -0.73 0.30 0.00 -0.61 0.00 0.00 39.78 38.76 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 1.93 1.01 -0.19 2.41 6.09 -1.43 -1.97 117.51 125.36 3hqp h ILE 248 Ca 0.30 -0.31 -0.00 0.00 -1.37 0.00 0.00 64.86 63.48 3hqp h ILE 248 Cb 2.19 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 39.52 3hqp h ILE 248 CO 0.70 0.16 0.10 0.44 -3.07 0.00 0.00 178.15 176.48 3hqp h ASP 249 N 0.89 0.23 -0.10 2.19 3.32 -1.87 -0.33 116.42 120.75 3hqp h ASP 249 Ca 0.38 -0.08 -0.19 0.00 0.02 0.00 0.00 57.03 57.17 3hqp h ASP 249 Cb 0.31 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3hqp h ASP 249 CO -0.15 0.24 -0.61 0.77 -1.72 0.00 0.00 179.24 177.77 3hqp h SER 250 N 0.20 0.81 -0.45 6.45 4.64 -1.88 -2.75 113.55 120.58 3hqp h SER 250 Ca 0.07 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3hqp h SER 250 Cb 0.06 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 3hqp h SER 250 CO -0.01 1.23 0.28 0.40 -0.87 0.00 0.00 176.83 177.86 3hqp h ILE 251 N 0.53 1.13 -0.57 0.95 2.04 -1.27 -2.45 117.51 117.86 3hqp h ILE 251 Ca -0.01 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.62 3hqp h ILE 251 Cb 1.20 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 3hqp h ILE 251 CO 0.12 0.13 0.32 0.40 0.00 0.00 0.00 178.15 179.13 3hqp h ILE 252 N 0.60 1.01 -0.79 -0.67 2.04 -1.04 0.10 117.51 118.75 3hqp h ILE 252 Ca 0.16 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.84 3hqp h ILE 252 Cb -0.03 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 3hqp h ILE 252 CO -0.03 0.11 0.52 -0.08 0.00 0.00 0.00 178.15 178.67 3hqp h GLU 253 N 0.63 0.95 0.02 2.37 4.57 -1.20 -3.04 114.58 118.87 3hqp h GLU 253 Ca 0.24 -0.06 -0.28 0.00 -1.18 0.00 0.00 59.36 58.09 3hqp h GLU 253 Cb 0.10 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 3hqp h GLU 253 CO -0.14 0.63 -1.51 0.93 -1.18 0.00 0.00 179.01 177.75 3hqp h GLU 254 N 0.98 0.05 -7.65 1.92 4.39 -1.01 -3.48 114.58 109.78 3hqp h GLU 254 Ca 0.32 -0.08 -0.46 0.00 0.34 0.00 0.00 59.36 59.48 3hqp h GLU 254 Cb 0.04 0.03 0.14 0.00 -0.10 0.00 0.00 28.75 28.86 3hqp h GLU 254 CO -0.09 0.75 0.37 -1.54 -1.16 0.00 0.00 179.01 177.34 3hqp s SER 255 N -6.43 3.53 0.00 1.42 1.04 0.31 -4.94 113.70 108.63 3hqp s SER 255 Ca -0.05 0.63 0.20 0.00 0.48 0.00 0.00 55.95 57.21 3hqp s SER 255 Cb 0.08 -0.96 0.22 0.00 0.10 0.00 0.00 66.02 65.47 3hqp s SER 255 CO 0.82 -2.50 1.19 0.47 0.98 0.00 0.00 173.24 174.21 3hqp n ASP 256 N -3.68 2.85 0.00 7.02 10.43 0.41 -4.94 116.55 128.64 3hqp n ASP 256 Ca 0.11 -1.87 0.00 0.00 2.57 0.00 0.00 54.79 55.59 3hqp n ASP 256 Cb 0.60 -0.06 0.00 0.00 1.84 0.00 0.00 41.12 43.50 3hqp n ASP 256 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hqp n GLY 257 N 1.18 0.46 3.07 0.44 0.00 -1.19 -4.15 105.19 105.00 3hqp n GLY 257 Ca 0.13 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 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 0.78 -0.12 -0.61 -1.09 -0.89 -0.72 121.20 116.55 3hqp s ILE 258 Ca 0.00 -0.76 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 3hqp s ILE 258 Cb 0.00 -0.72 -0.01 0.00 -1.58 0.00 0.00 42.46 40.14 3hqp s ILE 258 CO 0.00 -0.02 -0.15 -0.32 -1.23 0.00 0.00 174.94 173.21 3hqp s MET 259 N -0.87 3.27 -1.08 2.79 -2.45 -0.45 -1.32 119.30 119.18 3hqp s MET 259 Ca -0.01 -0.73 -0.20 0.00 -1.25 0.00 0.00 55.69 53.51 3hqp s MET 259 Cb -0.06 -2.55 0.08 0.00 1.25 0.00 0.00 34.83 33.55 3hqp s MET 259 CO 0.00 0.23 1.45 0.08 1.05 0.00 0.00 175.02 177.83 3hqp s VAL 260 N 0.29 4.24 -1.24 10.11 1.01 0.48 -1.53 120.40 133.76 3hqp s VAL 260 Ca -0.11 -1.38 -0.19 0.00 0.00 0.00 0.00 61.98 60.29 3hqp s VAL 260 Cb -0.16 -5.02 0.04 0.00 0.00 0.00 0.00 36.38 31.24 3hqp s VAL 260 CO 0.06 -1.84 1.74 0.00 0.00 0.00 0.00 175.10 175.06 3hqp s ALA 261 N 4.01 2.97 0.21 5.51 0.00 -1.04 -2.38 121.76 131.04 3hqp s ALA 261 Ca 0.45 -2.69 0.24 0.00 0.00 0.00 0.00 51.96 49.96 3hqp s ALA 261 Cb -0.00 -4.64 1.01 0.00 0.00 0.00 0.00 23.12 19.49 3hqp s ALA 261 CO -0.05 -3.67 1.87 0.00 0.00 0.00 0.00 175.76 173.91 3hqp h ARG 262 N 8.27 0.00 0.49 0.00 3.08 -1.83 -2.45 114.38 121.94 3hqp h ARG 262 Ca 0.37 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 3hqp h ARG 262 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3hqp h ARG 262 CO 1.41 0.22 -0.37 0.78 -1.07 0.00 0.00 179.97 180.95 3hqp h GLY 263 N 1.77 -1.09 1.69 0.04 0.00 -1.86 -0.97 103.07 102.65 3hqp h GLY 263 Ca -0.00 0.47 -0.17 0.00 0.00 0.00 0.00 47.33 47.63 3hqp h GLY 263 CO 0.03 -0.36 -0.67 -0.55 0.00 0.00 0.00 176.54 174.99 3hqp h ASP 264 N -0.82 0.37 -0.87 0.19 3.32 -1.84 -3.20 116.42 113.56 3hqp h ASP 264 Ca -0.06 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 56.78 3hqp h ASP 264 Cb 0.68 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.08 3hqp h ASP 264 CO 0.02 0.93 0.57 0.25 -1.72 0.00 0.00 179.24 179.30 3hqp h LEU 265 N 0.22 0.97 0.00 1.55 6.46 -1.32 -1.37 115.31 121.82 3hqp h LEU 265 Ca -0.02 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 3hqp h LEU 265 Cb 1.22 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 3hqp h LEU 265 CO 0.11 0.68 0.00 0.61 -0.62 0.00 0.00 178.44 179.22 3hqp n GLY 266 N -1.34 -0.62 0.05 3.75 0.00 -0.37 -0.37 105.19 106.29 3hqp n GLY 266 Ca 0.10 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.15 0.65 0.14 1.61 0.31 -0.85 -3.97 118.33 115.06 3hqp n VAL 267 Ca 0.09 -0.29 0.01 0.00 -0.01 0.00 0.00 64.34 64.15 3hqp n VAL 267 Cb 0.08 -0.87 0.08 0.00 -0.91 0.00 0.00 33.84 32.22 3hqp n VAL 267 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3hqp h GLU 268 N 0.00 0.00 -6.68 5.55 4.57 -1.06 -3.44 114.58 113.52 3hqp h GLU 268 Ca -0.25 0.00 -0.65 0.00 -1.18 0.00 0.00 59.36 57.28 3hqp h GLU 268 Cb 1.44 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 29.81 3hqp h GLU 268 CO -0.03 0.57 -0.85 -1.50 -1.18 0.00 0.00 179.01 176.02 3hqp s ILE 269 N -3.08 2.14 0.28 2.32 1.10 0.50 -4.61 121.20 119.85 3hqp s ILE 269 Ca 0.02 -1.75 -0.29 0.00 -0.51 0.00 0.00 60.65 58.12 3hqp s ILE 269 Cb 0.09 -1.91 -0.14 0.00 0.15 0.00 0.00 42.46 40.65 3hqp s ILE 269 CO 0.75 0.02 1.20 -2.65 -2.11 0.00 0.00 174.94 172.14 3hqp n PRO 270 N 0.84 1.72 -0.35 3.50 -0.02 -1.26 -4.36 135.00 135.06 3hqp n PRO 270 Ca -0.17 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.01 3hqp n PRO 270 Cb 0.54 -2.12 0.28 0.00 -0.02 0.00 0.00 33.50 32.18 3hqp n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqp h ALA 271 N 2.83 1.61 0.00 3.55 0.00 -1.90 -1.05 119.26 124.31 3hqp h ALA 271 Ca -0.43 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hqp h ALA 271 Cb 1.31 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hqp h ALA 271 CO 0.66 0.09 0.00 1.05 0.00 0.00 0.00 179.25 181.05 3hqp h GLU 272 N 0.88 0.00 0.00 0.00 9.09 -1.93 -3.03 114.58 119.60 3hqp h GLU 272 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 3hqp h GLU 272 Cb 0.67 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.77 3hqp h GLU 272 CO -0.30 0.00 0.00 0.87 0.05 0.00 0.00 179.01 179.63 3hqp h LYS 273 N 0.00 0.00 -0.25 1.06 1.79 -1.54 -3.23 116.57 114.40 3hqp h LYS 273 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3hqp h LYS 273 Cb 0.74 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.38 3hqp h LYS 273 CO 0.00 0.00 0.02 0.28 -1.08 0.00 0.00 179.45 178.67 3hqp h VAL 274 N 0.00 1.14 0.12 0.50 2.07 -1.57 -1.11 116.25 117.41 3hqp h VAL 274 Ca 0.00 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 66.99 3hqp h VAL 274 Cb 0.74 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3hqp h VAL 274 CO 0.00 0.19 -0.15 0.58 0.02 0.00 0.00 177.57 178.20 3hqp h VAL 275 N 0.35 0.65 -0.18 2.57 2.07 -1.76 0.25 116.25 120.21 3hqp h VAL 275 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3hqp h VAL 275 Cb 0.21 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3hqp h VAL 275 CO 0.00 0.00 0.10 0.58 0.02 0.00 0.00 177.57 178.27 3hqp h VAL 276 N -0.32 1.11 -0.69 2.57 2.07 -1.67 -2.64 116.25 116.69 3hqp h VAL 276 Ca 0.01 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 67.29 3hqp h VAL 276 Cb 0.32 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 3hqp h VAL 276 CO -0.06 0.11 0.38 0.00 0.02 0.00 0.00 177.57 178.01 3hqp h ALA 277 N 0.98 0.94 -0.98 1.67 0.00 -1.05 -1.45 119.26 119.38 3hqp h ALA 277 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hqp h ALA 277 Cb 0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3hqp h ALA 277 CO -0.01 0.03 0.64 0.37 0.00 0.00 0.00 179.25 180.28 3hqp h GLN 278 N 0.68 1.29 -0.19 0.00 4.15 -0.32 -0.32 115.11 120.41 3hqp h GLN 278 Ca 0.32 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 3hqp h GLN 278 Cb 0.24 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 3hqp h GLN 278 CO -0.21 0.87 0.06 0.87 -1.93 0.00 0.00 178.83 178.49 3hqp h LYS 279 N 1.33 0.29 0.20 1.69 1.57 -1.04 -2.64 116.57 117.97 3hqp h LYS 279 Ca 0.36 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 3hqp h LYS 279 Cb -0.14 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.13 3hqp h LYS 279 CO -0.08 0.39 -0.10 0.82 -0.57 0.00 0.00 179.45 179.92 3hqp h ILE 280 N 0.13 0.79 -0.17 1.86 2.04 -0.85 -1.92 117.51 119.39 3hqp h ILE 280 Ca 0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 3hqp h ILE 280 Cb 0.22 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3hqp h ILE 280 CO -0.00 0.00 0.08 -0.07 0.00 0.00 0.00 178.15 178.16 3hqp h LEU 281 N -0.28 0.23 -0.55 1.44 3.38 -1.11 -0.41 115.31 118.00 3hqp h LEU 281 Ca -0.02 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3hqp h LEU 281 Cb 0.22 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3hqp h LEU 281 CO 0.04 0.29 0.14 0.40 0.09 0.00 0.00 178.44 179.40 3hqp h ILE 282 N 0.15 1.24 -0.22 1.22 2.04 -1.49 -0.71 117.51 119.74 3hqp h ILE 282 Ca 0.06 -0.86 -0.15 0.00 1.00 0.00 0.00 64.86 64.91 3hqp h ILE 282 Cb 0.12 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3hqp h ILE 282 CO -0.01 0.32 -0.48 0.28 0.00 0.00 0.00 178.15 178.26 3hqp h SER 283 N 0.77 0.63 -0.59 1.72 0.02 -1.26 -0.73 113.55 114.12 3hqp h SER 283 Ca 0.17 -0.31 -0.08 0.00 -0.84 0.00 0.00 61.79 60.73 3hqp h SER 283 Cb 0.33 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3hqp h SER 283 CO 0.00 1.01 0.06 0.11 -1.14 0.00 0.00 176.83 176.87 3hqp h LYS 284 N 0.47 1.01 -0.74 3.45 1.57 -0.97 -2.17 116.57 119.18 3hqp h LYS 284 Ca 0.03 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.46 3hqp h LYS 284 Cb 1.01 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 3hqp h LYS 284 CO 0.09 0.97 0.24 0.00 -0.57 0.00 0.00 179.45 180.18 3hqp h ASN 286 N 1.09 0.35 -0.73 0.00 -0.26 -0.99 -0.16 115.58 114.89 3hqp h ASN 286 Ca 0.24 -0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 3hqp h ASN 286 Cb 0.30 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.43 3hqp h ASN 286 CO -0.01 0.32 0.39 0.58 -1.06 0.00 0.00 177.43 177.65 3hqp h VAL 287 N 0.36 1.23 0.00 2.81 2.07 -1.34 -2.28 116.25 119.09 3hqp h VAL 287 Ca 0.10 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3hqp h VAL 287 Cb 0.04 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3hqp h VAL 287 CO -0.02 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.83 3hqp h ALA 288 N 1.38 1.00 -1.50 1.67 0.00 -1.02 -3.47 119.26 117.32 3hqp h ALA 288 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 3hqp h ALA 288 Cb 0.06 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hqp h ALA 288 CO -0.04 0.00 -0.21 0.41 0.00 0.00 0.00 179.25 179.41 3hqp n GLY 289 N 0.35 0.13 3.40 0.00 0.00 -0.20 -5.05 105.19 103.82 3hqp n GLY 289 Ca 0.02 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.64 2.13 0.41 1.61 1.02 -0.47 -4.82 119.74 114.98 3hqp s LYS 290 Ca 0.05 -0.92 -0.27 0.00 0.02 0.00 0.00 55.97 54.85 3hqp s LYS 290 Cb -0.02 -2.15 -0.10 0.00 -0.52 0.00 0.00 37.83 35.04 3hqp s LYS 290 CO 0.06 0.56 1.44 -2.30 -0.92 0.00 0.00 175.35 174.19 3hqp n PRO 291 N 2.03 2.42 -4.28 -1.68 -0.02 -1.26 -4.37 135.00 127.84 3hqp n PRO 291 Ca -0.16 0.85 -0.19 0.00 -2.02 0.00 0.00 63.50 61.98 3hqp n PRO 291 Cb 0.52 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.23 3hqp n PRO 291 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hqp s VAL 292 N -1.15 0.63 -0.06 -1.45 0.11 -1.26 -2.09 120.40 115.12 3hqp s VAL 292 Ca 0.57 -0.27 0.04 0.00 -2.93 0.00 0.00 61.98 59.39 3hqp s VAL 292 Cb -0.47 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 3hqp s VAL 292 CO 0.61 0.21 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.79 3hqp s ILE 293 N 0.25 2.85 -0.21 7.04 1.01 -0.44 -1.14 121.20 130.57 3hqp s ILE 293 Ca -0.03 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 3hqp s ILE 293 Cb -0.08 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 3hqp s ILE 293 CO 0.00 0.57 0.09 0.00 0.00 0.00 0.00 174.94 175.61 3hqp s ALA 295 N 0.77 1.93 0.04 0.00 0.00 -1.00 -1.25 121.76 122.25 3hqp s ALA 295 Ca 0.05 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.36 3hqp s ALA 295 Cb -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3hqp s ALA 295 CO 0.02 0.03 0.00 2.41 0.00 0.00 0.00 175.76 178.22 3hqp n THR 296 N -0.36 -3.17 -2.45 0.00 -1.04 -1.26 -3.60 114.28 102.41 3hqp n THR 296 Ca -0.08 0.51 -0.19 0.00 -2.04 0.00 0.00 64.05 62.24 3hqp n THR 296 Cb 0.61 -2.18 -0.01 0.00 -1.82 0.00 0.00 70.33 66.92 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 0.09 -1.98 -0.18 -2.82 6.02 -1.26 -4.77 117.38 112.48 3hqp n GLN 297 Ca 0.00 0.91 -0.09 0.00 -0.01 0.00 0.00 57.00 57.82 3hqp n GLN 297 Cb 0.00 -5.58 0.01 0.00 1.02 0.00 0.00 30.24 25.69 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 -0.08 0.82 -0.71 -1.09 2.86 -1.87 -3.35 114.93 111.52 3hqp h MET 298 Ca -0.45 -0.20 -0.30 0.00 -2.06 0.00 0.00 59.70 56.68 3hqp h MET 298 Cb 1.33 -0.11 -0.40 0.00 0.06 0.00 0.00 31.60 32.49 3hqp h MET 298 CO 0.53 0.79 -1.14 1.28 1.06 0.00 0.00 176.91 179.43 3hqp n LEU 299 N -4.44 1.62 -0.19 1.22 4.77 -1.26 -4.57 117.00 114.15 3hqp n LEU 299 Ca 0.02 -3.39 0.10 0.00 -0.03 0.00 0.00 56.01 52.71 3hqp n LEU 299 Cb 0.23 0.43 0.41 0.00 -2.33 0.00 0.00 43.42 42.15 3hqp n LEU 299 CO 0.40 1.30 1.21 -0.08 -1.33 0.00 0.00 177.39 178.90 3hqp h GLU 300 N 2.77 0.61 0.00 3.23 4.57 -1.97 -1.54 114.58 122.26 3hqp h GLU 300 Ca -0.11 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3hqp h GLU 300 Cb 1.23 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3hqp h GLU 300 CO 0.34 0.41 0.00 0.66 -1.18 0.00 0.00 179.01 179.24 3hqp h SER 301 N 0.63 0.00 0.04 1.04 4.64 -1.94 -2.57 113.55 115.40 3hqp h SER 301 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3hqp h SER 301 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3hqp h SER 301 CO -0.13 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.06 3hqp n MET 302 N -2.99 0.94 0.25 4.77 2.81 -0.58 -1.09 117.12 121.24 3hqp n MET 302 Ca -0.00 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.00 3hqp n MET 302 Cb 0.24 -1.50 0.68 0.00 -0.71 0.00 0.00 33.22 31.93 3hqp n MET 302 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3hqp h THR 303 N 0.00 0.68 0.00 2.03 2.02 -1.61 -3.33 112.91 112.69 3hqp h THR 303 Ca 0.00 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3hqp h THR 303 Cb 0.02 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3hqp h THR 303 CO 0.00 0.14 -0.83 -1.22 0.37 0.00 0.00 175.52 173.98 3hqp n TYR 304 N -3.76 0.00 -4.84 3.16 4.02 -1.02 -1.18 117.16 113.54 3hqp n TYR 304 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.56 3hqp n TYR 304 Cb 0.25 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.43 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 -2.03 3.52 0.62 7.72 -0.87 -0.25 -4.92 114.94 118.74 3hqp s ASN 305 Ca 0.00 -0.46 0.39 0.00 -1.57 0.00 0.00 52.86 51.22 3hqp s ASN 305 Cb 0.00 -0.50 2.02 0.00 -0.02 0.00 0.00 41.25 42.75 3hqp s ASN 305 CO 0.00 0.27 2.24 1.55 -2.57 0.00 0.00 177.10 178.59 3hqp h PRO 306 N 4.82 0.00 -4.00 -0.60 0.13 -1.88 -3.38 132.00 127.10 3hqp h PRO 306 Ca -0.47 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 3hqp h PRO 306 Cb 1.15 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.08 3hqp h PRO 306 CO 0.46 0.02 -0.68 -0.98 -0.23 0.00 0.00 178.00 176.59 3hqp s ARG 307 N -4.07 0.38 0.75 0.86 1.70 -1.26 -4.91 118.95 112.41 3hqp s ARG 307 Ca -0.03 -0.72 -0.09 0.00 -0.47 0.00 0.00 55.73 54.41 3hqp s ARG 307 Cb 0.12 0.14 0.07 0.00 -0.57 0.00 0.00 34.95 34.71 3hqp s ARG 307 CO 0.47 -0.07 1.09 -1.25 -1.08 0.00 0.00 175.30 174.47 3hqp s PRO 308 N -1.96 2.10 0.56 3.89 0.04 -1.26 -4.69 135.00 133.67 3hqp s PRO 308 Ca -0.11 -0.07 -0.08 0.00 0.04 0.00 0.00 61.00 60.78 3hqp s PRO 308 Cb -0.06 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3hqp s PRO 308 CO -0.03 -1.40 0.91 0.95 0.04 0.00 0.00 177.00 177.47 3hqp s THR 309 N -3.41 4.65 0.43 1.26 -4.23 -1.26 -4.94 115.64 108.14 3hqp s THR 309 Ca 0.61 0.46 0.10 0.00 -1.18 0.00 0.00 61.69 61.68 3hqp s THR 309 Cb -0.11 -3.81 0.28 0.00 1.34 0.00 0.00 72.50 70.20 3hqp s THR 309 CO 0.47 -0.92 2.04 0.03 -0.54 0.00 0.00 174.62 175.70 3hqp h ARG 310 N -0.07 0.46 0.00 3.99 2.47 -2.00 -1.04 114.38 118.19 3hqp h ARG 310 Ca -0.46 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.15 3hqp h ARG 310 Cb 1.21 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 3hqp h ARG 310 CO 0.62 0.30 -0.43 0.00 0.56 0.00 0.00 179.97 181.02 3hqp h ALA 311 N 1.75 1.22 0.10 0.04 0.00 -1.99 -2.43 119.26 117.94 3hqp h ALA 311 Ca 0.18 -0.39 -0.26 0.00 0.00 0.00 0.00 54.91 54.43 3hqp h ALA 311 Cb 0.12 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hqp h ALA 311 CO -0.04 0.54 -1.16 0.93 0.00 0.00 0.00 179.25 179.52 3hqp h GLU 312 N 0.00 0.36 -0.50 0.00 5.08 -1.46 -2.43 114.58 115.63 3hqp h GLU 312 Ca -0.00 -0.52 -0.11 0.00 -1.00 0.00 0.00 59.36 57.73 3hqp h GLU 312 Cb 0.80 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 3hqp h GLU 312 CO 0.06 1.21 -0.13 0.28 -1.00 0.00 0.00 179.01 179.42 3hqp h VAL 313 N 0.14 1.27 -0.59 3.13 2.07 -1.39 -2.84 116.25 118.06 3hqp h VAL 313 Ca -0.13 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.07 3hqp h VAL 313 Cb 1.85 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 3hqp h VAL 313 CO 0.20 0.44 0.21 -1.28 0.02 0.00 0.00 177.57 177.16 3hqp h SER 314 N 0.83 0.83 -0.69 0.57 0.87 -1.49 -2.63 113.55 111.84 3hqp h SER 314 Ca 0.13 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 3hqp h SER 314 Cb 0.70 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 3hqp h SER 314 CO 0.05 0.80 0.33 -0.78 -0.53 0.00 0.00 176.83 176.69 3hqp h ASP 315 N 0.82 0.91 -0.17 6.23 3.58 -1.38 -0.80 116.42 125.61 3hqp h ASP 315 Ca 0.19 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 3hqp h ASP 315 Cb 0.25 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 3hqp h ASP 315 CO -0.01 0.79 0.01 0.58 -2.88 0.00 0.00 179.24 177.73 3hqp h VAL 316 N 0.96 1.25 -0.62 2.25 2.07 -1.47 -2.24 116.25 118.45 3hqp h VAL 316 Ca 0.24 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3hqp h VAL 316 Cb 0.13 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3hqp h VAL 316 CO -0.03 0.25 0.36 0.00 0.02 0.00 0.00 177.57 178.17 3hqp h ALA 317 N 0.78 0.79 0.00 1.67 0.00 -1.35 -2.80 119.26 118.36 3hqp h ALA 317 Ca 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hqp h ALA 317 Cb 0.37 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hqp h ALA 317 CO 0.01 0.29 -0.02 -0.91 0.00 0.00 0.00 179.25 178.62 3hqp h ASN 318 N 0.84 0.00 -0.29 0.00 2.35 -1.14 -2.04 115.58 115.30 3hqp h ASN 318 Ca 0.22 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.85 3hqp h ASN 318 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3hqp h ASN 318 CO -0.04 0.02 -0.25 0.00 -1.65 0.00 0.00 177.43 175.51 3hqp h ALA 319 N 1.98 0.84 -0.31 -0.83 0.00 -1.14 -0.70 119.26 119.11 3hqp h ALA 319 Ca -0.00 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 3hqp h ALA 319 Cb 0.72 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hqp h ALA 319 CO 0.00 0.64 -0.45 0.28 0.00 0.00 0.00 179.25 179.72 3hqp h VAL 320 N 0.67 1.28 -0.16 0.00 2.07 -1.33 -2.62 116.25 116.16 3hqp h VAL 320 Ca 0.09 -1.64 -0.07 0.00 0.82 0.00 0.00 66.70 65.90 3hqp h VAL 320 Cb 0.77 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3hqp h VAL 320 CO 0.06 0.54 -0.21 -0.26 0.02 0.00 0.00 177.57 177.72 3hqp h PHE 321 N 0.66 0.30 -0.23 1.57 0.04 -1.27 -1.80 116.94 116.20 3hqp h PHE 321 Ca 0.04 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3hqp h PHE 321 Cb 1.03 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 3hqp h PHE 321 CO 0.06 0.47 0.07 -0.91 -0.60 0.00 0.00 178.31 177.40 3hqp h ASN 322 N 0.26 0.29 0.00 2.17 -0.26 -1.04 -3.47 115.58 113.53 3hqp h ASN 322 Ca 0.04 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 3hqp h ASN 322 Cb 0.52 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 3hqp h ASN 322 CO 0.03 0.29 0.00 0.61 -1.06 0.00 0.00 177.43 177.31 3hqp n GLY 323 N -1.26 1.90 3.78 2.83 0.00 -0.68 -4.58 105.19 107.18 3hqp n GLY 323 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 3.13 -0.07 4.61 0.00 -1.00 -4.89 121.76 121.54 3hqp s ALA 324 Ca 0.00 0.66 -0.25 0.00 0.00 0.00 0.00 51.96 52.37 3hqp s ALA 324 Cb 0.00 -3.25 -0.24 0.00 0.00 0.00 0.00 23.12 19.62 3hqp s ALA 324 CO 0.00 -0.12 0.98 -0.44 0.00 0.00 0.00 175.76 176.18 3hqp h ASP 325 N 2.67 0.18 -4.11 0.00 5.19 -1.46 -3.45 116.42 115.45 3hqp h ASP 325 Ca -0.48 -0.82 -0.64 0.00 -0.62 0.00 0.00 57.03 54.47 3hqp h ASP 325 Cb 1.21 -0.06 -0.23 0.00 0.18 0.00 0.00 39.33 40.43 3hqp h ASP 325 CO 0.63 0.98 -0.86 0.00 -3.12 0.00 0.00 179.24 176.88 3hqp s VAL 327 N -1.00 2.97 0.01 0.00 -7.23 -0.31 -1.34 120.40 113.49 3hqp s VAL 327 Ca 0.11 -1.20 0.08 0.00 -1.81 0.00 0.00 61.98 59.16 3hqp s VAL 327 Cb -0.10 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 3hqp s VAL 327 CO 0.04 0.28 -0.24 -0.32 -0.31 0.00 0.00 175.10 174.55 3hqp s MET 328 N -1.63 1.83 -0.14 4.82 1.75 -0.38 -1.41 119.30 124.13 3hqp s MET 328 Ca 0.16 -0.95 -0.02 0.00 -1.25 0.00 0.00 55.69 53.63 3hqp s MET 328 Cb -0.11 -1.86 -0.02 0.00 2.84 0.00 0.00 34.83 35.68 3hqp s MET 328 CO 0.07 0.50 -0.06 -0.51 -0.65 0.00 0.00 175.02 174.37 3hqp s LEU 329 N -0.85 3.11 0.00 4.11 1.43 0.86 -4.19 118.68 123.15 3hqp s LEU 329 Ca 0.10 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3hqp s LEU 329 Cb -0.09 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.39 3hqp s LEU 329 CO 0.00 0.18 0.00 -1.20 0.23 0.00 0.00 176.35 175.56 3hqp n SER 330 N 3.44 0.00 0.12 2.29 7.64 -1.26 -2.12 113.62 123.73 3hqp n SER 330 Ca -0.18 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.72 3hqp n SER 330 Cb 0.53 0.00 0.36 0.00 -1.01 0.00 0.00 64.21 64.08 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 0.24 1.17 0.23 0.00 -1.97 -1.43 103.07 101.30 3hqp h GLY 331 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 47.33 47.29 3hqp h GLY 331 CO 0.00 0.15 0.30 0.83 0.00 0.00 0.00 176.54 177.82 3hqp h GLU 332 N 0.20 0.00 0.00 4.80 3.07 -1.90 -1.16 114.58 119.60 3hqp h GLU 332 Ca 0.04 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.70 3hqp h GLU 332 Cb 0.47 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.34 3hqp h GLU 332 CO 0.03 0.00 -1.83 0.25 -1.40 0.00 0.00 179.01 176.06 3hqp n THR 333 N -4.38 0.76 -0.07 1.13 -2.24 -1.13 -3.72 114.28 104.63 3hqp n THR 333 Ca 0.07 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.22 3hqp n THR 333 Cb 0.49 -0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 68.11 3hqp n THR 333 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hqp h ALA 334 N 0.69 0.30 0.00 6.98 0.00 -1.03 -3.34 119.26 122.87 3hqp h ALA 334 Ca -0.30 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 3hqp h ALA 334 Cb 1.64 -0.08 -0.29 0.00 0.00 0.00 0.00 17.79 19.06 3hqp h ALA 334 CO 0.02 0.11 -0.90 0.36 0.00 0.00 0.00 179.25 178.84 3hqp n LYS 335 N -4.58 0.00 -3.54 0.00 2.85 -0.46 -1.60 118.16 110.84 3hqp n LYS 335 Ca -0.04 -1.74 -0.26 0.00 -1.05 0.00 0.00 58.31 55.21 3hqp n LYS 335 Cb 0.30 -0.11 -0.03 0.00 -0.65 0.00 0.00 35.03 34.54 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 -1.74 1.65 0.34 2.58 0.00 -1.10 -4.96 107.32 104.10 3hqp s GLY 336 Ca 0.25 -0.81 0.18 0.00 0.00 0.00 0.00 44.72 44.35 3hqp s GLY 336 CO -0.13 -0.74 1.64 0.50 0.00 0.00 0.00 173.10 174.37 3hqp h LYS 337 N 1.54 0.00 -2.16 2.90 1.57 -1.39 -3.39 116.57 115.64 3hqp h LYS 337 Ca -0.49 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.71 3hqp h LYS 337 Cb 1.20 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.10 3hqp h LYS 337 CO 0.65 0.41 -0.72 0.66 -0.57 0.00 0.00 179.45 179.89 3hqp n TYR 338 N -3.40 2.83 -0.05 -1.35 4.01 -1.26 -4.95 117.16 112.98 3hqp n TYR 338 Ca 0.01 -4.02 -0.13 0.00 -0.16 0.00 0.00 57.90 53.60 3hqp n TYR 338 Cb 0.59 -0.51 -0.07 0.00 -0.31 0.00 0.00 39.34 39.04 3hqp n TYR 338 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3hqp h PRO 339 N 3.96 0.36 -0.27 -0.72 0.11 -1.77 -2.11 132.00 131.57 3hqp h PRO 339 Ca 0.16 -0.19 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 3hqp h PRO 339 Cb 0.69 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 3hqp h PRO 339 CO 0.75 0.74 0.07 -0.91 -0.21 0.00 0.00 178.00 178.45 3hqp h ASN 340 N -0.02 0.40 -0.24 -2.05 2.35 -1.92 -3.09 115.58 111.02 3hqp h ASN 340 Ca 0.02 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.49 3hqp h ASN 340 Cb 0.68 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3hqp h ASN 340 CO 0.04 0.52 -0.03 -0.33 -1.65 0.00 0.00 177.43 175.98 3hqp h GLU 341 N 0.26 0.57 -0.32 0.81 3.07 -1.95 -1.10 114.58 115.91 3hqp h GLU 341 Ca 0.08 -0.14 -0.11 0.00 -0.50 0.00 0.00 59.36 58.70 3hqp h GLU 341 Cb 0.28 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3hqp h GLU 341 CO 0.00 0.62 -0.26 -0.24 -1.40 0.00 0.00 179.01 177.73 3hqp h VAL 342 N 0.54 1.27 -0.01 3.13 3.04 -1.36 -1.73 116.25 121.12 3hqp h VAL 342 Ca 0.11 -1.34 -0.02 0.00 -1.01 0.00 0.00 66.70 64.43 3hqp h VAL 342 Cb 0.39 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 3hqp h VAL 342 CO 0.02 0.44 -0.08 0.58 -1.01 0.00 0.00 177.57 177.51 3hqp h VAL 343 N 0.55 1.53 -0.62 1.51 2.07 -1.41 -2.47 116.25 117.42 3hqp h VAL 343 Ca 0.08 -1.69 0.12 0.00 0.82 0.00 0.00 66.70 66.03 3hqp h VAL 343 Cb 0.73 2.62 -0.09 0.00 -1.52 0.00 0.00 31.29 33.03 3hqp h VAL 343 CO 0.06 0.45 0.12 1.56 0.02 0.00 0.00 177.57 179.77 3hqp h GLN 344 N -0.58 0.23 -0.02 1.57 4.20 -1.20 0.26 115.11 119.57 3hqp h GLN 344 Ca -0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3hqp h GLN 344 Cb 0.78 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 3hqp h GLN 344 CO 0.02 0.16 0.01 1.88 -0.67 0.00 0.00 178.83 180.23 3hqp h TYR 345 N 0.24 0.03 -0.25 2.96 0.05 -1.39 -0.92 116.97 117.69 3hqp h TYR 345 Ca 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.09 3hqp h TYR 345 Cb 0.50 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 3hqp h TYR 345 CO -0.26 0.04 0.09 1.98 -1.05 0.00 0.00 178.16 178.95 3hqp h MET 346 N 0.01 0.34 -0.28 4.88 4.05 -0.80 0.18 114.93 123.31 3hqp h MET 346 Ca 0.01 -0.04 -0.15 0.00 -0.28 0.00 0.00 59.70 59.24 3hqp h MET 346 Cb 0.01 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.74 3hqp h MET 346 CO -0.00 0.29 -0.41 0.00 0.23 0.00 0.00 176.91 177.03 3hqp h ALA 347 N 1.76 0.43 -0.32 0.39 0.00 -0.37 -2.63 119.26 118.52 3hqp h ALA 347 Ca 0.09 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 3hqp h ALA 347 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hqp h ALA 347 CO -0.01 0.54 -0.23 -0.09 0.00 0.00 0.00 179.25 179.46 3hqp h ARG 348 N 0.52 0.62 -0.18 0.00 2.43 -0.12 -2.46 114.38 115.19 3hqp h ARG 348 Ca 0.03 -0.24 -0.18 0.00 -0.81 0.00 0.00 59.98 58.78 3hqp h ARG 348 Cb 1.00 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3hqp h ARG 348 CO 0.09 0.80 -0.63 0.82 -1.51 0.00 0.00 179.97 179.54 3hqp h ILE 349 N 0.54 1.31 -0.56 1.20 2.04 -0.74 -2.91 117.51 118.40 3hqp h ILE 349 Ca 0.08 -1.89 -0.04 0.00 1.00 0.00 0.00 64.86 64.01 3hqp h ILE 349 Cb 0.68 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 3hqp h ILE 349 CO 0.05 0.59 0.20 0.00 0.00 0.00 0.00 178.15 179.00 3hqp h LEU 351 N 0.78 1.08 -0.31 0.00 3.38 -1.45 -0.21 115.31 118.58 3hqp h LEU 351 Ca 0.19 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 3hqp h LEU 351 Cb 0.24 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3hqp h LEU 351 CO -0.01 0.82 -0.40 -0.08 0.09 0.00 0.00 178.44 178.87 3hqp h GLU 352 N 1.24 0.81 -0.47 1.13 4.57 -1.32 -2.45 114.58 118.09 3hqp h GLU 352 Ca 0.32 -0.46 -0.09 0.00 -1.18 0.00 0.00 59.36 57.95 3hqp h GLU 352 Cb -0.06 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 3hqp h GLU 352 CO -0.06 1.10 -0.07 0.00 -1.18 0.00 0.00 179.01 178.79 3hqp h ALA 353 N 0.71 1.00 -0.38 2.92 0.00 -1.09 -2.73 119.26 119.69 3hqp h ALA 353 Ca 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3hqp h ALA 353 Cb 0.99 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3hqp h ALA 353 CO 0.09 0.60 0.17 0.37 0.00 0.00 0.00 179.25 180.49 3hqp h GLN 354 N 0.75 0.53 -0.31 0.00 4.15 -0.96 -0.08 115.11 119.19 3hqp h GLN 354 Ca 0.13 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 3hqp h GLN 354 Cb 0.55 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 3hqp h GLN 354 CO 0.03 0.42 -0.08 0.77 -1.93 0.00 0.00 178.83 178.05 3hqp h SER 355 N 0.53 0.49 0.45 -0.69 0.02 -1.13 -2.86 113.55 110.35 3hqp h SER 355 Ca 0.13 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3hqp h SER 355 Cb 0.08 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3hqp h SER 355 CO -0.02 0.62 -0.48 0.00 -1.14 0.00 0.00 176.83 175.81 3hqp n ALA 356 N -2.48 3.51 -2.10 3.77 0.00 -0.70 -4.90 120.51 117.61 3hqp n ALA 356 Ca 0.01 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 3hqp n ALA 356 Cb 0.30 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 3hqp n ALA 356 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hqp s LEU 357 N -2.93 4.45 -0.93 0.00 2.96 -0.13 -4.98 118.68 117.12 3hqp s LEU 357 Ca 0.13 2.17 -0.15 0.00 -0.22 0.00 0.00 54.13 56.06 3hqp s LEU 357 Cb 0.18 -3.60 0.20 0.00 0.50 0.00 0.00 46.19 43.46 3hqp s LEU 357 CO 0.68 -0.35 0.98 0.21 -1.32 0.00 0.00 176.35 176.55 3hqp s ASN 358 N 0.19 6.83 0.19 3.68 3.84 -1.26 -4.91 114.94 123.50 3hqp s ASN 358 Ca 0.53 -2.65 -0.10 0.00 0.21 0.00 0.00 52.86 50.85 3hqp s ASN 358 Cb -0.31 -2.28 0.11 0.00 -0.55 0.00 0.00 41.25 38.21 3hqp s ASN 358 CO 0.35 -0.70 1.74 -0.33 -2.79 0.00 0.00 177.10 175.37 3hqp h GLU 359 N 7.89 1.05 -0.40 0.43 3.07 -1.93 -2.66 114.58 122.04 3hqp h GLU 359 Ca 0.15 -0.21 -0.07 0.00 -0.50 0.00 0.00 59.36 58.73 3hqp h GLU 359 Cb 1.00 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 3hqp h GLU 359 CO 0.94 0.89 -0.06 -0.92 -1.40 0.00 0.00 179.01 178.46 3hqp h TYR 360 N 1.00 0.72 -0.04 4.33 3.20 -1.91 0.26 116.97 124.53 3hqp h TYR 360 Ca 0.23 -0.11 -0.16 0.00 3.14 0.00 0.00 58.73 61.83 3hqp h TYR 360 Cb 0.26 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3hqp h TYR 360 CO 0.02 0.72 -0.69 0.28 -1.64 0.00 0.00 178.16 176.85 3hqp h VAL 361 N 0.62 1.43 -0.41 1.81 2.07 -1.94 -2.11 116.25 117.73 3hqp h VAL 361 Ca 0.12 -2.20 -0.03 0.00 0.82 0.00 0.00 66.70 65.41 3hqp h VAL 361 Cb 0.48 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3hqp h VAL 361 CO 0.03 0.64 0.14 0.15 0.02 0.00 0.00 177.57 178.55 3hqp h PHE 362 N 0.13 0.64 -0.38 1.57 3.57 -1.03 0.13 116.94 121.57 3hqp h PHE 362 Ca -0.02 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.45 3hqp h PHE 362 Cb 1.22 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 3hqp h PHE 362 CO 0.02 0.59 0.20 0.35 -2.23 0.00 0.00 178.31 177.24 3hqp h PHE 363 N 0.51 0.36 -0.60 0.41 3.57 -0.93 -1.75 116.94 118.52 3hqp h PHE 363 Ca 0.13 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 3hqp h PHE 363 Cb 0.24 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3hqp h PHE 363 CO 0.01 0.19 0.06 -0.91 -2.23 0.00 0.00 178.31 175.43 3hqp h ASN 364 N 0.40 0.98 -0.39 0.41 2.35 -1.22 -1.97 115.58 116.15 3hqp h ASN 364 Ca 0.16 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 3hqp h ASN 364 Cb 0.06 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3hqp h ASN 364 CO -0.11 1.02 0.15 0.28 -1.65 0.00 0.00 177.43 177.12 3hqp h SER 365 N 0.91 0.54 -0.35 5.81 0.02 -0.59 -2.42 113.55 117.47 3hqp h SER 365 Ca 0.18 -0.17 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 3hqp h SER 365 Cb 0.48 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3hqp h SER 365 CO 0.02 0.56 -0.31 0.40 -1.14 0.00 0.00 176.83 176.36 3hqp h ILE 366 N 0.48 1.28 -0.60 3.27 2.04 -1.31 -3.12 117.51 119.56 3hqp h ILE 366 Ca 0.13 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.51 3hqp h ILE 366 Cb 0.19 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 3hqp h ILE 366 CO -0.01 0.49 0.37 0.50 0.00 0.00 0.00 178.15 179.50 3hqp h LYS 367 N 0.62 0.80 0.00 2.37 3.64 -1.33 -2.80 116.57 119.87 3hqp h LYS 367 Ca 0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hqp h LYS 367 Cb 0.89 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3hqp h LYS 367 CO 0.08 0.56 0.00 1.63 -2.27 0.00 0.00 179.45 179.45 3hqp n LYS 368 N -4.64 0.02 -0.18 1.90 4.01 -0.92 -2.55 118.16 115.81 3hqp n LYS 368 Ca 0.04 0.17 0.11 0.00 -0.51 0.00 0.00 58.31 58.12 3hqp n LYS 368 Cb 0.04 -1.54 0.20 0.00 -0.51 0.00 0.00 35.03 33.22 3hqp n LYS 368 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3hqp n LEU 369 N -1.58 3.34 -4.83 -0.35 4.77 -1.06 -4.97 117.00 112.32 3hqp n LEU 369 Ca 0.05 -1.51 -0.37 0.00 -0.03 0.00 0.00 56.01 54.15 3hqp n LEU 369 Cb 0.25 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3hqp n LEU 369 CO 0.19 0.72 0.28 -1.10 -1.33 0.00 0.00 177.39 176.16 3hqp s GLN 370 N -1.41 4.11 0.31 3.23 -1.52 -1.06 -5.05 119.66 118.28 3hqp s GLN 370 Ca 0.36 0.65 -0.29 0.00 -1.95 0.00 0.00 55.36 54.13 3hqp s GLN 370 Cb 0.21 -3.03 -0.10 0.00 -0.22 0.00 0.00 33.01 29.87 3hqp s GLN 370 CO 0.29 0.52 1.25 -1.58 -0.25 0.00 0.00 175.29 175.52 3hqp s HIS 371 N -1.36 3.20 -0.15 0.91 5.65 -1.26 -5.02 115.29 117.27 3hqp s HIS 371 Ca 0.36 1.48 0.00 0.00 0.25 0.00 0.00 55.06 57.15 3hqp s HIS 371 Cb -0.17 -3.57 -0.01 0.00 -1.18 0.00 0.00 32.58 27.65 3hqp s HIS 371 CO 0.20 -1.51 -0.14 0.42 -0.65 0.00 0.00 174.74 173.05 3hqp s ILE 372 N -1.10 2.82 0.50 0.89 1.01 -1.26 -3.38 121.20 120.67 3hqp s ILE 372 Ca 0.48 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 60.23 3hqp s ILE 372 Cb -0.38 -2.19 -0.08 0.00 0.01 0.00 0.00 42.46 39.82 3hqp s ILE 372 CO 0.49 0.52 0.98 -2.16 0.00 0.00 0.00 174.94 174.77 3hqp s PRO 373 N 0.64 3.96 0.49 2.79 0.04 -1.26 -5.18 135.00 136.48 3hqp s PRO 373 Ca -0.08 1.02 -0.07 0.00 0.04 0.00 0.00 61.00 61.91 3hqp s PRO 373 Cb -0.16 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3hqp s PRO 373 CO 0.02 -0.26 0.82 -1.64 0.04 0.00 0.00 177.00 175.98 3hqp s MET 374 N -3.86 3.59 0.69 4.56 -1.94 -1.22 -5.08 119.30 116.05 3hqp s MET 374 Ca 0.60 0.33 -0.15 0.00 -1.71 0.00 0.00 55.69 54.77 3hqp s MET 374 Cb -0.10 -2.33 0.02 0.00 2.01 0.00 0.00 34.83 34.42 3hqp s MET 374 CO 0.27 -0.23 1.14 -1.54 -0.01 0.00 0.00 175.02 174.65 3hqp s SER 375 N -3.95 4.75 0.25 3.03 1.04 -1.26 -4.85 113.70 112.72 3hqp s SER 375 Ca 0.49 2.10 -0.04 0.00 0.48 0.00 0.00 55.95 58.98 3hqp s SER 375 Cb -0.10 -2.56 0.36 0.00 0.10 0.00 0.00 66.02 63.82 3hqp s SER 375 CO 0.44 -1.87 1.87 0.00 0.98 0.00 0.00 173.24 174.65 3hqp h ALA 376 N -0.16 1.29 -0.52 5.32 0.00 -1.98 -1.36 119.26 121.85 3hqp h ALA 376 Ca -0.47 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 3hqp h ALA 376 Cb 1.26 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3hqp h ALA 376 CO 0.52 0.38 -0.05 0.38 0.00 0.00 0.00 179.25 180.48 3hqp h ASP 377 N 1.10 0.91 -0.03 0.00 2.03 -1.93 -1.79 116.42 116.70 3hqp h ASP 377 Ca 0.40 -0.26 -0.17 0.00 -0.73 0.00 0.00 57.03 56.27 3hqp h ASP 377 Cb 0.14 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 38.40 3hqp h ASP 377 CO -0.17 1.00 -0.55 -0.08 -1.03 0.00 0.00 179.24 178.41 3hqp h GLU 378 N 0.84 0.62 -0.89 4.15 4.81 -1.78 -2.74 114.58 119.59 3hqp h GLU 378 Ca 0.15 -0.39 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3hqp h GLU 378 Cb 0.57 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 3hqp h GLU 378 CO 0.03 1.00 0.55 0.00 -0.73 0.00 0.00 179.01 179.87 3hqp h ALA 379 N 0.92 1.13 -0.55 2.92 0.00 -1.14 -1.21 119.26 121.33 3hqp h ALA 379 Ca 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3hqp h ALA 379 Cb 1.11 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3hqp h ALA 379 CO 0.11 0.57 0.30 0.28 0.00 0.00 0.00 179.25 180.51 3hqp h VAL 380 N 1.22 1.18 -0.32 0.00 2.07 -1.22 -0.95 116.25 118.23 3hqp h VAL 380 Ca 0.32 -0.47 -0.17 0.00 0.82 0.00 0.00 66.70 67.20 3hqp h VAL 380 Cb -0.07 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3hqp h VAL 380 CO -0.06 0.20 -0.48 0.00 0.02 0.00 0.00 177.57 177.25 3hqp h SER 382 N 0.69 1.00 1.19 0.00 0.87 -1.13 -1.46 113.55 114.72 3hqp h SER 382 Ca 0.03 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 3hqp h SER 382 Cb 1.09 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 3hqp h SER 382 CO 0.11 0.98 -0.15 -1.20 -0.53 0.00 0.00 176.83 176.05 3hqp n SER 383 N -4.29 0.59 0.10 6.23 7.64 -0.37 -1.56 113.62 121.96 3hqp n SER 383 Ca 0.04 0.42 -0.23 0.00 1.01 0.00 0.00 58.87 60.11 3hqp n SER 383 Cb 0.26 -0.49 -0.15 0.00 -1.01 0.00 0.00 64.21 62.82 3hqp n SER 383 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hqp h ALA 384 N 2.66 -0.04 -0.43 -0.43 0.00 -0.98 -2.50 119.26 117.54 3hqp h ALA 384 Ca 0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 54.91 53.90 3hqp h ALA 384 Cb 0.67 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3hqp h ALA 384 CO 0.00 0.72 -0.08 0.28 0.00 0.00 0.00 179.25 180.17 3hqp h VAL 385 N -0.00 1.25 -0.89 0.00 2.07 -1.26 -1.41 116.25 116.02 3hqp h VAL 385 Ca -0.26 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.14 3hqp h VAL 385 Cb 2.02 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 3hqp h VAL 385 CO 0.21 0.38 0.56 -1.13 0.02 0.00 0.00 177.57 177.61 3hqp h ASN 386 N 0.69 1.05 -0.49 0.57 -0.73 -1.37 -2.37 115.58 112.93 3hqp h ASN 386 Ca 0.12 -0.05 -0.04 0.00 1.87 0.00 0.00 56.30 58.20 3hqp h ASN 386 Cb 0.55 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.85 3hqp h ASN 386 CO 0.03 0.79 0.16 0.28 -0.37 0.00 0.00 177.43 178.33 3hqp h SER 387 N 1.22 0.74 -0.57 1.15 0.02 -1.03 -1.86 113.55 113.22 3hqp h SER 387 Ca 0.32 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3hqp h SER 387 Cb -0.09 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 3hqp h SER 387 CO -0.06 0.71 0.37 0.58 -1.14 0.00 0.00 176.83 177.28 3hqp h VAL 388 N 0.78 1.16 -0.28 2.27 2.07 -0.77 -0.83 116.25 120.66 3hqp h VAL 388 Ca 0.18 -0.31 -0.17 0.00 0.82 0.00 0.00 66.70 67.22 3hqp h VAL 388 Cb 0.24 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3hqp h VAL 388 CO -0.01 0.15 -0.52 1.88 0.02 0.00 0.00 177.57 179.10 3hqp h TYR 389 N 0.77 0.98 -0.01 1.57 0.05 -1.27 -1.29 116.97 117.78 3hqp h TYR 389 Ca 0.21 -0.34 -0.17 0.00 0.05 0.00 0.00 58.73 58.48 3hqp h TYR 389 Cb -0.07 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.47 3hqp h TYR 389 CO -0.03 1.14 -0.78 0.93 -1.05 0.00 0.00 178.16 178.37 3hqp h GLU 390 N 0.61 0.08 -0.02 4.88 5.08 -1.21 -3.28 114.58 120.72 3hqp h GLU 390 Ca 0.02 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3hqp h GLU 390 Cb 1.10 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3hqp h GLU 390 CO 0.11 0.81 -0.07 -2.37 -1.00 0.00 0.00 179.01 176.50 3hqp n THR 391 N -3.67 0.00 -3.70 1.13 5.66 -0.33 -4.99 114.28 108.38 3hqp n THR 391 Ca -0.02 -0.46 -0.23 0.00 -3.05 0.00 0.00 64.05 60.29 3hqp n THR 391 Cb 0.74 1.36 0.03 0.00 -1.55 0.00 0.00 70.33 70.92 3hqp n THR 391 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3hqp n LYS 392 N 0.86 -3.96 -2.39 1.09 5.02 -0.73 -4.93 118.16 113.11 3hqp n LYS 392 Ca 0.10 0.58 -0.35 0.00 -2.02 0.00 0.00 58.31 56.62 3hqp n LYS 392 Cb 0.46 -4.97 -0.02 0.00 -0.02 0.00 0.00 35.03 30.48 3hqp n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqp s ALA 393 N -3.67 2.85 -0.21 7.82 0.00 -0.57 -4.80 121.76 123.19 3hqp s ALA 393 Ca 0.10 0.75 0.15 0.00 0.00 0.00 0.00 51.96 52.96 3hqp s ALA 393 Cb -0.03 -3.32 -0.21 0.00 0.00 0.00 0.00 23.12 19.57 3hqp s ALA 393 CO 0.83 -0.52 0.41 1.63 0.00 0.00 0.00 175.76 178.10 3hqp n LYS 394 N -0.90 0.97 -3.83 0.00 5.02 -1.10 -4.69 118.16 113.64 3hqp n LYS 394 Ca 0.09 -0.10 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 3hqp n LYS 394 Cb 0.51 -1.30 -0.07 0.00 -0.02 0.00 0.00 35.03 34.15 3hqp n LYS 394 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqp s ALA 395 N -2.83 -0.34 -0.02 7.82 0.00 -1.25 -4.17 121.76 120.96 3hqp s ALA 395 Ca -0.02 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3hqp s ALA 395 Cb 0.10 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.84 3hqp s ALA 395 CO 0.61 -0.57 -0.03 1.41 0.00 0.00 0.00 175.76 177.18 3hqp s MET 396 N -3.87 0.42 -0.13 0.00 1.75 -0.90 -2.57 119.30 113.99 3hqp s MET 396 Ca 0.07 -0.06 0.02 0.00 -1.25 0.00 0.00 55.69 54.46 3hqp s MET 396 Cb 0.04 -0.48 -0.00 0.00 2.84 0.00 0.00 34.83 37.23 3hqp s MET 396 CO -0.09 -0.02 -0.19 0.08 -0.65 0.00 0.00 175.02 174.16 3hqp s VAL 397 N 0.48 2.45 -0.07 10.11 1.01 0.05 0.16 120.40 134.60 3hqp s VAL 397 Ca -0.05 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3hqp s VAL 397 Cb -0.08 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.32 3hqp s VAL 397 CO -0.01 0.54 -0.09 0.68 0.00 0.00 0.00 175.10 176.22 3hqp s VAL 398 N 0.60 0.93 -0.17 2.92 -7.23 0.25 -0.11 120.40 117.58 3hqp s VAL 398 Ca -0.10 -0.33 -0.23 0.00 -1.81 0.00 0.00 61.98 59.51 3hqp s VAL 398 Cb -0.16 -0.89 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 3hqp s VAL 398 CO 0.03 0.32 0.73 -0.76 -0.31 0.00 0.00 175.10 175.11 3hqp s LEU 399 N 0.97 4.18 -0.21 1.32 1.43 -0.90 -0.88 118.68 124.59 3hqp s LEU 399 Ca -0.09 1.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.99 3hqp s LEU 399 Cb -0.15 -3.07 0.10 0.00 0.03 0.00 0.00 46.19 43.11 3hqp s LEU 399 CO 0.00 -0.32 0.36 -0.55 0.23 0.00 0.00 176.35 176.08 3hqp s SER 400 N 1.14 0.16 -0.08 2.29 0.15 -0.84 -4.84 113.70 111.67 3hqp s SER 400 Ca 0.34 0.53 -0.10 0.00 0.70 0.00 0.00 55.95 57.42 3hqp s SER 400 Cb -0.16 1.08 -0.07 0.00 -1.71 0.00 0.00 66.02 65.15 3hqp s SER 400 CO 0.12 -0.27 0.37 0.78 1.20 0.00 0.00 173.24 175.44 3hqp h ASN 401 N 8.21 -0.14 -3.96 5.45 -0.26 -1.96 -3.37 115.58 119.55 3hqp h ASN 401 Ca -0.17 -0.17 -0.44 0.00 -0.56 0.00 0.00 56.30 54.96 3hqp h ASN 401 Cb 1.13 0.03 0.16 0.00 -1.06 0.00 0.00 38.32 38.58 3hqp h ASN 401 CO 0.19 0.42 0.28 0.42 -1.06 0.00 0.00 177.43 177.69 3hqp s THR 402 N -2.33 1.88 -0.45 2.81 -4.23 -1.26 -4.27 115.64 107.81 3hqp s THR 402 Ca -0.06 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.71 3hqp s THR 402 Cb -0.00 -2.74 0.29 0.00 1.34 0.00 0.00 72.50 71.39 3hqp s THR 402 CO 0.21 0.00 1.76 1.23 -0.54 0.00 0.00 174.62 177.29 3hqp h GLY 403 N -1.86 0.00 0.00 3.99 0.00 -1.89 -3.41 103.07 99.89 3hqp h GLY 403 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3hqp h GLY 403 CO 0.47 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.55 3hqp n ARG 404 N -2.43 0.00 -0.27 4.80 1.74 -1.26 -1.41 116.66 117.83 3hqp n ARG 404 Ca 0.03 0.49 -0.02 0.00 -0.77 0.00 0.00 57.85 57.58 3hqp n ARG 404 Cb 0.31 -0.75 0.10 0.00 -1.02 0.00 0.00 32.46 31.09 3hqp n ARG 404 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3hqp h SER 405 N 0.00 0.73 -0.78 0.55 0.02 -1.89 -1.24 113.55 110.94 3hqp h SER 405 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3hqp h SER 405 Cb 0.00 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 3hqp h SER 405 CO 0.00 0.49 0.49 0.00 -1.14 0.00 0.00 176.83 176.67 3hqp h ALA 406 N 1.34 0.99 -0.01 3.77 0.00 -1.54 -0.04 119.26 123.77 3hqp h ALA 406 Ca 0.31 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3hqp h ALA 406 Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hqp h ALA 406 CO -0.14 0.43 -0.49 0.00 0.00 0.00 0.00 179.25 179.06 3hqp h ARG 407 N 1.06 0.02 -0.09 0.00 3.08 -0.84 -0.75 114.38 116.86 3hqp h ARG 407 Ca 0.28 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 60.14 3hqp h ARG 407 Cb -0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3hqp h ARG 407 CO -0.06 0.51 -0.71 1.25 -1.07 0.00 0.00 179.97 179.89 3hqp h LEU 408 N 0.02 0.50 -0.07 3.04 5.85 -0.47 -1.33 115.31 122.85 3hqp h LEU 408 Ca -0.00 -0.32 -0.17 0.00 0.84 0.00 0.00 57.88 58.22 3hqp h LEU 408 Cb 0.87 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.77 3hqp h LEU 408 CO 0.06 1.05 -0.64 0.58 -0.34 0.00 0.00 178.44 179.16 3hqp h VAL 409 N 0.29 1.36 -0.01 1.05 2.07 -0.95 -3.22 116.25 116.85 3hqp h VAL 409 Ca -0.03 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.52 3hqp h VAL 409 Cb 1.28 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 33.36 3hqp h VAL 409 CO 0.12 0.59 0.01 0.00 0.02 0.00 0.00 177.57 178.31 3hqp h ALA 410 N 0.43 1.91 -0.88 1.67 0.00 -1.12 -2.63 119.26 118.64 3hqp h ALA 410 Ca -0.06 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.97 3hqp h ALA 410 Cb 1.30 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 3hqp h ALA 410 CO 0.13 -0.01 0.57 -0.22 0.00 0.00 0.00 179.25 179.72 3hqp h LYS 411 N 0.00 0.75 -0.39 0.00 3.64 -1.24 -2.88 116.57 116.45 3hqp h LYS 411 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3hqp h LYS 411 Cb 0.01 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3hqp h LYS 411 CO -0.00 0.50 0.00 0.66 -2.27 0.00 0.00 179.45 178.34 3hqp n TYR 412 N -4.55 0.51 -3.29 1.91 4.01 -0.99 -4.98 117.16 109.79 3hqp n TYR 412 Ca 0.16 -0.25 -0.18 0.00 -0.16 0.00 0.00 57.90 57.47 3hqp n TYR 412 Cb 0.39 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.43 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 0.85 -1.81 -2.37 -0.72 5.12 -1.09 -4.16 116.66 112.48 3hqp n ARG 413 Ca 0.17 1.47 -0.28 0.00 -1.93 0.00 0.00 57.85 57.28 3hqp n ARG 413 Cb 0.42 -4.00 0.01 0.00 -1.16 0.00 0.00 32.46 27.72 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 -3.22 3.48 0.00 5.56 0.04 -1.26 -4.39 135.00 135.21 3hqp s PRO 414 Ca 0.16 0.34 0.17 0.00 0.04 0.00 0.00 61.00 61.71 3hqp s PRO 414 Cb -0.03 -2.27 0.77 0.00 0.04 0.00 0.00 34.50 33.01 3hqp s PRO 414 CO 0.82 -0.38 1.52 0.27 0.04 0.00 0.00 177.00 179.28 3hqp n ASN 415 N -2.45 0.84 -4.39 6.66 6.94 -1.26 -4.85 115.26 116.75 3hqp n ASN 415 Ca 0.03 -1.65 -0.23 0.00 -0.02 0.00 0.00 54.58 52.70 3hqp n ASN 415 Cb 0.55 -0.07 -0.11 0.00 -2.36 0.00 0.00 39.78 37.80 3hqp n ASN 415 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hqp n PRO 417 N -0.04 1.14 -3.96 0.00 -0.02 -1.26 -4.86 135.00 126.01 3hqp n PRO 417 Ca -0.10 0.44 -0.35 0.00 -2.02 0.00 0.00 63.50 61.47 3hqp n PRO 417 Cb 0.58 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.53 3hqp n PRO 417 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hqp s ILE 418 N -1.41 3.65 -0.34 4.25 1.01 -0.64 -2.13 121.20 125.59 3hqp s ILE 418 Ca 0.78 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.90 3hqp s ILE 418 Cb -0.40 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 3hqp s ILE 418 CO 0.45 0.41 0.22 -0.69 0.00 0.00 0.00 174.94 175.33 3hqp s VAL 419 N 1.34 5.03 -0.23 2.92 1.01 0.12 -0.23 120.40 130.36 3hqp s VAL 419 Ca 0.04 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 3hqp s VAL 419 Cb -0.14 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3hqp s VAL 419 CO -0.01 -0.03 0.29 0.00 0.00 0.00 0.00 175.10 175.36 3hqp s VAL 421 N 1.37 5.28 0.05 0.00 1.01 -0.06 0.09 120.40 128.14 3hqp s VAL 421 Ca 0.13 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.46 3hqp s VAL 421 Cb -0.15 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3hqp s VAL 421 CO 0.07 0.24 -0.17 0.28 0.00 0.00 0.00 175.10 175.52 3hqp s THR 422 N 1.75 1.37 -1.22 3.92 -1.32 -0.01 -1.98 115.64 118.15 3hqp s THR 422 Ca 0.09 -1.15 0.26 0.00 -1.21 0.00 0.00 61.69 59.69 3hqp s THR 422 Cb -0.16 -1.23 0.16 0.00 -1.51 0.00 0.00 72.50 69.76 3hqp s THR 422 CO 0.10 0.05 1.59 0.35 -2.21 0.00 0.00 174.62 174.50 3hqp n THR 423 N 1.74 0.00 -4.31 5.08 -2.24 -1.26 -0.28 114.28 113.01 3hqp n THR 423 Ca -0.18 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.23 3hqp n THR 423 Cb 0.54 0.09 -0.13 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.84 3.57 0.34 -0.78 3.00 -1.26 -4.69 118.95 116.29 3hqp s ARG 424 Ca 0.16 -0.56 0.14 0.00 0.00 0.00 0.00 55.73 55.47 3hqp s ARG 424 Cb 0.18 -2.92 0.61 0.00 0.00 0.00 0.00 34.95 32.82 3hqp s ARG 424 CO 0.61 0.12 1.74 1.25 0.00 0.00 0.00 175.30 179.01 3hqp h LEU 425 N 7.11 0.00 -0.39 2.53 5.85 -1.94 -2.88 115.31 125.58 3hqp h LEU 425 Ca -0.33 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.24 3hqp h LEU 425 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3hqp h LEU 425 CO 0.61 0.45 -0.35 -0.61 -0.34 0.00 0.00 178.44 178.20 3hqp h GLN 426 N 0.00 0.93 -0.83 1.25 4.15 -1.96 -2.90 115.11 115.74 3hqp h GLN 426 Ca -0.00 -0.47 0.12 0.00 0.77 0.00 0.00 58.65 59.06 3hqp h GLN 426 Cb 0.86 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.48 3hqp h GLN 426 CO 0.06 1.13 0.45 1.15 -1.93 0.00 0.00 178.83 179.69 3hqp h THR 427 N 0.75 0.83 -0.24 2.39 2.02 -1.80 0.41 112.91 117.27 3hqp h THR 427 Ca 0.07 -0.25 0.06 0.00 0.77 0.00 0.00 66.41 67.06 3hqp h THR 427 Cb 0.94 0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 3hqp h THR 427 CO 0.09 0.13 -0.18 0.00 0.37 0.00 0.00 175.52 175.93 3hqp h ARG 429 N -0.17 0.69 -0.41 0.00 3.08 -1.04 -3.11 114.38 113.41 3hqp h ARG 429 Ca 0.14 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 3hqp h ARG 429 Cb 0.38 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3hqp h ARG 429 CO -0.34 0.81 -0.00 1.96 -1.07 0.00 0.00 179.97 181.32 3hqp h GLN 430 N 0.50 0.67 0.00 0.04 4.20 -0.09 -2.08 115.11 118.36 3hqp h GLN 430 Ca 0.10 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3hqp h GLN 430 Cb 0.52 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3hqp h GLN 430 CO 0.03 0.69 0.00 1.28 -0.67 0.00 0.00 178.83 180.15 3hqp n LEU 431 N -4.24 0.00 0.07 1.46 4.77 -0.13 -2.77 117.00 116.16 3hqp n LEU 431 Ca 0.02 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.11 3hqp n LEU 431 Cb 0.28 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.80 3hqp n LEU 431 CO 0.40 0.00 0.83 0.59 -1.33 0.00 0.00 177.39 177.88 3hqp n ASN 432 N -0.92 0.42 -1.24 -1.43 3.02 -0.78 -2.16 115.26 112.18 3hqp n ASN 432 Ca 0.13 0.59 0.11 0.00 -0.03 0.00 0.00 54.58 55.37 3hqp n ASN 432 Cb 0.06 -0.68 0.28 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.95 0.89 -4.06 2.41 -5.35 -1.12 -4.80 119.36 105.39 3hqp n ILE 433 Ca 0.03 -0.94 -0.35 0.00 -0.27 0.00 0.00 62.75 61.22 3hqp n ILE 433 Cb 0.25 0.61 -0.12 0.00 -1.74 0.00 0.00 39.64 38.64 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 -1.09 4.18 0.38 7.28 2.01 -0.92 -4.63 115.64 122.85 3hqp s THR 434 Ca 0.44 -0.24 -0.27 0.00 0.31 0.00 0.00 61.69 61.94 3hqp s THR 434 Cb 0.24 -2.89 -0.09 0.00 0.01 0.00 0.00 72.50 69.76 3hqp s THR 434 CO 0.31 0.43 1.29 -1.58 -0.69 0.00 0.00 174.62 174.38 3hqp s GLN 435 N 0.88 4.09 0.00 4.92 -0.44 -1.26 -3.88 119.66 123.97 3hqp s GLN 435 Ca 0.02 2.15 0.00 0.00 -2.50 0.00 0.00 55.36 55.02 3hqp s GLN 435 Cb -0.14 -2.84 0.00 0.00 -1.64 0.00 0.00 33.01 28.38 3hqp s GLN 435 CO 0.02 -0.39 0.00 0.41 0.50 0.00 0.00 175.29 175.84 3hqp n GLY 436 N 0.70 0.52 3.52 2.59 0.00 0.52 -4.85 105.19 108.18 3hqp n GLY 436 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3hqp n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hqp s VAL 437 N -2.29 3.30 -0.08 1.61 1.01 -1.25 -1.62 120.40 121.07 3hqp s VAL 437 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3hqp s VAL 437 Cb 0.00 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 34.07 3hqp s VAL 437 CO 0.00 0.58 -0.16 -1.61 0.00 0.00 0.00 175.10 173.91 3hqp s GLU 438 N -0.81 2.09 -0.18 2.72 2.02 0.68 -4.96 118.70 120.27 3hqp s GLU 438 Ca 0.12 -0.55 -0.13 0.00 0.02 0.00 0.00 54.97 54.44 3hqp s GLU 438 Cb -0.11 -1.67 -0.05 0.00 0.10 0.00 0.00 34.13 32.41 3hqp s GLU 438 CO 0.01 0.07 0.24 -1.12 0.02 0.00 0.00 175.26 174.48 3hqp s SER 439 N 0.58 6.35 -0.11 -0.19 0.01 -1.26 -1.03 113.70 118.04 3hqp s SER 439 Ca -0.16 0.41 -0.01 0.00 1.31 0.00 0.00 55.95 57.50 3hqp s SER 439 Cb -0.16 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 3hqp s SER 439 CO 0.05 0.11 -0.09 -0.69 0.41 0.00 0.00 173.24 173.03 3hqp s VAL 440 N 0.51 3.45 -0.16 3.43 1.01 0.11 -4.96 120.40 123.79 3hqp s VAL 440 Ca 0.14 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 3hqp s VAL 440 Cb -0.12 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 3hqp s VAL 440 CO 0.02 0.54 0.57 0.12 0.00 0.00 0.00 175.10 176.35 3hqp s PHE 441 N -0.03 3.43 -0.28 5.22 5.36 -1.26 -0.83 117.98 129.59 3hqp s PHE 441 Ca -0.01 0.91 -0.04 0.00 -0.96 0.00 0.00 56.93 56.83 3hqp s PHE 441 Cb -0.14 -2.70 0.02 0.00 -0.34 0.00 0.00 43.02 39.87 3hqp s PHE 441 CO 0.03 -0.03 0.02 0.12 -1.46 0.00 0.00 175.22 173.90 3hqp s PHE 442 N 1.36 3.14 -0.96 10.12 5.36 0.61 -4.93 117.98 132.68 3hqp s PHE 442 Ca 0.28 -1.32 -0.24 0.00 -0.96 0.00 0.00 56.93 54.69 3hqp s PHE 442 Cb -0.16 -2.17 0.04 0.00 -0.34 0.00 0.00 43.02 40.39 3hqp s PHE 442 CO 0.11 -0.67 1.45 0.34 -1.46 0.00 0.00 175.22 174.99 3hqp s ASP 443 N 1.40 6.37 0.46 6.13 -1.08 -1.26 -4.15 116.67 124.53 3hqp s ASP 443 Ca 0.00 -1.22 0.22 0.00 -0.52 0.00 0.00 52.55 51.03 3hqp s ASP 443 Cb -0.17 -2.57 1.11 0.00 -1.46 0.00 0.00 42.92 39.83 3hqp s ASP 443 CO -0.00 -1.63 1.95 0.00 0.52 0.00 0.00 175.17 176.00 3hqp h ALA 444 N 9.96 1.28 -0.73 3.66 0.00 -1.84 -2.20 119.26 129.40 3hqp h ALA 444 Ca 0.11 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hqp h ALA 444 Cb 1.02 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3hqp h ALA 444 CO 1.39 0.28 0.48 -0.44 0.00 0.00 0.00 179.25 180.96 3hqp h ASP 445 N 0.00 0.74 -0.01 0.00 5.19 -1.88 -1.03 116.42 119.43 3hqp h ASP 445 Ca -0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3hqp h ASP 445 Cb 0.51 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.85 3hqp h ASP 445 CO 0.03 0.50 -0.00 2.29 -3.12 0.00 0.00 179.24 178.94 3hqp n LYS 446 N -4.46 -0.22 0.00 3.56 2.85 -1.13 -4.63 118.16 114.12 3hqp n LYS 446 Ca 0.10 -0.79 0.00 0.00 -1.05 0.00 0.00 58.31 56.56 3hqp n LYS 446 Cb 0.15 -1.09 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 3hqp n LYS 446 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3hqp n LEU 447 N 0.27 0.05 0.00 -5.58 4.77 -0.84 -5.12 117.00 110.55 3hqp n LEU 447 Ca 0.03 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 3hqp n LEU 447 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3hqp n LEU 447 CO 0.03 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 3hqp n GLY 448 N 0.90 -3.98 0.02 -0.72 0.00 -0.40 -4.69 105.19 96.33 3hqp n GLY 448 Ca 0.00 -2.01 0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.17 0.16 -3.51 1.61 8.25 -1.26 -4.42 115.22 115.87 3hqp n HIS 449 Ca 0.00 0.05 -0.24 0.00 -0.26 0.00 0.00 57.72 57.26 3hqp n HIS 449 Cb 0.00 -0.46 0.05 0.00 1.12 0.00 0.00 29.99 30.69 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 -1.65 -5.91 0.25 0.41 2.03 -1.26 -4.88 116.55 105.54 3hqp n ASP 450 Ca 0.06 -0.85 0.11 0.00 0.52 0.00 0.00 54.79 54.62 3hqp n ASP 450 Cb 0.36 -4.01 0.63 0.00 -0.72 0.00 0.00 41.12 37.38 3hqp n ASP 450 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3hqp h GLU 451 N -1.42 0.00 -0.01 -0.67 9.09 -1.99 -2.13 114.58 117.45 3hqp h GLU 451 Ca -0.60 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.81 3hqp h GLU 451 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 3hqp h GLU 451 CO 0.45 0.17 -0.00 0.41 0.05 0.00 0.00 179.01 180.09 3hqp n GLY 452 N -0.55 -0.50 4.48 1.06 0.00 -1.26 -4.86 105.19 103.56 3hqp n GLY 452 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.42 0.00 0.13 1.61 4.76 -0.80 -4.82 118.16 118.62 3hqp n LYS 453 Ca 0.21 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.66 3hqp n LYS 453 Cb 0.23 -2.77 0.31 0.00 -1.84 0.00 0.00 35.03 30.96 3hqp n LYS 453 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 3hqp h GLU 454 N 0.52 0.16 -0.38 1.97 -0.00 -1.92 -2.22 114.58 112.70 3hqp h GLU 454 Ca 0.00 -0.06 -0.06 0.00 -0.00 0.00 0.00 59.36 59.24 3hqp h GLU 454 Cb 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 28.73 3hqp h GLU 454 CO 0.00 0.47 0.00 0.45 -0.00 0.00 0.00 179.01 179.93 3hqp h HIS 455 N 0.14 0.73 -0.17 2.06 3.86 -1.91 -1.84 115.15 118.02 3hqp h HIS 455 Ca 0.02 -0.13 -0.19 0.00 -1.16 0.00 0.00 60.37 58.91 3hqp h HIS 455 Cb 0.65 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 3hqp h HIS 455 CO 0.01 0.76 -0.66 0.00 0.86 0.00 0.00 177.93 178.90 3hqp h ARG 456 N 0.50 0.63 -0.06 2.45 3.08 -1.91 -2.93 114.38 116.15 3hqp h ARG 456 Ca 0.11 -0.46 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 3hqp h ARG 456 Cb 0.46 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3hqp h ARG 456 CO 0.02 1.08 0.02 0.28 -1.07 0.00 0.00 179.97 180.30 3hqp h VAL 457 N 0.46 1.13 -0.60 2.04 2.07 -1.41 -2.65 116.25 117.29 3hqp h VAL 457 Ca -0.02 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.16 3hqp h VAL 457 Cb 1.24 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 3hqp h VAL 457 CO 0.13 0.11 0.40 0.00 0.02 0.00 0.00 177.57 178.23 3hqp h ALA 458 N 0.87 1.80 -0.39 1.67 0.00 -1.38 -1.65 119.26 120.18 3hqp h ALA 458 Ca 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3hqp h ALA 458 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hqp h ALA 458 CO -0.00 0.10 -0.24 0.00 0.00 0.00 0.00 179.25 179.11 3hqp h ALA 459 N 1.67 0.83 -0.37 0.00 0.00 -1.37 -1.58 119.26 118.44 3hqp h ALA 459 Ca 0.26 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3hqp h ALA 459 Cb 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hqp h ALA 459 CO -0.08 0.64 -0.33 0.78 0.00 0.00 0.00 179.25 180.27 3hqp h GLY 460 N 0.95 0.95 1.07 0.00 0.00 -0.99 -2.27 103.07 102.76 3hqp h GLY 460 Ca 0.09 -0.95 -0.09 0.00 0.00 0.00 0.00 47.33 46.38 3hqp h GLY 460 CO 0.06 0.86 0.05 -2.08 0.00 0.00 0.00 176.54 175.43 3hqp h VAL 461 N 0.67 1.26 -0.79 4.60 2.07 -1.31 -2.07 116.25 120.68 3hqp h VAL 461 Ca 0.06 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 3hqp h VAL 461 Cb 0.91 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3hqp h VAL 461 CO 0.08 0.40 0.35 -0.08 0.02 0.00 0.00 177.57 178.35 3hqp h GLU 462 N 0.97 1.16 -0.70 1.57 4.57 -1.25 0.83 114.58 121.72 3hqp h GLU 462 Ca 0.18 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 3hqp h GLU 462 Cb 0.50 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3hqp h GLU 462 CO 0.02 0.91 0.21 0.35 -1.18 0.00 0.00 179.01 179.33 3hqp h PHE 463 N 1.14 1.14 -0.23 0.92 3.57 -1.26 -0.89 116.94 121.33 3hqp h PHE 463 Ca 0.27 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 3hqp h PHE 463 Cb 0.16 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3hqp h PHE 463 CO 0.02 0.91 -0.26 0.00 -2.23 0.00 0.00 178.31 176.75 3hqp h ALA 464 N 1.10 1.13 -0.52 2.41 0.00 -0.93 -2.35 119.26 120.10 3hqp h ALA 464 Ca 0.23 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3hqp h ALA 464 Cb 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3hqp h ALA 464 CO -0.01 0.55 -0.14 0.87 0.00 0.00 0.00 179.25 180.52 3hqp h LYS 465 N 0.39 1.01 0.00 0.00 1.79 -0.53 -1.39 116.57 117.85 3hqp h LYS 465 Ca 0.06 -0.39 -0.02 0.00 -2.18 0.00 0.00 60.65 58.12 3hqp h LYS 465 Cb 0.66 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 3hqp h LYS 465 CO 0.05 1.08 -0.08 0.66 -1.08 0.00 0.00 179.45 180.07 3hqp h SER 466 N 0.89 0.00 0.15 0.86 4.64 -1.04 -3.08 113.55 115.98 3hqp h SER 466 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3hqp h SER 466 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3hqp h SER 466 CO 0.05 0.08 -0.32 0.29 -0.87 0.00 0.00 176.83 176.07 3hqp n LYS 467 N -3.14 0.99 -1.00 4.77 4.76 -0.90 -4.95 118.16 118.69 3hqp n LYS 467 Ca 0.02 -0.68 -0.00 0.00 -2.87 0.00 0.00 58.31 54.79 3hqp n LYS 467 Cb 0.49 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 32.19 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 1.36 0.47 0.26 0.72 0.00 -1.12 -4.94 105.19 101.95 3hqp n GLY 468 Ca 0.11 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 1.07 -4.08 1.61 0.05 -1.52 -3.45 116.97 110.66 3hqp h TYR 469 Ca -0.00 -0.29 -0.42 0.00 0.05 0.00 0.00 58.73 58.07 3hqp h TYR 469 Cb 0.04 -0.24 -0.27 0.00 1.01 0.00 0.00 36.73 37.27 3hqp h TYR 469 CO 0.02 1.10 -0.79 0.14 -1.05 0.00 0.00 178.16 177.58 3hqp s VAL 470 N -4.54 0.90 0.27 -2.88 -7.23 -1.14 -4.62 120.40 101.15 3hqp s VAL 470 Ca -0.12 -0.62 0.12 0.00 -1.81 0.00 0.00 61.98 59.55 3hqp s VAL 470 Cb 0.11 -0.78 -0.05 0.00 0.56 0.00 0.00 36.38 36.22 3hqp s VAL 470 CO 0.86 0.16 -0.20 -1.10 -0.31 0.00 0.00 175.10 174.51 3hqp s GLN 471 N -0.53 1.69 -0.39 4.82 1.11 -1.26 -4.34 119.66 120.76 3hqp s GLN 471 Ca 0.03 -1.71 -0.45 0.00 0.01 0.00 0.00 55.36 53.24 3hqp s GLN 471 Cb -0.05 -1.80 -0.19 0.00 -1.01 0.00 0.00 33.01 29.95 3hqp s GLN 471 CO 0.00 0.34 1.54 2.41 0.01 0.00 0.00 175.29 179.59 3hqp n THR 472 N -0.49 0.04 0.00 -0.19 -1.04 -1.26 -1.69 114.28 109.64 3hqp n THR 472 Ca -0.06 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3hqp n THR 472 Cb 0.59 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 3hqp n THR 472 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hqp n GLY 473 N 3.63 1.02 3.98 3.41 0.00 -0.66 -4.99 105.19 111.57 3hqp n GLY 473 Ca 0.29 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 3hqp n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hqp s ASP 474 N -2.00 6.12 -0.11 1.61 1.01 -0.68 -4.90 116.67 117.71 3hqp s ASP 474 Ca 0.00 -0.02 -0.15 0.00 0.71 0.00 0.00 52.55 53.10 3hqp s ASP 474 Cb 0.00 -1.55 -0.05 0.00 1.01 0.00 0.00 42.92 42.34 3hqp s ASP 474 CO 0.00 -0.30 0.35 -0.31 0.21 0.00 0.00 175.17 175.12 3hqp s TYR 475 N -2.13 3.54 -0.10 4.23 2.02 -1.26 -1.43 117.35 122.23 3hqp s TYR 475 Ca 0.41 0.75 0.04 0.00 -0.37 0.00 0.00 57.07 57.90 3hqp s TYR 475 Cb -0.09 -2.36 0.00 0.00 -0.40 0.00 0.00 41.96 39.11 3hqp s TYR 475 CO 0.31 0.35 -0.23 0.00 -1.57 0.00 0.00 175.55 174.41 3hqp s VAL 477 N 0.37 5.21 -0.15 0.00 1.01 -1.06 -1.32 120.40 124.46 3hqp s VAL 477 Ca -0.18 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 3hqp s VAL 477 Cb -0.18 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3hqp s VAL 477 CO 0.08 0.12 -0.11 -0.69 0.00 0.00 0.00 175.10 174.51 3hqp s VAL 478 N 1.98 3.22 -0.13 2.92 1.01 -0.22 -0.77 120.40 128.41 3hqp s VAL 478 Ca 0.12 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.54 3hqp s VAL 478 Cb -0.16 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.85 3hqp s VAL 478 CO 0.11 0.51 -0.22 -0.63 0.00 0.00 0.00 175.10 174.86 3hqp s ILE 479 N 0.50 2.02 0.00 2.22 1.01 0.84 -1.30 121.20 126.48 3hqp s ILE 479 Ca -0.08 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.61 3hqp s ILE 479 Cb -0.15 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.54 3hqp s ILE 479 CO 0.04 0.54 0.00 0.00 0.00 0.00 0.00 174.94 175.52 3hqp n HIS 480 N 3.97 0.00 -3.63 3.97 1.44 -0.88 -2.12 115.22 117.97 3hqp n HIS 480 Ca -0.20 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 4.04 1.00 1.59 0.00 -1.26 -0.88 121.76 125.24 3hqp s ALA 481 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.36 3hqp s ALA 481 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.75 3hqp s ALA 481 CO 0.00 -0.04 0.00 -0.40 0.00 0.00 0.00 175.76 175.32 3hqp n ASP 482 N -1.51 -0.09 0.04 0.00 5.68 -1.26 -4.86 116.55 114.55 3hqp n ASP 482 Ca -0.00 -0.20 -0.01 0.00 -0.50 0.00 0.00 54.79 54.08 3hqp n ASP 482 Cb 0.59 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.86 3hqp n ASP 482 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 3hqp h HIS 483 N -0.43 0.44 0.00 2.11 2.07 -1.98 -3.38 115.15 113.98 3hqp h HIS 483 Ca 0.00 -0.07 -0.33 0.00 -2.85 0.00 0.00 60.37 57.12 3hqp h HIS 483 Cb 0.00 -0.12 -0.05 0.00 2.57 0.00 0.00 27.41 29.81 3hqp h HIS 483 CO 0.00 0.55 -1.81 1.17 -3.07 0.00 0.00 177.93 174.77 3hqp n LYS 484 N -4.21 0.57 -2.00 5.12 4.81 -1.26 -4.97 118.16 116.23 3hqp n LYS 484 Ca 0.00 0.44 -0.42 0.00 -0.87 0.00 0.00 58.31 57.46 3hqp n LYS 484 Cb 0.32 -1.64 -0.03 0.00 0.02 0.00 0.00 35.03 33.70 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 -2.43 3.17 -0.15 3.15 1.01 -1.26 -5.02 120.40 118.88 3hqp s VAL 485 Ca -0.33 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.29 3hqp s VAL 485 Cb 0.10 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 3hqp s VAL 485 CO 0.54 0.00 -0.16 -0.54 0.00 0.00 0.00 175.10 174.94 3hqp s LYS 486 N 2.45 3.20 0.00 2.72 -0.14 -1.26 -4.69 119.74 122.03 3hqp s LYS 486 Ca 0.71 -0.76 0.00 0.00 -1.36 0.00 0.00 55.97 54.56 3hqp s LYS 486 Cb -0.38 -2.59 0.00 0.00 -1.68 0.00 0.00 37.83 33.18 3hqp s LYS 486 CO 0.31 0.05 0.00 0.41 -0.76 0.00 0.00 175.35 175.35 3hqp n GLY 487 N 3.97 1.25 3.67 -3.33 0.00 -1.26 -5.09 105.19 104.40 3hqp n GLY 487 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 3hqp n GLY 487 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hqp s TYR 488 N -1.07 0.15 -0.35 1.61 -0.85 -1.26 -5.10 117.35 110.48 3hqp s TYR 488 Ca 0.00 -0.54 -0.20 0.00 -0.52 0.00 0.00 57.07 55.81 3hqp s TYR 488 Cb 0.00 0.37 -0.00 0.00 0.38 0.00 0.00 41.96 42.71 3hqp s TYR 488 CO 0.00 -1.06 0.62 0.00 -1.52 0.00 0.00 175.55 173.59 3hqp s ALA 489 N -3.97 3.47 -1.14 9.51 0.00 -1.26 -4.41 121.76 123.96 3hqp s ALA 489 Ca 0.18 -0.83 0.11 0.00 0.00 0.00 0.00 51.96 51.42 3hqp s ALA 489 Cb -0.02 -3.14 0.25 0.00 0.00 0.00 0.00 23.12 20.20 3hqp s ALA 489 CO 0.07 -1.28 1.14 0.27 0.00 0.00 0.00 175.76 175.96 3hqp n ASN 490 N 5.98 2.64 -3.83 0.00 2.04 -1.03 -4.34 115.26 116.71 3hqp n ASN 490 Ca -0.02 -1.83 -0.19 0.00 -0.44 0.00 0.00 54.58 52.11 3hqp n ASN 490 Cb 0.49 -0.16 -0.16 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 -0.99 0.53 0.06 -3.83 0.74 -0.06 -4.91 119.66 111.19 3hqp s GLN 491 Ca 0.21 0.02 0.05 0.00 0.05 0.00 0.00 55.36 55.69 3hqp s GLN 491 Cb 0.12 -0.68 -0.04 0.00 1.10 0.00 0.00 33.01 33.51 3hqp s GLN 491 CO 0.16 -0.14 -0.04 0.95 -0.55 0.00 0.00 175.29 175.66 3hqp s THR 492 N 1.14 3.76 -0.08 -0.34 -4.23 -1.26 -2.07 115.64 112.56 3hqp s THR 492 Ca -0.08 -0.96 -0.03 0.00 -1.18 0.00 0.00 61.69 59.44 3hqp s THR 492 Cb -0.14 -2.73 0.04 0.00 1.34 0.00 0.00 72.50 71.02 3hqp s THR 492 CO -0.02 0.22 0.17 0.00 -0.54 0.00 0.00 174.62 174.45 3hqp s ARG 493 N -1.96 0.09 -0.73 3.99 1.70 -0.42 -4.99 118.95 116.63 3hqp s ARG 493 Ca 0.22 0.47 -0.21 0.00 -0.47 0.00 0.00 55.73 55.74 3hqp s ARG 493 Cb -0.11 -0.20 0.09 0.00 -0.57 0.00 0.00 34.95 34.16 3hqp s ARG 493 CO 0.13 -0.22 0.98 0.42 -1.08 0.00 0.00 175.30 175.53 3hqp s ILE 494 N 1.63 4.50 0.12 4.99 1.01 -1.26 -1.05 121.20 131.14 3hqp s ILE 494 Ca -0.05 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.85 3hqp s ILE 494 Cb -0.12 -4.69 -0.04 0.00 0.01 0.00 0.00 42.46 37.63 3hqp s ILE 494 CO -0.06 -1.43 0.12 -1.48 0.00 0.00 0.00 174.94 172.09 3hqp s LEU 495 N 3.50 3.86 -0.16 2.97 0.05 -0.43 -4.93 118.68 123.53 3hqp s LEU 495 Ca 0.24 -0.04 -0.15 0.00 0.05 0.00 0.00 54.13 54.23 3hqp s LEU 495 Cb -0.14 -2.50 -0.04 0.00 -2.05 0.00 0.00 46.19 41.45 3hqp s LEU 495 CO 0.04 0.12 0.35 -0.22 -0.55 0.00 0.00 176.35 176.09 3hqp s LEU 496 N -2.76 4.22 0.37 1.48 2.96 -1.26 -1.17 118.68 122.52 3hqp s LEU 496 Ca 0.31 0.56 -0.24 0.00 -0.22 0.00 0.00 54.13 54.53 3hqp s LEU 496 Cb -0.11 -2.47 -0.10 0.00 0.50 0.00 0.00 46.19 44.01 3hqp s LEU 496 CO 0.23 0.03 0.97 0.68 -1.32 0.00 0.00 176.35 176.94 3hqp s VAL 497 N 0.74 4.15 0.00 1.68 -7.23 -0.51 -4.94 120.40 114.28 3hqp s VAL 497 Ca 0.19 1.63 0.00 0.00 -1.81 0.00 0.00 61.98 61.98 3hqp s VAL 497 Cb -0.14 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 32.97 3hqp s VAL 497 CO 0.06 -0.01 0.32 -0.62 -0.31 0.00 0.00 175.10 174.54