#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqp h GLN 2 N 0.00 0.73 -0.20 4.33 5.75 -2.06 -3.20 115.11 120.46 3hqp h GLN 2 Ca 0.00 -0.47 -0.13 0.00 -0.15 0.00 0.00 58.65 57.90 3hqp h GLN 2 Cb 0.00 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 3hqp h GLN 2 CO 0.00 1.10 -0.42 1.25 -2.65 0.00 0.00 178.83 178.10 3hqp h LEU 3 N 0.45 0.51 -0.73 -2.39 6.46 -2.07 -3.01 115.31 114.53 3hqp h LEU 3 Ca 0.01 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.51 3hqp h LEU 3 Cb 1.08 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.86 3hqp h LEU 3 CO 0.10 0.87 -0.14 0.00 -0.62 0.00 0.00 178.44 178.66 3hqp h ALA 4 N 1.15 0.96 0.02 1.25 0.00 -2.02 -3.18 119.26 117.44 3hqp h ALA 4 Ca 0.03 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 3hqp h ALA 4 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hqp h ALA 4 CO 0.08 0.17 -0.98 1.25 0.00 0.00 0.00 179.25 179.77 3hqp h HIS 5 N 0.00 0.59 0.00 0.00 -0.00 -1.52 -3.28 115.15 110.94 3hqp h HIS 5 Ca -0.00 -0.34 -0.03 0.00 -0.00 0.00 0.00 60.37 60.00 3hqp h HIS 5 Cb 0.85 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 28.19 3hqp h HIS 5 CO 0.00 1.17 -0.14 -0.91 -0.00 0.00 0.00 177.93 178.05 3hqp h ASN 6 N 0.21 0.00 1.16 3.26 2.35 -1.53 -2.79 115.58 118.24 3hqp h ASN 6 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3hqp h ASN 6 Cb 1.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.00 3hqp h ASN 6 CO 0.17 0.14 -0.15 0.18 -1.65 0.00 0.00 177.43 176.12 3hqp n LEU 7 N -3.43 0.56 -0.04 1.61 4.77 -1.24 -3.53 117.00 115.70 3hqp n LEU 7 Ca -0.01 0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 56.29 3hqp n LEU 7 Cb 0.32 -0.34 -0.14 0.00 -2.33 0.00 0.00 43.42 40.93 3hqp n LEU 7 CO 0.30 -0.09 -0.78 0.35 -1.33 0.00 0.00 177.39 175.85 3hqp n THR 8 N -1.98 1.60 -1.71 -5.08 -2.24 -1.07 -4.98 114.28 98.82 3hqp n THR 8 Ca 0.06 -0.76 -0.42 0.00 -2.27 0.00 0.00 64.05 60.65 3hqp n THR 8 Cb 0.40 -1.12 -0.01 0.00 -2.10 0.00 0.00 70.33 67.50 3hqp n THR 8 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hqp n LEU 9 N -3.11 3.73 -4.21 3.22 4.77 -1.15 -5.03 117.00 115.22 3hqp n LEU 9 Ca -0.26 1.20 -0.24 0.00 -0.03 0.00 0.00 56.01 56.69 3hqp n LEU 9 Cb 1.07 -1.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 3hqp n LEU 9 CO 0.43 -0.36 -0.50 -0.55 -1.33 0.00 0.00 177.39 175.07 3hqp s SER 10 N -0.19 2.21 0.30 -1.43 0.15 -1.26 -5.05 113.70 108.42 3hqp s SER 10 Ca 0.57 -0.48 0.21 0.00 0.70 0.00 0.00 55.95 56.94 3hqp s SER 10 Cb -0.56 -0.18 0.14 0.00 -1.71 0.00 0.00 66.02 63.71 3hqp s SER 10 CO 0.61 0.13 1.31 0.16 1.20 0.00 0.00 173.24 176.65 3hqp h ILE 11 N 4.43 0.18 -0.00 6.45 3.07 -2.01 -3.32 117.51 126.31 3hqp h ILE 11 Ca -0.41 -1.29 0.00 0.00 1.55 0.00 0.00 64.86 64.72 3hqp h ILE 11 Cb 1.16 1.90 0.00 0.00 -0.27 0.00 0.00 36.82 39.61 3hqp h ILE 11 CO 0.44 0.10 -0.05 0.49 -1.05 0.00 0.00 178.15 178.09 3hqp n PHE 12 N -2.96 0.00 -2.32 0.16 3.72 -1.26 -4.89 117.46 109.92 3hqp n PHE 12 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 3hqp n PHE 12 Cb 0.60 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.66 3hqp n PHE 12 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hqp s ASP 13 N -2.95 7.04 0.36 4.37 1.01 -1.25 -4.99 116.67 120.26 3hqp s ASP 13 Ca 0.15 2.42 -0.28 0.00 0.71 0.00 0.00 52.55 55.55 3hqp s ASP 13 Cb 0.19 -2.63 -0.11 0.00 1.01 0.00 0.00 42.92 41.38 3hqp s ASP 13 CO 0.54 -0.34 1.44 -2.84 0.21 0.00 0.00 175.17 174.18 3hqp s PRO 14 N -1.26 4.17 0.97 8.23 0.02 -1.26 -5.01 135.00 140.87 3hqp s PRO 14 Ca 0.48 2.48 -0.13 0.00 0.02 0.00 0.00 61.00 63.85 3hqp s PRO 14 Cb -0.35 -3.00 0.17 0.00 0.02 0.00 0.00 34.50 31.35 3hqp s PRO 14 CO 0.44 -0.45 1.12 0.14 -0.33 0.00 0.00 177.00 177.93 3hqp s VAL 15 N -1.09 1.97 0.57 3.83 -7.23 -1.26 -5.02 120.40 112.16 3hqp s VAL 15 Ca 0.52 0.00 -0.20 0.00 -1.81 0.00 0.00 61.98 60.49 3hqp s VAL 15 Cb -0.45 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 3hqp s VAL 15 CO 0.60 0.00 1.21 0.00 -0.31 0.00 0.00 175.10 176.61 3hqp s ALA 16 N -3.16 2.65 -2.00 1.32 0.00 -1.26 -4.93 121.76 114.37 3hqp s ALA 16 Ca 0.65 1.03 0.02 0.00 0.00 0.00 0.00 51.96 53.66 3hqp s ALA 16 Cb -0.16 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.58 3hqp s ALA 16 CO 0.55 -1.09 1.05 0.27 0.00 0.00 0.00 175.76 176.54 3hqp n ASN 17 N -1.35 0.36 -3.65 0.00 2.04 -1.26 -4.78 115.26 106.61 3hqp n ASN 17 Ca 0.12 -2.00 -0.15 0.00 -0.44 0.00 0.00 54.58 52.12 3hqp n ASN 17 Cb 0.49 -0.04 -0.07 0.00 -2.53 0.00 0.00 39.78 37.62 3hqp n ASN 17 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 3hqp s TYR 18 N -1.91 -0.36 -0.22 -2.53 -0.85 -1.26 -5.09 117.35 105.12 3hqp s TYR 18 Ca 0.04 0.53 -0.07 0.00 -0.52 0.00 0.00 57.07 57.06 3hqp s TYR 18 Cb 0.02 0.24 -0.03 0.00 0.38 0.00 0.00 41.96 42.57 3hqp s TYR 18 CO 0.03 -0.52 0.06 0.50 -1.52 0.00 0.00 175.55 174.10 3hqp s ARG 19 N -1.63 3.74 -0.08 -3.49 3.52 -1.26 -5.00 118.95 114.75 3hqp s ARG 19 Ca -0.10 -0.45 -0.26 0.00 -0.13 0.00 0.00 55.73 54.79 3hqp s ARG 19 Cb -0.02 -3.26 -0.25 0.00 -1.56 0.00 0.00 34.95 29.86 3hqp s ARG 19 CO 0.04 -0.03 0.93 0.00 -0.81 0.00 0.00 175.30 175.43 3hqp h ALA 20 N 7.69 0.00 -2.76 6.12 0.00 -1.94 -3.43 119.26 124.94 3hqp h ALA 20 Ca -0.37 -0.48 -0.52 0.00 0.00 0.00 0.00 54.91 53.54 3hqp h ALA 20 Cb 1.18 0.02 0.09 0.00 0.00 0.00 0.00 17.79 19.07 3hqp h ALA 20 CO 0.61 0.05 0.49 0.00 0.00 0.00 0.00 179.25 180.40 3hqp s ALA 21 N -2.78 2.80 -0.09 0.00 0.00 -1.26 -0.24 121.76 120.19 3hqp s ALA 21 Ca -0.17 1.00 0.03 0.00 0.00 0.00 0.00 51.96 52.82 3hqp s ALA 21 Cb -0.01 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3hqp s ALA 21 CO 0.72 -0.91 -0.18 1.03 0.00 0.00 0.00 175.76 176.43 3hqp s ARG 22 N -2.98 2.91 -0.18 0.00 1.81 -0.81 -4.92 118.95 114.77 3hqp s ARG 22 Ca 0.70 -0.77 -0.12 0.00 -1.72 0.00 0.00 55.73 53.81 3hqp s ARG 22 Cb -0.30 -2.40 -0.05 0.00 -0.45 0.00 0.00 34.95 31.75 3hqp s ARG 22 CO 0.35 0.36 0.24 0.42 -0.68 0.00 0.00 175.30 175.98 3hqp s ILE 23 N -0.05 5.34 -0.14 1.52 1.01 -1.26 -2.33 121.20 125.29 3hqp s ILE 23 Ca -0.04 0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.99 3hqp s ILE 23 Cb -0.14 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 3hqp s ILE 23 CO 0.04 0.39 -0.06 -0.63 0.00 0.00 0.00 174.94 174.69 3hqp s ILE 24 N 0.55 3.73 -0.01 2.92 1.01 -0.94 -1.36 121.20 127.09 3hqp s ILE 24 Ca 0.13 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.42 3hqp s ILE 24 Cb -0.12 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 3hqp s ILE 24 CO 0.02 0.52 -0.20 0.00 0.00 0.00 0.00 174.94 175.27 3hqp s THR 26 N -0.51 4.81 -0.35 0.00 -4.23 -1.00 -0.39 115.64 113.96 3hqp s THR 26 Ca 0.08 1.04 -0.09 0.00 -1.18 0.00 0.00 61.69 61.54 3hqp s THR 26 Cb -0.08 -3.82 0.03 0.00 1.34 0.00 0.00 72.50 69.97 3hqp s THR 26 CO -0.00 0.44 0.16 -0.63 -0.54 0.00 0.00 174.62 174.04 3hqp s ILE 27 N -1.24 4.21 0.00 2.99 -1.09 -0.74 -3.34 121.20 121.98 3hqp s ILE 27 Ca 0.32 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.78 3hqp s ILE 27 Cb -0.17 -3.35 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 3hqp s ILE 27 CO 0.18 -0.19 0.00 0.61 -1.23 0.00 0.00 174.94 174.32 3hqp n GLY 28 N 4.91 6.01 0.35 6.18 0.00 -1.26 -4.80 105.19 116.58 3hqp n GLY 28 Ca -0.12 -1.63 0.16 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.81 -2.07 132.00 129.85 3hqp h PRO 29 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3hqp h PRO 29 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3hqp h PRO 29 CO 0.00 0.00 -1.33 0.43 -0.21 0.00 0.00 178.00 176.89 3hqp n SER 30 N -3.03 0.65 -0.54 -2.05 7.64 0.25 -4.59 113.62 111.96 3hqp n SER 30 Ca -0.00 -0.64 0.02 0.00 1.01 0.00 0.00 58.87 59.26 3hqp n SER 30 Cb 0.45 1.32 0.02 0.00 -1.01 0.00 0.00 64.21 64.99 3hqp n SER 30 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3hqp n THR 31 N -1.77 0.24 0.08 0.44 -2.24 -0.85 -4.88 114.28 105.30 3hqp n THR 31 Ca 0.01 -0.38 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 3hqp n THR 31 Cb 0.41 0.45 -0.08 0.00 -2.10 0.00 0.00 70.33 69.02 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 0.10 0.14 -7.04 -0.78 4.15 -1.64 -3.38 115.11 106.65 3hqp h GLN 32 Ca -0.02 -0.20 -0.54 0.00 0.77 0.00 0.00 58.65 58.67 3hqp h GLN 32 Cb 1.39 0.07 0.11 0.00 0.21 0.00 0.00 27.48 29.26 3hqp h GLN 32 CO 0.01 1.03 0.56 -1.54 -1.93 0.00 0.00 178.83 176.95 3hqp s SER 33 N -6.91 5.50 0.55 -0.69 1.04 -1.26 -4.74 113.70 107.19 3hqp s SER 33 Ca -0.02 2.59 0.23 0.00 0.48 0.00 0.00 55.95 59.24 3hqp s SER 33 Cb 0.09 -2.62 1.54 0.00 0.10 0.00 0.00 66.02 65.14 3hqp s SER 33 CO 0.84 -1.40 2.19 1.62 0.98 0.00 0.00 173.24 177.47 3hqp h VAL 34 N 1.48 0.75 0.00 5.02 3.04 -1.90 -1.19 116.25 123.46 3hqp h VAL 34 Ca -0.50 -0.07 -0.23 0.00 -1.01 0.00 0.00 66.70 64.89 3hqp h VAL 34 Cb 1.29 1.04 -0.03 0.00 -2.01 0.00 0.00 31.29 31.57 3hqp h VAL 34 CO 0.58 0.02 -1.17 -0.08 -1.01 0.00 0.00 177.57 175.91 3hqp h GLU 35 N 0.00 0.00 0.00 4.17 4.57 -1.93 -2.78 114.58 118.61 3hqp h GLU 35 Ca -0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 3hqp h GLU 35 Cb 0.04 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3hqp h GLU 35 CO 0.00 0.83 -0.52 0.00 -1.18 0.00 0.00 179.01 178.15 3hqp h ALA 36 N 1.03 0.69 0.00 2.92 0.00 -1.70 -3.00 119.26 119.20 3hqp h ALA 36 Ca -0.08 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.20 3hqp h ALA 36 Cb 1.81 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 3hqp h ALA 36 CO 0.11 0.65 -0.72 -0.07 0.00 0.00 0.00 179.25 179.22 3hqp h LEU 37 N 0.00 0.00 -0.46 0.00 3.38 -1.29 -2.64 115.31 114.30 3hqp h LEU 37 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 3hqp h LEU 37 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3hqp h LEU 37 CO 0.07 0.72 -0.40 0.11 0.09 0.00 0.00 178.44 179.03 3hqp h LYS 38 N 0.00 0.85 0.00 1.13 1.57 -1.46 -2.50 116.57 116.16 3hqp h LYS 38 Ca -0.01 -0.45 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 3hqp h LYS 38 Cb 1.33 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 3hqp h LYS 38 CO 0.09 1.09 -0.21 0.78 -0.57 0.00 0.00 179.45 180.64 3hqp h GLY 39 N 0.85 0.00 1.31 3.86 0.00 -1.55 -2.42 103.07 105.12 3hqp h GLY 39 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.11 3hqp h GLY 39 CO 0.09 0.00 -1.13 -2.00 0.00 0.00 0.00 176.54 173.50 3hqp h LEU 40 N 0.00 0.80 -0.35 3.11 5.85 -1.35 -1.95 115.31 121.42 3hqp h LEU 40 Ca -0.00 -0.70 -0.09 0.00 0.84 0.00 0.00 57.88 57.93 3hqp h LEU 40 Cb 0.81 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3hqp h LEU 40 CO 0.03 1.50 -0.12 0.40 -0.34 0.00 0.00 178.44 179.91 3hqp h ILE 41 N 0.29 1.28 0.00 4.05 2.04 -1.43 -1.48 117.51 122.27 3hqp h ILE 41 Ca -0.15 -1.21 -0.05 0.00 1.00 0.00 0.00 64.86 64.45 3hqp h ILE 41 Cb 1.79 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 3hqp h ILE 41 CO 0.21 0.40 -0.24 1.56 0.00 0.00 0.00 178.15 180.08 3hqp h GLN 42 N 0.48 0.00 -0.17 2.37 4.20 -1.49 -1.91 115.11 118.59 3hqp h GLN 42 Ca 0.08 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.66 3hqp h GLN 42 Cb 0.64 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3hqp h GLN 42 CO 0.04 0.24 -0.47 0.77 -0.67 0.00 0.00 178.83 178.74 3hqp h SER 43 N 0.00 0.46 0.00 1.46 0.02 -1.23 -3.47 113.55 110.79 3hqp h SER 43 Ca -0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3hqp h SER 43 Cb 0.43 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3hqp h SER 43 CO 0.03 0.87 0.00 0.61 -1.14 0.00 0.00 176.83 177.20 3hqp n GLY 44 N 0.06 0.41 3.80 -3.77 0.00 -0.72 -4.13 105.19 100.83 3hqp n GLY 44 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 4.07 0.00 1.61 0.00 -0.61 -4.41 119.30 119.95 3hqp s MET 45 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 55.69 56.98 3hqp s MET 45 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 34.83 32.59 3hqp s MET 45 CO 0.00 -0.19 0.00 0.43 0.00 0.00 0.00 175.02 175.26 3hqp n SER 46 N -0.60 3.14 -4.04 1.11 7.64 -0.47 -4.75 113.62 115.66 3hqp n SER 46 Ca 0.07 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.72 3hqp n SER 46 Cb 0.52 0.19 -0.16 0.00 -1.01 0.00 0.00 64.21 63.76 3hqp n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hqp s VAL 47 N -1.69 1.03 -0.42 0.44 1.01 -1.08 -2.07 120.40 117.62 3hqp s VAL 47 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3hqp s VAL 47 Cb 0.00 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.54 3hqp s VAL 47 CO 0.00 0.31 0.27 0.00 0.00 0.00 0.00 175.10 175.68 3hqp s ALA 48 N 0.28 3.32 0.05 5.51 0.00 -0.65 -0.95 121.76 129.32 3hqp s ALA 48 Ca -0.06 -2.10 -0.25 0.00 0.00 0.00 0.00 51.96 49.54 3hqp s ALA 48 Cb -0.11 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.26 3hqp s ALA 48 CO 0.02 -1.63 0.77 0.50 0.00 0.00 0.00 175.76 175.41 3hqp s ARG 49 N 1.46 4.50 -0.32 0.00 3.52 0.48 -1.82 118.95 126.77 3hqp s ARG 49 Ca 0.03 1.08 -0.02 0.00 -0.13 0.00 0.00 55.73 56.69 3hqp s ARG 49 Cb -0.23 -3.37 0.06 0.00 -1.56 0.00 0.00 34.95 29.86 3hqp s ARG 49 CO 0.03 0.28 0.03 -1.64 -0.81 0.00 0.00 175.30 173.19 3hqp s MET 50 N -0.04 2.33 -0.36 5.12 -1.94 -0.43 -1.80 119.30 122.19 3hqp s MET 50 Ca 0.39 -1.37 -0.29 0.00 -1.71 0.00 0.00 55.69 52.71 3hqp s MET 50 Cb -0.21 -3.24 0.00 0.00 2.01 0.00 0.00 34.83 33.40 3hqp s MET 50 CO 0.23 -0.69 1.38 1.21 -0.01 0.00 0.00 175.02 177.13 3hqp s ASN 51 N 1.32 6.47 -0.12 3.03 3.84 -1.26 -0.50 114.94 127.73 3hqp s ASN 51 Ca -0.03 1.02 0.08 0.00 0.21 0.00 0.00 52.86 54.14 3hqp s ASN 51 Cb -0.20 -2.54 0.43 0.00 -0.55 0.00 0.00 41.25 38.39 3hqp s ASN 51 CO -0.02 -1.28 1.16 0.49 -2.79 0.00 0.00 177.10 174.66 3hqp n PHE 52 N 8.32 1.07 0.09 0.43 3.01 -0.38 -3.10 117.46 126.89 3hqp n PHE 52 Ca 0.16 -0.37 0.11 0.00 1.01 0.00 0.00 57.45 58.36 3hqp n PHE 52 Cb 0.47 -0.30 -0.05 0.00 -0.01 0.00 0.00 39.48 39.59 3hqp n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3hqp n SER 53 N 0.34 0.60 -4.43 4.37 7.64 -1.26 -4.58 113.62 116.31 3hqp n SER 53 Ca 0.14 0.22 -0.25 0.00 1.01 0.00 0.00 58.87 59.99 3hqp n SER 53 Cb 0.73 0.89 -0.11 0.00 -1.01 0.00 0.00 64.21 64.71 3hqp n SER 53 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3hqp s HIS 54 N -3.40 2.23 0.00 1.43 3.76 -1.18 -5.05 115.29 113.08 3hqp s HIS 54 Ca -0.02 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 3hqp s HIS 54 Cb 0.11 -1.06 0.00 0.00 1.11 0.00 0.00 32.58 32.74 3hqp s HIS 54 CO 0.82 0.55 0.00 0.41 -0.85 0.00 0.00 174.74 175.67 3hqp n GLY 55 N -0.04 -0.11 3.48 -2.22 0.00 -1.26 -4.89 105.19 100.16 3hqp n GLY 55 Ca -0.10 -1.03 -0.09 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 -0.12 0.28 1.61 1.04 -1.26 -4.99 113.70 106.26 3hqp s SER 56 Ca 0.00 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.71 3hqp s SER 56 Cb 0.00 0.53 0.51 0.00 0.10 0.00 0.00 66.02 67.16 3hqp s SER 56 CO 0.00 -1.03 1.85 0.45 0.98 0.00 0.00 173.24 175.49 3hqp h HIS 57 N 2.33 1.17 -0.53 5.02 -0.00 -1.99 0.34 115.15 121.48 3hqp h HIS 57 Ca -0.29 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.08 3hqp h HIS 57 Cb 1.25 -0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 28.26 3hqp h HIS 57 CO 0.38 0.51 0.22 1.49 -0.00 0.00 0.00 177.93 180.52 3hqp h GLU 58 N 1.06 0.79 -0.42 2.45 4.81 -2.01 -2.82 114.58 118.44 3hqp h GLU 58 Ca 0.48 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3hqp h GLU 58 Cb 0.39 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3hqp h GLU 58 CO -0.24 0.69 0.17 -0.92 -0.73 0.00 0.00 179.01 177.98 3hqp h TYR 59 N 0.72 0.65 0.00 0.92 3.20 -1.58 -2.93 116.97 117.95 3hqp h TYR 59 Ca 0.18 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3hqp h TYR 59 Cb 0.19 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3hqp h TYR 59 CO 0.01 0.57 0.00 0.72 -1.64 0.00 0.00 178.16 177.81 3hqp n HIS 60 N -4.62 0.72 -0.07 -3.82 8.25 -0.03 -2.57 115.22 113.08 3hqp n HIS 60 Ca 0.00 0.25 -0.13 0.00 -0.26 0.00 0.00 57.72 57.59 3hqp n HIS 60 Cb 0.15 -0.91 -0.06 0.00 1.12 0.00 0.00 29.99 30.29 3hqp n HIS 60 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 3hqp h GLN 61 N 0.00 0.48 -0.91 -0.41 5.75 -1.30 -0.32 115.11 118.40 3hqp h GLN 61 Ca 0.00 -0.24 0.08 0.00 -0.15 0.00 0.00 58.65 58.34 3hqp h GLN 61 Cb 0.48 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.97 3hqp h GLN 61 CO 0.00 0.81 0.59 1.15 -2.65 0.00 0.00 178.83 178.73 3hqp h THR 62 N 0.16 1.01 0.10 2.39 2.02 -1.51 0.19 112.91 117.27 3hqp h THR 62 Ca 0.04 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 3hqp h THR 62 Cb 0.71 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3hqp h THR 62 CO 0.04 0.18 -0.05 0.74 0.37 0.00 0.00 175.52 176.80 3hqp h THR 63 N 0.96 0.98 -0.22 3.16 2.02 -1.42 -1.95 112.91 116.44 3hqp h THR 63 Ca 0.41 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 67.31 3hqp h THR 63 Cb 0.32 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 3hqp h THR 63 CO -0.17 0.08 -0.00 0.40 0.37 0.00 0.00 175.52 176.20 3hqp h ILE 64 N -0.28 0.85 -0.61 3.11 2.04 -0.24 -1.65 117.51 120.73 3hqp h ILE 64 Ca -0.01 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 3hqp h ILE 64 Cb 0.23 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3hqp h ILE 64 CO 0.02 0.01 0.14 0.78 0.00 0.00 0.00 178.15 179.10 3hqp h ASN 65 N 0.07 0.93 0.43 1.72 4.21 -0.68 -2.73 115.58 119.53 3hqp h ASN 65 Ca 0.10 -0.24 -0.16 0.00 1.21 0.00 0.00 56.30 57.21 3hqp h ASN 65 Cb 0.13 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.07 3hqp h ASN 65 CO -0.17 0.93 -0.68 0.78 -1.29 0.00 0.00 177.43 177.00 3hqp h ASN 66 N 0.89 0.27 -0.16 5.81 2.35 -1.24 -1.73 115.58 121.76 3hqp h ASN 66 Ca 0.19 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3hqp h ASN 66 Cb 0.37 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3hqp h ASN 66 CO 0.00 0.87 0.08 0.58 -1.65 0.00 0.00 177.43 177.31 3hqp h VAL 67 N 0.16 1.12 -0.12 2.81 2.07 -1.25 -0.68 116.25 120.36 3hqp h VAL 67 Ca -0.02 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 3hqp h VAL 67 Cb 1.22 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3hqp h VAL 67 CO 0.11 0.12 -0.35 0.03 0.02 0.00 0.00 177.57 177.49 3hqp h ARG 68 N 0.14 0.25 -0.16 1.57 3.08 -1.45 -1.46 114.38 116.35 3hqp h ARG 68 Ca 0.06 -0.10 -0.19 0.00 0.07 0.00 0.00 59.98 59.82 3hqp h ARG 68 Cb 0.11 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.16 3hqp h ARG 68 CO -0.01 0.57 -0.63 0.37 -1.07 0.00 0.00 179.97 179.21 3hqp h GLN 69 N 0.21 0.70 0.00 0.04 4.15 -1.22 -2.49 115.11 116.50 3hqp h GLN 69 Ca 0.03 -0.54 -0.06 0.00 0.77 0.00 0.00 58.65 58.84 3hqp h GLN 69 Cb 0.72 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 3hqp h GLN 69 CO 0.05 1.16 -0.29 0.00 -1.93 0.00 0.00 178.83 177.82 3hqp h ALA 70 N 0.54 1.28 -0.15 3.38 0.00 -1.01 -2.76 119.26 120.56 3hqp h ALA 70 Ca -0.03 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 3hqp h ALA 70 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hqp h ALA 70 CO 0.13 0.37 -0.49 0.00 0.00 0.00 0.00 179.25 179.26 3hqp h ALA 71 N 1.71 0.26 0.00 0.00 0.00 -1.21 -3.11 119.26 116.90 3hqp h ALA 71 Ca -0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 3hqp h ALA 71 Cb 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hqp h ALA 71 CO 0.04 0.43 -0.56 0.00 0.00 0.00 0.00 179.25 179.15 3hqp h ALA 72 N 0.53 1.02 -0.03 0.00 0.00 -1.35 0.95 119.26 120.39 3hqp h ALA 72 Ca -0.02 -0.51 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 3hqp h ALA 72 Cb 1.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3hqp h ALA 72 CO 0.10 0.70 -0.81 0.93 0.00 0.00 0.00 179.25 180.18 3hqp h GLU 73 N 0.00 0.28 0.00 0.00 5.08 -1.58 -3.30 114.58 115.06 3hqp h GLU 73 Ca -0.01 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 3hqp h GLU 73 Cb 1.03 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 3hqp h GLU 73 CO 0.07 0.95 -1.48 1.28 -1.00 0.00 0.00 179.01 178.83 3hqp n LEU 74 N -3.75 0.62 -0.50 1.33 4.77 -1.18 -5.01 117.00 113.29 3hqp n LEU 74 Ca -0.04 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3hqp n LEU 74 Cb 0.76 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 3hqp n LEU 74 CO 0.48 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3hqp n GLY 75 N 1.33 0.89 3.45 -0.72 0.00 0.23 -5.09 105.19 105.28 3hqp n GLY 75 Ca -0.07 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.85 1.30 -0.21 1.61 -7.23 -0.57 -5.04 120.40 107.41 3hqp s VAL 76 Ca 0.00 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 3hqp s VAL 76 Cb 0.00 -2.74 0.03 0.00 0.56 0.00 0.00 36.38 34.24 3hqp s VAL 76 CO 0.00 -0.06 -0.17 0.20 -0.31 0.00 0.00 175.10 174.76 3hqp s ASN 77 N -3.49 3.54 -0.12 4.85 0.01 -1.26 -4.53 114.94 113.95 3hqp s ASN 77 Ca 0.35 -0.89 0.01 0.00 -0.71 0.00 0.00 52.86 51.62 3hqp s ASN 77 Cb 0.08 -1.49 -0.01 0.00 0.41 0.00 0.00 41.25 40.23 3hqp s ASN 77 CO 0.15 -0.06 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.89 3hqp s ILE 78 N 1.24 2.89 0.39 0.60 -1.09 -1.26 -4.70 121.20 119.27 3hqp s ILE 78 Ca 0.00 -0.73 -0.27 0.00 -2.23 0.00 0.00 60.65 57.43 3hqp s ILE 78 Cb -0.15 -2.19 -0.09 0.00 -1.58 0.00 0.00 42.46 38.45 3hqp s ILE 78 CO -0.10 0.54 1.33 0.00 -1.23 0.00 0.00 174.94 175.47 3hqp s ALA 79 N 0.24 3.34 -0.50 9.38 0.00 -0.88 -4.90 121.76 128.45 3hqp s ALA 79 Ca -0.10 1.28 -0.07 0.00 0.00 0.00 0.00 51.96 53.07 3hqp s ALA 79 Cb -0.16 -3.50 0.13 0.00 0.00 0.00 0.00 23.12 19.59 3hqp s ALA 79 CO 0.06 -0.83 0.34 0.42 0.00 0.00 0.00 175.76 175.75 3hqp s ILE 80 N -1.22 3.97 -0.12 0.00 1.01 -1.26 -1.64 121.20 121.94 3hqp s ILE 80 Ca 0.55 -2.06 -0.08 0.00 0.00 0.00 0.00 60.65 59.06 3hqp s ILE 80 Cb -0.39 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3hqp s ILE 80 CO 0.51 -0.78 0.16 0.00 0.00 0.00 0.00 174.94 174.84 3hqp s ALA 81 N 1.04 3.83 -0.19 9.38 0.00 -0.76 -0.91 121.76 134.16 3hqp s ALA 81 Ca 0.09 -0.61 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 3hqp s ALA 81 Cb -0.24 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 20.85 3hqp s ALA 81 CO -0.02 0.53 -0.16 -1.17 0.00 0.00 0.00 175.76 174.94 3hqp s LEU 82 N -0.79 2.35 -0.40 0.00 0.20 -0.67 -1.32 118.68 118.05 3hqp s LEU 82 Ca 0.15 -0.59 -0.15 0.00 0.69 0.00 0.00 54.13 54.23 3hqp s LEU 82 Cb -0.12 -1.55 0.01 0.00 -0.43 0.00 0.00 46.19 44.10 3hqp s LEU 82 CO 0.04 -0.01 0.32 -0.62 -0.29 0.00 0.00 176.35 175.79 3hqp s ASP 83 N 1.34 6.12 0.82 3.68 -1.08 0.35 0.20 116.67 128.10 3hqp s ASP 83 Ca 0.05 -0.77 -0.11 0.00 -0.52 0.00 0.00 52.55 51.20 3hqp s ASP 83 Cb -0.13 -2.17 0.09 0.00 -1.46 0.00 0.00 42.92 39.24 3hqp s ASP 83 CO -0.10 -0.45 1.12 -0.89 0.52 0.00 0.00 175.17 175.37 3hqp s THR 84 N 1.79 2.76 -0.04 1.71 2.01 -0.77 -1.25 115.64 121.86 3hqp s THR 84 Ca 0.07 0.26 -0.21 0.00 0.31 0.00 0.00 61.69 62.12 3hqp s THR 84 Cb -0.18 -2.58 -0.15 0.00 0.01 0.00 0.00 72.50 69.60 3hqp s THR 84 CO 0.11 -0.31 0.91 0.11 -0.69 0.00 0.00 174.62 174.75 3hqp h LYS 85 N -1.28 -0.31 0.00 4.92 1.57 -1.88 -3.38 116.57 116.21 3hqp h LYS 85 Ca -0.44 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3hqp h LYS 85 Cb 1.25 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 3hqp h LYS 85 CO 0.48 0.05 -0.00 0.41 -0.57 0.00 0.00 179.45 179.82 3hqp n GLY 86 N 0.36 -1.46 3.08 3.86 0.00 -1.26 -4.08 105.19 105.69 3hqp n GLY 86 Ca -0.08 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.10 1.67 -4.31 1.61 -0.04 -1.26 -4.89 135.00 126.67 3hqp n PRO 87 Ca 0.00 -1.96 -0.23 0.00 -0.04 0.00 0.00 63.50 61.27 3hqp n PRO 87 Cb 0.00 -2.99 -0.08 0.00 -0.04 0.00 0.00 33.50 30.39 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 4.84 2.19 -0.12 0.54 -1.05 -1.26 -4.94 118.70 118.90 3hqp s GLU 88 Ca 0.57 -1.51 0.02 0.00 -0.15 0.00 0.00 54.97 53.89 3hqp s GLU 88 Cb 0.14 -2.08 -0.00 0.00 -0.44 0.00 0.00 34.13 31.75 3hqp s GLU 88 CO 0.10 0.32 -0.20 0.42 0.95 0.00 0.00 175.26 176.84 3hqp s ILE 89 N -2.38 2.35 0.33 1.83 1.01 -1.26 -4.98 121.20 118.10 3hqp s ILE 89 Ca 0.32 -0.90 0.09 0.00 0.00 0.00 0.00 60.65 60.16 3hqp s ILE 89 Cb -0.05 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 3hqp s ILE 89 CO 0.19 0.54 -0.01 -0.13 0.00 0.00 0.00 174.94 175.54 3hqp s ARG 90 N 0.51 2.06 0.00 2.79 1.81 -1.26 -1.99 118.95 122.86 3hqp s ARG 90 Ca -0.13 -1.73 0.00 0.00 -1.72 0.00 0.00 55.73 52.15 3hqp s ARG 90 Cb -0.17 -1.93 0.00 0.00 -0.45 0.00 0.00 34.95 32.40 3hqp s ARG 90 CO 0.05 0.17 0.00 0.25 -0.68 0.00 0.00 175.30 175.09 3hqp n THR 91 N -0.92 0.00 -1.83 0.02 -2.24 -0.76 -1.18 114.28 107.37 3hqp n THR 91 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3hqp n THR 91 Cb 0.62 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 3.22 -1.71 3.83 3.38 0.00 -1.24 -3.56 105.19 109.11 3hqp n GLY 92 Ca 0.00 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 3hqp n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hqp s GLN 93 N -1.54 4.13 0.11 1.61 -0.21 -0.44 -0.19 119.66 123.13 3hqp s GLN 93 Ca 0.00 0.97 0.10 0.00 0.02 0.00 0.00 55.36 56.45 3hqp s GLN 93 Cb 0.00 -2.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.73 3hqp s GLN 93 CO 0.00 -0.01 -0.26 -0.06 -2.12 0.00 0.00 175.29 172.84 3hqp s PHE 94 N -2.18 2.22 -0.20 0.91 0.08 -1.26 -2.86 117.98 114.69 3hqp s PHE 94 Ca 0.59 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.96 3hqp s PHE 94 Cb -0.09 -1.22 -0.02 0.00 -0.57 0.00 0.00 43.02 41.11 3hqp s PHE 94 CO 0.17 0.29 1.40 0.08 -0.10 0.00 0.00 175.22 177.05 3hqp s VAL 95 N -1.04 4.03 0.00 -0.44 1.01 0.48 -2.62 120.40 121.82 3hqp s VAL 95 Ca 0.12 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.31 3hqp s VAL 95 Cb -0.10 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3hqp s VAL 95 CO 0.05 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.51 3hqp n GLY 96 N 4.09 2.98 0.00 4.51 0.00 -1.26 -4.51 105.19 111.00 3hqp n GLY 96 Ca 0.16 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 3.44 3.32 -0.02 0.00 -1.08 -5.12 105.19 105.74 3hqp n GLY 97 Ca 0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 3hqp n GLY 97 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hqp s ASP 98 N -0.03 1.43 0.01 1.61 -4.77 -1.26 -2.98 116.67 110.68 3hqp s ASP 98 Ca 0.00 -1.68 0.03 0.00 -3.30 0.00 0.00 52.55 47.60 3hqp s ASP 98 Cb 0.00 0.57 -0.01 0.00 -1.09 0.00 0.00 42.92 42.38 3hqp s ASP 98 CO 0.00 -1.10 -0.10 0.00 0.70 0.00 0.00 175.17 174.67 3hqp s ALA 99 N -3.41 0.87 -0.42 2.11 0.00 -0.02 -4.65 121.76 116.24 3hqp s ALA 99 Ca 0.39 -0.54 -0.19 0.00 0.00 0.00 0.00 51.96 51.62 3hqp s ALA 99 Cb 0.02 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.98 3hqp s ALA 99 CO 0.25 0.18 0.54 0.08 0.00 0.00 0.00 175.76 176.82 3hqp s VAL 100 N -0.47 4.96 -0.13 0.00 1.01 -1.26 -2.15 120.40 122.36 3hqp s VAL 100 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 3hqp s VAL 100 Cb -0.05 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3hqp s VAL 100 CO 0.00 -0.47 -0.02 -0.04 0.00 0.00 0.00 175.10 174.57 3hqp s MET 101 N 2.48 3.41 0.16 2.72 -1.94 -0.99 -4.79 119.30 120.35 3hqp s MET 101 Ca 0.18 -0.47 0.08 0.00 -1.71 0.00 0.00 55.69 53.77 3hqp s MET 101 Cb -0.15 -2.88 -0.04 0.00 2.01 0.00 0.00 34.83 33.77 3hqp s MET 101 CO 0.16 0.42 -0.18 -1.21 -0.01 0.00 0.00 175.02 174.20 3hqp s GLU 102 N -0.11 1.24 -0.12 2.03 2.02 -1.26 -1.09 118.70 121.42 3hqp s GLU 102 Ca 0.03 -1.39 -0.29 0.00 0.02 0.00 0.00 54.97 53.34 3hqp s GLU 102 Cb -0.13 -1.27 -0.06 0.00 0.10 0.00 0.00 34.13 32.77 3hqp s GLU 102 CO 0.02 0.26 1.87 0.50 0.02 0.00 0.00 175.26 177.93 3hqp s ARG 103 N -2.79 3.81 -0.25 1.61 3.52 -1.26 -3.10 118.95 120.49 3hqp s ARG 103 Ca 0.15 2.11 -0.00 0.00 -0.13 0.00 0.00 55.73 57.86 3hqp s ARG 103 Cb -0.06 -4.14 -0.00 0.00 -1.56 0.00 0.00 34.95 29.19 3hqp s ARG 103 CO 0.06 -1.31 0.21 0.41 -0.81 0.00 0.00 175.30 173.86 3hqp n GLY 104 N 4.80 0.31 3.36 8.12 0.00 0.63 -4.97 105.19 117.44 3hqp n GLY 104 Ca 0.21 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.08 2.17 -0.25 4.61 0.00 -1.18 -4.97 121.76 119.07 3hqp s ALA 105 Ca 0.01 -1.57 -0.10 0.00 0.00 0.00 0.00 51.96 50.31 3hqp s ALA 105 Cb -0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 3hqp s ALA 105 CO 0.15 0.26 0.15 -0.08 0.00 0.00 0.00 175.76 176.24 3hqp s THR 106 N -2.11 5.15 0.24 0.00 -1.32 -1.26 -2.14 115.64 114.20 3hqp s THR 106 Ca 0.19 0.11 -0.07 0.00 -1.21 0.00 0.00 61.69 60.70 3hqp s THR 106 Cb -0.06 -3.41 -0.02 0.00 -1.51 0.00 0.00 72.50 67.51 3hqp s THR 106 CO 0.08 0.33 0.35 0.00 -2.21 0.00 0.00 174.62 173.17 3hqp s TYR 108 N -3.98 1.18 -0.08 0.00 2.02 0.13 -1.43 117.35 115.19 3hqp s TYR 108 Ca 0.30 -0.49 0.03 0.00 -0.37 0.00 0.00 57.07 56.53 3hqp s TYR 108 Cb 0.02 -0.66 0.01 0.00 -0.40 0.00 0.00 41.96 40.93 3hqp s TYR 108 CO 0.11 0.05 -0.17 0.14 -1.57 0.00 0.00 175.55 174.12 3hqp s VAL 109 N -1.49 1.48 0.23 0.71 -7.23 -1.07 -2.63 120.40 110.40 3hqp s VAL 109 Ca -0.01 -0.68 0.10 0.00 -1.81 0.00 0.00 61.98 59.58 3hqp s VAL 109 Cb -0.09 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 3hqp s VAL 109 CO 0.02 0.43 -0.08 0.28 -0.31 0.00 0.00 175.10 175.45 3hqp s THR 110 N 0.53 3.17 -1.57 5.32 -1.32 0.36 -1.60 115.64 120.53 3hqp s THR 110 Ca -0.16 -1.90 0.14 0.00 -1.21 0.00 0.00 61.69 58.56 3hqp s THR 110 Cb -0.17 -2.64 0.17 0.00 -1.51 0.00 0.00 72.50 68.36 3hqp s THR 110 CO 0.06 -0.27 1.03 0.41 -2.21 0.00 0.00 174.62 173.63 3hqp n THR 111 N -0.47 0.24 -2.40 5.08 -1.04 -1.18 -1.67 114.28 112.85 3hqp n THR 111 Ca -0.08 -0.62 -0.43 0.00 -2.04 0.00 0.00 64.05 60.88 3hqp n THR 111 Cb 0.58 1.09 -0.02 0.00 -1.82 0.00 0.00 70.33 70.16 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 -1.11 6.78 0.00 8.00 3.68 -1.26 -4.91 116.67 127.85 3hqp s ASP 112 Ca 0.19 1.48 0.11 0.00 2.13 0.00 0.00 52.55 56.46 3hqp s ASP 112 Cb 0.12 -2.54 0.56 0.00 -1.45 0.00 0.00 42.92 39.61 3hqp s ASP 112 CO 0.18 -0.94 1.26 -2.65 0.13 0.00 0.00 175.17 173.15 3hqp n PRO 113 N 7.01 0.15 0.22 4.34 -0.02 -1.26 -2.32 135.00 143.11 3hqp n PRO 113 Ca 0.15 0.19 0.10 0.00 -2.02 0.00 0.00 63.50 61.91 3hqp n PRO 113 Cb 0.46 -1.50 0.37 0.00 -0.02 0.00 0.00 33.50 32.80 3hqp n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqp h ALA 114 N 2.52 0.95 -0.66 3.55 0.00 -2.00 -3.10 119.26 120.52 3hqp h ALA 114 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3hqp h ALA 114 Cb 0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3hqp h ALA 114 CO 0.00 0.26 0.14 1.19 0.00 0.00 0.00 179.25 180.84 3hqp n PHE 115 N -3.27 2.28 0.02 0.00 3.01 -0.98 -4.47 117.46 114.05 3hqp n PHE 115 Ca 0.01 -0.99 -0.08 0.00 1.01 0.00 0.00 57.45 57.40 3hqp n PHE 115 Cb 0.48 -0.61 0.08 0.00 -0.01 0.00 0.00 39.48 39.43 3hqp n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hqp h ALA 116 N 3.26 0.77 0.00 4.37 0.00 -1.71 -3.24 119.26 122.71 3hqp h ALA 116 Ca 0.14 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hqp h ALA 116 Cb 2.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.87 3hqp h ALA 116 CO 0.62 0.68 -1.89 -0.40 0.00 0.00 0.00 179.25 178.26 3hqp n ASP 117 N -3.96 0.17 -4.30 0.00 5.68 -1.26 -1.33 116.55 111.54 3hqp n ASP 117 Ca -0.03 -0.09 -0.46 0.00 -0.50 0.00 0.00 54.79 53.71 3hqp n ASP 117 Cb 0.58 1.89 -0.03 0.00 -1.14 0.00 0.00 41.12 42.42 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 -3.44 3.47 -0.03 0.11 1.02 -1.22 -4.49 119.74 115.16 3hqp s LYS 118 Ca -0.06 -2.44 0.04 0.00 0.02 0.00 0.00 55.97 53.53 3hqp s LYS 118 Cb 0.14 -4.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.09 3hqp s LYS 118 CO 0.89 -1.28 -0.16 0.20 -0.92 0.00 0.00 175.35 174.08 3hqp s GLY 119 N 2.07 0.82 0.36 -3.33 0.00 -1.13 -4.66 107.32 101.45 3hqp s GLY 119 Ca 0.17 -0.65 0.07 0.00 0.00 0.00 0.00 44.72 44.32 3hqp s GLY 119 CO -0.08 -0.40 0.26 -0.51 0.00 0.00 0.00 173.10 172.38 3hqp s THR 120 N -0.09 0.10 0.42 0.90 -4.23 -0.43 -0.39 115.64 111.92 3hqp s THR 120 Ca -0.00 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 3hqp s THR 120 Cb -0.09 -2.45 0.21 0.00 1.34 0.00 0.00 72.50 71.50 3hqp s THR 120 CO 0.01 0.00 1.99 0.07 -0.54 0.00 0.00 174.62 176.15 3hqp h LYS 121 N 2.02 0.28 0.13 3.99 2.10 -1.90 -3.19 116.57 120.01 3hqp h LYS 121 Ca -0.26 -0.04 -0.30 0.00 -2.00 0.00 0.00 60.65 58.05 3hqp h LYS 121 Cb 1.24 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3hqp h LYS 121 CO 0.39 0.31 -1.44 -0.44 -2.00 0.00 0.00 179.45 176.26 3hqp h ASP 122 N 0.28 0.44 -2.94 7.07 3.32 -1.90 -3.43 116.42 119.26 3hqp h ASP 122 Ca 0.07 -0.55 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 3hqp h ASP 122 Cb 0.19 -0.14 -0.25 0.00 0.22 0.00 0.00 39.33 39.35 3hqp h ASP 122 CO 0.00 1.45 -0.23 -0.75 -1.72 0.00 0.00 179.24 177.99 3hqp s LYS 123 N -2.63 0.46 0.17 3.56 2.20 -1.20 0.19 119.74 122.49 3hqp s LYS 123 Ca -0.08 0.98 -0.08 0.00 -0.36 0.00 0.00 55.97 56.43 3hqp s LYS 123 Cb 0.07 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 3hqp s LYS 123 CO 0.87 -0.18 0.28 -0.59 -0.36 0.00 0.00 175.35 175.37 3hqp s PHE 124 N 1.81 0.48 0.14 4.03 -0.71 -1.08 -1.31 117.98 121.34 3hqp s PHE 124 Ca -0.08 -0.83 -0.06 0.00 -1.04 0.00 0.00 56.93 54.92 3hqp s PHE 124 Cb -0.09 -0.09 -0.06 0.00 -1.21 0.00 0.00 43.02 41.57 3hqp s PHE 124 CO -0.15 -0.73 0.40 -0.47 -1.34 0.00 0.00 175.22 172.92 3hqp s TYR 125 N -3.99 3.49 -0.07 3.49 5.04 -1.26 -0.49 117.35 123.55 3hqp s TYR 125 Ca 0.20 0.62 0.02 0.00 -2.44 0.00 0.00 57.07 55.48 3hqp s TYR 125 Cb 0.03 -2.05 0.01 0.00 0.35 0.00 0.00 41.96 40.30 3hqp s TYR 125 CO 0.02 0.43 -0.14 0.42 -1.34 0.00 0.00 175.55 174.94 3hqp s ILE 126 N -1.63 1.29 -2.01 3.14 1.01 -0.67 -3.67 121.20 118.67 3hqp s ILE 126 Ca 0.40 -0.56 0.14 0.00 0.00 0.00 0.00 60.65 60.63 3hqp s ILE 126 Cb -0.12 -1.17 0.39 0.00 0.01 0.00 0.00 42.46 41.57 3hqp s ILE 126 CO 0.23 0.39 1.53 -0.90 0.00 0.00 0.00 174.94 176.19 3hqp n ASP 127 N 3.83 0.05 -4.78 3.58 5.75 -0.33 -4.67 116.55 119.98 3hqp n ASP 127 Ca -0.22 -1.58 -0.35 0.00 -0.01 0.00 0.00 54.79 52.63 3hqp n ASP 127 Cb 0.52 -0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.60 3hqp n ASP 127 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3hqp s TYR 128 N -1.99 2.79 0.00 2.11 5.04 -1.26 -4.92 117.35 119.12 3hqp s TYR 128 Ca 0.21 1.55 -0.01 0.00 -2.44 0.00 0.00 57.07 56.38 3hqp s TYR 128 Cb 0.10 -3.26 -0.00 0.00 0.35 0.00 0.00 41.96 39.14 3hqp s TYR 128 CO 0.16 -1.40 1.02 1.96 -1.34 0.00 0.00 175.55 175.95 3hqp h GLN 129 N 1.48 -0.02 -2.08 4.97 1.08 -1.93 -3.42 115.11 115.20 3hqp h GLN 129 Ca -0.50 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.39 3hqp h GLN 129 Cb 1.25 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.36 3hqp h GLN 129 CO 0.58 -0.01 -0.63 0.54 -0.95 0.00 0.00 178.83 178.36 3hqp s ASN 130 N -2.57 1.47 -0.62 1.46 4.22 -1.26 -5.01 114.94 112.64 3hqp s ASN 130 Ca -0.00 -0.75 -0.01 0.00 -2.14 0.00 0.00 52.86 49.95 3hqp s ASN 130 Cb 0.00 0.59 0.47 0.00 1.28 0.00 0.00 41.25 43.59 3hqp s ASN 130 CO 0.02 -0.38 1.97 0.00 -2.04 0.00 0.00 177.10 176.67 3hqp n LEU 131 N 5.26 7.43 -0.09 3.54 -0.00 -1.26 -4.36 117.00 127.52 3hqp n LEU 131 Ca -0.01 -4.27 -0.23 0.00 -0.00 0.00 0.00 56.01 51.51 3hqp n LEU 131 Cb 0.47 -0.92 -0.12 0.00 -0.00 0.00 0.00 43.42 42.84 3hqp n LEU 131 CO 0.01 1.48 -1.02 -1.20 -0.00 0.00 0.00 177.39 176.65 3hqp n SER 132 N -0.92 1.99 -2.33 1.45 7.64 -1.26 -4.26 113.62 115.93 3hqp n SER 132 Ca 0.61 0.20 -0.33 0.00 1.01 0.00 0.00 58.87 60.37 3hqp n SER 132 Cb 0.76 -0.77 0.06 0.00 -1.01 0.00 0.00 64.21 63.25 3hqp n SER 132 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3hqp n LYS 133 N -3.83 2.91 0.03 1.43 5.02 -1.26 -4.48 118.16 117.98 3hqp n LYS 133 Ca -0.41 -3.53 0.00 0.00 -2.02 0.00 0.00 58.31 52.36 3hqp n LYS 133 Cb 0.91 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3hqp n LYS 133 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hqp n VAL 134 N -0.83 0.28 -3.78 -0.18 0.31 -1.26 -5.08 118.33 107.79 3hqp n VAL 134 Ca 0.58 0.09 -0.34 0.00 -0.01 0.00 0.00 64.34 64.65 3hqp n VAL 134 Cb 0.68 -1.15 -0.05 0.00 -0.91 0.00 0.00 33.84 32.41 3hqp n VAL 134 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3hqp s VAL 135 N -2.00 5.32 -0.02 2.52 -7.23 -1.26 -5.11 120.40 112.62 3hqp s VAL 135 Ca 0.00 0.12 0.03 0.00 -1.81 0.00 0.00 61.98 60.33 3hqp s VAL 135 Cb 0.00 -3.56 -0.01 0.00 0.56 0.00 0.00 36.38 33.37 3hqp s VAL 135 CO 0.00 0.35 -0.12 -0.60 -0.31 0.00 0.00 175.10 174.42 3hqp s ARG 136 N -1.81 1.05 -0.42 4.82 3.52 -1.26 -4.87 118.95 119.99 3hqp s ARG 136 Ca 0.28 -0.42 -0.17 0.00 -0.13 0.00 0.00 55.73 55.30 3hqp s ARG 136 Cb -0.13 -1.00 -0.10 0.00 -1.56 0.00 0.00 34.95 32.16 3hqp s ARG 136 CO 0.17 0.22 1.23 -2.30 -0.81 0.00 0.00 175.30 173.81 3hqp n PRO 137 N 2.95 0.00 0.00 5.12 -0.02 -1.26 -0.34 135.00 141.45 3hqp n PRO 137 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3hqp n PRO 137 Cb 0.55 -0.72 0.00 0.00 -0.02 0.00 0.00 33.50 33.31 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 3.25 1.25 3.77 -1.23 0.00 -0.33 -4.96 105.19 106.94 3hqp n GLY 138 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 3hqp n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hqp s ASN 139 N -1.02 5.00 -0.13 1.61 0.02 0.54 -4.72 114.94 116.24 3hqp s ASN 139 Ca 0.00 1.96 -0.03 0.00 -1.02 0.00 0.00 52.86 53.77 3hqp s ASN 139 Cb 0.00 -2.54 -0.03 0.00 0.02 0.00 0.00 41.25 38.69 3hqp s ASN 139 CO 0.00 -1.70 -0.01 -0.31 0.02 0.00 0.00 177.10 175.10 3hqp s TYR 140 N -2.46 3.09 -0.24 2.20 2.02 -1.26 -2.43 117.35 118.27 3hqp s TYR 140 Ca 0.66 -0.06 -0.08 0.00 -0.37 0.00 0.00 57.07 57.22 3hqp s TYR 140 Cb -0.20 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 3hqp s TYR 140 CO 0.44 0.19 0.08 0.42 -1.57 0.00 0.00 175.55 175.11 3hqp s ILE 141 N -0.14 4.46 -0.40 2.71 1.01 0.70 -4.92 121.20 124.62 3hqp s ILE 141 Ca 0.04 -0.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 3hqp s ILE 141 Cb -0.13 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.28 3hqp s ILE 141 CO 0.02 0.35 0.46 -0.31 0.00 0.00 0.00 174.94 175.46 3hqp s TYR 142 N 1.46 3.16 -0.09 3.97 1.51 -1.19 -1.01 117.35 125.16 3hqp s TYR 142 Ca 0.06 -0.21 -0.02 0.00 -1.01 0.00 0.00 57.07 55.89 3hqp s TYR 142 Cb -0.15 -2.92 -0.03 0.00 -0.11 0.00 0.00 41.96 38.75 3hqp s TYR 142 CO 0.04 -0.66 -0.01 0.42 -1.11 0.00 0.00 175.55 174.23 3hqp s ILE 143 N 2.24 4.20 -0.64 2.71 -1.09 0.11 -0.78 121.20 127.96 3hqp s ILE 143 Ca 0.14 -0.28 -0.00 0.00 -2.23 0.00 0.00 60.65 58.27 3hqp s ILE 143 Cb -0.16 -2.77 -0.01 0.00 -1.58 0.00 0.00 42.46 37.94 3hqp s ILE 143 CO 0.14 0.59 0.60 -0.67 -1.23 0.00 0.00 174.94 174.37 3hqp n ASP 144 N 2.29 -6.73 -2.72 3.58 2.03 0.18 -1.31 116.55 113.87 3hqp n ASP 144 Ca -0.18 -0.11 -0.17 0.00 0.52 0.00 0.00 54.79 54.85 3hqp n ASP 144 Cb 0.53 -4.57 -0.00 0.00 -0.72 0.00 0.00 41.12 36.36 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 -1.77 -4.41 0.00 1.67 8.00 -1.20 -2.07 116.55 116.77 3hqp n ASP 145 Ca -0.01 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.47 3hqp n ASP 145 Cb 0.51 -3.68 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 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 -1.01 1.77 0.24 0.44 0.00 -1.20 -4.78 105.19 100.66 3hqp n GLY 146 Ca -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 1.12 -3.09 -0.61 2.04 -1.29 -3.42 117.51 112.25 3hqp h ILE 147 Ca 0.00 -0.27 -0.65 0.00 1.00 0.00 0.00 64.86 64.94 3hqp h ILE 147 Cb 0.00 0.27 -0.13 0.00 -0.74 0.00 0.00 36.82 36.22 3hqp h ILE 147 CO 0.00 0.14 -0.55 -0.22 0.00 0.00 0.00 178.15 177.52 3hqp s LEU 148 N -10.17 3.95 -0.07 1.44 2.96 -0.43 -5.00 118.68 111.37 3hqp s LEU 148 Ca -0.13 0.23 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 3hqp s LEU 148 Cb 0.14 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 3hqp s LEU 148 CO 0.75 0.30 -0.21 -0.63 -1.32 0.00 0.00 176.35 175.24 3hqp s ILE 149 N -0.41 1.81 -0.11 6.68 1.01 -1.26 0.07 121.20 129.00 3hqp s ILE 149 Ca 0.10 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.88 3hqp s ILE 149 Cb -0.12 -1.56 -0.00 0.00 0.01 0.00 0.00 42.46 40.79 3hqp s ILE 149 CO 0.02 0.51 -0.23 -0.76 0.00 0.00 0.00 174.94 174.48 3hqp s LEU 150 N 0.16 2.16 -0.20 2.97 1.43 -0.18 -2.95 118.68 122.07 3hqp s LEU 150 Ca -0.10 -0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 52.38 3hqp s LEU 150 Cb -0.15 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3hqp s LEU 150 CO 0.05 0.15 0.06 -1.58 0.23 0.00 0.00 176.35 175.26 3hqp s GLN 151 N 0.41 3.89 0.17 1.70 0.74 -0.63 -0.21 119.66 125.74 3hqp s GLN 151 Ca -0.16 -0.38 -0.27 0.00 0.05 0.00 0.00 55.36 54.60 3hqp s GLN 151 Cb -0.17 -3.24 -0.08 0.00 1.10 0.00 0.00 33.01 30.62 3hqp s GLN 151 CO 0.07 0.16 0.84 0.08 -0.55 0.00 0.00 175.29 175.89 3hqp s VAL 152 N 0.67 4.34 -0.16 1.34 1.01 -1.02 -0.67 120.40 125.92 3hqp s VAL 152 Ca 0.03 1.84 -0.12 0.00 0.00 0.00 0.00 61.98 63.73 3hqp s VAL 152 Cb -0.13 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 3hqp s VAL 152 CO 0.02 0.48 -0.26 0.00 0.00 0.00 0.00 175.10 175.34 3hqp n GLN 153 N 1.81 0.41 -3.60 2.72 3.00 -0.17 -1.18 117.38 120.37 3hqp n GLN 153 Ca -0.04 0.17 -0.11 0.00 -0.01 0.00 0.00 57.00 57.02 3hqp n GLN 153 Cb 0.48 -1.20 -0.04 0.00 0.00 0.00 0.00 30.24 29.48 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 -6.40 -0.29 0.19 1.08 1.04 -1.26 -4.62 113.70 103.44 3hqp s SER 154 Ca -0.25 -0.23 -0.12 0.00 0.48 0.00 0.00 55.95 55.84 3hqp s SER 154 Cb 0.07 0.49 -0.07 0.00 0.10 0.00 0.00 66.02 66.61 3hqp s SER 154 CO 0.34 -0.85 0.55 -1.00 0.98 0.00 0.00 173.24 173.26 3hqp s HIS 155 N -3.63 3.50 0.00 5.02 3.76 -1.26 -2.48 115.29 120.19 3hqp s HIS 155 Ca 0.02 0.96 0.00 0.00 -0.15 0.00 0.00 55.06 55.88 3hqp s HIS 155 Cb 0.01 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 31.39 3hqp s HIS 155 CO -0.11 0.34 0.00 0.39 -0.85 0.00 0.00 174.74 174.51 3hqp n GLU 156 N 0.28 0.00 -0.50 1.40 1.02 -1.10 -4.93 120.64 116.80 3hqp n GLU 156 Ca -0.02 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.20 3hqp n GLU 156 Cb 0.52 0.00 0.29 0.00 -0.02 0.00 0.00 31.44 32.24 3hqp n GLU 156 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hqp n ASP 157 N -2.37 4.24 0.00 1.62 8.00 -1.23 -4.90 116.55 121.91 3hqp n ASP 157 Ca 0.00 -2.54 0.00 0.00 0.71 0.00 0.00 54.79 52.96 3hqp n ASP 157 Cb 0.00 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 3hqp n ASP 157 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hqp n GLU 158 N 0.53 -1.33 0.00 -1.24 -0.58 -1.26 -4.54 120.64 112.21 3hqp n GLU 158 Ca 0.22 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 3hqp n GLU 158 Cb 0.82 -4.68 0.00 0.00 -0.57 0.00 0.00 31.44 27.01 3hqp n GLU 158 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3hqp n GLN 159 N -0.07 0.00 -3.05 3.49 6.02 -1.26 -4.78 117.38 117.73 3hqp n GLN 159 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 3hqp n GLN 159 Cb 0.33 -0.17 -0.05 0.00 1.02 0.00 0.00 30.24 31.38 3hqp n GLN 159 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hqp s THR 160 N -1.91 4.99 -0.04 5.09 2.01 -1.25 -3.10 115.64 121.43 3hqp s THR 160 Ca 0.00 1.45 0.05 0.00 0.31 0.00 0.00 61.69 63.50 3hqp s THR 160 Cb 0.00 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 68.46 3hqp s THR 160 CO 0.00 0.28 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.27 3hqp s LEU 161 N 0.60 1.95 -0.07 4.42 1.43 -0.63 -2.71 118.68 123.67 3hqp s LEU 161 Ca 0.37 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 3hqp s LEU 161 Cb -0.18 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 3hqp s LEU 161 CO 0.19 0.17 1.21 -0.70 0.23 0.00 0.00 176.35 177.45 3hqp s GLU 162 N -0.02 4.34 0.04 1.70 2.12 -1.04 -2.60 118.70 123.25 3hqp s GLU 162 Ca -0.03 1.68 0.04 0.00 0.36 0.00 0.00 54.97 57.02 3hqp s GLU 162 Cb -0.12 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 3hqp s GLU 162 CO 0.02 -0.48 -0.13 0.00 -0.54 0.00 0.00 175.26 174.13 3hqp s THR 164 N -0.96 4.24 -0.44 0.00 2.01 0.15 -2.39 115.64 118.25 3hqp s THR 164 Ca -0.01 -0.25 -0.22 0.00 0.31 0.00 0.00 61.69 61.53 3hqp s THR 164 Cb -0.08 -2.84 0.02 0.00 0.01 0.00 0.00 72.50 69.61 3hqp s THR 164 CO 0.01 0.53 0.69 -0.69 -0.69 0.00 0.00 174.62 174.48 3hqp s VAL 165 N -0.10 4.77 -0.34 3.82 1.01 -0.91 -1.60 120.40 127.04 3hqp s VAL 165 Ca 0.04 0.27 0.23 0.00 0.00 0.00 0.00 61.98 62.52 3hqp s VAL 165 Cb -0.13 -4.24 0.31 0.00 0.00 0.00 0.00 36.38 32.33 3hqp s VAL 165 CO 0.02 -0.62 1.64 0.71 0.00 0.00 0.00 175.10 176.85 3hqp h THR 166 N 5.90 0.10 -3.01 3.92 1.35 -1.80 0.18 112.91 119.55 3hqp h THR 166 Ca -0.25 -1.08 -0.10 0.00 -0.55 0.00 0.00 66.41 64.42 3hqp h THR 166 Cb 1.09 1.99 -0.19 0.00 -1.73 0.00 0.00 68.15 69.32 3hqp h THR 166 CO 0.91 0.06 -0.21 0.54 -0.25 0.00 0.00 175.52 176.57 3hqp s ASN 167 N -6.18 -0.22 0.01 5.36 2.20 -1.26 -4.55 114.94 110.29 3hqp s ASN 167 Ca 0.06 0.06 -0.30 0.00 -0.94 0.00 0.00 52.86 51.74 3hqp s ASN 167 Cb 0.06 0.35 -0.04 0.00 -2.00 0.00 0.00 41.25 39.62 3hqp s ASN 167 CO 0.66 -0.52 1.06 -0.44 -2.94 0.00 0.00 177.10 174.92 3hqp s SER 168 N -1.56 7.26 -0.28 3.54 0.01 -1.26 -4.28 113.70 117.13 3hqp s SER 168 Ca -0.11 1.76 -0.25 0.00 1.31 0.00 0.00 55.95 58.67 3hqp s SER 168 Cb -0.03 -2.57 0.10 0.00 0.21 0.00 0.00 66.02 63.73 3hqp s SER 168 CO 0.02 -0.36 0.90 -2.28 0.41 0.00 0.00 173.24 171.94 3hqp s HIS 169 N 1.18 -0.60 -0.30 2.43 5.04 -0.25 -4.95 115.29 117.83 3hqp s HIS 169 Ca 0.54 1.48 -0.15 0.00 -1.54 0.00 0.00 55.06 55.38 3hqp s HIS 169 Cb -0.23 0.33 -0.02 0.00 0.04 0.00 0.00 32.58 32.69 3hqp s HIS 169 CO 0.27 -0.29 0.39 0.99 -2.34 0.00 0.00 174.74 173.76 3hqp s THR 170 N 0.30 5.15 -0.17 0.89 2.01 -1.26 -2.34 115.64 120.21 3hqp s THR 170 Ca 0.02 0.37 -0.06 0.00 0.31 0.00 0.00 61.69 62.32 3hqp s THR 170 Cb -0.05 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3hqp s THR 170 CO -0.03 0.02 0.03 0.27 -0.69 0.00 0.00 174.62 174.22 3hqp s ILE 171 N 2.10 4.51 0.00 1.82 -4.36 -0.92 -4.94 121.20 119.42 3hqp s ILE 171 Ca 0.14 -0.14 0.00 0.00 -0.26 0.00 0.00 60.65 60.40 3hqp s ILE 171 Cb -0.16 -3.01 0.00 0.00 1.25 0.00 0.00 42.46 40.54 3hqp s ILE 171 CO 0.11 0.48 0.00 -1.20 0.24 0.00 0.00 174.94 174.57 3hqp n SER 172 N 3.46 0.00 -4.77 4.36 7.64 -1.26 -0.84 113.62 122.21 3hqp n SER 172 Ca -0.17 -0.78 -0.38 0.00 1.01 0.00 0.00 58.87 58.56 3hqp n SER 172 Cb 0.52 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3hqp n SER 172 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3hqp s ASP 173 N -1.00 6.09 -0.55 6.43 1.01 -1.16 -4.15 116.67 123.35 3hqp s ASP 173 Ca 0.00 2.41 -0.07 0.00 0.71 0.00 0.00 52.55 55.60 3hqp s ASP 173 Cb 0.00 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.33 3hqp s ASP 173 CO 0.00 -0.98 0.45 -2.11 0.21 0.00 0.00 175.17 172.74 3hqp n ARG 174 N -0.45 -1.20 -2.78 8.23 1.85 0.73 -4.91 116.66 118.13 3hqp n ARG 174 Ca 0.07 0.66 -0.35 0.00 -1.00 0.00 0.00 57.85 57.22 3hqp n ARG 174 Cb 0.47 -1.58 -0.06 0.00 -1.05 0.00 0.00 32.46 30.23 3hqp n ARG 174 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3hqp s ARG 175 N -3.65 4.40 -0.21 2.89 3.00 -1.26 -4.65 118.95 119.48 3hqp s ARG 175 Ca 0.07 1.25 -0.29 0.00 0.00 0.00 0.00 55.73 56.76 3hqp s ARG 175 Cb -0.01 -2.52 -0.01 0.00 0.00 0.00 0.00 34.95 32.41 3hqp s ARG 175 CO 0.66 0.12 1.38 0.20 0.00 0.00 0.00 175.30 177.65 3hqp s GLY 176 N -1.85 1.47 -0.17 -3.53 0.00 -1.26 -1.82 107.32 100.15 3hqp s GLY 176 Ca 0.56 0.38 -0.03 0.00 0.00 0.00 0.00 44.72 45.63 3hqp s GLY 176 CO 0.19 2.67 -0.06 0.54 0.00 0.00 0.00 173.10 176.45 3hqp s VAL 177 N 4.17 3.56 0.02 1.40 0.11 -0.84 0.48 120.40 129.30 3hqp s VAL 177 Ca 0.60 -0.46 0.09 0.00 -2.93 0.00 0.00 61.98 59.28 3hqp s VAL 177 Cb -0.22 -2.57 -0.03 0.00 -1.53 0.00 0.00 36.38 32.04 3hqp s VAL 177 CO 0.22 0.47 -0.26 0.20 -3.33 0.00 0.00 175.10 172.40 3hqp s ASN 178 N 0.74 3.16 -0.31 3.54 0.01 0.04 -4.27 114.94 117.85 3hqp s ASN 178 Ca -0.02 -0.53 0.02 0.00 -0.71 0.00 0.00 52.86 51.61 3hqp s ASN 178 Cb -0.15 -0.33 0.09 0.00 0.41 0.00 0.00 41.25 41.28 3hqp s ASN 178 CO 0.02 0.28 0.04 -0.76 -1.51 0.00 0.00 177.10 175.18 3hqp s LEU 179 N -1.00 3.51 0.11 0.60 2.01 -1.26 -3.17 118.68 119.48 3hqp s LEU 179 Ca 0.11 -1.80 -0.30 0.00 0.01 0.00 0.00 54.13 52.15 3hqp s LEU 179 Cb -0.10 -1.29 -0.06 0.00 0.01 0.00 0.00 46.19 44.75 3hqp s LEU 179 CO 0.01 -0.36 1.06 -2.84 1.01 0.00 0.00 176.35 175.23 3hqp s PRO 180 N 1.23 4.59 -1.26 1.29 0.02 -1.26 -3.64 135.00 135.96 3hqp s PRO 180 Ca 0.07 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.70 3hqp s PRO 180 Cb -0.18 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 30.99 3hqp s PRO 180 CO -0.13 0.03 0.00 0.41 -0.33 0.00 0.00 177.00 176.97 3hqp n GLY 181 N 2.46 0.49 0.04 0.52 0.00 -1.26 -4.90 105.19 102.54 3hqp n GLY 181 Ca 0.04 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.26 -7.77 -4.77 0.00 4.64 -1.26 -4.96 116.55 100.17 3hqp n ASP 183 Ca -0.12 1.11 -0.37 0.00 -1.38 0.00 0.00 54.79 54.03 3hqp n ASP 183 Cb 0.66 -4.75 -0.02 0.00 -1.04 0.00 0.00 41.12 35.97 3hqp n ASP 183 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3hqp s VAL 184 N -1.70 3.30 -1.23 5.18 -7.23 -1.26 -4.96 120.40 112.49 3hqp s VAL 184 Ca 0.05 1.01 -0.10 0.00 -1.81 0.00 0.00 61.98 61.13 3hqp s VAL 184 Cb -0.01 -3.53 0.19 0.00 0.56 0.00 0.00 36.38 33.58 3hqp s VAL 184 CO 0.68 0.02 1.65 -0.67 -0.31 0.00 0.00 175.10 176.48 3hqp n ASP 185 N -0.20 5.27 -3.95 4.85 2.03 -1.26 -4.94 116.55 118.35 3hqp n ASP 185 Ca 0.06 -3.08 -0.20 0.00 0.52 0.00 0.00 54.79 52.08 3hqp n ASP 185 Cb 0.48 -1.49 -0.16 0.00 -0.72 0.00 0.00 41.12 39.23 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 0.20 1.56 1.08 -2.67 1.43 -1.26 -4.97 118.68 114.05 3hqp s LEU 186 Ca 0.40 -0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 53.20 3hqp s LEU 186 Cb 0.04 -0.52 0.23 0.00 0.03 0.00 0.00 46.19 45.98 3hqp s LEU 186 CO 0.01 0.00 1.07 -2.16 0.23 0.00 0.00 176.35 175.50 3hqp s PRO 187 N 0.59 -0.23 0.05 1.29 0.04 -1.26 -4.92 135.00 130.56 3hqp s PRO 187 Ca -0.09 0.55 -0.22 0.00 0.04 0.00 0.00 61.00 61.28 3hqp s PRO 187 Cb -0.12 -1.66 -0.14 0.00 0.04 0.00 0.00 34.50 32.62 3hqp s PRO 187 CO 0.01 -3.18 1.46 0.00 0.04 0.00 0.00 177.00 175.32 3hqp h ALA 188 N -2.22 0.16 -2.85 8.56 0.00 -2.00 -3.40 119.26 117.51 3hqp h ALA 188 Ca -0.57 -0.20 -0.35 0.00 0.00 0.00 0.00 54.91 53.79 3hqp h ALA 188 Cb 1.33 -0.04 -0.37 0.00 0.00 0.00 0.00 17.79 18.71 3hqp h ALA 188 CO 0.54 -0.14 -0.67 0.54 0.00 0.00 0.00 179.25 179.53 3hqp s VAL 189 N -4.89 -0.24 0.79 0.00 0.11 -1.26 -4.68 120.40 110.24 3hqp s VAL 189 Ca -0.14 0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 58.90 3hqp s VAL 189 Cb 0.05 -0.52 0.16 0.00 -1.53 0.00 0.00 36.38 34.54 3hqp s VAL 189 CO 0.71 -0.11 1.08 -0.94 -3.33 0.00 0.00 175.10 172.51 3hqp s SER 190 N 2.26 3.94 0.36 3.54 1.04 -1.26 -4.90 113.70 118.68 3hqp s SER 190 Ca 0.04 -0.41 0.15 0.00 0.48 0.00 0.00 55.95 56.21 3hqp s SER 190 Cb -0.15 0.20 0.68 0.00 0.10 0.00 0.00 66.02 66.86 3hqp s SER 190 CO -0.09 -2.16 1.77 0.00 0.98 0.00 0.00 173.24 173.74 3hqp h ALA 191 N -0.80 1.19 0.00 5.32 0.00 -2.01 -1.32 119.26 121.63 3hqp h ALA 191 Ca -0.36 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3hqp h ALA 191 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hqp h ALA 191 CO 0.36 0.52 0.00 1.63 0.00 0.00 0.00 179.25 181.75 3hqp n LYS 192 N -3.86 0.92 0.00 0.00 5.02 -1.26 -3.39 118.16 115.59 3hqp n LYS 192 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3hqp n LYS 192 Cb 0.47 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 3hqp n LYS 192 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hqp n ASP 193 N -0.50 3.14 0.11 4.39 8.00 -0.74 -4.68 116.55 126.27 3hqp n ASP 193 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 3hqp n ASP 193 Cb 0.00 0.53 0.04 0.00 -0.02 0.00 0.00 41.12 41.67 3hqp n ASP 193 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3hqp h ARG 194 N 0.00 0.00 0.05 -1.24 2.43 -1.28 -2.74 114.38 111.60 3hqp h ARG 194 Ca 0.00 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.91 3hqp h ARG 194 Cb 0.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3hqp h ARG 194 CO 0.00 0.73 -1.32 0.28 -1.51 0.00 0.00 179.97 178.14 3hqp h VAL 195 N 0.00 1.36 -0.45 0.20 2.07 -1.86 -2.71 116.25 114.85 3hqp h VAL 195 Ca -0.01 -3.06 -0.05 0.00 0.82 0.00 0.00 66.70 64.40 3hqp h VAL 195 Cb 1.41 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 33.92 3hqp h VAL 195 CO 0.09 0.83 0.07 0.44 0.02 0.00 0.00 177.57 179.02 3hqp h ASP 196 N 0.03 0.72 0.04 0.57 5.19 -1.83 0.05 116.42 121.19 3hqp h ASP 196 Ca -0.15 -0.26 -0.15 0.00 -0.62 0.00 0.00 57.03 55.85 3hqp h ASP 196 Cb 1.92 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 41.23 3hqp h ASP 196 CO 0.14 0.80 -0.52 -0.07 -3.12 0.00 0.00 179.24 176.47 3hqp h LEU 197 N 0.61 0.58 -0.61 1.55 3.38 -1.60 -2.27 115.31 116.95 3hqp h LEU 197 Ca 0.14 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hqp h LEU 197 Cb 0.39 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3hqp h LEU 197 CO 0.01 1.00 0.35 -0.61 0.09 0.00 0.00 178.44 179.28 3hqp h GLN 198 N 0.41 0.85 -0.30 1.13 5.75 -1.34 -1.54 115.11 120.06 3hqp h GLN 198 Ca 0.01 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 3hqp h GLN 198 Cb 1.06 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.42 3hqp h GLN 198 CO 0.10 0.63 0.12 0.35 -2.65 0.00 0.00 178.83 177.38 3hqp h PHE 199 N 0.83 0.41 -0.43 3.99 3.57 -0.88 -0.94 116.94 123.50 3hqp h PHE 199 Ca 0.22 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 3hqp h PHE 199 Cb 0.02 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3hqp h PHE 199 CO -0.01 0.33 0.01 0.78 -2.23 0.00 0.00 178.31 177.19 3hqp h GLY 200 N 0.57 0.81 1.03 2.40 0.00 -0.76 -2.14 103.07 104.97 3hqp h GLY 200 Ca 0.11 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 3hqp h GLY 200 CO -0.01 0.54 -0.23 -2.08 0.00 0.00 0.00 176.54 174.75 3hqp h VAL 201 N 0.59 1.28 -0.02 4.60 2.07 -0.96 -0.80 116.25 123.02 3hqp h VAL 201 Ca 0.12 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.18 3hqp h VAL 201 Cb 0.47 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3hqp h VAL 201 CO 0.02 0.46 -0.36 -0.33 0.02 0.00 0.00 177.57 177.38 3hqp h GLU 202 N 0.63 0.03 0.00 1.57 5.08 -1.16 -3.07 114.58 117.65 3hqp h GLU 202 Ca 0.08 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3hqp h GLU 202 Cb 0.80 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3hqp h GLU 202 CO 0.07 0.38 -1.59 1.04 -1.00 0.00 0.00 179.01 177.91 3hqp n GLN 203 N -4.11 0.64 -1.00 2.33 1.13 -0.81 -5.03 117.38 110.53 3hqp n GLN 203 Ca -0.02 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3hqp n GLN 203 Cb 0.40 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 29.06 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 1.32 0.73 3.78 1.08 0.00 -0.51 -5.07 105.19 106.52 3hqp n GLY 204 Ca -0.07 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.42 3.32 0.03 1.61 -7.23 -0.42 -4.96 120.40 110.33 3hqp s VAL 205 Ca 0.00 0.79 -0.07 0.00 -1.81 0.00 0.00 61.98 60.89 3hqp s VAL 205 Cb 0.00 -3.30 -0.30 0.00 0.56 0.00 0.00 36.38 33.34 3hqp s VAL 205 CO 0.00 -0.21 0.96 0.44 -0.31 0.00 0.00 175.10 175.98 3hqp h ASP 206 N 1.10 0.51 -5.07 4.85 3.32 -1.38 -3.45 116.42 116.30 3hqp h ASP 206 Ca -0.49 -0.62 -0.08 0.00 0.02 0.00 0.00 57.03 55.86 3hqp h ASP 206 Cb 1.25 -0.17 -0.15 0.00 0.22 0.00 0.00 39.33 40.48 3hqp h ASP 206 CO 0.57 1.50 -0.17 0.00 -1.72 0.00 0.00 179.24 179.42 3hqp s MET 207 N -2.62 0.92 -0.18 3.56 0.23 -1.16 -2.80 119.30 117.25 3hqp s MET 207 Ca -0.08 -0.57 -0.00 0.00 -1.03 0.00 0.00 55.69 54.01 3hqp s MET 207 Cb 0.06 0.40 0.01 0.00 -1.53 0.00 0.00 34.83 33.77 3hqp s MET 207 CO 0.88 -0.32 -0.15 0.42 -2.03 0.00 0.00 175.02 173.82 3hqp s ILE 208 N -3.03 2.54 -1.08 3.16 -1.09 0.11 -1.67 121.20 120.13 3hqp s ILE 208 Ca -0.02 -0.79 -0.15 0.00 -2.23 0.00 0.00 60.65 57.46 3hqp s ILE 208 Cb 0.01 -2.09 0.16 0.00 -1.58 0.00 0.00 42.46 38.96 3hqp s ILE 208 CO -0.06 0.51 1.27 -0.36 -1.23 0.00 0.00 174.94 175.06 3hqp s PHE 209 N 1.18 3.40 -0.14 3.97 0.08 0.13 -0.73 117.98 125.87 3hqp s PHE 209 Ca 0.02 -1.87 -0.29 0.00 0.12 0.00 0.00 56.93 54.91 3hqp s PHE 209 Cb -0.14 -4.26 -0.03 0.00 -0.57 0.00 0.00 43.02 38.02 3hqp s PHE 209 CO -0.07 -1.39 1.48 0.00 -0.10 0.00 0.00 175.22 175.14 3hqp s ALA 210 N 1.80 3.56 0.47 5.36 0.00 -0.84 -1.85 121.76 130.27 3hqp s ALA 210 Ca 0.37 0.62 -0.19 0.00 0.00 0.00 0.00 51.96 52.76 3hqp s ALA 210 Cb -0.04 -3.72 -0.09 0.00 0.00 0.00 0.00 23.12 19.27 3hqp s ALA 210 CO -0.05 -1.43 0.98 -1.12 0.00 0.00 0.00 175.76 174.15 3hqp s SER 211 N 2.94 6.68 -1.28 0.00 0.01 -1.26 -1.70 113.70 119.09 3hqp s SER 211 Ca 0.65 1.71 -0.13 0.00 1.31 0.00 0.00 55.95 59.49 3hqp s SER 211 Cb -0.26 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.43 3hqp s SER 211 CO 0.23 -0.55 0.59 0.49 0.41 0.00 0.00 173.24 174.41 3hqp n PHE 212 N -1.03 -1.70 -2.60 2.43 3.72 -1.24 -4.48 117.46 112.56 3hqp n PHE 212 Ca 0.07 0.53 -0.43 0.00 -0.05 0.00 0.00 57.45 57.58 3hqp n PHE 212 Cb 0.54 -3.45 -0.02 0.00 -0.94 0.00 0.00 39.48 35.60 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 -3.72 4.58 -0.03 4.37 -1.09 -0.49 -4.76 121.20 120.06 3hqp s ILE 213 Ca 0.26 1.89 0.06 0.00 -2.23 0.00 0.00 60.65 60.63 3hqp s ILE 213 Cb -0.10 -4.22 -0.09 0.00 -1.58 0.00 0.00 42.46 36.46 3hqp s ILE 213 CO 0.89 -0.11 0.10 -2.11 -1.23 0.00 0.00 174.94 172.48 3hqp n ARG 214 N 5.96 1.18 -4.02 2.79 1.85 -1.26 -4.31 116.66 118.84 3hqp n ARG 214 Ca 0.12 -0.04 -0.11 0.00 -1.00 0.00 0.00 57.85 56.82 3hqp n ARG 214 Cb 0.46 -1.16 -0.05 0.00 -1.05 0.00 0.00 32.46 30.67 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 -3.11 0.22 0.31 2.89 1.04 -1.26 -4.32 113.70 109.47 3hqp s SER 215 Ca -0.03 -1.13 0.16 0.00 0.48 0.00 0.00 55.95 55.43 3hqp s SER 215 Cb 0.03 0.62 0.39 0.00 0.10 0.00 0.00 66.02 67.16 3hqp s SER 215 CO 0.27 -1.22 1.60 0.00 0.98 0.00 0.00 173.24 174.87 3hqp h ALA 216 N 2.21 0.84 -0.36 5.32 0.00 -1.86 -3.28 119.26 122.13 3hqp h ALA 216 Ca -0.28 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.03 3hqp h ALA 216 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3hqp h ALA 216 CO 0.38 0.63 -0.35 1.49 0.00 0.00 0.00 179.25 181.40 3hqp h GLU 217 N 0.00 0.82 -0.69 0.00 4.81 -1.96 -2.93 114.58 114.62 3hqp h GLU 217 Ca -0.01 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 58.77 3hqp h GLU 217 Cb 1.14 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3hqp h GLU 217 CO 0.07 1.03 0.23 0.37 -0.73 0.00 0.00 179.01 179.98 3hqp h GLN 218 N 0.68 1.05 -0.74 1.92 4.15 -1.98 -2.01 115.11 118.18 3hqp h GLN 218 Ca 0.07 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 3hqp h GLN 218 Cb 0.90 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.39 3hqp h GLN 218 CO 0.08 0.89 0.43 0.28 -1.93 0.00 0.00 178.83 178.58 3hqp h VAL 219 N 1.02 1.21 0.00 2.39 2.07 -1.62 -1.46 116.25 119.86 3hqp h VAL 219 Ca 0.23 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 3hqp h VAL 219 Cb 0.27 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3hqp h VAL 219 CO -0.01 0.23 -0.29 1.23 0.02 0.00 0.00 177.57 178.74 3hqp h GLY 220 N 1.06 0.00 2.00 2.17 0.00 -1.25 -2.74 103.07 104.30 3hqp h GLY 220 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 3hqp h GLY 220 CO -0.05 0.00 -0.07 -0.55 0.00 0.00 0.00 176.54 175.87 3hqp h ASP 221 N 0.00 0.00 0.32 0.19 5.19 -0.59 -2.93 116.42 118.60 3hqp h ASP 221 Ca -0.00 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.08 3hqp h ASP 221 Cb 0.64 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.19 3hqp h ASP 221 CO 0.04 0.07 -1.45 0.58 -3.12 0.00 0.00 179.24 175.36 3hqp h VAL 222 N 0.00 1.31 -0.21 -1.35 2.07 -1.07 -2.87 116.25 114.13 3hqp h VAL 222 Ca -0.00 -2.76 -0.12 0.00 0.82 0.00 0.00 66.70 64.64 3hqp h VAL 222 Cb 1.03 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.82 3hqp h VAL 222 CO 0.01 0.82 -0.39 -0.09 0.02 0.00 0.00 177.57 177.94 3hqp h ARG 223 N 0.14 0.49 -0.18 1.57 2.43 -1.57 -2.18 114.38 115.07 3hqp h ARG 223 Ca -0.24 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 58.60 3hqp h ARG 223 Cb 2.15 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.68 3hqp h ARG 223 CO 0.27 0.80 -0.28 0.87 -1.51 0.00 0.00 179.97 180.13 3hqp h LYS 224 N 0.41 0.34 -0.08 0.20 1.57 -1.62 0.29 116.57 117.68 3hqp h LYS 224 Ca 0.04 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 3hqp h LYS 224 Cb 0.87 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 3hqp h LYS 224 CO 0.07 0.60 -0.53 0.00 -0.57 0.00 0.00 179.45 179.01 3hqp h ALA 225 N 1.41 0.96 -0.02 3.86 0.00 -1.25 -2.94 119.26 121.27 3hqp h ALA 225 Ca 0.04 -0.50 -0.26 0.00 0.00 0.00 0.00 54.91 54.20 3hqp h ALA 225 Cb 0.65 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hqp h ALA 225 CO 0.05 0.68 -1.00 -0.07 0.00 0.00 0.00 179.25 178.91 3hqp h LEU 226 N 0.17 0.89 0.00 0.00 3.38 -1.24 -3.44 115.31 115.08 3hqp h LEU 226 Ca 0.00 -0.69 0.01 0.00 0.09 0.00 0.00 57.88 57.29 3hqp h LEU 226 Cb 1.00 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3hqp h LEU 226 CO 0.08 1.49 -0.02 0.61 0.09 0.00 0.00 178.44 180.70 3hqp n GLY 227 N 1.02 -1.99 0.21 0.83 0.00 0.07 -3.67 105.19 101.67 3hqp n GLY 227 Ca -0.10 -1.39 0.08 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.74 1.61 0.11 -1.89 -3.12 132.00 127.97 3hqp h PRO 228 Ca 0.00 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.19 3hqp h PRO 228 Cb 0.05 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.09 3hqp h PRO 228 CO 0.00 0.29 0.41 0.87 -0.21 0.00 0.00 178.00 179.36 3hqp h LYS 229 N 0.00 0.70 -2.10 1.05 1.79 -1.99 -3.23 116.57 112.80 3hqp h LYS 229 Ca -0.00 -0.04 -0.57 0.00 -2.18 0.00 0.00 60.65 57.86 3hqp h LYS 229 Cb 0.76 -0.16 -0.40 0.00 -1.58 0.00 0.00 32.23 30.84 3hqp h LYS 229 CO 0.04 0.47 -0.89 0.41 -1.08 0.00 0.00 179.45 178.40 3hqp n GLY 230 N -1.30 3.92 0.05 3.86 0.00 -1.22 -4.92 105.19 105.58 3hqp n GLY 230 Ca 0.11 -2.14 0.13 0.00 0.00 0.00 0.00 46.02 44.12 3hqp n GLY 230 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hqp n ARG 231 N 0.91 0.18 -0.24 1.61 1.85 -1.18 -3.81 116.66 115.98 3hqp n ARG 231 Ca 0.26 0.10 0.11 0.00 -1.00 0.00 0.00 57.85 57.31 3hqp n ARG 231 Cb 0.49 -1.66 0.27 0.00 -1.05 0.00 0.00 32.46 30.51 3hqp n ARG 231 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3hqp n ASP 232 N -1.94 3.10 -4.71 2.89 8.00 -1.26 -4.89 116.55 117.73 3hqp n ASP 232 Ca 0.05 -1.96 -0.42 0.00 0.71 0.00 0.00 54.79 53.17 3hqp n ASP 232 Cb 0.40 -0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.37 4.87 -0.17 0.53 1.01 -1.25 -4.99 121.20 119.84 3hqp s ILE 233 Ca 0.39 2.05 -0.27 0.00 0.00 0.00 0.00 60.65 62.82 3hqp s ILE 233 Cb 0.21 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 3hqp s ILE 233 CO 0.29 0.16 0.90 -0.04 0.00 0.00 0.00 174.94 176.24 3hqp s MET 234 N 1.01 4.32 -0.54 2.79 -1.94 -1.12 -4.88 119.30 118.93 3hqp s MET 234 Ca 0.52 1.14 -0.22 0.00 -1.71 0.00 0.00 55.69 55.42 3hqp s MET 234 Cb -0.21 -3.58 0.05 0.00 2.01 0.00 0.00 34.83 33.10 3hqp s MET 234 CO 0.28 -0.37 0.82 0.42 -0.01 0.00 0.00 175.02 176.16 3hqp s ILE 235 N 2.28 4.57 -0.38 2.53 1.01 -1.26 0.04 121.20 129.99 3hqp s ILE 235 Ca 0.41 -0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.86 3hqp s ILE 235 Cb -0.17 -4.46 0.01 0.00 0.01 0.00 0.00 42.46 37.85 3hqp s ILE 235 CO 0.13 -1.02 0.27 -0.63 0.00 0.00 0.00 174.94 173.69 3hqp s ILE 236 N 3.45 5.24 0.11 2.92 -1.09 0.09 -1.20 121.20 130.71 3hqp s ILE 236 Ca 0.24 -0.50 -0.27 0.00 -2.23 0.00 0.00 60.65 57.89 3hqp s ILE 236 Cb -0.15 -3.84 -0.06 0.00 -1.58 0.00 0.00 42.46 36.82 3hqp s ILE 236 CO 0.16 -0.20 0.83 0.00 -1.23 0.00 0.00 174.94 174.50 3hqp s LYS 238 N -0.42 3.91 -0.43 0.00 1.02 -0.69 -0.35 119.74 122.79 3hqp s LYS 238 Ca 0.40 -0.36 -0.16 0.00 0.02 0.00 0.00 55.97 55.88 3hqp s LYS 238 Cb -0.22 -3.42 0.03 0.00 -0.52 0.00 0.00 37.83 33.70 3hqp s LYS 238 CO 0.26 0.00 0.36 0.42 -0.92 0.00 0.00 175.35 175.47 3hqp s ILE 239 N 1.17 5.20 0.00 2.17 -1.09 -0.73 -1.40 121.20 126.52 3hqp s ILE 239 Ca 0.06 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 3hqp s ILE 239 Cb -0.14 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 3hqp s ILE 239 CO 0.05 -0.40 0.55 -1.84 -1.23 0.00 0.00 174.94 172.07 3hqp n GLU 240 N 5.31 0.00 -4.39 2.79 0.28 -1.26 -2.58 120.64 120.79 3hqp n GLU 240 Ca -0.10 -0.48 -0.20 0.00 -0.16 0.00 0.00 57.16 56.22 3hqp n GLU 240 Cb 0.46 -0.34 -0.10 0.00 1.43 0.00 0.00 31.44 32.90 3hqp n GLU 240 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3hqp s ASN 241 N -0.29 1.84 0.06 -1.84 4.22 -1.26 -3.59 114.94 114.07 3hqp s ASN 241 Ca 0.00 -1.47 -0.24 0.00 -2.14 0.00 0.00 52.86 49.01 3hqp s ASN 241 Cb 0.00 0.21 -0.17 0.00 1.28 0.00 0.00 41.25 42.58 3hqp s ASN 241 CO 0.00 -0.77 1.60 -0.74 -2.04 0.00 0.00 177.10 175.15 3hqp h HIS 242 N 2.18 -0.04 0.00 1.54 -0.00 -1.96 -2.94 115.15 113.93 3hqp h HIS 242 Ca -0.37 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 3hqp h HIS 242 Cb 1.25 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.67 3hqp h HIS 242 CO 0.80 0.11 0.00 0.00 -0.00 0.00 0.00 177.93 178.84 3hqp n GLN 243 N -5.04 0.08 -0.18 5.26 10.64 -1.26 -3.12 117.38 123.76 3hqp n GLN 243 Ca -0.08 0.10 -0.10 0.00 -1.83 0.00 0.00 57.00 55.10 3hqp n GLN 243 Cb 0.11 -1.60 0.01 0.00 -0.86 0.00 0.00 30.24 27.89 3hqp n GLN 243 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 3hqp h GLY 244 N 4.50 0.98 1.67 2.61 0.00 -1.71 -0.42 103.07 110.70 3hqp h GLY 244 Ca 0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 47.33 46.46 3hqp h GLY 244 CO 0.00 0.67 -0.51 -2.08 0.00 0.00 0.00 176.54 174.63 3hqp h VAL 245 N 0.77 1.34 -0.20 4.60 2.07 -1.54 -3.11 116.25 120.18 3hqp h VAL 245 Ca 0.14 -1.75 -0.12 0.00 0.82 0.00 0.00 66.70 65.79 3hqp h VAL 245 Cb 0.54 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3hqp h VAL 245 CO 0.03 0.53 -0.41 -0.61 0.02 0.00 0.00 177.57 177.13 3hqp h GLN 246 N 0.28 0.46 -0.48 1.57 4.15 -1.43 -3.25 115.11 116.40 3hqp h GLN 246 Ca 0.01 -0.23 -0.12 0.00 0.77 0.00 0.00 58.65 59.09 3hqp h GLN 246 Cb 0.99 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.61 3hqp h GLN 246 CO 0.08 0.79 0.09 0.09 -1.93 0.00 0.00 178.83 177.96 3hqp n ASN 247 N -4.02 4.13 -0.06 -0.69 3.02 -0.19 -4.74 115.26 112.71 3hqp n ASN 247 Ca -0.02 -3.23 0.01 0.00 -0.03 0.00 0.00 54.58 51.32 3hqp n ASN 247 Cb 0.51 -0.65 0.32 0.00 -0.61 0.00 0.00 39.78 39.34 3hqp n ASN 247 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3hqp h ILE 248 N 2.14 1.17 -0.80 2.41 6.09 -1.58 -2.42 117.51 124.51 3hqp h ILE 248 Ca 0.14 -0.49 0.02 0.00 -1.37 0.00 0.00 64.86 63.16 3hqp h ILE 248 Cb 1.87 0.58 -0.04 0.00 0.47 0.00 0.00 36.82 39.69 3hqp h ILE 248 CO 0.47 0.20 0.52 0.44 -3.07 0.00 0.00 178.15 176.71 3hqp h ASP 249 N 0.67 0.89 1.28 2.19 5.19 -1.88 -1.27 116.42 123.48 3hqp h ASP 249 Ca 0.17 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3hqp h ASP 249 Cb 0.10 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.40 3hqp h ASP 249 CO -0.02 0.63 -0.66 0.77 -3.12 0.00 0.00 179.24 176.83 3hqp h SER 250 N 1.04 0.00 -0.06 6.45 4.64 -1.92 -3.16 113.55 120.54 3hqp h SER 250 Ca 0.31 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.56 3hqp h SER 250 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3hqp h SER 250 CO -0.09 0.01 -0.13 0.40 -0.87 0.00 0.00 176.83 176.15 3hqp h ILE 251 N 0.00 1.42 -0.68 0.95 2.04 -1.11 -3.05 117.51 117.09 3hqp h ILE 251 Ca 0.00 -1.45 0.04 0.00 1.00 0.00 0.00 64.86 64.45 3hqp h ILE 251 Cb 0.97 2.23 -0.04 0.00 -0.74 0.00 0.00 36.82 39.24 3hqp h ILE 251 CO 0.00 0.40 0.45 0.40 0.00 0.00 0.00 178.15 179.40 3hqp h ILE 252 N -0.30 1.08 -0.48 -0.67 2.04 -1.36 -0.29 117.51 117.53 3hqp h ILE 252 Ca 0.00 -0.27 0.08 0.00 1.00 0.00 0.00 64.86 65.67 3hqp h ILE 252 Cb 0.72 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 3hqp h ILE 252 CO 0.03 0.14 0.08 -0.08 0.00 0.00 0.00 178.15 178.32 3hqp h GLU 253 N 0.79 0.20 0.00 2.37 4.57 -1.51 -3.17 114.58 117.83 3hqp h GLU 253 Ca 0.28 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3hqp h GLU 253 Cb 0.11 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 3hqp h GLU 253 CO -0.08 0.13 -1.34 0.39 -1.18 0.00 0.00 179.01 176.93 3hqp n GLU 254 N -5.13 0.60 -2.17 1.92 -0.58 -0.92 -4.96 120.64 109.40 3hqp n GLU 254 Ca 0.05 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.53 3hqp n GLU 254 Cb 0.24 -1.71 0.10 0.00 -0.57 0.00 0.00 31.44 29.50 3hqp n GLU 254 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3hqp s SER 255 N -4.97 4.43 0.00 1.62 1.04 -0.16 -4.96 113.70 110.70 3hqp s SER 255 Ca -0.03 0.36 0.20 0.00 0.48 0.00 0.00 55.95 56.97 3hqp s SER 255 Cb 0.11 -0.86 -0.09 0.00 0.10 0.00 0.00 66.02 65.29 3hqp s SER 255 CO 0.83 -1.86 0.95 0.47 0.98 0.00 0.00 173.24 174.61 3hqp n ASP 256 N -3.10 1.54 0.00 7.02 10.43 -0.34 -4.93 116.55 127.17 3hqp n ASP 256 Ca 0.10 -1.27 0.00 0.00 2.57 0.00 0.00 54.79 56.19 3hqp n ASP 256 Cb 0.60 0.68 0.00 0.00 1.84 0.00 0.00 41.12 44.24 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 1.39 0.11 3.05 0.44 0.00 -1.24 -3.76 105.19 105.18 3hqp n GLY 257 Ca 0.07 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.90 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 0.90 -0.22 -0.61 -1.09 0.32 -1.10 121.20 117.39 3hqp s ILE 258 Ca 0.00 -0.47 -0.04 0.00 -2.23 0.00 0.00 60.65 57.92 3hqp s ILE 258 Cb 0.00 -0.77 -0.01 0.00 -1.58 0.00 0.00 42.46 40.11 3hqp s ILE 258 CO 0.00 0.26 -0.05 -0.32 -1.23 0.00 0.00 174.94 173.60 3hqp s MET 259 N -0.13 3.37 -1.04 2.79 -2.45 0.53 -0.00 119.30 122.36 3hqp s MET 259 Ca 0.02 -0.63 -0.23 0.00 -1.25 0.00 0.00 55.69 53.61 3hqp s MET 259 Cb -0.06 -3.00 0.03 0.00 1.25 0.00 0.00 34.83 33.05 3hqp s MET 259 CO -0.00 -0.19 1.60 0.08 1.05 0.00 0.00 175.02 177.55 3hqp s VAL 260 N 1.47 3.84 -1.26 10.11 1.01 0.68 -1.77 120.40 134.48 3hqp s VAL 260 Ca 0.06 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 3hqp s VAL 260 Cb -0.14 -4.86 0.01 0.00 0.00 0.00 0.00 36.38 31.39 3hqp s VAL 260 CO -0.03 -1.73 1.81 0.00 0.00 0.00 0.00 175.10 175.15 3hqp n ALA 261 N 9.99 2.97 0.19 5.51 0.00 -1.07 -3.09 120.51 135.01 3hqp n ALA 261 Ca 0.37 -3.56 0.04 0.00 0.00 0.00 0.00 53.44 50.29 3hqp n ALA 261 Cb 0.49 -3.56 0.44 0.00 0.00 0.00 0.00 19.45 16.82 3hqp n ALA 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hqp h ARG 262 N 8.29 0.05 0.61 0.00 3.08 -1.82 -2.05 114.38 122.54 3hqp h ARG 262 Ca 0.37 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.39 3hqp h ARG 262 Cb 0.89 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 3hqp h ARG 262 CO 1.39 0.27 -0.48 0.78 -1.07 0.00 0.00 179.97 180.85 3hqp h GLY 263 N 0.72 -1.25 2.00 0.04 0.00 -1.86 0.25 103.07 102.97 3hqp h GLY 263 Ca 0.01 0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.89 3hqp h GLY 263 CO 0.03 -0.40 0.00 -0.55 0.00 0.00 0.00 176.54 175.62 3hqp h ASP 264 N -1.06 0.00 0.15 0.19 3.32 -1.84 -3.20 116.42 113.98 3hqp h ASP 264 Ca -0.08 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.76 3hqp h ASP 264 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 3hqp h ASP 264 CO 0.01 0.00 -0.85 0.25 -1.72 0.00 0.00 179.24 176.93 3hqp h LEU 265 N 0.00 0.66 -0.04 1.55 6.46 -1.14 -2.23 115.31 120.56 3hqp h LEU 265 Ca 0.00 -0.48 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 3hqp h LEU 265 Cb 0.81 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 3hqp h LEU 265 CO 0.00 1.26 0.00 0.61 -0.62 0.00 0.00 178.44 179.69 3hqp n GLY 266 N 0.78 -1.02 0.16 3.75 0.00 0.87 -0.57 105.19 109.16 3hqp n GLY 266 Ca -0.07 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.54 1.30 0.12 1.61 0.31 -1.21 -3.91 118.33 115.01 3hqp n VAL 267 Ca 0.03 -0.44 -0.03 0.00 -0.01 0.00 0.00 64.34 63.89 3hqp n VAL 267 Cb 0.18 -1.47 0.11 0.00 -0.91 0.00 0.00 33.84 31.75 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 -0.28 0.04 -6.68 5.55 4.57 -1.32 -3.43 114.58 113.02 3hqp h GLU 268 Ca -0.54 -0.03 -0.68 0.00 -1.18 0.00 0.00 59.36 56.93 3hqp h GLU 268 Cb 1.70 0.01 -0.19 0.00 -0.16 0.00 0.00 28.75 30.10 3hqp h GLU 268 CO -0.17 0.71 -0.80 -1.50 -1.18 0.00 0.00 179.01 176.07 3hqp s ILE 269 N -3.47 2.84 0.25 2.32 1.10 0.26 -4.63 121.20 119.87 3hqp s ILE 269 Ca -0.01 -1.42 -0.31 0.00 -0.51 0.00 0.00 60.65 58.40 3hqp s ILE 269 Cb 0.12 -2.28 -0.14 0.00 0.15 0.00 0.00 42.46 40.32 3hqp s ILE 269 CO 0.78 0.16 1.34 -2.65 -2.11 0.00 0.00 174.94 172.45 3hqp n PRO 270 N 0.98 1.90 -0.30 3.50 -0.02 -1.26 -4.38 135.00 135.42 3hqp n PRO 270 Ca -0.16 0.67 0.09 0.00 -2.02 0.00 0.00 63.50 62.09 3hqp n PRO 270 Cb 0.53 -2.28 0.22 0.00 -0.02 0.00 0.00 33.50 31.94 3hqp n PRO 270 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hqp h ALA 271 N 3.74 0.97 0.00 3.55 0.00 -1.90 0.77 119.26 126.39 3hqp h ALA 271 Ca -0.45 0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3hqp h ALA 271 Cb 1.29 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 3hqp h ALA 271 CO 0.72 -0.47 -0.21 1.05 0.00 0.00 0.00 179.25 180.34 3hqp h GLU 272 N 0.08 0.00 0.00 0.00 9.09 -1.93 -3.00 114.58 118.83 3hqp h GLU 272 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 3hqp h GLU 272 Cb 0.94 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.04 3hqp h GLU 272 CO -0.77 0.21 0.00 0.87 0.05 0.00 0.00 179.01 179.37 3hqp h LYS 273 N 0.00 0.00 -0.52 1.06 1.79 -1.18 -3.15 116.57 114.57 3hqp h LYS 273 Ca -0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 3hqp h LYS 273 Cb 0.61 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 3hqp h LYS 273 CO 0.03 0.00 0.16 0.28 -1.08 0.00 0.00 179.45 178.84 3hqp h VAL 274 N 0.00 1.21 -0.11 0.50 2.07 -1.60 -1.73 116.25 116.59 3hqp h VAL 274 Ca 0.00 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3hqp h VAL 274 Cb 0.46 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3hqp h VAL 274 CO 0.00 0.27 0.05 0.58 0.02 0.00 0.00 177.57 178.49 3hqp h VAL 275 N 0.76 1.10 -0.13 2.57 2.07 -1.77 0.12 116.25 120.98 3hqp h VAL 275 Ca 0.17 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3hqp h VAL 275 Cb 0.23 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3hqp h VAL 275 CO -0.01 0.09 0.07 0.58 0.02 0.00 0.00 177.57 178.32 3hqp h VAL 276 N 0.06 1.10 -1.00 2.57 2.07 -1.72 -2.51 116.25 116.82 3hqp h VAL 276 Ca 0.04 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.37 3hqp h VAL 276 Cb 0.10 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 3hqp h VAL 276 CO -0.01 0.09 0.64 0.00 0.02 0.00 0.00 177.57 178.31 3hqp h ALA 277 N 0.96 1.46 -0.30 1.67 0.00 -1.17 -1.45 119.26 120.43 3hqp h ALA 277 Ca 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hqp h ALA 277 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hqp h ALA 277 CO -0.01 0.35 0.11 0.37 0.00 0.00 0.00 179.25 180.07 3hqp h GLN 278 N 1.09 0.46 -0.67 0.00 4.15 -0.55 -1.15 115.11 118.44 3hqp h GLN 278 Ca 0.46 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.76 3hqp h GLN 278 Cb 0.31 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 3hqp h GLN 278 CO -0.21 0.49 0.32 0.87 -1.93 0.00 0.00 178.83 178.36 3hqp h LYS 279 N 0.34 0.96 0.29 1.69 1.57 -1.01 -2.34 116.57 118.07 3hqp h LYS 279 Ca 0.10 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3hqp h LYS 279 Cb 0.21 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3hqp h LYS 279 CO -0.01 0.75 -0.14 0.82 -0.57 0.00 0.00 179.45 180.30 3hqp h ILE 280 N 0.95 0.72 -0.36 1.86 2.04 -1.07 -2.81 117.51 118.85 3hqp h ILE 280 Ca 0.23 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 3hqp h ILE 280 Cb 0.11 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3hqp h ILE 280 CO -0.03 0.12 -0.08 -0.07 0.00 0.00 0.00 178.15 178.09 3hqp h LEU 281 N -0.75 0.58 -0.14 1.44 3.38 -1.19 -0.67 115.31 117.95 3hqp h LEU 281 Ca -0.04 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3hqp h LEU 281 Cb 0.50 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hqp h LEU 281 CO 0.06 0.71 -0.15 0.40 0.09 0.00 0.00 178.44 179.56 3hqp h ILE 282 N 0.56 1.35 -0.16 1.22 2.04 -1.52 -2.73 117.51 118.26 3hqp h ILE 282 Ca 0.11 -1.31 -0.08 0.00 1.00 0.00 0.00 64.86 64.58 3hqp h ILE 282 Cb 0.48 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 3hqp h ILE 282 CO 0.03 0.38 -0.26 0.28 0.00 0.00 0.00 178.15 178.57 3hqp h SER 283 N -0.02 0.30 -0.13 1.72 0.02 -1.27 -1.48 113.55 112.69 3hqp h SER 283 Ca 0.02 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 3hqp h SER 283 Cb 0.68 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 3hqp h SER 283 CO 0.04 0.57 -0.23 0.11 -1.14 0.00 0.00 176.83 176.17 3hqp h LYS 284 N 0.27 0.57 -0.05 3.45 1.57 -1.17 -2.85 116.57 118.37 3hqp h LYS 284 Ca 0.04 -0.21 -0.20 0.00 -1.87 0.00 0.00 60.65 58.41 3hqp h LYS 284 Cb 0.62 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 3hqp h LYS 284 CO 0.04 0.76 -0.80 0.00 -0.57 0.00 0.00 179.45 178.88 3hqp h ASN 286 N 0.25 0.69 -0.34 0.00 -0.26 -1.28 0.37 115.58 115.02 3hqp h ASN 286 Ca -0.05 -0.18 -0.16 0.00 -0.56 0.00 0.00 56.30 55.35 3hqp h ASN 286 Cb 1.40 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 38.47 3hqp h ASN 286 CO 0.14 0.80 -0.43 0.58 -1.06 0.00 0.00 177.43 177.46 3hqp h VAL 287 N 0.66 1.28 0.00 2.81 2.07 -1.48 -3.11 116.25 118.48 3hqp h VAL 287 Ca 0.13 -1.60 -0.11 0.00 0.82 0.00 0.00 66.70 65.93 3hqp h VAL 287 Cb 0.49 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3hqp h VAL 287 CO 0.03 0.53 -0.51 0.00 0.02 0.00 0.00 177.57 177.63 3hqp h ALA 288 N 0.73 1.08 -0.56 1.67 0.00 -1.15 -3.48 119.26 117.55 3hqp h ALA 288 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hqp h ALA 288 Cb 1.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3hqp h ALA 288 CO 0.10 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.40 3hqp n GLY 289 N 0.07 0.76 3.22 0.00 0.00 0.11 -5.08 105.19 104.27 3hqp n GLY 289 Ca -0.01 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.38 2.06 0.07 1.61 1.02 -0.03 -4.82 119.74 115.27 3hqp s LYS 290 Ca 0.00 -0.78 -0.37 0.00 0.02 0.00 0.00 55.97 54.84 3hqp s LYS 290 Cb 0.00 -1.84 -0.18 0.00 -0.52 0.00 0.00 37.83 35.30 3hqp s LYS 290 CO 0.00 0.38 1.25 -2.30 -0.92 0.00 0.00 175.35 173.76 3hqp n PRO 291 N 2.86 0.83 -4.65 -1.68 -0.02 -1.25 -4.48 135.00 126.61 3hqp n PRO 291 Ca -0.17 0.30 -0.27 0.00 -2.02 0.00 0.00 63.50 61.34 3hqp n PRO 291 Cb 0.52 -1.89 -0.17 0.00 -0.02 0.00 0.00 33.50 31.94 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 0.31 1.35 -0.15 -1.45 0.11 -1.26 -0.52 120.40 118.79 3hqp s VAL 292 Ca 0.86 -0.59 -0.02 0.00 -2.93 0.00 0.00 61.98 59.30 3hqp s VAL 292 Cb -1.03 -1.22 -0.02 0.00 -1.53 0.00 0.00 36.38 32.58 3hqp s VAL 292 CO 0.50 0.40 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.95 3hqp s ILE 293 N 0.70 3.34 0.00 7.04 1.01 0.99 -1.71 121.20 132.58 3hqp s ILE 293 Ca -0.13 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 59.79 3hqp s ILE 293 Cb -0.16 -2.44 -0.06 0.00 0.01 0.00 0.00 42.46 39.81 3hqp s ILE 293 CO 0.03 0.50 0.51 0.00 0.00 0.00 0.00 174.94 175.98 3hqp s ALA 295 N -0.62 -0.24 0.01 0.00 0.00 -1.18 -0.75 121.76 118.99 3hqp s ALA 295 Ca 0.27 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.84 3hqp s ALA 295 Cb -0.18 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3hqp s ALA 295 CO 0.15 -0.34 0.00 2.41 0.00 0.00 0.00 175.76 177.98 3hqp n THR 296 N 0.72 -1.31 -1.41 0.00 -1.04 -1.26 -3.51 114.28 106.48 3hqp n THR 296 Ca -0.19 0.10 -0.14 0.00 -2.04 0.00 0.00 64.05 61.78 3hqp n THR 296 Cb 0.59 -1.20 -0.06 0.00 -1.82 0.00 0.00 70.33 67.84 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 -0.41 -1.46 -2.84 -2.82 6.02 -1.26 -4.78 117.38 109.83 3hqp n GLN 297 Ca 0.00 0.98 -0.42 0.00 -0.01 0.00 0.00 57.00 57.56 3hqp n GLN 297 Cb 0.00 -5.31 -0.04 0.00 1.02 0.00 0.00 30.24 25.92 3hqp n GLN 297 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3hqp s MET 298 N -3.14 4.33 -1.52 -1.09 -1.94 -1.26 -3.71 119.30 110.96 3hqp s MET 298 Ca 0.00 1.10 -0.04 0.00 -1.71 0.00 0.00 55.69 55.04 3hqp s MET 298 Cb 0.00 -3.57 0.00 0.00 2.01 0.00 0.00 34.83 33.28 3hqp s MET 298 CO 0.00 -0.32 0.50 1.28 -0.01 0.00 0.00 175.02 176.46 3hqp n LEU 299 N 5.18 -2.54 -0.15 -0.03 4.77 -1.26 -4.88 117.00 118.09 3hqp n LEU 299 Ca 0.05 -0.24 -0.03 0.00 -0.03 0.00 0.00 56.01 55.77 3hqp n LEU 299 Cb 0.49 -2.86 0.06 0.00 -2.33 0.00 0.00 43.42 38.77 3hqp n LEU 299 CO 0.49 0.16 0.94 -0.08 -1.33 0.00 0.00 177.39 177.57 3hqp h GLU 300 N -1.14 0.29 0.00 3.23 4.57 -1.97 -2.03 114.58 117.53 3hqp h GLU 300 Ca -0.50 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3hqp h GLU 300 Cb 1.35 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 3hqp h GLU 300 CO 0.55 0.19 0.00 -1.13 -1.18 0.00 0.00 179.01 177.44 3hqp n SER 301 N -5.05 0.00 -0.22 1.04 3.41 -1.26 -2.08 113.62 109.46 3hqp n SER 301 Ca 0.05 0.27 0.15 0.00 -0.26 0.00 0.00 58.87 59.08 3hqp n SER 301 Cb 0.21 -0.36 0.73 0.00 -0.26 0.00 0.00 64.21 64.53 3hqp n SER 301 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hqp n MET 302 N -1.36 1.25 0.22 4.33 2.81 -0.76 -2.05 117.12 121.55 3hqp n MET 302 Ca 0.04 -0.44 0.15 0.00 -1.81 0.00 0.00 57.70 55.64 3hqp n MET 302 Cb 0.09 -1.49 0.72 0.00 -0.71 0.00 0.00 33.22 31.83 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 1.07 0.00 0.00 2.03 2.02 -1.59 -3.28 112.91 113.16 3hqp h THR 303 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3hqp h THR 303 Cb 0.25 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3hqp h THR 303 CO 0.00 0.00 -0.49 -1.22 0.37 0.00 0.00 175.52 174.18 3hqp n TYR 304 N -2.64 0.00 -4.13 3.16 4.02 -1.19 -1.97 117.16 114.40 3hqp n TYR 304 Ca -0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.59 3hqp n TYR 304 Cb 0.17 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.41 3hqp n TYR 304 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3hqp s ASN 305 N -1.47 5.04 0.45 7.72 0.02 -0.87 -4.92 114.94 120.90 3hqp s ASN 305 Ca 0.00 -0.20 0.25 0.00 -1.02 0.00 0.00 52.86 51.89 3hqp s ASN 305 Cb 0.00 -1.19 0.77 0.00 0.02 0.00 0.00 41.25 40.84 3hqp s ASN 305 CO 0.00 0.15 1.76 -0.65 0.02 0.00 0.00 177.10 178.38 3hqp h PRO 306 N 3.25 0.00 -4.41 -0.60 0.11 -1.89 -3.39 132.00 125.08 3hqp h PRO 306 Ca -0.48 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.33 3hqp h PRO 306 Cb 1.17 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.03 3hqp h PRO 306 CO 0.60 0.13 -0.75 -0.98 -0.21 0.00 0.00 178.00 176.80 3hqp s ARG 307 N -3.44 0.46 0.83 1.05 1.70 -1.26 -4.76 118.95 113.54 3hqp s ARG 307 Ca 0.03 -0.41 -0.09 0.00 -0.47 0.00 0.00 55.73 54.79 3hqp s ARG 307 Cb 0.08 -0.36 0.15 0.00 -0.57 0.00 0.00 34.95 34.25 3hqp s ARG 307 CO 0.63 0.09 1.16 -1.25 -1.08 0.00 0.00 175.30 174.85 3hqp s PRO 308 N -0.69 1.28 0.62 3.89 0.04 -1.26 -4.78 135.00 134.10 3hqp s PRO 308 Ca -0.03 -0.63 -0.12 0.00 0.04 0.00 0.00 61.00 60.27 3hqp s PRO 308 Cb -0.05 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3hqp s PRO 308 CO 0.00 -1.87 1.03 0.95 0.04 0.00 0.00 177.00 177.15 3hqp s THR 309 N -3.52 4.48 0.47 1.26 -4.23 -1.26 -4.92 115.64 107.93 3hqp s THR 309 Ca 0.69 0.88 0.21 0.00 -1.18 0.00 0.00 61.69 62.28 3hqp s THR 309 Cb -0.06 -3.71 0.25 0.00 1.34 0.00 0.00 72.50 70.32 3hqp s THR 309 CO 0.49 -0.98 2.08 0.03 -0.54 0.00 0.00 174.62 175.69 3hqp h ARG 310 N -0.19 0.00 -0.44 3.99 2.47 -1.99 -1.29 114.38 116.93 3hqp h ARG 310 Ca -0.44 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.18 3hqp h ARG 310 Cb 1.20 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.50 3hqp h ARG 310 CO 0.60 0.11 -0.10 0.00 0.56 0.00 0.00 179.97 181.14 3hqp h ALA 311 N 1.89 0.98 -0.05 0.04 0.00 -1.99 -1.35 119.26 118.78 3hqp h ALA 311 Ca -0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.39 3hqp h ALA 311 Cb 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hqp h ALA 311 CO 0.01 0.61 -0.83 0.93 0.00 0.00 0.00 179.25 179.97 3hqp h GLU 312 N 0.72 0.44 -0.13 0.00 5.08 -1.65 -1.77 114.58 117.26 3hqp h GLU 312 Ca 0.12 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3hqp h GLU 312 Cb 0.59 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3hqp h GLU 312 CO 0.04 1.06 0.07 0.28 -1.00 0.00 0.00 179.01 179.46 3hqp h VAL 313 N 0.27 1.09 -0.83 3.13 2.07 -1.23 -2.79 116.25 117.96 3hqp h VAL 313 Ca -0.06 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 3hqp h VAL 313 Cb 1.44 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 3hqp h VAL 313 CO 0.15 0.09 0.37 -1.28 0.02 0.00 0.00 177.57 176.91 3hqp h SER 314 N 0.12 1.12 -0.89 0.57 0.87 -1.25 -2.74 113.55 111.33 3hqp h SER 314 Ca 0.05 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 3hqp h SER 314 Cb 0.07 -0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 61.70 3hqp h SER 314 CO -0.01 0.96 0.49 -0.78 -0.53 0.00 0.00 176.83 176.96 3hqp h ASP 315 N 1.20 1.12 -0.06 6.23 3.58 -1.26 -0.49 116.42 126.73 3hqp h ASP 315 Ca 0.28 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 3hqp h ASP 315 Cb 0.16 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.93 3hqp h ASP 315 CO -0.03 0.90 -0.04 0.58 -2.88 0.00 0.00 179.24 177.76 3hqp h VAL 316 N 1.25 1.35 -0.68 2.25 2.07 -1.37 -1.95 116.25 119.17 3hqp h VAL 316 Ca 0.31 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 3hqp h VAL 316 Cb 0.03 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 3hqp h VAL 316 CO -0.05 0.31 0.18 0.00 0.02 0.00 0.00 177.57 178.02 3hqp h ALA 317 N 0.59 1.04 0.00 1.67 0.00 -1.42 -2.75 119.26 118.39 3hqp h ALA 317 Ca 0.01 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3hqp h ALA 317 Cb 0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hqp h ALA 317 CO 0.01 0.63 -0.40 -0.91 0.00 0.00 0.00 179.25 178.59 3hqp h ASN 318 N 1.01 0.00 -0.59 0.00 2.35 -1.11 -1.03 115.58 116.22 3hqp h ASN 318 Ca 0.22 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.90 3hqp h ASN 318 Cb 0.33 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 3hqp h ASN 318 CO -0.00 0.40 0.12 0.00 -1.65 0.00 0.00 177.43 176.29 3hqp h ALA 319 N 1.60 1.04 -0.32 -0.83 0.00 -1.06 -0.34 119.26 119.35 3hqp h ALA 319 Ca -0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 3hqp h ALA 319 Cb 0.79 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3hqp h ALA 319 CO 0.05 0.62 -0.45 0.28 0.00 0.00 0.00 179.25 179.76 3hqp h VAL 320 N 0.94 1.28 -0.82 0.00 2.07 -1.27 -2.06 116.25 116.38 3hqp h VAL 320 Ca 0.19 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 3hqp h VAL 320 Cb 0.38 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3hqp h VAL 320 CO 0.01 0.53 0.42 -0.26 0.02 0.00 0.00 177.57 178.29 3hqp h PHE 321 N 0.66 1.16 0.00 1.57 0.04 -0.93 -1.80 116.94 117.64 3hqp h PHE 321 Ca 0.04 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3hqp h PHE 321 Cb 1.03 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 38.81 3hqp h PHE 321 CO 0.06 0.82 -0.06 -0.91 -0.60 0.00 0.00 178.31 177.62 3hqp h ASN 322 N 1.16 0.00 0.00 2.17 -0.26 -1.06 -3.46 115.58 114.12 3hqp h ASN 322 Ca 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 3hqp h ASN 322 Cb 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 3hqp h ASN 322 CO -0.04 0.06 0.00 0.61 -1.06 0.00 0.00 177.43 177.00 3hqp n GLY 323 N -0.62 1.52 3.76 2.83 0.00 -0.68 -4.59 105.19 107.42 3hqp n GLY 323 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 3.42 0.05 4.61 0.00 -0.79 -4.92 121.76 122.13 3hqp s ALA 324 Ca 0.00 0.95 -0.16 0.00 0.00 0.00 0.00 51.96 52.75 3hqp s ALA 324 Cb 0.00 -3.35 -0.22 0.00 0.00 0.00 0.00 23.12 19.55 3hqp s ALA 324 CO 0.00 -0.23 1.17 -0.44 0.00 0.00 0.00 175.76 176.26 3hqp h ASP 325 N 3.81 0.77 -4.24 0.00 5.19 -1.65 -3.45 116.42 116.83 3hqp h ASP 325 Ca -0.47 -0.73 -0.40 0.00 -0.62 0.00 0.00 57.03 54.81 3hqp h ASP 325 Cb 1.21 -0.23 -0.26 0.00 0.18 0.00 0.00 39.33 40.23 3hqp h ASP 325 CO 0.67 1.39 -0.78 0.00 -3.12 0.00 0.00 179.24 177.40 3hqp s VAL 327 N -0.60 2.49 -0.02 0.00 -7.23 -0.98 -0.21 120.40 113.84 3hqp s VAL 327 Ca 0.01 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.34 3hqp s VAL 327 Cb -0.06 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 3hqp s VAL 327 CO 0.00 0.55 -0.06 -0.32 -0.31 0.00 0.00 175.10 174.96 3hqp s MET 328 N 0.30 2.66 -0.17 4.82 1.75 0.07 -2.22 119.30 126.52 3hqp s MET 328 Ca -0.14 -0.64 -0.03 0.00 -1.25 0.00 0.00 55.69 53.63 3hqp s MET 328 Cb -0.17 -2.56 -0.02 0.00 2.84 0.00 0.00 34.83 34.92 3hqp s MET 328 CO 0.07 0.63 -0.06 -0.51 -0.65 0.00 0.00 175.02 174.50 3hqp s LEU 329 N -1.21 3.00 0.00 4.11 1.43 -0.05 -4.17 118.68 121.79 3hqp s LEU 329 Ca 0.16 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3hqp s LEU 329 Cb -0.11 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.38 3hqp s LEU 329 CO 0.06 0.11 0.00 -1.20 0.23 0.00 0.00 176.35 175.54 3hqp n SER 330 N 3.94 0.00 0.00 2.29 7.64 -1.26 -2.37 113.62 123.86 3hqp n SER 330 Ca -0.18 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.74 3hqp n SER 330 Cb 0.52 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.88 3hqp n SER 330 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hqp n GLY 331 N 4.06 -0.68 0.12 0.23 0.00 -1.26 -2.60 105.19 105.07 3hqp n GLY 331 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 3hqp n GLY 331 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hqp h GLU 332 N 0.00 0.05 0.00 1.61 3.07 -1.91 -3.12 114.58 114.27 3hqp h GLU 332 Ca 0.00 -0.05 -0.29 0.00 -0.50 0.00 0.00 59.36 58.53 3hqp h GLU 332 Cb 0.11 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 27.98 3hqp h GLU 332 CO 0.00 0.77 -2.08 0.25 -1.40 0.00 0.00 179.01 176.55 3hqp n THR 333 N -3.68 1.08 -0.03 1.13 -2.24 -1.07 -3.65 114.28 105.82 3hqp n THR 333 Ca -0.01 -0.60 -0.14 0.00 -2.27 0.00 0.00 64.05 61.03 3hqp n THR 333 Cb 0.72 -0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 68.09 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 0.56 0.05 -0.03 6.98 0.00 -1.53 -3.36 119.26 121.93 3hqp h ALA 334 Ca -0.43 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3hqp h ALA 334 Cb 1.88 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3hqp h ALA 334 CO -0.00 -0.03 0.00 0.36 0.00 0.00 0.00 179.25 179.58 3hqp n LYS 335 N -4.64 0.30 -1.25 0.00 2.85 -1.22 -0.59 118.16 113.61 3hqp n LYS 335 Ca -0.09 -1.00 -0.31 0.00 -1.05 0.00 0.00 58.31 55.87 3hqp n LYS 335 Cb 0.40 -1.12 0.10 0.00 -0.65 0.00 0.00 35.03 33.76 3hqp n LYS 335 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3hqp s GLY 336 N -0.57 1.67 -0.07 2.58 0.00 -1.18 -4.90 107.32 104.85 3hqp s GLY 336 Ca 0.08 0.21 0.12 0.00 0.00 0.00 0.00 44.72 45.12 3hqp s GLY 336 CO 0.07 0.58 0.58 0.28 0.00 0.00 0.00 173.10 174.61 3hqp n LYS 337 N -3.58 0.64 -3.49 2.90 5.02 -0.83 -4.60 118.16 114.22 3hqp n LYS 337 Ca 0.09 0.26 -0.27 0.00 -2.02 0.00 0.00 58.31 56.37 3hqp n LYS 337 Cb 0.53 -1.76 -0.09 0.00 -0.02 0.00 0.00 35.03 33.70 3hqp n LYS 337 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hqp n TYR 338 N -3.04 3.40 0.10 2.13 4.01 -1.26 -4.95 117.16 117.56 3hqp n TYR 338 Ca -0.20 -4.16 -0.04 0.00 -0.16 0.00 0.00 57.90 53.35 3hqp n TYR 338 Cb 1.06 -0.56 0.13 0.00 -0.31 0.00 0.00 39.34 39.67 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 4.38 0.17 -0.05 -0.72 0.11 -1.81 -2.33 132.00 131.74 3hqp h PRO 339 Ca 0.19 -0.12 -0.13 0.00 0.11 0.00 0.00 66.00 66.05 3hqp h PRO 339 Cb 0.69 0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.82 3hqp h PRO 339 CO 0.80 0.73 -0.46 -0.91 -0.21 0.00 0.00 178.00 177.95 3hqp h ASN 340 N 0.12 0.49 0.31 -2.05 2.35 -1.92 -3.26 115.58 111.62 3hqp h ASN 340 Ca -0.01 -0.69 -0.10 0.00 -0.55 0.00 0.00 56.30 54.94 3hqp h ASN 340 Cb 1.11 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 3hqp h ASN 340 CO 0.09 1.11 -0.43 -0.33 -1.65 0.00 0.00 177.43 176.22 3hqp h GLU 341 N -0.09 0.15 -0.08 0.81 3.07 -1.92 -0.90 114.58 115.62 3hqp h GLU 341 Ca -0.04 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.62 3hqp h GLU 341 Cb 1.14 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.03 3hqp h GLU 341 CO 0.09 0.56 -0.48 -0.24 -1.40 0.00 0.00 179.01 177.55 3hqp h VAL 342 N 0.13 1.34 0.21 3.13 3.04 -1.53 -2.29 116.25 120.28 3hqp h VAL 342 Ca 0.01 -1.68 -0.34 0.00 -1.01 0.00 0.00 66.70 63.68 3hqp h VAL 342 Cb 0.82 1.81 0.02 0.00 -2.01 0.00 0.00 31.29 31.93 3hqp h VAL 342 CO 0.06 0.50 -1.58 0.58 -1.01 0.00 0.00 177.57 176.12 3hqp h VAL 343 N 0.17 1.15 -0.71 1.51 2.07 -1.54 -2.86 116.25 116.04 3hqp h VAL 343 Ca 0.01 -2.66 0.06 0.00 0.82 0.00 0.00 66.70 64.93 3hqp h VAL 343 Cb 0.91 2.91 -0.04 0.00 -1.52 0.00 0.00 31.29 33.55 3hqp h VAL 343 CO 0.07 0.84 0.47 1.56 0.02 0.00 0.00 177.57 180.53 3hqp h GLN 344 N 0.12 0.74 -0.01 1.57 4.20 -1.15 -0.54 115.11 120.04 3hqp h GLN 344 Ca -0.28 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 3hqp h GLN 344 Cb 2.12 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 29.74 3hqp h GLN 344 CO 0.23 0.49 -0.01 1.88 -0.67 0.00 0.00 178.83 180.75 3hqp h TYR 345 N 0.76 0.03 0.00 2.96 0.05 -1.50 -2.29 116.97 116.98 3hqp h TYR 345 Ca 0.30 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.08 3hqp h TYR 345 Cb 0.22 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.96 3hqp h TYR 345 CO -0.00 0.45 0.00 -0.12 -1.05 0.00 0.00 178.16 177.44 3hqp n MET 346 N -4.86 0.11 -0.09 4.88 1.56 -0.80 -0.43 117.12 117.49 3hqp n MET 346 Ca -0.08 0.20 -0.21 0.00 -0.27 0.00 0.00 57.70 57.34 3hqp n MET 346 Cb 0.23 -1.50 -0.12 0.00 2.15 0.00 0.00 33.22 33.98 3hqp n MET 346 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3hqp n ALA 347 N -1.26 1.18 0.07 -5.12 0.00 -0.28 -4.04 120.51 111.05 3hqp n ALA 347 Ca 0.03 -0.90 -0.08 0.00 0.00 0.00 0.00 53.44 52.50 3hqp n ALA 347 Cb 0.05 -0.27 0.06 0.00 0.00 0.00 0.00 19.45 19.30 3hqp n ALA 347 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3hqp h ARG 348 N -0.26 0.30 -0.25 0.00 2.43 -0.64 -2.30 114.38 113.67 3hqp h ARG 348 Ca -0.54 -0.24 -0.16 0.00 -0.81 0.00 0.00 59.98 58.24 3hqp h ARG 348 Cb 1.83 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 3hqp h ARG 348 CO -0.11 0.88 -0.47 0.82 -1.51 0.00 0.00 179.97 179.58 3hqp h ILE 349 N 0.21 1.30 -0.01 1.20 2.04 -0.98 -2.52 117.51 118.75 3hqp h ILE 349 Ca -0.02 -1.68 -0.07 0.00 1.00 0.00 0.00 64.86 64.09 3hqp h ILE 349 Cb 1.25 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 3hqp h ILE 349 CO 0.11 0.53 -0.33 0.00 0.00 0.00 0.00 178.15 178.46 3hqp h LEU 351 N 0.01 0.00 0.11 0.00 3.38 -1.34 -2.54 115.31 114.94 3hqp h LEU 351 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 3hqp h LEU 351 Cb 0.60 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.37 3hqp h LEU 351 CO 0.04 0.49 -0.99 -0.08 0.09 0.00 0.00 178.44 177.99 3hqp h GLU 352 N 0.00 0.47 -0.22 1.13 4.57 -1.04 -3.05 114.58 116.44 3hqp h GLU 352 Ca -0.00 -0.66 -0.05 0.00 -1.18 0.00 0.00 59.36 57.46 3hqp h GLU 352 Cb 1.06 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 3hqp h GLU 352 CO 0.06 1.28 -0.09 0.00 -1.18 0.00 0.00 179.01 179.08 3hqp h ALA 353 N 0.21 1.44 -0.29 2.92 0.00 -1.31 -2.27 119.26 119.97 3hqp h ALA 353 Ca -0.16 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 3hqp h ALA 353 Cb 1.72 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3hqp h ALA 353 CO 0.19 0.39 -0.35 0.37 0.00 0.00 0.00 179.25 179.85 3hqp h GLN 354 N 0.33 0.64 0.00 0.00 4.15 -1.55 0.22 115.11 118.90 3hqp h GLN 354 Ca 0.07 -0.30 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 3hqp h GLN 354 Cb 0.38 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 3hqp h GLN 354 CO 0.02 0.90 -0.08 0.77 -1.93 0.00 0.00 178.83 178.51 3hqp h SER 355 N 0.54 0.00 0.22 -0.69 0.02 -1.30 -3.06 113.55 109.27 3hqp h SER 355 Ca 0.06 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.67 3hqp h SER 355 Cb 0.85 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.33 3hqp h SER 355 CO 0.07 0.08 -2.08 0.00 -1.14 0.00 0.00 176.83 173.76 3hqp n ALA 356 N -2.15 1.49 -1.74 3.77 0.00 -0.96 -4.99 120.51 115.93 3hqp n ALA 356 Ca -0.00 -1.07 -0.37 0.00 0.00 0.00 0.00 53.44 51.99 3hqp n ALA 356 Cb 0.31 -0.49 0.05 0.00 0.00 0.00 0.00 19.45 19.32 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 -5.78 3.69 -0.52 0.00 2.96 0.04 -5.00 118.68 114.07 3hqp s LEU 357 Ca -0.08 2.61 -0.07 0.00 -0.22 0.00 0.00 54.13 56.37 3hqp s LEU 357 Cb 0.07 -4.50 0.13 0.00 0.50 0.00 0.00 46.19 42.39 3hqp s LEU 357 CO 0.83 -1.76 0.38 0.21 -1.32 0.00 0.00 176.35 174.68 3hqp s ASN 358 N -1.30 5.64 0.28 3.68 3.84 -1.26 -4.95 114.94 120.87 3hqp s ASN 358 Ca 0.78 -2.17 0.12 0.00 0.21 0.00 0.00 52.86 51.80 3hqp s ASN 358 Cb -0.37 -1.97 0.36 0.00 -0.55 0.00 0.00 41.25 38.72 3hqp s ASN 358 CO 0.41 -0.60 1.60 -0.33 -2.79 0.00 0.00 177.10 175.38 3hqp h GLU 359 N 8.07 0.00 -0.69 0.43 3.07 -1.93 -2.33 114.58 121.19 3hqp h GLU 359 Ca -0.13 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.65 3hqp h GLU 359 Cb 1.04 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.93 3hqp h GLU 359 CO 0.80 0.60 0.14 -0.92 -1.40 0.00 0.00 179.01 178.23 3hqp h TYR 360 N 0.00 1.19 -0.12 4.33 3.20 -1.93 0.23 116.97 123.87 3hqp h TYR 360 Ca -0.01 -0.15 -0.18 0.00 3.14 0.00 0.00 58.73 61.54 3hqp h TYR 360 Cb 1.13 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 3hqp h TYR 360 CO 0.00 0.98 -0.66 0.28 -1.64 0.00 0.00 178.16 177.12 3hqp h VAL 361 N 1.06 1.35 -0.55 1.81 2.07 -1.95 -2.42 116.25 117.61 3hqp h VAL 361 Ca 0.21 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 3hqp h VAL 361 Cb 0.41 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 3hqp h VAL 361 CO 0.01 0.61 0.30 0.15 0.02 0.00 0.00 177.57 178.66 3hqp h PHE 362 N 0.35 0.76 0.17 1.57 -0.00 -1.02 -0.02 116.94 118.75 3hqp h PHE 362 Ca -0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 57.93 3hqp h PHE 362 Cb 1.22 -0.24 0.00 0.00 -0.00 0.00 0.00 35.95 36.93 3hqp h PHE 362 CO 0.05 0.56 -0.09 0.35 -0.00 0.00 0.00 178.31 179.17 3hqp h PHE 363 N 0.74 -0.24 0.00 0.41 3.57 -0.54 -2.06 116.94 118.84 3hqp h PHE 363 Ca 0.19 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 3hqp h PHE 363 Cb 0.05 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3hqp h PHE 363 CO -0.01 -0.15 -0.30 -0.91 -2.23 0.00 0.00 178.31 174.71 3hqp h ASN 364 N -0.25 0.00 -0.29 0.41 2.35 -1.31 -0.83 115.58 115.67 3hqp h ASN 364 Ca -0.02 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.58 3hqp h ASN 364 Cb 0.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 3hqp h ASN 364 CO 0.03 0.30 -0.39 0.28 -1.65 0.00 0.00 177.43 176.00 3hqp h SER 365 N 0.00 0.84 -0.18 5.81 0.02 -0.88 -2.90 113.55 116.27 3hqp h SER 365 Ca -0.00 -0.50 -0.10 0.00 -0.84 0.00 0.00 61.79 60.35 3hqp h SER 365 Cb 0.58 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 3hqp h SER 365 CO 0.04 1.18 -0.27 0.40 -1.14 0.00 0.00 176.83 177.03 3hqp h ILE 366 N 0.53 1.34 -0.87 3.27 2.04 -1.06 -3.22 117.51 119.54 3hqp h ILE 366 Ca 0.03 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.40 3hqp h ILE 366 Cb 0.98 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.91 3hqp h ILE 366 CO 0.09 0.45 0.56 0.50 0.00 0.00 0.00 178.15 179.76 3hqp h LYS 367 N 0.14 1.16 0.00 2.37 3.64 -1.24 -2.57 116.57 120.07 3hqp h LYS 367 Ca 0.02 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hqp h LYS 367 Cb 0.85 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3hqp h LYS 367 CO 0.06 0.78 0.00 1.63 -2.27 0.00 0.00 179.45 179.65 3hqp n LYS 368 N -4.46 0.13 0.00 1.90 4.01 -1.09 -3.21 118.16 115.43 3hqp n LYS 368 Ca 0.09 0.29 0.10 0.00 -0.51 0.00 0.00 58.31 58.29 3hqp n LYS 368 Cb 0.03 -1.71 0.05 0.00 -0.51 0.00 0.00 35.03 32.89 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 -1.94 2.43 -4.79 -0.35 4.77 -0.97 -4.98 117.00 111.17 3hqp n LEU 369 Ca 0.04 -0.90 -0.37 0.00 -0.03 0.00 0.00 56.01 54.74 3hqp n LEU 369 Cb 0.25 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 3hqp n LEU 369 CO 0.20 0.43 0.55 -1.10 -1.33 0.00 0.00 177.39 176.13 3hqp s GLN 370 N -1.99 4.45 -0.14 3.23 -1.52 -1.20 -5.01 119.66 117.49 3hqp s GLN 370 Ca 0.22 1.13 -0.29 0.00 -1.95 0.00 0.00 55.36 54.47 3hqp s GLN 370 Cb 0.17 -2.87 -0.04 0.00 -0.22 0.00 0.00 33.01 30.06 3hqp s GLN 370 CO 0.37 0.35 1.54 -1.58 -0.25 0.00 0.00 175.29 175.72 3hqp s HIS 371 N -1.55 2.24 -0.12 0.91 5.65 -1.26 -5.00 115.29 116.17 3hqp s HIS 371 Ca 0.46 0.51 -0.12 0.00 0.25 0.00 0.00 55.06 56.16 3hqp s HIS 371 Cb -0.18 -3.84 -0.05 0.00 -1.18 0.00 0.00 32.58 27.33 3hqp s HIS 371 CO 0.23 -3.01 0.27 0.42 -0.65 0.00 0.00 174.74 172.00 3hqp s ILE 372 N 4.28 5.30 0.17 0.89 1.01 -1.26 -3.27 121.20 128.32 3hqp s ILE 372 Ca 0.68 0.51 -0.30 0.00 0.00 0.00 0.00 60.65 61.54 3hqp s ILE 372 Cb -0.28 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 38.53 3hqp s ILE 372 CO 0.26 0.48 1.02 -2.16 0.00 0.00 0.00 174.94 174.53 3hqp s PRO 373 N -0.19 4.69 0.31 2.79 0.04 -1.26 -5.17 135.00 136.21 3hqp s PRO 373 Ca 0.17 1.58 -0.25 0.00 0.04 0.00 0.00 61.00 62.54 3hqp s PRO 373 Cb -0.13 -3.31 -0.10 0.00 0.04 0.00 0.00 34.50 31.00 3hqp s PRO 373 CO 0.05 0.23 0.91 -1.64 0.04 0.00 0.00 177.00 176.59 3hqp s MET 374 N -0.49 4.52 0.61 4.56 -1.94 -1.20 -5.05 119.30 120.31 3hqp s MET 374 Ca 0.46 1.24 -0.18 0.00 -1.71 0.00 0.00 55.69 55.50 3hqp s MET 374 Cb -0.27 -2.80 -0.03 0.00 2.01 0.00 0.00 34.83 33.75 3hqp s MET 374 CO 0.33 0.29 1.22 -1.54 -0.01 0.00 0.00 175.02 175.31 3hqp s SER 375 N -1.64 5.05 0.43 3.03 1.04 -1.26 -4.66 113.70 115.69 3hqp s SER 375 Ca 0.49 2.42 0.23 0.00 0.48 0.00 0.00 55.95 59.57 3hqp s SER 375 Cb -0.18 -2.60 1.23 0.00 0.10 0.00 0.00 66.02 64.57 3hqp s SER 375 CO 0.23 -1.69 1.76 0.00 0.98 0.00 0.00 173.24 174.52 3hqp h ALA 376 N 0.76 2.46 -0.31 5.32 0.00 -1.96 0.11 119.26 125.64 3hqp h ALA 376 Ca -0.50 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3hqp h ALA 376 Cb 1.30 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3hqp h ALA 376 CO 0.55 -0.87 0.14 0.22 0.00 0.00 0.00 179.25 179.28 3hqp h ASP 377 N 0.28 0.42 0.09 0.00 -0.00 -1.91 -2.47 116.42 112.84 3hqp h ASP 377 Ca 0.61 -0.15 -0.27 0.00 -0.00 0.00 0.00 57.03 57.22 3hqp h ASP 377 Cb 1.76 -0.11 0.02 0.00 -0.00 0.00 0.00 39.33 41.00 3hqp h ASP 377 CO -0.25 0.45 -1.09 -0.08 -0.00 0.00 0.00 179.24 178.27 3hqp h GLU 378 N 0.36 0.64 -0.13 0.28 4.81 -1.21 -3.27 114.58 116.06 3hqp h GLU 378 Ca 0.10 -0.74 -0.06 0.00 -0.13 0.00 0.00 59.36 58.54 3hqp h GLU 378 Cb 0.15 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3hqp h GLU 378 CO -0.01 1.32 -0.20 0.00 -0.73 0.00 0.00 179.01 179.39 3hqp h ALA 379 N 0.42 1.43 -0.32 2.92 0.00 -1.10 -2.55 119.26 120.06 3hqp h ALA 379 Ca -0.14 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3hqp h ALA 379 Cb 1.75 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 3hqp h ALA 379 CO 0.21 0.40 0.01 0.28 0.00 0.00 0.00 179.25 180.15 3hqp h VAL 380 N 0.20 1.26 -0.48 0.00 2.07 -1.52 -2.25 116.25 115.52 3hqp h VAL 380 Ca 0.04 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.54 3hqp h VAL 380 Cb 0.47 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3hqp h VAL 380 CO 0.03 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.93 3hqp h SER 382 N 0.75 0.68 1.50 0.00 0.87 -1.41 -2.60 113.55 113.34 3hqp h SER 382 Ca 0.15 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.24 3hqp h SER 382 Cb 0.45 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3hqp h SER 382 CO 0.02 1.00 -0.03 0.28 -0.53 0.00 0.00 176.83 177.57 3hqp h SER 383 N 0.38 0.00 0.14 6.23 0.02 -1.39 -2.72 113.55 116.21 3hqp h SER 383 Ca 0.05 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.71 3hqp h SER 383 Cb 0.79 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.36 3hqp h SER 383 CO 0.06 0.03 -1.17 0.00 -1.14 0.00 0.00 176.83 174.60 3hqp h ALA 384 N 1.97 0.06 -0.26 3.77 0.00 -1.29 -2.54 119.26 120.98 3hqp h ALA 384 Ca -0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 54.91 54.07 3hqp h ALA 384 Cb 0.78 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3hqp h ALA 384 CO 0.00 0.71 -0.20 0.28 0.00 0.00 0.00 179.25 180.05 3hqp h VAL 385 N 0.30 1.25 -0.89 0.00 2.07 -1.46 -2.54 116.25 114.97 3hqp h VAL 385 Ca -0.16 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.24 3hqp h VAL 385 Cb 1.84 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.83 3hqp h VAL 385 CO 0.22 0.37 0.58 -1.13 0.02 0.00 0.00 177.57 177.63 3hqp h ASN 386 N 0.42 0.97 0.28 0.57 -0.73 -1.47 -2.58 115.58 113.05 3hqp h ASN 386 Ca 0.07 -0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.19 3hqp h ASN 386 Cb 0.58 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 3hqp h ASN 386 CO 0.04 0.68 -0.17 0.28 -0.37 0.00 0.00 177.43 177.89 3hqp h SER 387 N 1.14 0.00 0.54 1.15 0.02 -1.02 -2.75 113.55 112.62 3hqp h SER 387 Ca 0.35 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 3hqp h SER 387 Cb -0.02 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.52 3hqp h SER 387 CO -0.11 0.17 -0.26 0.58 -1.14 0.00 0.00 176.83 176.07 3hqp h VAL 388 N 0.00 0.37 -0.31 2.27 2.07 -1.29 -2.69 116.25 116.68 3hqp h VAL 388 Ca -0.00 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3hqp h VAL 388 Cb 0.35 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3hqp h VAL 388 CO 0.02 0.05 0.09 1.88 0.02 0.00 0.00 177.57 179.63 3hqp h TYR 389 N -0.96 0.44 -0.09 1.57 0.05 -1.52 0.28 116.97 116.75 3hqp h TYR 389 Ca -0.07 -0.02 -0.17 0.00 0.05 0.00 0.00 58.73 58.52 3hqp h TYR 389 Cb 0.63 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 3hqp h TYR 389 CO 0.00 0.38 -0.66 0.93 -1.05 0.00 0.00 178.16 177.76 3hqp h GLU 390 N 0.44 0.35 -0.14 4.88 5.08 -1.52 -3.29 114.58 120.38 3hqp h GLU 390 Ca 0.11 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3hqp h GLU 390 Cb 0.15 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hqp h GLU 390 CO -0.01 0.89 0.00 -2.37 -1.00 0.00 0.00 179.01 176.52 3hqp n THR 391 N -3.86 0.48 -3.63 1.13 5.66 -1.01 -5.00 114.28 108.05 3hqp n THR 391 Ca -0.03 -0.74 -0.23 0.00 -3.05 0.00 0.00 64.05 60.00 3hqp n THR 391 Cb 0.66 0.86 0.06 0.00 -1.55 0.00 0.00 70.33 70.37 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 0.42 -6.64 -2.13 1.09 5.02 0.85 -4.93 118.16 111.84 3hqp n LYS 392 Ca 0.07 0.76 -0.42 0.00 -2.02 0.00 0.00 58.31 56.70 3hqp n LYS 392 Cb 0.30 -5.69 -0.03 0.00 -0.02 0.00 0.00 35.03 29.60 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 -3.39 3.59 -0.56 7.82 0.00 -0.37 -4.89 121.76 123.95 3hqp s ALA 393 Ca 0.34 1.19 0.23 0.00 0.00 0.00 0.00 51.96 53.71 3hqp s ALA 393 Cb -0.16 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.48 3hqp s ALA 393 CO 0.76 -0.63 1.01 1.63 0.00 0.00 0.00 175.76 178.54 3hqp n LYS 394 N 2.96 0.33 -4.06 0.00 5.02 -1.22 -4.70 118.16 116.49 3hqp n LYS 394 Ca 0.08 -0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.28 3hqp n LYS 394 Cb 0.42 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 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 -3.22 0.47 -0.03 7.82 0.00 -1.26 -4.07 121.76 121.47 3hqp s ALA 395 Ca 0.03 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.05 3hqp s ALA 395 Cb 0.14 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.45 3hqp s ALA 395 CO 0.80 -0.22 -0.02 1.41 0.00 0.00 0.00 175.76 177.74 3hqp s MET 396 N -2.69 0.42 -0.14 0.00 1.75 -0.56 -2.76 119.30 115.32 3hqp s MET 396 Ca -0.03 -0.01 -0.00 0.00 -1.25 0.00 0.00 55.69 54.40 3hqp s MET 396 Cb -0.01 -0.52 0.03 0.00 2.84 0.00 0.00 34.83 37.17 3hqp s MET 396 CO -0.04 -0.07 -0.10 0.08 -0.65 0.00 0.00 175.02 174.23 3hqp s VAL 397 N 0.73 1.32 -0.04 10.11 1.01 -0.81 0.11 120.40 132.83 3hqp s VAL 397 Ca -0.08 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.44 3hqp s VAL 397 Cb -0.11 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3hqp s VAL 397 CO -0.01 0.36 -0.24 0.68 0.00 0.00 0.00 175.10 175.90 3hqp s VAL 398 N 1.58 2.23 -0.21 2.92 -7.23 -0.13 0.17 120.40 119.72 3hqp s VAL 398 Ca 0.04 -1.03 -0.15 0.00 -1.81 0.00 0.00 61.98 59.03 3hqp s VAL 398 Cb -0.13 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 3hqp s VAL 398 CO -0.09 0.58 0.38 -0.76 -0.31 0.00 0.00 175.10 174.89 3hqp s LEU 399 N -0.51 4.14 -0.22 1.32 1.43 -0.84 -1.31 118.68 122.69 3hqp s LEU 399 Ca 0.07 0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 53.59 3hqp s LEU 399 Cb -0.11 -2.47 0.11 0.00 0.03 0.00 0.00 46.19 43.75 3hqp s LEU 399 CO 0.00 -0.08 0.35 -0.55 0.23 0.00 0.00 176.35 176.31 3hqp s SER 400 N 1.11 0.32 -0.06 2.29 0.15 -1.17 -4.81 113.70 111.52 3hqp s SER 400 Ca 0.18 0.34 -0.20 0.00 0.70 0.00 0.00 55.95 56.96 3hqp s SER 400 Cb -0.15 1.01 -0.15 0.00 -1.71 0.00 0.00 66.02 65.02 3hqp s SER 400 CO 0.08 -0.29 0.81 0.78 1.20 0.00 0.00 173.24 175.82 3hqp h ASN 401 N 8.21 -0.17 -3.18 5.45 2.35 -1.97 -3.37 115.58 122.90 3hqp h ASN 401 Ca -0.18 -0.37 -0.21 0.00 -0.55 0.00 0.00 56.30 54.99 3hqp h ASN 401 Cb 1.14 0.04 0.08 0.00 0.05 0.00 0.00 38.32 39.63 3hqp h ASN 401 CO 0.23 0.41 0.17 0.35 -1.65 0.00 0.00 177.43 176.95 3hqp n THR 402 N -4.90 0.00 0.31 2.81 -2.24 -1.26 -4.39 114.28 104.61 3hqp n THR 402 Ca -0.07 -0.53 0.13 0.00 -2.27 0.00 0.00 64.05 61.30 3hqp n THR 402 Cb 0.26 -1.64 0.25 0.00 -2.10 0.00 0.00 70.33 67.11 3hqp n THR 402 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3hqp h GLY 403 N -0.73 0.00 0.55 3.38 0.00 -1.90 -3.41 103.07 100.95 3hqp h GLY 403 Ca -0.20 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.16 3hqp h GLY 403 CO 0.15 0.00 -0.18 3.21 0.00 0.00 0.00 176.54 179.72 3hqp h ARG 404 N 0.00 -0.27 -0.67 4.80 3.08 -1.94 -1.77 114.38 117.60 3hqp h ARG 404 Ca 0.00 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3hqp h ARG 404 Cb 0.91 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 3hqp h ARG 404 CO 0.00 -0.18 0.34 0.77 -1.07 0.00 0.00 179.97 179.83 3hqp h SER 405 N -0.29 0.84 -0.38 7.04 0.02 -1.89 0.24 113.55 119.14 3hqp h SER 405 Ca 0.06 -0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.79 3hqp h SER 405 Cb 0.36 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3hqp h SER 405 CO -0.18 0.70 -0.31 0.00 -1.14 0.00 0.00 176.83 175.91 3hqp h ALA 406 N 1.43 0.54 -0.43 3.77 0.00 -1.81 -2.97 119.26 119.80 3hqp h ALA 406 Ca 0.24 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3hqp h ALA 406 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hqp h ALA 406 CO -0.03 0.59 -0.22 0.00 0.00 0.00 0.00 179.25 179.58 3hqp h ARG 407 N 0.67 0.87 0.00 0.00 3.08 -0.83 -2.37 114.38 115.81 3hqp h ARG 407 Ca 0.07 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 3hqp h ARG 407 Cb 0.89 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 3hqp h ARG 407 CO 0.08 1.01 -0.16 1.25 -1.07 0.00 0.00 179.97 181.08 3hqp h LEU 408 N 0.76 0.00 0.13 3.04 5.85 -0.56 0.02 115.31 124.54 3hqp h LEU 408 Ca 0.10 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.62 3hqp h LEU 408 Cb 0.77 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.81 3hqp h LEU 408 CO 0.06 0.16 -0.94 0.58 -0.34 0.00 0.00 178.44 177.96 3hqp h VAL 409 N 0.00 1.39 0.00 1.05 2.07 -1.36 -3.31 116.25 116.10 3hqp h VAL 409 Ca -0.00 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.03 3hqp h VAL 409 Cb 0.46 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 3hqp h VAL 409 CO 0.02 0.70 0.00 0.00 0.02 0.00 0.00 177.57 178.31 3hqp h ALA 410 N 0.03 1.00 -0.08 1.67 0.00 -1.21 -1.79 119.26 118.88 3hqp h ALA 410 Ca -0.18 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3hqp h ALA 410 Cb 1.64 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 3hqp h ALA 410 CO 0.11 0.00 0.09 -0.22 0.00 0.00 0.00 179.25 179.23 3hqp h LYS 411 N 0.00 0.00 -0.09 0.00 3.64 -1.08 -2.82 116.57 116.22 3hqp h LYS 411 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hqp h LYS 411 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3hqp h LYS 411 CO 0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 3hqp n TYR 412 N -3.88 0.09 -3.30 1.91 4.01 -0.68 -4.95 117.16 110.36 3hqp n TYR 412 Ca -0.01 -0.06 -0.11 0.00 -0.16 0.00 0.00 57.90 57.56 3hqp n TYR 412 Cb 0.19 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 1.04 -1.51 -1.87 -0.72 5.12 -1.07 -4.18 116.66 113.48 3hqp n ARG 413 Ca 0.12 1.31 -0.32 0.00 -1.93 0.00 0.00 57.85 57.03 3hqp n ARG 413 Cb 0.47 -4.45 0.02 0.00 -1.16 0.00 0.00 32.46 27.34 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 -3.58 3.31 -0.06 5.56 0.04 -1.26 -4.51 135.00 134.51 3hqp s PRO 414 Ca 0.04 0.97 0.05 0.00 0.04 0.00 0.00 61.00 62.10 3hqp s PRO 414 Cb -0.01 -2.04 0.25 0.00 0.04 0.00 0.00 34.50 32.75 3hqp s PRO 414 CO 0.81 -0.80 0.95 0.27 0.04 0.00 0.00 177.00 178.27 3hqp n ASN 415 N -2.56 2.29 -4.21 6.66 6.94 -1.26 -4.85 115.26 118.27 3hqp n ASN 415 Ca 0.07 -2.24 -0.14 0.00 -0.02 0.00 0.00 54.58 52.25 3hqp n ASN 415 Cb 0.54 -0.48 -0.10 0.00 -2.36 0.00 0.00 39.78 37.37 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 0.15 2.70 -3.66 0.00 -0.02 -1.26 -4.84 135.00 128.07 3hqp n PRO 417 Ca -0.13 0.95 -0.37 0.00 -2.02 0.00 0.00 63.50 61.93 3hqp n PRO 417 Cb 0.59 -2.69 -0.11 0.00 -0.02 0.00 0.00 33.50 31.28 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 -1.04 5.16 -0.31 4.25 1.01 -0.87 -1.50 121.20 127.90 3hqp s ILE 418 Ca 0.54 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 61.23 3hqp s ILE 418 Cb -0.47 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 38.58 3hqp s ILE 418 CO 0.63 0.30 0.11 -0.69 0.00 0.00 0.00 174.94 175.28 3hqp s VAL 419 N 1.46 4.04 -0.20 2.92 1.01 0.29 -0.57 120.40 129.35 3hqp s VAL 419 Ca 0.07 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 3hqp s VAL 419 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 3hqp s VAL 419 CO 0.08 -0.01 0.07 0.00 0.00 0.00 0.00 175.10 175.23 3hqp s VAL 421 N 0.69 4.31 -0.04 0.00 1.01 -0.43 0.93 120.40 126.87 3hqp s VAL 421 Ca 0.04 -1.47 0.06 0.00 0.00 0.00 0.00 61.98 60.61 3hqp s VAL 421 Cb -0.13 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3hqp s VAL 421 CO 0.02 -0.58 -0.20 0.28 0.00 0.00 0.00 175.10 174.61 3hqp s THR 422 N 1.43 2.53 -0.36 3.92 -1.32 0.02 -3.06 115.64 118.79 3hqp s THR 422 Ca 0.04 -0.93 0.22 0.00 -1.21 0.00 0.00 61.69 59.81 3hqp s THR 422 Cb -0.24 -1.94 0.24 0.00 -1.51 0.00 0.00 72.50 69.05 3hqp s THR 422 CO 0.02 0.58 1.48 0.71 -2.21 0.00 0.00 174.62 175.20 3hqp h THR 423 N 4.44 0.14 -3.24 5.08 1.35 -1.77 -1.90 112.91 117.00 3hqp h THR 423 Ca -0.44 -1.20 -0.58 0.00 -0.55 0.00 0.00 66.41 63.63 3hqp h THR 423 Cb 1.14 1.99 -0.06 0.00 -1.73 0.00 0.00 68.15 69.48 3hqp h THR 423 CO 0.49 0.08 -0.10 -0.13 -0.25 0.00 0.00 175.52 175.60 3hqp s ARG 424 N -3.19 4.22 0.26 4.72 3.00 -1.26 -4.63 118.95 122.07 3hqp s ARG 424 Ca 0.05 0.57 0.09 0.00 0.00 0.00 0.00 55.73 56.44 3hqp s ARG 424 Cb 0.06 -3.33 0.32 0.00 0.00 0.00 0.00 34.95 32.00 3hqp s ARG 424 CO 0.70 0.40 1.59 1.25 0.00 0.00 0.00 175.30 179.25 3hqp h LEU 425 N 5.67 0.05 -0.79 2.53 5.85 -1.95 -3.13 115.31 123.53 3hqp h LEU 425 Ca -0.46 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.10 3hqp h LEU 425 Cb 1.20 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3hqp h LEU 425 CO 0.69 0.66 -0.57 -0.61 -0.34 0.00 0.00 178.44 178.27 3hqp h GLN 426 N 0.03 0.09 -0.28 1.25 4.15 -1.96 -3.09 115.11 115.29 3hqp h GLN 426 Ca -0.01 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 3hqp h GLN 426 Cb 1.12 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 3hqp h GLN 426 CO 0.08 0.64 -0.01 1.15 -1.93 0.00 0.00 178.83 178.76 3hqp h THR 427 N 0.07 1.18 -0.11 2.39 2.02 -1.84 0.81 112.91 117.42 3hqp h THR 427 Ca -0.00 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.48 3hqp h THR 427 Cb 1.03 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 3hqp h THR 427 CO 0.08 0.24 0.01 0.00 0.37 0.00 0.00 175.52 176.22 3hqp h ARG 429 N 0.06 0.37 0.00 0.00 3.08 -1.52 -3.17 114.38 113.20 3hqp h ARG 429 Ca 0.05 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 59.73 3hqp h ARG 429 Cb 0.04 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3hqp h ARG 429 CO -0.07 0.89 -0.47 1.96 -1.07 0.00 0.00 179.97 181.22 3hqp h GLN 430 N 0.27 0.00 -0.05 0.04 4.20 -0.79 -2.92 115.11 115.86 3hqp h GLN 430 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3hqp h GLN 430 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 3hqp h GLN 430 CO 0.11 0.47 0.00 1.28 -0.67 0.00 0.00 178.83 180.02 3hqp n LEU 431 N -3.91 0.36 0.00 1.46 4.77 -0.70 -3.49 117.00 115.48 3hqp n LEU 431 Ca -0.01 -0.16 0.11 0.00 -0.03 0.00 0.00 56.01 55.92 3hqp n LEU 431 Cb 0.50 -0.03 0.53 0.00 -2.33 0.00 0.00 43.42 42.09 3hqp n LEU 431 CO 0.40 0.08 0.87 0.59 -1.33 0.00 0.00 177.39 177.99 3hqp n ASN 432 N -0.47 0.00 -0.82 -1.43 3.02 -1.10 -2.40 115.26 112.06 3hqp n ASN 432 Ca 0.10 0.21 0.08 0.00 -0.03 0.00 0.00 54.58 54.95 3hqp n ASN 432 Cb 0.10 -0.39 0.17 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.39 0.66 -3.71 2.41 -5.35 -1.23 -4.76 119.36 106.00 3hqp n ILE 433 Ca 0.08 -0.83 -0.38 0.00 -0.27 0.00 0.00 62.75 61.35 3hqp n ILE 433 Cb 0.22 0.78 -0.12 0.00 -1.74 0.00 0.00 39.64 38.78 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 -1.11 4.04 0.26 7.28 2.01 -1.01 -4.64 115.64 122.47 3hqp s THR 434 Ca 0.28 -0.94 -0.31 0.00 0.31 0.00 0.00 61.69 61.03 3hqp s THR 434 Cb 0.16 -3.22 -0.13 0.00 0.01 0.00 0.00 72.50 69.31 3hqp s THR 434 CO 0.22 -0.12 1.41 1.67 -0.69 0.00 0.00 174.62 177.10 3hqp n GLN 435 N 4.87 2.10 -0.82 4.92 0.00 -1.26 -3.15 117.38 124.05 3hqp n GLN 435 Ca -0.13 0.75 0.00 0.00 -0.00 0.00 0.00 57.00 57.62 3hqp n GLN 435 Cb 0.46 -2.40 0.00 0.00 0.00 0.00 0.00 30.24 28.30 3hqp n GLN 435 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hqp n GLY 436 N 1.98 1.34 3.63 1.69 0.00 0.67 -4.84 105.19 109.65 3hqp n GLY 436 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.79 5.09 -0.27 1.61 1.01 -1.19 -2.04 120.40 120.83 3hqp s VAL 437 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 3hqp s VAL 437 Cb 0.00 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 33.04 3hqp s VAL 437 CO 0.00 0.37 -0.01 -1.61 0.00 0.00 0.00 175.10 173.86 3hqp s GLU 438 N 0.96 2.92 0.17 2.72 2.02 0.26 -4.90 118.70 122.85 3hqp s GLU 438 Ca 0.06 -0.94 -0.25 0.00 0.02 0.00 0.00 54.97 53.86 3hqp s GLU 438 Cb -0.13 -3.14 -0.08 0.00 0.10 0.00 0.00 34.13 30.88 3hqp s GLU 438 CO 0.03 -0.42 0.78 -1.12 0.02 0.00 0.00 175.26 174.55 3hqp s SER 439 N 1.39 7.40 -0.04 -0.19 0.01 -1.26 -2.19 113.70 118.81 3hqp s SER 439 Ca 0.01 1.65 0.05 0.00 1.31 0.00 0.00 55.95 58.97 3hqp s SER 439 Cb -0.17 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.55 3hqp s SER 439 CO -0.02 0.21 -0.20 -0.69 0.41 0.00 0.00 173.24 172.95 3hqp s VAL 440 N -1.13 1.63 -0.20 3.43 1.01 0.27 -4.92 120.40 120.49 3hqp s VAL 440 Ca 0.36 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 3hqp s VAL 440 Cb -0.23 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 3hqp s VAL 440 CO 0.26 0.46 0.19 0.12 0.00 0.00 0.00 175.10 176.14 3hqp s PHE 441 N -0.08 3.41 -0.21 5.22 5.36 -1.26 -0.80 117.98 129.61 3hqp s PHE 441 Ca -0.02 0.40 -0.02 0.00 -0.96 0.00 0.00 56.93 56.33 3hqp s PHE 441 Cb -0.12 -2.25 0.01 0.00 -0.34 0.00 0.00 43.02 40.32 3hqp s PHE 441 CO 0.02 0.22 -0.10 0.12 -1.46 0.00 0.00 175.22 174.03 3hqp s PHE 442 N 0.55 2.92 -0.82 10.12 5.36 -0.72 -4.94 117.98 130.46 3hqp s PHE 442 Ca 0.11 -1.27 -0.26 0.00 -0.96 0.00 0.00 56.93 54.56 3hqp s PHE 442 Cb -0.12 -2.04 0.03 0.00 -0.34 0.00 0.00 43.02 40.55 3hqp s PHE 442 CO 0.01 -0.66 1.44 0.34 -1.46 0.00 0.00 175.22 174.89 3hqp s ASP 443 N 1.39 6.09 0.49 6.13 -1.08 -1.26 -4.28 116.67 124.16 3hqp s ASP 443 Ca 0.05 -0.67 0.31 0.00 -0.52 0.00 0.00 52.55 51.72 3hqp s ASP 443 Cb -0.14 -2.56 1.14 0.00 -1.46 0.00 0.00 42.92 39.90 3hqp s ASP 443 CO -0.07 -1.86 1.89 0.00 0.52 0.00 0.00 175.17 175.65 3hqp h ALA 444 N 10.61 1.00 0.00 3.66 0.00 -1.82 -0.98 119.26 131.73 3hqp h ALA 444 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hqp h ALA 444 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hqp h ALA 444 CO 1.31 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 180.12 3hqp h ASP 445 N 0.00 0.00 0.00 0.00 3.32 -1.88 -3.28 116.42 114.58 3hqp h ASP 445 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hqp h ASP 445 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3hqp h ASP 445 CO 0.00 0.00 -0.98 2.29 -1.72 0.00 0.00 179.24 178.83 3hqp n LYS 446 N -3.06 1.27 0.00 3.56 2.85 -1.16 -4.78 118.16 116.84 3hqp n LYS 446 Ca 0.04 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.44 3hqp n LYS 446 Cb 0.49 -0.99 0.54 0.00 -0.65 0.00 0.00 35.03 34.42 3hqp n LYS 446 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3hqp n LEU 447 N -2.32 1.39 0.00 -5.58 4.77 -0.38 -5.05 117.00 109.83 3hqp n LEU 447 Ca 0.00 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3hqp n LEU 447 Cb 0.49 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3hqp n LEU 447 CO 0.00 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3hqp n GLY 448 N 1.18 -4.24 0.15 -0.72 0.00 -1.23 -4.72 105.19 95.60 3hqp n GLY 448 Ca 0.19 -2.08 0.08 0.00 0.00 0.00 0.00 46.02 44.20 3hqp n GLY 448 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hqp h HIS 449 N 0.00 0.00 -5.49 1.61 3.86 -1.95 -3.40 115.15 109.78 3hqp h HIS 449 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 3hqp h HIS 449 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3hqp h HIS 449 CO 0.00 0.20 -0.18 -3.47 0.86 0.00 0.00 177.93 175.34 3hqp n ASP 450 N -2.95 -7.55 -4.72 2.45 2.03 -1.26 -5.01 116.55 99.53 3hqp n ASP 450 Ca -0.00 -0.06 -0.38 0.00 0.52 0.00 0.00 54.79 54.88 3hqp n ASP 450 Cb 0.63 -4.98 -0.06 0.00 -0.72 0.00 0.00 41.12 35.99 3hqp n ASP 450 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3hqp s GLU 451 N -3.09 4.33 0.00 -0.67 1.03 -1.26 -3.69 118.70 115.35 3hqp s GLU 451 Ca 0.04 0.44 0.00 0.00 0.03 0.00 0.00 54.97 55.48 3hqp s GLU 451 Cb -0.01 -3.43 0.00 0.00 -0.80 0.00 0.00 34.13 29.89 3hqp s GLU 451 CO 0.77 0.17 0.00 0.41 -1.33 0.00 0.00 175.26 175.28 3hqp n GLY 452 N 3.25 0.74 2.45 -3.83 0.00 -1.26 -4.72 105.19 101.82 3hqp n GLY 452 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 3hqp n GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hqp n LYS 453 N -1.45 -2.01 0.00 1.61 4.76 -1.24 -4.91 118.16 114.92 3hqp n LYS 453 Ca 0.00 0.90 -0.13 0.00 -2.87 0.00 0.00 58.31 56.21 3hqp n LYS 453 Cb 0.00 -5.56 -0.10 0.00 -1.84 0.00 0.00 35.03 27.54 3hqp n LYS 453 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3hqp h GLU 454 N -0.08 -0.05 0.00 1.97 3.07 -1.86 -3.29 114.58 114.33 3hqp h GLU 454 Ca -0.45 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.26 3hqp h GLU 454 Cb 1.33 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.22 3hqp h GLU 454 CO 0.52 0.44 -1.09 0.45 -1.40 0.00 0.00 179.01 177.93 3hqp h HIS 455 N -0.57 0.00 -0.05 4.33 3.86 -1.94 -3.20 115.15 117.59 3hqp h HIS 455 Ca -0.01 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 3hqp h HIS 455 Cb 0.52 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 3hqp h HIS 455 CO 0.10 0.62 -0.70 0.00 0.86 0.00 0.00 177.93 178.81 3hqp h ARG 456 N 0.00 0.24 -0.19 2.45 3.08 -1.95 -2.56 114.38 115.45 3hqp h ARG 456 Ca -0.10 -0.19 -0.16 0.00 0.07 0.00 0.00 59.98 59.60 3hqp h ARG 456 Cb 1.56 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.66 3hqp h ARG 456 CO 0.06 0.84 -0.49 0.28 -1.07 0.00 0.00 179.97 179.60 3hqp h VAL 457 N 0.16 1.32 -0.01 2.04 2.07 -1.66 -2.96 116.25 117.21 3hqp h VAL 457 Ca -0.02 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 65.74 3hqp h VAL 457 Cb 1.25 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 3hqp h VAL 457 CO 0.11 0.54 -0.19 0.00 0.02 0.00 0.00 177.57 178.05 3hqp h ALA 458 N 0.58 1.66 -0.18 1.67 0.00 -1.58 -2.27 119.26 119.15 3hqp h ALA 458 Ca -0.01 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3hqp h ALA 458 Cb 1.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3hqp h ALA 458 CO 0.11 0.26 -0.44 0.00 0.00 0.00 0.00 179.25 179.17 3hqp h ALA 459 N 1.79 0.90 -0.17 0.00 0.00 -1.42 -1.45 119.26 118.91 3hqp h ALA 459 Ca 0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 3hqp h ALA 459 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hqp h ALA 459 CO 0.03 0.64 -0.55 0.78 0.00 0.00 0.00 179.25 180.14 3hqp h GLY 460 N 1.15 0.57 1.55 0.00 0.00 -1.27 -2.77 103.07 102.29 3hqp h GLY 460 Ca 0.03 -0.66 -0.16 0.00 0.00 0.00 0.00 47.33 46.54 3hqp h GLY 460 CO 0.08 0.59 -0.58 -2.08 0.00 0.00 0.00 176.54 174.55 3hqp h VAL 461 N 0.40 1.34 -0.64 4.60 2.07 -1.36 -2.67 116.25 119.98 3hqp h VAL 461 Ca 0.01 -1.86 0.03 0.00 0.82 0.00 0.00 66.70 65.69 3hqp h VAL 461 Cb 1.09 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 3hqp h VAL 461 CO 0.10 0.57 0.40 -0.08 0.02 0.00 0.00 177.57 178.58 3hqp h GLU 462 N 0.35 0.76 -0.35 1.57 4.57 -1.21 0.05 114.58 120.31 3hqp h GLU 462 Ca 0.00 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.04 3hqp h GLU 462 Cb 1.11 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 3hqp h GLU 462 CO 0.10 0.50 -0.16 0.35 -1.18 0.00 0.00 179.01 178.62 3hqp h PHE 463 N 0.78 0.71 -0.01 0.92 3.57 -1.42 -2.09 116.94 119.40 3hqp h PHE 463 Ca 0.26 -0.14 -0.16 0.00 3.53 0.00 0.00 57.97 61.47 3hqp h PHE 463 Cb 0.03 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3hqp h PHE 463 CO -0.05 0.77 -0.74 0.00 -2.23 0.00 0.00 178.31 176.07 3hqp h ALA 464 N 1.24 0.76 -0.28 2.41 0.00 -1.16 -2.70 119.26 119.54 3hqp h ALA 464 Ca 0.10 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 3hqp h ALA 464 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hqp h ALA 464 CO 0.04 0.88 -0.17 0.87 0.00 0.00 0.00 179.25 180.88 3hqp h LYS 465 N 0.04 0.60 -0.55 0.00 1.79 -0.82 0.12 116.57 117.75 3hqp h LYS 465 Ca -0.01 -0.28 -0.11 0.00 -2.18 0.00 0.00 60.65 58.07 3hqp h LYS 465 Cb 1.30 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.92 3hqp h LYS 465 CO 0.10 0.86 -0.08 0.66 -1.08 0.00 0.00 179.45 179.91 3hqp h SER 466 N 0.34 1.01 0.93 0.86 4.64 -1.40 -2.59 113.55 117.34 3hqp h SER 466 Ca 0.06 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3hqp h SER 466 Cb 0.70 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3hqp h SER 466 CO 0.05 1.10 -0.05 0.29 -0.87 0.00 0.00 176.83 177.35 3hqp n LYS 467 N -4.15 0.02 -2.57 4.77 4.76 -1.02 -4.95 118.16 115.02 3hqp n LYS 467 Ca 0.02 -0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.43 3hqp n LYS 467 Cb 0.39 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.08 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 1.49 0.72 0.13 0.72 0.00 -0.74 -4.98 105.19 102.53 3hqp n GLY 468 Ca 0.07 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.29 0.60 -3.74 1.61 0.05 -1.05 -3.47 116.97 110.68 3hqp h TYR 469 Ca -0.07 -0.44 -0.52 0.00 0.05 0.00 0.00 58.73 57.75 3hqp h TYR 469 Cb 1.04 -0.02 -0.32 0.00 1.01 0.00 0.00 36.73 38.44 3hqp h TYR 469 CO 0.06 1.58 -0.82 0.14 -1.05 0.00 0.00 178.16 178.07 3hqp s VAL 470 N -2.52 1.23 0.32 -2.88 -7.23 -1.23 -4.75 120.40 103.34 3hqp s VAL 470 Ca -0.17 -0.59 0.05 0.00 -1.81 0.00 0.00 61.98 59.46 3hqp s VAL 470 Cb 0.04 -1.08 0.05 0.00 0.56 0.00 0.00 36.38 35.95 3hqp s VAL 470 CO 0.82 0.37 0.43 0.00 -0.31 0.00 0.00 175.10 176.40 3hqp n GLN 471 N 3.36 0.80 -2.26 4.82 3.00 -1.26 -4.52 117.38 121.32 3hqp n GLN 471 Ca -0.19 -1.72 -0.43 0.00 -0.01 0.00 0.00 57.00 54.65 3hqp n GLN 471 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 30.24 30.63 3hqp n GLN 471 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3hqp s THR 472 N -1.00 3.86 0.00 5.09 2.01 -1.26 -3.09 115.64 121.25 3hqp s THR 472 Ca 0.32 0.93 0.00 0.00 0.31 0.00 0.00 61.69 63.25 3hqp s THR 472 Cb -0.03 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.51 3hqp s THR 472 CO 0.21 -0.50 0.00 0.61 -0.69 0.00 0.00 174.62 174.25 3hqp n GLY 473 N 4.78 1.28 3.03 4.40 0.00 -1.08 -5.05 105.19 112.55 3hqp n GLY 473 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 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 1.17 0.30 1.61 1.11 -1.18 -4.99 116.67 112.70 3hqp s ASP 474 Ca 0.00 -0.18 -0.28 0.00 0.18 0.00 0.00 52.55 52.27 3hqp s ASP 474 Cb 0.00 -0.18 -0.09 0.00 1.07 0.00 0.00 42.92 43.71 3hqp s ASP 474 CO 0.00 0.11 1.04 -0.31 1.18 0.00 0.00 175.17 177.18 3hqp s TYR 475 N -0.11 3.60 -0.06 4.23 2.02 -1.26 -2.59 117.35 123.18 3hqp s TYR 475 Ca 0.02 1.74 -0.01 0.00 -0.37 0.00 0.00 57.07 58.45 3hqp s TYR 475 Cb -0.05 -3.15 0.03 0.00 -0.40 0.00 0.00 41.96 38.39 3hqp s TYR 475 CO -0.00 -0.28 -0.00 0.00 -1.57 0.00 0.00 175.55 173.70 3hqp s VAL 477 N 1.74 4.55 -0.16 0.00 1.01 -1.11 -2.34 120.40 124.08 3hqp s VAL 477 Ca 0.01 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 3hqp s VAL 477 Cb -0.13 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 3hqp s VAL 477 CO -0.04 -0.96 0.06 -0.69 0.00 0.00 0.00 175.10 173.47 3hqp s VAL 478 N 3.53 4.80 -0.13 2.92 1.01 -0.23 -1.92 120.40 130.39 3hqp s VAL 478 Ca 0.27 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3hqp s VAL 478 Cb -0.14 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.13 3hqp s VAL 478 CO 0.19 0.51 -0.17 -0.63 0.00 0.00 0.00 175.10 174.99 3hqp s ILE 479 N -0.04 1.71 0.00 2.22 1.01 0.13 -1.41 121.20 124.81 3hqp s ILE 479 Ca 0.06 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.95 3hqp s ILE 479 Cb -0.12 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.80 3hqp s ILE 479 CO 0.01 0.48 0.00 0.00 0.00 0.00 0.00 174.94 175.43 3hqp n HIS 480 N 4.26 0.00 -4.54 3.97 1.44 -0.35 -1.99 115.22 118.01 3hqp n HIS 480 Ca -0.19 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.27 3hqp n HIS 480 Cb 0.51 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.52 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 2.86 0.92 1.59 0.00 -1.26 -0.22 121.76 124.65 3hqp s ALA 481 Ca 0.00 -1.70 -0.08 0.00 0.00 0.00 0.00 51.96 50.18 3hqp s ALA 481 Cb 0.00 0.51 0.13 0.00 0.00 0.00 0.00 23.12 23.76 3hqp s ALA 481 CO 0.00 -0.24 0.80 -0.40 0.00 0.00 0.00 175.76 175.92 3hqp n ASP 482 N -0.95 0.22 -1.65 0.00 5.75 -1.26 -4.83 116.55 113.83 3hqp n ASP 482 Ca -0.06 -1.39 -0.12 0.00 -0.01 0.00 0.00 54.79 53.21 3hqp n ASP 482 Cb 0.66 -0.60 0.06 0.00 -1.03 0.00 0.00 41.12 40.22 3hqp n ASP 482 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hqp n HIS 483 N -3.00 1.36 0.00 2.11 1.44 -1.26 -4.01 115.22 111.86 3hqp n HIS 483 Ca 0.11 -1.36 0.00 0.00 -2.01 0.00 0.00 57.72 54.45 3hqp n HIS 483 Cb 0.37 -0.68 0.00 0.00 0.12 0.00 0.00 29.99 29.80 3hqp n HIS 483 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 3hqp n LYS 484 N 0.02 0.00 -2.67 -1.40 4.81 -1.26 -5.07 118.16 112.59 3hqp n LYS 484 Ca 0.26 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.28 3hqp n LYS 484 Cb 0.86 -0.19 -0.02 0.00 0.02 0.00 0.00 35.03 35.70 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 -1.54 4.65 -0.05 3.15 1.01 -1.26 -5.03 120.40 121.34 3hqp s VAL 485 Ca 0.00 1.92 0.05 0.00 0.00 0.00 0.00 61.98 63.95 3hqp s VAL 485 Cb 0.00 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 3hqp s VAL 485 CO 0.00 -0.25 -0.22 -0.54 0.00 0.00 0.00 175.10 174.09 3hqp s LYS 486 N 3.29 2.17 0.00 2.72 1.02 -1.26 -4.50 119.74 123.18 3hqp s LYS 486 Ca 0.44 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.65 3hqp s LYS 486 Cb -0.14 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 3hqp s LYS 486 CO 0.09 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.26 3hqp n GLY 487 N 2.98 0.76 3.45 -3.33 0.00 -1.26 -5.09 105.19 102.71 3hqp n GLY 487 Ca -0.17 0.00 -0.10 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 -0.79 -0.13 0.13 1.61 -0.85 -1.26 -5.14 117.35 110.91 3hqp s TYR 488 Ca 0.00 -0.20 -0.27 0.00 -0.52 0.00 0.00 57.07 56.09 3hqp s TYR 488 Cb 0.00 0.34 -0.07 0.00 0.38 0.00 0.00 41.96 42.61 3hqp s TYR 488 CO 0.00 -0.85 0.83 0.00 -1.52 0.00 0.00 175.55 174.01 3hqp s ALA 489 N -3.86 3.37 0.00 9.51 0.00 -1.26 -4.64 121.76 124.88 3hqp s ALA 489 Ca 0.08 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.45 3hqp s ALA 489 Cb -0.00 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.06 3hqp s ALA 489 CO -0.05 0.15 0.00 0.27 0.00 0.00 0.00 175.76 176.12 3hqp n ASN 490 N 2.19 0.00 -4.05 0.00 0.23 -0.47 -4.33 115.26 108.83 3hqp n ASN 490 Ca -0.03 -0.54 -0.31 0.00 -0.53 0.00 0.00 54.58 53.17 3hqp n ASN 490 Cb 0.49 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 38.03 3hqp n ASN 490 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 3hqp s GLN 491 N 0.00 2.46 0.16 -3.83 0.74 0.69 -4.97 119.66 114.90 3hqp s GLN 491 Ca 0.00 -0.62 0.09 0.00 0.05 0.00 0.00 55.36 54.88 3hqp s GLN 491 Cb 0.00 -2.19 -0.04 0.00 1.10 0.00 0.00 33.01 31.88 3hqp s GLN 491 CO 0.00 -0.21 -0.14 0.95 -0.55 0.00 0.00 175.29 175.34 3hqp s THR 492 N 1.39 2.99 -0.19 -0.34 -4.23 -1.26 -1.21 115.64 112.79 3hqp s THR 492 Ca 0.04 -1.64 -0.14 0.00 -1.18 0.00 0.00 61.69 58.76 3hqp s THR 492 Cb -0.13 -2.44 0.05 0.00 1.34 0.00 0.00 72.50 71.33 3hqp s THR 492 CO -0.10 -0.04 0.47 0.00 -0.54 0.00 0.00 174.62 174.41 3hqp s ARG 493 N -2.58 0.51 -0.37 3.99 1.70 -0.50 -5.00 118.95 116.70 3hqp s ARG 493 Ca 0.22 0.76 -0.14 0.00 -0.47 0.00 0.00 55.73 56.10 3hqp s ARG 493 Cb -0.09 0.15 -0.00 0.00 -0.57 0.00 0.00 34.95 34.44 3hqp s ARG 493 CO 0.13 -0.11 0.28 0.42 -1.08 0.00 0.00 175.30 174.94 3hqp s ILE 494 N 0.80 5.26 0.02 4.99 1.01 -1.26 -1.06 121.20 130.96 3hqp s ILE 494 Ca -0.04 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.29 3hqp s ILE 494 Cb -0.05 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 3hqp s ILE 494 CO -0.06 -0.15 -0.21 -1.48 0.00 0.00 0.00 174.94 173.04 3hqp s LEU 495 N 1.73 2.11 -0.46 2.97 0.05 -0.99 -4.93 118.68 119.16 3hqp s LEU 495 Ca 0.06 -0.46 -0.23 0.00 0.05 0.00 0.00 54.13 53.55 3hqp s LEU 495 Cb -0.18 -1.04 0.03 0.00 -2.05 0.00 0.00 46.19 42.95 3hqp s LEU 495 CO 0.10 0.21 0.79 -0.22 -0.55 0.00 0.00 176.35 176.68 3hqp s LEU 496 N -0.86 4.29 0.51 1.48 2.96 -1.26 -1.75 118.68 124.05 3hqp s LEU 496 Ca 0.08 -0.19 -0.20 0.00 -0.22 0.00 0.00 54.13 53.60 3hqp s LEU 496 Cb -0.09 -2.91 -0.07 0.00 0.50 0.00 0.00 46.19 43.63 3hqp s LEU 496 CO 0.01 -0.94 1.10 0.68 -1.32 0.00 0.00 176.35 175.88 3hqp s VAL 497 N 3.31 3.36 0.00 1.68 -7.23 -1.07 -4.89 120.40 115.56 3hqp s VAL 497 Ca 0.29 0.88 0.00 0.00 -1.81 0.00 0.00 61.98 61.33 3hqp s VAL 497 Cb -0.13 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.45 3hqp s VAL 497 CO 0.22 -0.16 0.35 -0.62 -0.31 0.00 0.00 175.10 174.58