#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 0.66 -0.20 4.33 5.75 -2.05 -1.89 115.11 121.71 3hqp h GLN 2 Ca 0.00 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 3hqp h GLN 2 Cb 0.00 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 3hqp h GLN 2 CO 0.00 0.44 -0.04 1.25 -2.65 0.00 0.00 178.83 177.83 3hqp h LEU 3 N 0.68 0.39 -0.84 -2.39 6.46 -2.07 -2.24 115.31 115.29 3hqp h LEU 3 Ca 0.37 -0.35 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 3hqp h LEU 3 Cb 0.51 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.29 3hqp h LEU 3 CO -0.14 0.65 0.55 0.00 -0.62 0.00 0.00 178.44 178.88 3hqp h ALA 4 N 0.75 1.07 -0.63 1.25 0.00 -1.94 -2.99 119.26 116.76 3hqp h ALA 4 Ca 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hqp h ALA 4 Cb 0.48 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hqp h ALA 4 CO 0.02 0.49 0.28 1.25 0.00 0.00 0.00 179.25 181.29 3hqp h HIS 5 N 1.14 0.93 -0.45 0.00 -0.00 -1.21 -2.59 115.15 112.98 3hqp h HIS 5 Ca 0.31 -0.06 0.13 0.00 -0.00 0.00 0.00 60.37 60.75 3hqp h HIS 5 Cb -0.11 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.00 3hqp h HIS 5 CO -0.01 0.72 0.37 -0.91 -0.00 0.00 0.00 177.93 178.09 3hqp h ASN 6 N 0.88 0.00 1.67 3.26 2.35 -1.25 -0.95 115.58 121.53 3hqp h ASN 6 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3hqp h ASN 6 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3hqp h ASN 6 CO -0.02 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 175.69 3hqp h LEU 7 N 0.00 0.00 0.00 1.61 3.38 -1.49 -3.12 115.31 115.69 3hqp h LEU 7 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3hqp h LEU 7 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3hqp h LEU 7 CO -0.00 0.00 -0.60 0.35 0.09 0.00 0.00 178.44 178.27 3hqp n THR 8 N -2.82 0.06 -1.38 0.22 -2.24 -0.37 -4.97 114.28 102.78 3hqp n THR 8 Ca 0.04 -0.05 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 3hqp n THR 8 Cb 0.46 0.26 0.08 0.00 -2.10 0.00 0.00 70.33 69.03 3hqp n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hqp s LEU 9 N -3.23 3.16 -0.02 3.22 1.43 -1.18 -5.07 118.68 116.99 3hqp s LEU 9 Ca 0.10 1.96 -0.04 0.00 -1.03 0.00 0.00 54.13 55.12 3hqp s LEU 9 Cb 0.17 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.85 3hqp s LEU 9 CO 0.72 -2.03 0.10 -0.55 0.23 0.00 0.00 176.35 174.82 3hqp s SER 10 N -2.93 -0.04 0.05 2.29 0.15 -1.26 -5.05 113.70 106.90 3hqp s SER 10 Ca 0.65 0.05 0.20 0.00 0.70 0.00 0.00 55.95 57.55 3hqp s SER 10 Cb -0.20 0.20 -0.17 0.00 -1.71 0.00 0.00 66.02 64.14 3hqp s SER 10 CO 0.50 -0.13 0.70 2.30 1.20 0.00 0.00 173.24 177.81 3hqp n ILE 11 N 2.55 0.68 1.39 6.45 -5.35 -1.26 -4.23 119.36 119.59 3hqp n ILE 11 Ca -0.16 -0.61 0.14 0.00 -0.27 0.00 0.00 62.75 61.86 3hqp n ILE 11 Cb 0.58 -0.36 0.66 0.00 -1.74 0.00 0.00 39.64 38.78 3hqp n ILE 11 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3hqp n PHE 12 N -2.62 0.00 -2.61 4.28 3.72 -1.26 -4.90 117.46 114.07 3hqp n PHE 12 Ca -0.08 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.96 3hqp n PHE 12 Cb 0.71 -0.24 -0.05 0.00 -0.94 0.00 0.00 39.48 38.96 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 -2.55 6.84 0.48 4.37 1.01 -1.26 -5.03 116.67 120.54 3hqp s ASP 13 Ca 0.28 1.96 -0.24 0.00 0.71 0.00 0.00 52.55 55.26 3hqp s ASP 13 Cb 0.20 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.48 3hqp s ASP 13 CO 0.48 -0.43 1.36 -2.84 0.21 0.00 0.00 175.17 173.94 3hqp s PRO 14 N -2.56 3.53 0.70 8.23 0.02 -1.26 -5.04 135.00 138.62 3hqp s PRO 14 Ca 0.58 2.24 -0.08 0.00 0.02 0.00 0.00 61.00 63.76 3hqp s PRO 14 Cb -0.19 -2.50 0.05 0.00 0.02 0.00 0.00 34.50 31.88 3hqp s PRO 14 CO 0.25 -0.88 1.02 0.14 -0.33 0.00 0.00 177.00 177.20 3hqp s VAL 15 N -1.28 2.63 0.76 3.83 -7.23 -1.26 -5.06 120.40 112.78 3hqp s VAL 15 Ca 0.65 -0.11 -0.13 0.00 -1.81 0.00 0.00 61.98 60.58 3hqp s VAL 15 Cb -0.40 -3.14 0.06 0.00 0.56 0.00 0.00 36.38 33.46 3hqp s VAL 15 CO 0.50 -0.15 1.14 0.00 -0.31 0.00 0.00 175.10 176.28 3hqp s ALA 16 N -3.25 2.10 -2.08 1.32 0.00 -1.26 -4.93 121.76 113.66 3hqp s ALA 16 Ca 0.59 0.59 0.23 0.00 0.00 0.00 0.00 51.96 53.37 3hqp s ALA 16 Cb -0.11 -3.38 1.23 0.00 0.00 0.00 0.00 23.12 20.86 3hqp s ALA 16 CO 0.46 -1.88 1.81 0.27 0.00 0.00 0.00 175.76 176.41 3hqp n ASN 17 N -3.14 0.36 -3.87 0.00 2.04 -1.26 -4.81 115.26 104.57 3hqp n ASN 17 Ca 0.11 -1.37 -0.11 0.00 -0.44 0.00 0.00 54.58 52.76 3hqp n ASN 17 Cb 0.52 -0.02 -0.12 0.00 -2.53 0.00 0.00 39.78 37.63 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 -1.97 0.00 -0.32 -2.53 -0.85 -1.26 -5.06 117.35 105.36 3hqp s TYR 18 Ca 0.34 0.01 -0.13 0.00 -0.52 0.00 0.00 57.07 56.77 3hqp s TYR 18 Cb 0.16 -0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.45 3hqp s TYR 18 CO 0.27 -0.10 0.27 0.50 -1.52 0.00 0.00 175.55 174.96 3hqp s ARG 19 N -0.43 3.68 0.04 -3.49 3.52 -1.26 -4.98 118.95 116.03 3hqp s ARG 19 Ca -0.05 -0.45 -0.18 0.00 -0.13 0.00 0.00 55.73 54.93 3hqp s ARG 19 Cb -0.03 -3.75 -0.20 0.00 -1.56 0.00 0.00 34.95 29.40 3hqp s ARG 19 CO 0.00 -0.38 1.19 0.00 -0.81 0.00 0.00 175.30 175.30 3hqp h ALA 20 N 8.42 0.16 -2.42 6.12 0.00 -1.95 -3.43 119.26 126.16 3hqp h ALA 20 Ca -0.32 -0.55 -0.48 0.00 0.00 0.00 0.00 54.91 53.56 3hqp h ALA 20 Cb 1.16 0.01 0.05 0.00 0.00 0.00 0.00 17.79 19.01 3hqp h ALA 20 CO 0.62 0.41 0.40 0.00 0.00 0.00 0.00 179.25 180.69 3hqp s ALA 21 N -3.50 2.78 -0.03 0.00 0.00 -1.26 -0.08 121.76 119.66 3hqp s ALA 21 Ca -0.12 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.50 3hqp s ALA 21 Cb 0.05 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3hqp s ALA 21 CO 0.84 -0.57 -0.09 1.03 0.00 0.00 0.00 175.76 176.96 3hqp s ARG 22 N -3.42 2.58 -0.21 0.00 1.81 -0.72 -4.92 118.95 114.07 3hqp s ARG 22 Ca 0.68 -0.67 -0.05 0.00 -1.72 0.00 0.00 55.73 53.97 3hqp s ARG 22 Cb -0.19 -2.48 -0.02 0.00 -0.45 0.00 0.00 34.95 31.81 3hqp s ARG 22 CO 0.26 0.63 0.01 0.42 -0.68 0.00 0.00 175.30 175.94 3hqp s ILE 23 N -0.85 3.98 -0.21 1.52 1.01 -1.26 -1.76 121.20 123.64 3hqp s ILE 23 Ca 0.14 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.40 3hqp s ILE 23 Cb -0.11 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 3hqp s ILE 23 CO 0.03 0.41 0.11 -0.63 0.00 0.00 0.00 174.94 174.86 3hqp s ILE 24 N 1.15 5.08 -0.16 2.92 1.01 -0.76 -1.25 121.20 129.20 3hqp s ILE 24 Ca 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 60.65 60.75 3hqp s ILE 24 Cb -0.14 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.00 3hqp s ILE 24 CO 0.02 0.42 -0.14 0.00 0.00 0.00 0.00 174.94 175.24 3hqp s THR 26 N 0.79 4.43 -0.26 0.00 -4.23 -0.76 -0.65 115.64 114.97 3hqp s THR 26 Ca -0.05 2.07 -0.10 0.00 -1.18 0.00 0.00 61.69 62.43 3hqp s THR 26 Cb -0.15 -4.32 -0.05 0.00 1.34 0.00 0.00 72.50 69.32 3hqp s THR 26 CO 0.01 0.35 0.16 -0.63 -0.54 0.00 0.00 174.62 173.96 3hqp s ILE 27 N -0.19 5.15 0.00 2.99 -1.09 0.55 -2.54 121.20 126.08 3hqp s ILE 27 Ca 0.46 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 3hqp s ILE 27 Cb -0.24 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 3hqp s ILE 27 CO 0.30 0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.93 3hqp n GLY 28 N 4.70 5.86 0.48 6.18 0.00 -1.23 -4.75 105.19 116.43 3hqp n GLY 28 Ca -0.15 -1.57 0.30 0.00 0.00 0.00 0.00 46.02 44.60 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 0.01 0.00 1.61 0.11 -1.80 -1.98 132.00 129.95 3hqp h PRO 29 Ca 0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3hqp h PRO 29 Cb 0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3hqp h PRO 29 CO 0.00 0.00 -0.02 0.77 -0.21 0.00 0.00 178.00 178.54 3hqp h SER 30 N 0.01 0.00 0.00 -2.05 0.02 -1.46 -3.39 113.55 106.68 3hqp h SER 30 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 3hqp h SER 30 Cb 1.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.33 3hqp h SER 30 CO -0.01 0.02 0.00 0.35 -1.14 0.00 0.00 176.83 176.05 3hqp n THR 31 N -3.11 0.00 0.11 -2.27 -2.24 -0.78 -4.86 114.28 101.13 3hqp n THR 31 Ca 0.03 -0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.58 3hqp n THR 31 Cb 0.51 1.47 0.27 0.00 -2.10 0.00 0.00 70.33 70.47 3hqp n THR 31 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3hqp h GLN 32 N 0.00 0.22 -6.95 -0.78 4.15 -1.65 -3.35 115.11 106.74 3hqp h GLN 32 Ca 0.00 -0.09 -0.56 0.00 0.77 0.00 0.00 58.65 58.77 3hqp h GLN 32 Cb 0.23 -0.01 0.16 0.00 0.21 0.00 0.00 27.48 28.07 3hqp h GLN 32 CO 0.00 0.55 0.32 -1.13 -1.93 0.00 0.00 178.83 176.64 3hqp n SER 33 N -4.08 1.47 0.23 -0.69 3.41 -1.26 -4.82 113.62 107.88 3hqp n SER 33 Ca -0.01 0.84 0.07 0.00 -0.26 0.00 0.00 58.87 59.50 3hqp n SER 33 Cb 0.43 -1.47 0.54 0.00 -0.26 0.00 0.00 64.21 63.45 3hqp n SER 33 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3hqp h VAL 34 N 0.63 1.01 0.06 -3.33 3.04 -1.88 -2.79 116.25 112.98 3hqp h VAL 34 Ca -0.50 -0.70 -0.25 0.00 -1.01 0.00 0.00 66.70 64.24 3hqp h VAL 34 Cb 1.35 1.39 -0.02 0.00 -2.01 0.00 0.00 31.29 32.00 3hqp h VAL 34 CO 0.52 0.19 -1.23 -0.08 -1.01 0.00 0.00 177.57 175.97 3hqp h GLU 35 N 0.00 0.13 -0.06 4.17 4.57 -1.93 -3.07 114.58 118.39 3hqp h GLU 35 Ca -0.00 -0.22 -0.13 0.00 -1.18 0.00 0.00 59.36 57.83 3hqp h GLU 35 Cb 0.37 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 3hqp h GLU 35 CO 0.03 1.05 -0.53 0.00 -1.18 0.00 0.00 179.01 178.37 3hqp h ALA 36 N 0.78 1.00 -0.31 2.92 0.00 -1.79 -2.64 119.26 119.22 3hqp h ALA 36 Ca -0.11 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.14 3hqp h ALA 36 Cb 1.90 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 3hqp h ALA 36 CO 0.15 0.68 -0.44 -0.07 0.00 0.00 0.00 179.25 179.58 3hqp h LEU 37 N 0.12 0.91 -1.02 0.00 3.38 -1.57 -0.88 115.31 116.26 3hqp h LEU 37 Ca 0.00 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.49 3hqp h LEU 37 Cb 0.99 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 3hqp h LEU 37 CO 0.08 1.24 0.66 0.11 0.09 0.00 0.00 178.44 180.62 3hqp h LYS 38 N 0.61 1.28 -0.59 1.13 1.57 -1.45 0.25 116.57 119.36 3hqp h LYS 38 Ca 0.03 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3hqp h LYS 38 Cb 1.04 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 3hqp h LYS 38 CO 0.10 0.84 0.10 0.78 -0.57 0.00 0.00 179.45 180.70 3hqp h GLY 39 N 1.31 1.06 0.95 3.86 0.00 -1.40 -2.56 103.07 106.30 3hqp h GLY 39 Ca 0.38 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 3hqp h GLY 39 CO -0.10 0.66 0.17 1.41 0.00 0.00 0.00 176.54 178.68 3hqp h LEU 40 N 0.89 0.60 0.18 3.11 4.07 -0.15 -0.47 115.31 123.53 3hqp h LEU 40 Ca 0.18 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3hqp h LEU 40 Cb 0.42 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.01 3hqp h LEU 40 CO 0.01 0.60 -0.09 0.40 -1.08 0.00 0.00 178.44 178.29 3hqp h ILE 41 N 0.55 0.82 0.00 1.22 2.04 -0.56 -0.10 117.51 121.48 3hqp h ILE 41 Ca 0.14 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 3hqp h ILE 41 Cb 0.19 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3hqp h ILE 41 CO -0.01 0.00 -0.09 1.56 0.00 0.00 0.00 178.15 179.61 3hqp h GLN 42 N -0.24 0.00 -0.05 2.37 4.20 -1.41 -2.10 115.11 117.88 3hqp h GLN 42 Ca -0.02 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.45 3hqp h GLN 42 Cb 0.18 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.98 3hqp h GLN 42 CO 0.04 0.09 -0.91 0.77 -0.67 0.00 0.00 178.83 178.15 3hqp h SER 43 N 0.00 0.79 0.00 1.46 0.02 -0.67 -3.48 113.55 111.67 3hqp h SER 43 Ca -0.00 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3hqp h SER 43 Cb 0.30 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3hqp h SER 43 CO 0.01 1.38 0.00 0.61 -1.14 0.00 0.00 176.83 177.69 3hqp n GLY 44 N 0.88 -0.31 3.75 -3.77 0.00 -0.37 -4.18 105.19 101.18 3hqp n GLY 44 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 4.38 -0.03 1.61 0.00 -0.19 -4.27 119.30 120.79 3hqp s MET 45 Ca 0.00 2.10 0.03 0.00 0.00 0.00 0.00 55.69 57.83 3hqp s MET 45 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 34.83 31.63 3hqp s MET 45 CO 0.00 -0.23 0.01 0.43 0.00 0.00 0.00 175.02 175.23 3hqp n SER 46 N 2.12 4.12 -3.99 1.11 7.64 -0.38 -4.67 113.62 119.57 3hqp n SER 46 Ca 0.04 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.77 3hqp n SER 46 Cb 0.42 0.60 -0.14 0.00 -1.01 0.00 0.00 64.21 64.09 3hqp n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hqp s VAL 47 N -2.09 0.47 -0.19 0.44 1.01 -1.11 -2.28 120.40 116.66 3hqp s VAL 47 Ca -0.02 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 3hqp s VAL 47 Cb 0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3hqp s VAL 47 CO 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 175.10 175.23 3hqp s ALA 48 N -0.44 3.01 -0.10 5.51 0.00 -0.63 -1.15 121.76 127.95 3hqp s ALA 48 Ca -0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 3hqp s ALA 48 Cb -0.04 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 3hqp s ALA 48 CO -0.00 -0.04 0.05 0.50 0.00 0.00 0.00 175.76 176.26 3hqp s ARG 49 N 0.82 3.18 -0.13 0.00 3.52 0.18 -1.10 118.95 125.41 3hqp s ARG 49 Ca -0.00 -0.32 0.01 0.00 -0.13 0.00 0.00 55.73 55.29 3hqp s ARG 49 Cb -0.14 -2.94 0.02 0.00 -1.56 0.00 0.00 34.95 30.33 3hqp s ARG 49 CO 0.02 0.70 -0.15 -1.64 -0.81 0.00 0.00 175.30 173.42 3hqp s MET 50 N -0.85 2.30 -0.42 5.12 -1.94 -1.05 -0.33 119.30 122.13 3hqp s MET 50 Ca 0.13 -0.58 -0.18 0.00 -1.71 0.00 0.00 55.69 53.36 3hqp s MET 50 Cb -0.12 -2.01 0.02 0.00 2.01 0.00 0.00 34.83 34.73 3hqp s MET 50 CO 0.03 -0.13 0.47 1.21 -0.01 0.00 0.00 175.02 176.59 3hqp s ASN 51 N 1.17 6.22 0.00 3.03 3.84 -1.26 -1.14 114.94 126.80 3hqp s ASN 51 Ca -0.02 -0.57 0.00 0.00 0.21 0.00 0.00 52.86 52.48 3hqp s ASN 51 Cb -0.14 -2.24 0.00 0.00 -0.55 0.00 0.00 41.25 38.32 3hqp s ASN 51 CO -0.05 -0.60 0.61 0.49 -2.79 0.00 0.00 177.10 174.77 3hqp n PHE 52 N 5.70 0.00 0.12 0.43 3.01 -0.30 -2.29 117.46 124.13 3hqp n PHE 52 Ca -0.06 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.44 3hqp n PHE 52 Cb 0.48 -0.06 0.01 0.00 -0.01 0.00 0.00 39.48 39.90 3hqp n PHE 52 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3hqp h SER 53 N 0.06 0.00 -3.34 4.37 0.02 -1.82 -3.39 113.55 109.44 3hqp h SER 53 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 3hqp h SER 53 Cb 0.30 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.51 3hqp h SER 53 CO 0.00 0.38 -0.87 -1.00 -1.14 0.00 0.00 176.83 174.19 3hqp s HIS 54 N -3.05 2.46 0.00 3.45 3.76 -0.97 -5.04 115.29 115.90 3hqp s HIS 54 Ca 0.02 -1.01 0.00 0.00 -0.15 0.00 0.00 55.06 53.92 3hqp s HIS 54 Cb 0.08 -1.65 0.00 0.00 1.11 0.00 0.00 32.58 32.11 3hqp s HIS 54 CO 0.76 -0.41 0.00 0.41 -0.85 0.00 0.00 174.74 174.65 3hqp n GLY 55 N 3.56 -0.25 0.00 -2.22 0.00 -1.26 -4.89 105.19 100.13 3hqp n GLY 55 Ca -0.19 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3hqp n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hqp n SER 56 N -1.01 0.00 0.13 1.61 3.41 -1.26 -5.01 113.62 111.48 3hqp n SER 56 Ca 0.00 -0.17 0.02 0.00 -0.26 0.00 0.00 58.87 58.46 3hqp n SER 56 Cb 0.00 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.34 3hqp n SER 56 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3hqp h HIS 57 N 0.17 0.23 -0.31 7.33 -0.00 -1.98 -2.84 115.15 117.75 3hqp h HIS 57 Ca 0.00 -0.03 -0.17 0.00 -0.00 0.00 0.00 60.37 60.18 3hqp h HIS 57 Cb 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 27.34 3hqp h HIS 57 CO 0.00 0.37 -0.46 1.49 -0.00 0.00 0.00 177.93 179.33 3hqp h GLU 58 N 0.20 0.86 -0.27 2.45 4.81 -1.99 -1.61 114.58 119.04 3hqp h GLU 58 Ca 0.04 -0.51 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 3hqp h GLU 58 Cb 0.40 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3hqp h GLU 58 CO 0.02 1.15 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.49 3hqp h TYR 59 N 0.65 0.57 0.00 0.92 3.20 -1.95 -3.00 116.97 117.35 3hqp h TYR 59 Ca 0.03 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.75 3hqp h TYR 59 Cb 1.06 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.18 3hqp h TYR 59 CO 0.07 0.70 -0.16 0.45 -1.64 0.00 0.00 178.16 177.58 3hqp h HIS 60 N 0.27 0.00 -0.63 -3.82 3.86 -1.51 -2.90 115.15 110.43 3hqp h HIS 60 Ca 0.07 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 3hqp h HIS 60 Cb 0.50 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 3hqp h HIS 60 CO 0.05 0.16 0.27 0.37 0.86 0.00 0.00 177.93 179.63 3hqp h GLN 61 N 0.00 0.94 -0.17 2.45 5.75 -1.14 -2.70 115.11 120.23 3hqp h GLN 61 Ca -0.00 -0.16 -0.06 0.00 -0.15 0.00 0.00 58.65 58.28 3hqp h GLN 61 Cb 0.48 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 3hqp h GLN 61 CO 0.02 0.78 -0.15 1.15 -2.65 0.00 0.00 178.83 177.98 3hqp h THR 62 N 0.88 1.20 0.70 2.39 2.02 -1.52 -1.00 112.91 117.58 3hqp h THR 62 Ca 0.21 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 3hqp h THR 62 Cb 0.18 1.24 0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3hqp h THR 62 CO -0.02 0.28 -0.34 0.74 0.37 0.00 0.00 175.52 176.55 3hqp h THR 63 N 0.27 0.30 -0.83 3.16 2.02 -1.55 -0.51 112.91 115.77 3hqp h THR 63 Ca 0.05 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.39 3hqp h THR 63 Cb 0.44 0.30 -0.10 0.00 -1.74 0.00 0.00 68.15 67.05 3hqp h THR 63 CO 0.03 0.00 0.38 0.40 0.37 0.00 0.00 175.52 176.70 3hqp h ILE 64 N -0.95 0.65 0.05 3.11 2.04 -1.14 -1.09 117.51 120.19 3hqp h ILE 64 Ca -0.09 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3hqp h ILE 64 Cb 0.73 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3hqp h ILE 64 CO 0.15 0.09 -0.02 0.78 0.00 0.00 0.00 178.15 179.15 3hqp h ASN 65 N 0.51 -0.06 0.17 1.72 2.35 -1.04 -3.10 115.58 116.13 3hqp h ASN 65 Ca 0.47 -0.27 -0.13 0.00 -0.55 0.00 0.00 56.30 55.81 3hqp h ASN 65 Cb 0.73 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 3hqp h ASN 65 CO -0.41 0.24 -0.48 0.78 -1.65 0.00 0.00 177.43 175.91 3hqp h ASN 66 N -0.36 0.40 -0.18 5.81 4.21 -0.74 -2.61 115.58 122.10 3hqp h ASN 66 Ca -0.01 -0.19 -0.00 0.00 1.21 0.00 0.00 56.30 57.31 3hqp h ASN 66 Cb 0.32 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 3hqp h ASN 66 CO 0.01 0.82 0.11 0.58 -1.29 0.00 0.00 177.43 177.67 3hqp h VAL 67 N 0.29 1.07 -0.31 2.81 2.07 -1.29 0.30 116.25 121.19 3hqp h VAL 67 Ca 0.02 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 3hqp h VAL 67 Cb 0.96 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3hqp h VAL 67 CO 0.08 0.06 -0.10 0.03 0.02 0.00 0.00 177.57 177.67 3hqp h ARG 68 N 0.23 0.52 -0.15 1.57 3.08 -1.48 -0.16 114.38 117.98 3hqp h ARG 68 Ca 0.07 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 3hqp h ARG 68 Cb 0.01 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3hqp h ARG 68 CO -0.01 0.63 -0.11 0.37 -1.07 0.00 0.00 179.97 179.77 3hqp h GLN 69 N 0.49 0.35 -0.56 0.04 4.15 -1.29 -2.48 115.11 115.80 3hqp h GLN 69 Ca 0.09 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.28 3hqp h GLN 69 Cb 0.47 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 3hqp h GLN 69 CO 0.03 0.70 0.10 0.00 -1.93 0.00 0.00 178.83 177.72 3hqp h ALA 70 N 0.64 0.74 -0.00 3.38 0.00 -0.70 -2.63 119.26 120.69 3hqp h ALA 70 Ca 0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3hqp h ALA 70 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hqp h ALA 70 CO 0.03 0.48 -0.34 0.00 0.00 0.00 0.00 179.25 179.42 3hqp h ALA 71 N 1.00 1.44 -0.35 0.00 0.00 -1.11 -3.13 119.26 117.11 3hqp h ALA 71 Ca 0.17 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 3hqp h ALA 71 Cb 0.40 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3hqp h ALA 71 CO 0.01 0.43 -0.45 0.00 0.00 0.00 0.00 179.25 179.24 3hqp h ALA 72 N 1.66 0.54 -0.05 0.00 0.00 -1.13 -1.46 119.26 118.82 3hqp h ALA 72 Ca -0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 3hqp h ALA 72 Cb 0.60 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hqp h ALA 72 CO 0.04 0.68 -0.51 0.93 0.00 0.00 0.00 179.25 180.39 3hqp h GLU 73 N 0.72 0.15 -0.02 0.00 5.08 -1.43 -3.10 114.58 115.99 3hqp h GLU 73 Ca 0.04 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hqp h GLU 73 Cb 1.05 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3hqp h GLU 73 CO 0.11 0.62 -0.11 1.28 -1.00 0.00 0.00 179.01 179.91 3hqp n LEU 74 N -3.94 1.65 -3.32 1.33 4.77 -1.19 -4.96 117.00 111.34 3hqp n LEU 74 Ca -0.02 -0.54 -0.17 0.00 -0.03 0.00 0.00 56.01 55.25 3hqp n LEU 74 Cb 0.54 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.68 3hqp n LEU 74 CO 0.42 0.28 0.13 0.61 -1.33 0.00 0.00 177.39 177.51 3hqp n GLY 75 N 1.27 -0.35 3.22 -0.72 0.00 -1.06 -5.04 105.19 102.52 3hqp n GLY 75 Ca 0.15 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 3hqp n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqp s VAL 76 N -3.33 0.75 -0.19 1.61 -7.23 -0.58 -5.06 120.40 106.37 3hqp s VAL 76 Ca 0.11 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.27 3hqp s VAL 76 Cb -0.05 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 3hqp s VAL 76 CO 0.69 -0.62 -0.06 0.20 -0.31 0.00 0.00 175.10 175.00 3hqp s ASN 77 N -3.14 4.28 -0.07 4.85 0.01 -1.26 -4.41 114.94 115.20 3hqp s ASN 77 Ca 0.20 -0.35 0.04 0.00 -0.71 0.00 0.00 52.86 52.04 3hqp s ASN 77 Cb 0.05 -1.71 -0.00 0.00 0.41 0.00 0.00 41.25 40.00 3hqp s ASN 77 CO 0.01 0.04 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.81 3hqp s ILE 78 N 1.13 1.72 0.51 0.60 -1.09 -1.26 -4.74 121.20 118.07 3hqp s ILE 78 Ca 0.01 -0.85 -0.19 0.00 -2.23 0.00 0.00 60.65 57.39 3hqp s ILE 78 Cb -0.15 -1.48 -0.07 0.00 -1.58 0.00 0.00 42.46 39.18 3hqp s ILE 78 CO -0.01 0.48 1.05 0.00 -1.23 0.00 0.00 174.94 175.24 3hqp s ALA 79 N 0.21 2.83 -0.07 9.38 0.00 -0.97 -4.91 121.76 128.23 3hqp s ALA 79 Ca -0.11 0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.47 3hqp s ALA 79 Cb -0.15 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.72 3hqp s ALA 79 CO 0.05 -0.46 -0.16 0.42 0.00 0.00 0.00 175.76 175.61 3hqp s ILE 80 N -2.05 1.43 0.05 0.00 1.01 -1.26 -1.61 121.20 118.77 3hqp s ILE 80 Ca 0.67 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.75 3hqp s ILE 80 Cb -0.17 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 3hqp s ILE 80 CO 0.24 0.42 -0.24 0.00 0.00 0.00 0.00 174.94 175.36 3hqp s ALA 81 N 0.50 2.05 -0.35 9.38 0.00 -0.26 -1.55 121.76 131.53 3hqp s ALA 81 Ca -0.15 -1.21 -0.04 0.00 0.00 0.00 0.00 51.96 50.57 3hqp s ALA 81 Cb -0.16 -0.41 0.06 0.00 0.00 0.00 0.00 23.12 22.62 3hqp s ALA 81 CO 0.05 0.47 0.11 -1.17 0.00 0.00 0.00 175.76 175.22 3hqp s LEU 82 N -1.32 4.46 -0.31 0.00 0.20 -0.43 -2.54 118.68 118.74 3hqp s LEU 82 Ca 0.10 -1.41 -0.21 0.00 0.69 0.00 0.00 54.13 53.30 3hqp s LEU 82 Cb -0.10 -1.82 -0.01 0.00 -0.43 0.00 0.00 46.19 43.84 3hqp s LEU 82 CO 0.02 -0.37 0.66 -0.62 -0.29 0.00 0.00 176.35 175.75 3hqp s ASP 83 N 1.52 6.52 0.78 3.68 -1.08 -0.29 0.12 116.67 127.92 3hqp s ASP 83 Ca -0.00 0.44 -0.11 0.00 -0.52 0.00 0.00 52.55 52.36 3hqp s ASP 83 Cb -0.21 -2.34 0.06 0.00 -1.46 0.00 0.00 42.92 38.97 3hqp s ASP 83 CO -0.00 -0.52 1.09 0.42 0.52 0.00 0.00 175.17 176.68 3hqp s THR 84 N 2.69 3.33 0.07 1.71 -4.23 -1.01 -1.15 115.64 117.04 3hqp s THR 84 Ca 0.26 0.43 -0.25 0.00 -1.18 0.00 0.00 61.69 60.96 3hqp s THR 84 Cb -0.15 -2.97 -0.16 0.00 1.34 0.00 0.00 72.50 70.56 3hqp s THR 84 CO 0.12 -0.56 1.65 0.50 -0.54 0.00 0.00 174.62 175.79 3hqp h LYS 85 N -1.13 -0.11 -1.29 3.99 3.64 -1.93 -3.42 116.57 116.32 3hqp h LYS 85 Ca -0.45 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.08 3hqp h LYS 85 Cb 1.24 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.02 3hqp h LYS 85 CO 0.53 -0.01 -0.41 0.41 -2.27 0.00 0.00 179.45 177.70 3hqp n GLY 86 N -0.94 -2.55 3.56 5.01 0.00 -1.26 -4.54 105.19 104.46 3hqp n GLY 86 Ca -0.08 -1.32 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 3hqp n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hqp s PRO 87 N -2.97 2.04 0.13 1.61 0.04 -1.26 -4.89 135.00 129.70 3hqp s PRO 87 Ca 0.00 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.41 3hqp s PRO 87 Cb 0.00 -4.82 -0.04 0.00 0.04 0.00 0.00 34.50 29.68 3hqp s PRO 87 CO 0.00 -3.84 0.01 -1.83 0.04 0.00 0.00 177.00 171.38 3hqp s GLU 88 N 8.08 0.93 -0.09 4.56 -1.05 -1.26 -4.85 118.70 125.02 3hqp s GLU 88 Ca 0.84 -1.43 0.03 0.00 -0.15 0.00 0.00 54.97 54.26 3hqp s GLU 88 Cb -0.11 0.02 -0.01 0.00 -0.44 0.00 0.00 34.13 33.58 3hqp s GLU 88 CO 0.08 -0.17 -0.19 0.42 0.95 0.00 0.00 175.26 176.36 3hqp s ILE 89 N -3.85 2.60 0.09 1.83 1.01 -1.26 -4.94 121.20 116.68 3hqp s ILE 89 Ca 0.20 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.02 3hqp s ILE 89 Cb 0.07 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3hqp s ILE 89 CO 0.00 0.56 -0.08 -0.13 0.00 0.00 0.00 174.94 175.29 3hqp s ARG 90 N -0.03 0.80 0.46 2.79 0.52 -1.26 -2.12 118.95 120.11 3hqp s ARG 90 Ca -0.05 -1.22 -0.08 0.00 -0.52 0.00 0.00 55.73 53.86 3hqp s ARG 90 Cb -0.14 -0.29 0.11 0.00 0.52 0.00 0.00 34.95 35.14 3hqp s ARG 90 CO 0.05 0.01 0.63 0.25 0.02 0.00 0.00 175.30 176.26 3hqp n THR 91 N 0.29 0.00 -2.76 0.02 -2.24 -0.48 -1.87 114.28 107.24 3hqp n THR 91 Ca -0.14 -0.47 -0.22 0.00 -2.27 0.00 0.00 64.05 60.94 3hqp n THR 91 Cb 0.59 -1.75 0.10 0.00 -2.10 0.00 0.00 70.33 67.17 3hqp n THR 91 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hqp s GLY 92 N -4.37 1.74 0.40 3.38 0.00 0.29 -4.20 107.32 104.57 3hqp s GLY 92 Ca 0.36 -1.96 -0.23 0.00 0.00 0.00 0.00 44.72 42.89 3hqp s GLY 92 CO 0.25 -1.39 0.99 1.20 0.00 0.00 0.00 173.10 174.16 3hqp s GLN 93 N -5.01 4.22 -0.05 2.90 -0.21 -0.30 -2.42 119.66 118.80 3hqp s GLN 93 Ca 0.66 1.33 0.04 0.00 0.02 0.00 0.00 55.36 57.41 3hqp s GLN 93 Cb -0.05 -2.42 -0.03 0.00 1.00 0.00 0.00 33.01 31.52 3hqp s GLN 93 CO 0.43 -0.06 -0.15 -0.06 -2.12 0.00 0.00 175.29 173.34 3hqp s PHE 94 N -1.85 2.69 0.15 0.91 0.08 -1.26 -2.27 117.98 116.43 3hqp s PHE 94 Ca 0.59 -0.17 -0.30 0.00 0.12 0.00 0.00 56.93 57.17 3hqp s PHE 94 Cb -0.16 -1.63 -0.08 0.00 -0.57 0.00 0.00 43.02 40.58 3hqp s PHE 94 CO 0.21 0.18 1.29 0.08 -0.10 0.00 0.00 175.22 176.88 3hqp s VAL 95 N -0.73 3.43 0.00 -0.44 1.01 -0.76 -3.14 120.40 119.78 3hqp s VAL 95 Ca 0.11 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.21 3hqp s VAL 95 Cb -0.11 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3hqp s VAL 95 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3hqp n GLY 96 N 2.75 0.80 1.88 4.51 0.00 -1.26 -4.36 105.19 109.51 3hqp n GLY 96 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3hqp n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqp n GLY 97 N -2.28 3.00 3.00 -0.02 0.00 -1.19 -4.96 105.19 102.74 3hqp n GLY 97 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3hqp n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hqp n ASP 98 N 0.25 -1.54 -3.42 1.61 5.75 -1.26 -4.34 116.55 113.59 3hqp n ASP 98 Ca 0.00 -2.47 -0.11 0.00 -0.01 0.00 0.00 54.79 52.21 3hqp n ASP 98 Cb 0.00 2.69 -0.09 0.00 -1.03 0.00 0.00 41.12 42.69 3hqp n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hqp s ALA 99 N -2.24 -0.95 -0.11 2.12 0.00 -0.52 -4.59 121.76 115.48 3hqp s ALA 99 Ca 0.19 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.74 3hqp s ALA 99 Cb -0.02 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 3hqp s ALA 99 CO 0.14 -1.16 1.13 0.08 0.00 0.00 0.00 175.76 175.95 3hqp s VAL 100 N 2.51 4.46 0.06 0.00 1.01 -1.26 -2.13 120.40 125.06 3hqp s VAL 100 Ca 0.10 1.76 0.04 0.00 0.00 0.00 0.00 61.98 63.88 3hqp s VAL 100 Cb -0.15 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3hqp s VAL 100 CO -0.14 -0.04 -0.01 -0.04 0.00 0.00 0.00 175.10 174.87 3hqp s MET 101 N 2.44 2.59 0.03 2.72 -1.94 -0.89 -4.83 119.30 119.42 3hqp s MET 101 Ca 0.52 -0.78 0.02 0.00 -1.71 0.00 0.00 55.69 53.75 3hqp s MET 101 Cb -0.21 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 34.05 3hqp s MET 101 CO 0.18 0.57 -0.08 -1.21 -0.01 0.00 0.00 175.02 174.46 3hqp s GLU 102 N -2.02 0.56 0.13 2.03 2.02 -1.26 -1.72 118.70 118.44 3hqp s GLU 102 Ca 0.23 -0.58 -0.32 0.00 0.02 0.00 0.00 54.97 54.33 3hqp s GLU 102 Cb -0.12 -0.44 -0.11 0.00 0.10 0.00 0.00 34.13 33.56 3hqp s GLU 102 CO 0.15 0.10 1.82 -2.13 0.02 0.00 0.00 175.26 175.22 3hqp n ARG 103 N 2.00 2.74 0.00 1.61 0.63 -1.26 -2.23 116.66 120.15 3hqp n ARG 103 Ca -0.19 1.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.74 3hqp n ARG 103 Cb 0.56 -2.88 0.00 0.00 0.45 0.00 0.00 32.46 30.59 3hqp n ARG 103 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hqp n GLY 104 N 4.17 1.53 3.77 5.14 0.00 -0.30 -4.95 105.19 114.55 3hqp n GLY 104 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3hqp n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqp s ALA 105 N -2.34 2.30 -0.10 4.61 0.00 -0.95 -4.74 121.76 120.54 3hqp s ALA 105 Ca 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 51.96 52.13 3hqp s ALA 105 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3hqp s ALA 105 CO 0.00 -1.70 0.10 -0.08 0.00 0.00 0.00 175.76 174.07 3hqp s THR 106 N -2.93 5.12 -0.05 0.00 -1.32 -1.26 -1.72 115.64 113.47 3hqp s THR 106 Ca 0.61 0.05 -0.14 0.00 -1.21 0.00 0.00 61.69 60.99 3hqp s THR 106 Cb -0.17 -3.21 0.03 0.00 -1.51 0.00 0.00 72.50 67.64 3hqp s THR 106 CO 0.56 0.60 0.33 0.00 -2.21 0.00 0.00 174.62 173.90 3hqp s TYR 108 N -0.87 2.67 -0.10 0.00 2.02 -0.17 -1.97 117.35 118.93 3hqp s TYR 108 Ca -0.09 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.40 3hqp s TYR 108 Cb -0.04 -1.64 -0.01 0.00 -0.40 0.00 0.00 41.96 39.87 3hqp s TYR 108 CO 0.03 0.13 -0.18 0.14 -1.57 0.00 0.00 175.55 174.10 3hqp s VAL 109 N -0.62 2.64 0.20 0.71 -7.23 -1.15 -2.15 120.40 112.79 3hqp s VAL 109 Ca 0.09 -0.83 0.08 0.00 -1.81 0.00 0.00 61.98 59.51 3hqp s VAL 109 Cb -0.11 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 3hqp s VAL 109 CO 0.01 0.55 -0.15 0.28 -0.31 0.00 0.00 175.10 175.48 3hqp s THR 110 N 0.12 1.73 -0.15 5.32 -1.32 -1.11 -1.81 115.64 118.41 3hqp s THR 110 Ca -0.09 -2.16 0.21 0.00 -1.21 0.00 0.00 61.69 58.45 3hqp s THR 110 Cb -0.15 -2.00 -0.13 0.00 -1.51 0.00 0.00 72.50 68.70 3hqp s THR 110 CO 0.06 -0.56 0.80 0.41 -2.21 0.00 0.00 174.62 173.11 3hqp n THR 111 N -0.27 0.54 -1.99 5.08 -1.04 -1.12 -2.74 114.28 112.75 3hqp n THR 111 Ca -0.09 -0.57 -0.42 0.00 -2.04 0.00 0.00 64.05 60.93 3hqp n THR 111 Cb 0.60 -0.30 -0.03 0.00 -1.82 0.00 0.00 70.33 68.78 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 -5.17 6.57 0.00 8.00 3.68 -1.26 -4.89 116.67 123.59 3hqp s ASP 112 Ca -0.04 2.14 0.07 0.00 2.13 0.00 0.00 52.55 56.85 3hqp s ASP 112 Cb 0.11 -2.53 0.31 0.00 -1.45 0.00 0.00 42.92 39.36 3hqp s ASP 112 CO 0.83 -1.02 1.13 -2.65 0.13 0.00 0.00 175.17 173.59 3hqp n PRO 113 N 7.30 0.06 0.15 4.34 -0.02 -1.26 -2.45 135.00 143.11 3hqp n PRO 113 Ca 0.18 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3hqp n PRO 113 Cb 0.43 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.63 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 2.28 1.00 -0.17 3.55 0.00 -2.00 -3.14 119.26 120.78 3hqp h ALA 114 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3hqp h ALA 114 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hqp h ALA 114 CO 0.00 0.69 0.00 1.19 0.00 0.00 0.00 179.25 181.13 3hqp n PHE 115 N -3.76 0.41 0.07 0.00 3.01 -1.03 -4.26 117.46 111.90 3hqp n PHE 115 Ca -0.01 -0.16 -0.10 0.00 1.01 0.00 0.00 57.45 58.19 3hqp n PHE 115 Cb 0.58 -0.11 -0.07 0.00 -0.01 0.00 0.00 39.48 39.87 3hqp n PHE 115 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hqp h ALA 116 N 2.90 -0.25 -0.23 4.37 0.00 -1.76 -3.36 119.26 120.93 3hqp h ALA 116 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3hqp h ALA 116 Cb 0.60 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3hqp h ALA 116 CO 0.07 -0.31 -0.03 0.38 0.00 0.00 0.00 179.25 179.36 3hqp h ASP 117 N -0.91 0.42 -3.34 0.00 2.03 -1.82 -0.79 116.42 112.01 3hqp h ASP 117 Ca -0.03 -0.34 -0.70 0.00 -0.73 0.00 0.00 57.03 55.23 3hqp h ASP 117 Cb 0.49 -0.11 -0.19 0.00 -0.83 0.00 0.00 39.33 38.69 3hqp h ASP 117 CO 0.04 0.67 -0.09 -0.54 -1.03 0.00 0.00 179.24 178.28 3hqp s LYS 118 N -4.85 3.09 -0.05 4.15 1.02 -1.26 -4.46 119.74 117.38 3hqp s LYS 118 Ca -0.14 -0.95 0.03 0.00 0.02 0.00 0.00 55.97 54.93 3hqp s LYS 118 Cb 0.07 -4.07 0.01 0.00 -0.52 0.00 0.00 37.83 33.32 3hqp s LYS 118 CO 0.75 -1.09 -0.13 0.20 -0.92 0.00 0.00 175.35 174.16 3hqp s GLY 119 N 2.45 0.77 0.46 -3.33 0.00 -0.96 -4.70 107.32 102.01 3hqp s GLY 119 Ca 0.12 -0.46 0.04 0.00 0.00 0.00 0.00 44.72 44.43 3hqp s GLY 119 CO 0.11 -0.03 0.05 -0.51 0.00 0.00 0.00 173.10 172.73 3hqp s THR 120 N 0.43 1.64 0.17 0.90 -4.23 -0.01 -1.83 115.64 112.72 3hqp s THR 120 Ca -0.10 -1.93 0.28 0.00 -1.18 0.00 0.00 61.69 58.76 3hqp s THR 120 Cb -0.13 -2.57 0.29 0.00 1.34 0.00 0.00 72.50 71.42 3hqp s THR 120 CO 0.03 0.00 1.91 0.07 -0.54 0.00 0.00 174.62 176.09 3hqp h LYS 121 N 1.48 0.00 0.00 3.99 2.10 -1.93 -3.19 116.57 119.02 3hqp h LYS 121 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 3hqp h LYS 121 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3hqp h LYS 121 CO 0.75 0.14 -1.55 -0.25 -2.00 0.00 0.00 179.45 176.54 3hqp n ASP 122 N -3.33 0.42 -3.67 7.07 8.00 -1.26 -4.74 116.55 119.03 3hqp n ASP 122 Ca -0.00 -0.38 -0.09 0.00 0.71 0.00 0.00 54.79 55.04 3hqp n ASP 122 Cb 0.36 1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 42.90 3hqp n ASP 122 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3hqp s LYS 123 N -3.31 0.42 0.24 -1.24 2.20 -1.20 -1.00 119.74 115.84 3hqp s LYS 123 Ca -0.01 0.95 -0.12 0.00 -0.36 0.00 0.00 55.97 56.43 3hqp s LYS 123 Cb 0.15 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.61 3hqp s LYS 123 CO 0.89 -0.19 0.44 -0.59 -0.36 0.00 0.00 175.35 175.54 3hqp s PHE 124 N 1.86 0.41 -0.04 4.03 -0.71 -0.91 -0.83 117.98 121.80 3hqp s PHE 124 Ca -0.07 -0.76 -0.03 0.00 -1.04 0.00 0.00 56.93 55.03 3hqp s PHE 124 Cb -0.09 0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 3hqp s PHE 124 CO -0.14 -0.94 0.13 -0.47 -1.34 0.00 0.00 175.22 172.46 3hqp s TYR 125 N -4.02 3.46 -0.11 3.49 5.04 -1.26 -2.76 117.35 121.20 3hqp s TYR 125 Ca 0.23 0.34 0.01 0.00 -2.44 0.00 0.00 57.07 55.22 3hqp s TYR 125 Cb 0.00 -1.83 0.02 0.00 0.35 0.00 0.00 41.96 40.50 3hqp s TYR 125 CO 0.08 0.63 -0.13 0.42 -1.34 0.00 0.00 175.55 175.22 3hqp s ILE 126 N -1.18 1.32 -0.84 3.14 1.01 -1.11 -0.55 121.20 122.99 3hqp s ILE 126 Ca 0.22 -0.52 0.18 0.00 0.00 0.00 0.00 60.65 60.53 3hqp s ILE 126 Cb -0.12 -1.24 0.17 0.00 0.01 0.00 0.00 42.46 41.27 3hqp s ILE 126 CO 0.13 0.41 1.56 -0.90 0.00 0.00 0.00 174.94 176.14 3hqp n ASP 127 N 4.37 0.21 -4.74 3.58 5.68 -0.78 -4.63 116.55 120.24 3hqp n ASP 127 Ca -0.18 0.55 -0.41 0.00 -0.50 0.00 0.00 54.79 54.25 3hqp n ASP 127 Cb 0.51 -0.60 -0.04 0.00 -1.14 0.00 0.00 41.12 39.85 3hqp n ASP 127 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3hqp s TYR 128 N -3.10 3.61 -0.04 2.11 5.04 -1.26 -4.99 117.35 118.72 3hqp s TYR 128 Ca 0.07 1.64 -0.02 0.00 -2.44 0.00 0.00 57.07 56.32 3hqp s TYR 128 Cb 0.10 -3.27 -0.01 0.00 0.35 0.00 0.00 41.96 39.14 3hqp s TYR 128 CO 0.32 -0.55 -0.03 1.96 -1.34 0.00 0.00 175.55 175.91 3hqp h GLN 129 N 4.72 0.00 -1.66 4.97 1.08 -1.93 -3.40 115.11 118.90 3hqp h GLN 129 Ca -0.45 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.45 3hqp h GLN 129 Cb 1.21 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.52 3hqp h GLN 129 CO 0.71 0.00 0.33 0.27 -0.95 0.00 0.00 178.83 179.19 3hqp n ASN 130 N -2.99 6.29 0.13 1.46 6.94 -1.26 -4.52 115.26 121.30 3hqp n ASN 130 Ca -0.01 -2.98 0.03 0.00 -0.02 0.00 0.00 54.58 51.59 3hqp n ASN 130 Cb 0.05 -1.10 0.40 0.00 -2.36 0.00 0.00 39.78 36.76 3hqp n ASN 130 CO 0.00 0.00 0.00 0.17 -1.03 0.00 0.00 177.26 176.40 3hqp h LEU 131 N 2.85 0.21 -1.57 -4.53 -0.00 -1.97 -2.38 115.31 107.92 3hqp h LEU 131 Ca 0.26 -0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 58.05 3hqp h LEU 131 Cb 0.92 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.52 3hqp h LEU 131 CO 0.66 0.37 -0.23 0.28 -0.00 0.00 0.00 178.44 179.52 3hqp h SER 132 N 0.21 0.00 1.25 0.17 0.02 -1.86 0.90 113.55 114.24 3hqp h SER 132 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3hqp h SER 132 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3hqp h SER 132 CO 0.02 0.23 -0.14 0.29 -1.14 0.00 0.00 176.83 176.09 3hqp n LYS 133 N -4.00 0.22 -0.13 3.45 5.02 -0.90 -4.09 118.16 117.73 3hqp n LYS 133 Ca -0.02 0.15 -0.20 0.00 -2.02 0.00 0.00 58.31 56.22 3hqp n LYS 133 Cb 0.31 -1.73 -0.12 0.00 -0.02 0.00 0.00 35.03 33.47 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 -2.09 1.50 -3.07 -0.18 0.31 -0.65 -4.99 118.33 109.16 3hqp n VAL 134 Ca 0.05 -0.54 -0.32 0.00 -0.01 0.00 0.00 64.34 63.52 3hqp n VAL 134 Cb 0.42 -1.51 -0.06 0.00 -0.91 0.00 0.00 33.84 31.78 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 -2.52 4.63 0.25 2.52 -7.23 0.22 -5.07 120.40 113.21 3hqp s VAL 135 Ca -0.36 1.03 0.11 0.00 -1.81 0.00 0.00 61.98 60.95 3hqp s VAL 135 Cb 0.10 -3.61 -0.05 0.00 0.56 0.00 0.00 36.38 33.38 3hqp s VAL 135 CO 0.58 -0.23 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.82 3hqp s ARG 136 N -3.07 1.71 -0.55 4.82 1.81 -1.26 -4.83 118.95 117.57 3hqp s ARG 136 Ca 0.55 -1.64 -0.26 0.00 -1.72 0.00 0.00 55.73 52.66 3hqp s ARG 136 Cb -0.10 -1.85 -0.07 0.00 -0.45 0.00 0.00 34.95 32.49 3hqp s ARG 136 CO 0.17 0.36 2.29 -2.14 -0.68 0.00 0.00 175.30 175.30 3hqp s PRO 137 N -3.25 2.16 0.00 3.54 0.02 -1.26 -1.69 135.00 134.53 3hqp s PRO 137 Ca 0.27 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.41 3hqp s PRO 137 Cb -0.06 -4.58 0.00 0.00 0.02 0.00 0.00 34.50 29.88 3hqp s PRO 137 CO 0.14 -3.29 0.00 0.41 -0.33 0.00 0.00 177.00 173.93 3hqp n GLY 138 N 6.04 1.24 3.77 0.52 0.00 -0.66 -4.99 105.19 111.11 3hqp n GLY 138 Ca 0.34 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 3hqp n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hqp s ASN 139 N -0.23 4.52 0.08 1.61 0.02 -0.68 -4.67 114.94 115.60 3hqp s ASN 139 Ca 0.00 1.85 0.02 0.00 -1.02 0.00 0.00 52.86 53.71 3hqp s ASN 139 Cb 0.00 -2.53 -0.04 0.00 0.02 0.00 0.00 41.25 38.71 3hqp s ASN 139 CO 0.00 -2.02 0.12 -0.31 0.02 0.00 0.00 177.10 174.90 3hqp s TYR 140 N -2.84 3.27 -0.09 2.20 2.02 -1.26 -1.15 117.35 119.49 3hqp s TYR 140 Ca 0.62 0.11 0.04 0.00 -0.37 0.00 0.00 57.07 57.47 3hqp s TYR 140 Cb -0.18 -1.65 -0.00 0.00 -0.40 0.00 0.00 41.96 39.74 3hqp s TYR 140 CO 0.55 0.54 -0.23 0.42 -1.57 0.00 0.00 175.55 175.25 3hqp s ILE 141 N -1.45 1.99 -0.38 2.71 1.01 0.59 -4.95 121.20 120.72 3hqp s ILE 141 Ca 0.31 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 3hqp s ILE 141 Cb -0.12 -1.72 0.04 0.00 0.01 0.00 0.00 42.46 40.66 3hqp s ILE 141 CO 0.24 0.55 0.22 -0.31 0.00 0.00 0.00 174.94 175.63 3hqp s TYR 142 N 0.32 3.26 -0.18 3.97 1.51 -1.19 -1.14 117.35 123.89 3hqp s TYR 142 Ca -0.17 -1.05 -0.08 0.00 -1.01 0.00 0.00 57.07 54.75 3hqp s TYR 142 Cb -0.17 -2.53 -0.04 0.00 -0.11 0.00 0.00 41.96 39.10 3hqp s TYR 142 CO 0.08 -0.69 0.09 0.42 -1.11 0.00 0.00 175.55 174.34 3hqp s ILE 143 N 1.54 5.01 -0.31 2.71 -1.09 0.13 -0.73 121.20 128.45 3hqp s ILE 143 Ca 0.02 0.04 -0.10 0.00 -2.23 0.00 0.00 60.65 58.38 3hqp s ILE 143 Cb -0.20 -3.26 0.01 0.00 -1.58 0.00 0.00 42.46 37.43 3hqp s ILE 143 CO 0.06 0.47 0.37 -0.67 -1.23 0.00 0.00 174.94 173.94 3hqp n ASP 144 N 3.39 -6.61 -3.11 3.58 2.03 0.10 -0.99 116.55 114.95 3hqp n ASP 144 Ca -0.17 0.55 -0.15 0.00 0.52 0.00 0.00 54.79 55.54 3hqp n ASP 144 Cb 0.52 -4.39 -0.02 0.00 -0.72 0.00 0.00 41.12 36.52 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 -0.17 -2.06 0.00 1.67 8.00 -1.24 -0.43 116.55 122.32 3hqp n ASP 145 Ca 0.07 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.49 3hqp n ASP 145 Cb 0.29 -1.81 0.00 0.00 -0.02 0.00 0.00 41.12 39.57 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 -0.79 0.63 0.11 0.44 0.00 -1.25 -4.72 105.19 99.61 3hqp n GLY 146 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 1.26 -3.29 -0.61 2.04 -0.70 -3.43 117.51 112.78 3hqp h ILE 147 Ca 0.00 -0.85 -0.60 0.00 1.00 0.00 0.00 64.86 64.41 3hqp h ILE 147 Cb 0.04 1.56 -0.12 0.00 -0.74 0.00 0.00 36.82 37.56 3hqp h ILE 147 CO 0.00 0.25 -0.48 -0.22 0.00 0.00 0.00 178.15 177.70 3hqp s LEU 148 N -9.50 4.21 -0.07 1.44 2.96 -0.16 -4.99 118.68 112.56 3hqp s LEU 148 Ca -0.14 0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 3hqp s LEU 148 Cb 0.05 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 3hqp s LEU 148 CO 0.71 0.17 -0.24 -0.63 -1.32 0.00 0.00 176.35 175.04 3hqp s ILE 149 N 0.41 2.08 -0.08 6.68 1.01 -1.26 0.20 121.20 130.25 3hqp s ILE 149 Ca 0.08 -1.04 0.05 0.00 0.00 0.00 0.00 60.65 59.74 3hqp s ILE 149 Cb -0.11 -1.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 3hqp s ILE 149 CO -0.01 0.57 -0.22 -0.76 0.00 0.00 0.00 174.94 174.51 3hqp s LEU 150 N 0.00 2.01 -0.30 2.97 1.43 -0.29 -2.28 118.68 122.21 3hqp s LEU 150 Ca -0.09 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.40 3hqp s LEU 150 Cb -0.15 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 3hqp s LEU 150 CO 0.05 0.17 0.27 -1.58 0.23 0.00 0.00 176.35 175.49 3hqp s GLN 151 N 0.18 3.78 0.02 1.70 0.74 -0.06 -0.30 119.66 125.71 3hqp s GLN 151 Ca -0.12 -0.35 -0.30 0.00 0.05 0.00 0.00 55.36 54.64 3hqp s GLN 151 Cb -0.16 -3.72 -0.07 0.00 1.10 0.00 0.00 33.01 30.17 3hqp s GLN 151 CO 0.06 -0.32 1.55 0.08 -0.55 0.00 0.00 175.29 176.10 3hqp s VAL 152 N 1.85 3.40 -0.24 1.34 1.01 -0.30 -1.41 120.40 126.05 3hqp s VAL 152 Ca 0.09 0.78 -0.12 0.00 0.00 0.00 0.00 61.98 62.72 3hqp s VAL 152 Cb -0.16 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 3hqp s VAL 152 CO 0.11 -0.01 -0.32 1.67 0.00 0.00 0.00 175.10 176.55 3hqp n GLN 153 N 5.75 0.52 -3.81 2.72 -0.06 0.53 -1.65 117.38 121.38 3hqp n GLN 153 Ca 0.15 0.23 -0.09 0.00 -2.00 0.00 0.00 57.00 55.29 3hqp n GLN 153 Cb 0.42 -1.37 -0.03 0.00 -4.06 0.00 0.00 30.24 25.20 3hqp n GLN 153 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 3hqp s SER 154 N -7.16 -0.26 -0.18 1.69 1.04 -1.15 -4.67 113.70 103.02 3hqp s SER 154 Ca -0.34 -0.57 -0.16 0.00 0.48 0.00 0.00 55.95 55.36 3hqp s SER 154 Cb 0.13 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.85 3hqp s SER 154 CO 0.43 -1.18 0.38 -1.00 0.98 0.00 0.00 173.24 172.85 3hqp s HIS 155 N -3.91 3.41 -0.08 5.02 3.76 -1.26 -1.26 115.29 120.97 3hqp s HIS 155 Ca 0.12 0.64 -0.21 0.00 -0.15 0.00 0.00 55.06 55.46 3hqp s HIS 155 Cb -0.03 -2.48 -0.29 0.00 1.11 0.00 0.00 32.58 30.89 3hqp s HIS 155 CO 0.02 0.07 0.75 0.93 -0.85 0.00 0.00 174.74 175.67 3hqp h GLU 156 N 7.12 0.23 0.00 1.40 4.39 -1.76 -3.47 114.58 122.49 3hqp h GLU 156 Ca -0.38 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 58.93 3hqp h GLU 156 Cb 1.16 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3hqp h GLU 156 CO 0.73 1.19 0.00 -0.40 -1.16 0.00 0.00 179.01 179.37 3hqp n ASP 157 N -4.15 0.00 0.00 1.42 5.68 -1.22 -5.03 116.55 113.25 3hqp n ASP 157 Ca -0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 3hqp n ASP 157 Cb 0.79 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.77 3hqp n ASP 157 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3hqp n GLU 158 N -0.13 0.62 0.00 0.11 2.13 -1.26 -4.93 120.64 117.19 3hqp n GLU 158 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3hqp n GLU 158 Cb 0.00 -0.05 0.00 0.00 0.27 0.00 0.00 31.44 31.66 3hqp n GLU 158 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3hqp n GLN 159 N 0.00 3.16 -4.55 5.31 6.02 -1.26 -4.78 117.38 121.27 3hqp n GLN 159 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 3hqp n GLN 159 Cb 0.00 -0.74 -0.12 0.00 1.02 0.00 0.00 30.24 30.41 3hqp n GLN 159 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hqp s THR 160 N -0.95 3.76 0.03 5.09 2.01 -1.26 -2.78 115.64 121.54 3hqp s THR 160 Ca 0.00 -0.44 0.09 0.00 0.31 0.00 0.00 61.69 61.65 3hqp s THR 160 Cb 0.00 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 3hqp s THR 160 CO 0.00 0.56 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.48 3hqp s LEU 161 N -0.38 2.14 -0.37 4.42 1.43 -0.75 -2.03 118.68 123.13 3hqp s LEU 161 Ca 0.06 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.39 3hqp s LEU 161 Cb -0.12 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.87 3hqp s LEU 161 CO 0.02 0.26 0.76 -0.70 0.23 0.00 0.00 176.35 176.92 3hqp s GLU 162 N -1.06 3.69 0.15 1.70 2.12 -0.39 -2.95 118.70 121.97 3hqp s GLU 162 Ca 0.11 0.21 0.10 0.00 0.36 0.00 0.00 54.97 55.75 3hqp s GLU 162 Cb -0.10 -3.83 -0.04 0.00 0.26 0.00 0.00 34.13 30.43 3hqp s GLU 162 CO 0.01 -0.86 -0.22 0.00 -0.54 0.00 0.00 175.26 173.65 3hqp s THR 164 N -1.56 2.34 0.07 0.00 2.01 -0.50 -2.36 115.64 115.64 3hqp s THR 164 Ca 0.15 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 3hqp s THR 164 Cb -0.08 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 3hqp s THR 164 CO 0.07 0.56 1.12 -0.69 -0.69 0.00 0.00 174.62 174.99 3hqp s VAL 165 N 0.14 4.21 -0.09 3.82 1.01 -0.70 -0.88 120.40 127.91 3hqp s VAL 165 Ca -0.11 1.64 0.14 0.00 0.00 0.00 0.00 61.98 63.65 3hqp s VAL 165 Cb -0.16 -4.05 -0.23 0.00 0.00 0.00 0.00 36.38 31.94 3hqp s VAL 165 CO 0.06 0.16 0.50 0.35 0.00 0.00 0.00 175.10 176.18 3hqp n THR 166 N 3.61 1.54 -3.81 3.92 -2.24 -0.97 -1.14 114.28 115.18 3hqp n THR 166 Ca 0.07 -0.81 -0.11 0.00 -2.27 0.00 0.00 64.05 60.92 3hqp n THR 166 Cb 0.47 -0.87 -0.08 0.00 -2.10 0.00 0.00 70.33 67.75 3hqp n THR 166 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hqp s ASN 167 N -5.92 -0.05 0.14 3.42 2.20 -1.26 -4.65 114.94 108.82 3hqp s ASN 167 Ca -0.06 -0.21 -0.30 0.00 -0.94 0.00 0.00 52.86 51.35 3hqp s ASN 167 Cb 0.07 0.30 -0.07 0.00 -2.00 0.00 0.00 41.25 39.55 3hqp s ASN 167 CO 0.83 -0.52 1.05 -0.44 -2.94 0.00 0.00 177.10 175.08 3hqp s SER 168 N -1.82 7.34 -0.29 3.54 0.01 -1.26 -4.19 113.70 117.03 3hqp s SER 168 Ca -0.08 1.96 -0.19 0.00 1.31 0.00 0.00 55.95 58.95 3hqp s SER 168 Cb -0.03 -2.60 0.17 0.00 0.21 0.00 0.00 66.02 63.77 3hqp s SER 168 CO -0.01 -0.18 1.13 -2.28 0.41 0.00 0.00 173.24 172.30 3hqp s HIS 169 N -0.02 -0.34 -0.12 2.43 5.04 -0.70 -4.93 115.29 116.64 3hqp s HIS 169 Ca 0.49 0.73 -0.16 0.00 -1.54 0.00 0.00 55.06 54.58 3hqp s HIS 169 Cb -0.27 0.28 -0.04 0.00 0.04 0.00 0.00 32.58 32.59 3hqp s HIS 169 CO 0.32 -0.17 0.40 0.99 -2.34 0.00 0.00 174.74 173.94 3hqp s THR 170 N 0.89 5.22 0.02 0.89 2.01 -1.26 -2.10 115.64 121.30 3hqp s THR 170 Ca -0.04 0.78 0.08 0.00 0.31 0.00 0.00 61.69 62.81 3hqp s THR 170 Cb -0.04 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 3hqp s THR 170 CO -0.12 0.37 -0.23 0.27 -0.69 0.00 0.00 174.62 174.22 3hqp s ILE 171 N 0.41 1.83 0.00 1.82 -4.36 -0.90 -4.97 121.20 115.02 3hqp s ILE 171 Ca 0.22 -1.13 0.00 0.00 -0.26 0.00 0.00 60.65 59.48 3hqp s ILE 171 Cb -0.14 -1.55 0.00 0.00 1.25 0.00 0.00 42.46 42.02 3hqp s ILE 171 CO 0.08 0.38 0.00 -1.20 0.24 0.00 0.00 174.94 174.44 3hqp n SER 172 N 2.14 0.00 -4.76 4.36 7.64 -1.26 -1.43 113.62 120.31 3hqp n SER 172 Ca -0.16 -0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.14 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 0.47 -3.01 0.00 0.00 175.04 172.50 3hqp n ASP 173 N -0.48 3.55 -3.03 6.43 9.92 -1.26 -4.21 116.55 127.47 3hqp n ASP 173 Ca 0.00 1.22 -0.26 0.00 -0.53 0.00 0.00 54.79 55.22 3hqp n ASP 173 Cb 0.00 -1.59 0.02 0.00 -0.64 0.00 0.00 41.12 38.91 3hqp n ASP 173 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 3hqp n ARG 174 N 0.55 -1.33 -2.98 -1.24 1.85 -1.01 -4.92 116.66 107.57 3hqp n ARG 174 Ca 0.02 0.89 -0.39 0.00 -1.00 0.00 0.00 57.85 57.37 3hqp n ARG 174 Cb 0.38 -1.50 -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 -2.52 4.56 -0.13 2.89 1.81 -1.26 -4.55 118.95 119.75 3hqp s ARG 175 Ca 0.20 1.15 -0.29 0.00 -1.72 0.00 0.00 55.73 55.07 3hqp s ARG 175 Cb -0.02 -3.27 -0.06 0.00 -0.45 0.00 0.00 34.95 31.15 3hqp s ARG 175 CO 0.65 0.55 1.99 0.20 -0.68 0.00 0.00 175.30 178.01 3hqp s GLY 176 N -1.07 1.02 -0.17 -3.53 0.00 -1.26 -1.38 107.32 100.92 3hqp s GLY 176 Ca 0.36 0.90 -0.07 0.00 0.00 0.00 0.00 44.72 45.91 3hqp s GLY 176 CO 0.26 3.50 0.07 0.54 0.00 0.00 0.00 173.10 177.47 3hqp s VAL 177 N 6.19 4.88 -0.06 1.40 0.11 -0.90 0.03 120.40 132.05 3hqp s VAL 177 Ca 0.89 -0.01 0.05 0.00 -2.93 0.00 0.00 61.98 59.99 3hqp s VAL 177 Cb -0.35 -3.18 -0.01 0.00 -1.53 0.00 0.00 36.38 31.31 3hqp s VAL 177 CO 0.36 0.48 -0.23 0.20 -3.33 0.00 0.00 175.10 172.59 3hqp s ASN 178 N 0.16 2.81 -0.45 3.54 0.01 0.09 -4.36 114.94 116.74 3hqp s ASN 178 Ca 0.05 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.77 3hqp s ASN 178 Cb -0.12 -0.83 0.12 0.00 0.41 0.00 0.00 41.25 40.83 3hqp s ASN 178 CO 0.00 0.21 0.18 -0.76 -1.51 0.00 0.00 177.10 175.22 3hqp s LEU 179 N -0.05 4.57 0.06 0.60 2.01 -1.26 -3.19 118.68 121.40 3hqp s LEU 179 Ca -0.05 -2.63 -0.30 0.00 0.01 0.00 0.00 54.13 51.16 3hqp s LEU 179 Cb -0.14 -1.65 -0.05 0.00 0.01 0.00 0.00 46.19 44.36 3hqp s LEU 179 CO 0.04 -0.31 1.13 -2.84 1.01 0.00 0.00 176.35 175.38 3hqp s PRO 180 N 0.25 4.48 -1.28 1.29 0.02 -1.26 -3.60 135.00 134.90 3hqp s PRO 180 Ca 0.14 1.68 -0.08 0.00 0.02 0.00 0.00 61.00 62.75 3hqp s PRO 180 Cb -0.23 -3.37 0.01 0.00 0.02 0.00 0.00 34.50 30.93 3hqp s PRO 180 CO -0.04 -0.17 1.10 0.41 -0.33 0.00 0.00 177.00 177.97 3hqp n GLY 181 N 3.04 -0.45 0.03 0.52 0.00 -1.26 -4.92 105.19 102.14 3hqp n GLY 181 Ca 0.08 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.19 -6.94 -4.85 0.00 4.64 -1.26 -5.02 116.55 100.93 3hqp n ASP 183 Ca -0.10 1.21 -0.32 0.00 -1.38 0.00 0.00 54.79 54.20 3hqp n ASP 183 Cb 0.65 -4.65 -0.01 0.00 -1.04 0.00 0.00 41.12 36.07 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 -1.35 4.56 -1.11 5.18 -7.23 -1.26 -5.00 120.40 114.19 3hqp s VAL 184 Ca -0.01 1.01 -0.04 0.00 -1.81 0.00 0.00 61.98 61.13 3hqp s VAL 184 Cb 0.00 -3.76 0.29 0.00 0.56 0.00 0.00 36.38 33.47 3hqp s VAL 184 CO 0.66 -0.91 1.59 -0.67 -0.31 0.00 0.00 175.10 175.46 3hqp n ASP 185 N -2.24 6.38 -3.84 4.85 2.03 -1.26 -4.95 116.55 117.52 3hqp n ASP 185 Ca 0.06 -3.40 -0.23 0.00 0.52 0.00 0.00 54.79 51.75 3hqp n ASP 185 Cb 0.54 -1.29 -0.17 0.00 -0.72 0.00 0.00 41.12 39.48 3hqp n ASP 185 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hqp s LEU 186 N -2.58 0.97 1.36 -2.67 1.02 -1.26 -5.06 118.68 110.45 3hqp s LEU 186 Ca 0.33 -0.15 -0.20 0.00 0.02 0.00 0.00 54.13 54.13 3hqp s LEU 186 Cb 0.07 -0.53 0.35 0.00 0.02 0.00 0.00 46.19 46.10 3hqp s LEU 186 CO 0.07 -0.13 0.96 -2.84 0.02 0.00 0.00 176.35 174.43 3hqp s PRO 187 N 1.54 -2.45 0.06 1.29 0.02 -1.26 -4.98 135.00 129.23 3hqp s PRO 187 Ca -0.01 0.28 -0.27 0.00 0.02 0.00 0.00 61.00 61.03 3hqp s PRO 187 Cb -0.13 -1.42 -0.17 0.00 0.02 0.00 0.00 34.50 32.80 3hqp s PRO 187 CO -0.04 -4.59 1.57 0.00 -0.33 0.00 0.00 177.00 173.61 3hqp h ALA 188 N -3.22 -0.34 -4.08 -1.55 0.00 -2.00 -3.45 119.26 104.61 3hqp h ALA 188 Ca -0.48 -0.11 -0.52 0.00 0.00 0.00 0.00 54.91 53.80 3hqp h ALA 188 Cb 1.34 0.13 -0.27 0.00 0.00 0.00 0.00 17.79 18.99 3hqp h ALA 188 CO 0.34 -0.64 -0.82 0.54 0.00 0.00 0.00 179.25 178.67 3hqp s VAL 189 N -5.71 1.34 0.41 0.00 0.11 -1.26 -4.74 120.40 110.55 3hqp s VAL 189 Ca -0.15 -0.90 0.08 0.00 -2.93 0.00 0.00 61.98 58.08 3hqp s VAL 189 Cb 0.04 -1.15 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 3hqp s VAL 189 CO 0.63 0.23 0.47 -0.44 -3.33 0.00 0.00 175.10 172.65 3hqp s SER 190 N -0.79 5.37 0.14 3.54 0.01 -1.26 -5.03 113.70 115.68 3hqp s SER 190 Ca 0.05 -0.57 -0.03 0.00 1.31 0.00 0.00 55.95 56.71 3hqp s SER 190 Cb -0.07 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 3hqp s SER 190 CO 0.00 -0.68 1.35 0.00 0.41 0.00 0.00 173.24 174.32 3hqp h ALA 191 N 0.85 0.44 0.00 1.44 0.00 -2.01 -3.15 119.26 116.83 3hqp h ALA 191 Ca -0.41 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 53.81 3hqp h ALA 191 Cb 1.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3hqp h ALA 191 CO 0.52 0.80 -0.05 -0.22 0.00 0.00 0.00 179.25 180.30 3hqp h LYS 192 N 0.24 0.00 0.09 0.00 3.64 -2.00 -3.00 116.57 115.54 3hqp h LYS 192 Ca -0.06 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.01 3hqp h LYS 192 Cb 1.48 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.28 3hqp h LYS 192 CO 0.15 0.05 -1.60 -0.44 -2.27 0.00 0.00 179.45 175.34 3hqp h ASP 193 N 0.00 0.28 0.52 4.20 3.32 -1.97 -3.34 116.42 119.43 3hqp h ASP 193 Ca -0.00 -0.45 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 3hqp h ASP 193 Cb 0.40 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3hqp h ASP 193 CO 0.01 1.38 -0.21 0.03 -1.72 0.00 0.00 179.24 178.73 3hqp h ARG 194 N 0.05 0.00 0.00 3.56 3.08 -1.49 -0.98 114.38 118.61 3hqp h ARG 194 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3hqp h ARG 194 Cb 2.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.05 3hqp h ARG 194 CO 0.13 0.21 0.00 0.28 -1.07 0.00 0.00 179.97 179.52 3hqp n VAL 195 N -3.67 0.33 -0.13 2.04 0.31 -1.17 -2.97 118.33 113.08 3hqp n VAL 195 Ca -0.01 0.08 -0.18 0.00 -0.01 0.00 0.00 64.34 64.22 3hqp n VAL 195 Cb 0.33 -0.68 -0.12 0.00 -0.91 0.00 0.00 33.84 32.46 3hqp n VAL 195 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3hqp n ASP 196 N -1.43 2.00 0.02 4.52 9.92 -0.48 -4.47 116.55 126.64 3hqp n ASP 196 Ca 0.08 -0.13 -0.13 0.00 -0.53 0.00 0.00 54.79 54.07 3hqp n ASP 196 Cb 0.25 -0.41 -0.09 0.00 -0.64 0.00 0.00 41.12 40.23 3hqp n ASP 196 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3hqp h LEU 197 N -0.01 -0.06 -2.03 0.64 3.38 -1.30 -3.03 115.31 112.91 3hqp h LEU 197 Ca -0.57 -0.36 0.14 0.00 0.09 0.00 0.00 57.88 57.17 3hqp h LEU 197 Cb 1.89 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 3hqp h LEU 197 CO -0.09 0.34 0.38 -0.61 0.09 0.00 0.00 178.44 178.55 3hqp h GLN 198 N -0.47 0.00 -0.33 1.13 5.75 -1.81 -1.53 115.11 117.85 3hqp h GLN 198 Ca -0.01 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.34 3hqp h GLN 198 Cb 0.42 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.97 3hqp h GLN 198 CO 0.01 0.00 -0.39 0.35 -2.65 0.00 0.00 178.83 176.15 3hqp h PHE 199 N 0.00 1.02 -0.30 3.99 3.57 -1.75 -2.92 116.94 120.55 3hqp h PHE 199 Ca 0.22 -0.32 -0.06 0.00 3.53 0.00 0.00 57.97 61.34 3hqp h PHE 199 Cb 0.98 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 3hqp h PHE 199 CO 0.00 1.13 -0.03 0.78 -2.23 0.00 0.00 178.31 177.96 3hqp h GLY 200 N 0.62 0.60 0.36 2.40 0.00 -1.23 -0.85 103.07 104.98 3hqp h GLY 200 Ca 0.04 -0.46 0.10 0.00 0.00 0.00 0.00 47.33 47.01 3hqp h GLY 200 CO 0.09 0.43 0.26 -2.08 0.00 0.00 0.00 176.54 175.24 3hqp h VAL 201 N 0.34 0.76 -0.30 4.60 2.07 -1.53 0.48 116.25 122.66 3hqp h VAL 201 Ca 0.08 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 3hqp h VAL 201 Cb 0.49 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3hqp h VAL 201 CO 0.02 0.08 -0.07 -0.33 0.02 0.00 0.00 177.57 177.30 3hqp h GLU 202 N 0.44 0.58 0.00 1.57 5.08 -1.44 -3.13 114.58 117.68 3hqp h GLU 202 Ca 0.33 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3hqp h GLU 202 Cb 0.42 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3hqp h GLU 202 CO -0.32 0.77 0.00 1.04 -1.00 0.00 0.00 179.01 179.50 3hqp n GLN 203 N -4.48 0.11 -2.46 2.33 1.13 -0.33 -4.93 117.38 108.76 3hqp n GLN 203 Ca -0.03 0.06 -0.03 0.00 -1.94 0.00 0.00 57.00 55.07 3hqp n GLN 203 Cb 0.32 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.18 3hqp n GLN 203 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hqp n GLY 204 N 1.02 0.59 3.74 1.08 0.00 0.16 -5.04 105.19 106.74 3hqp n GLY 204 Ca 0.08 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 3hqp n GLY 204 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hqp s VAL 205 N -3.04 2.98 -0.18 1.61 -7.23 -0.66 -4.98 120.40 108.90 3hqp s VAL 205 Ca 0.05 0.33 0.06 0.00 -1.81 0.00 0.00 61.98 60.61 3hqp s VAL 205 Cb -0.02 -2.71 -0.22 0.00 0.56 0.00 0.00 36.38 33.99 3hqp s VAL 205 CO 0.09 -0.40 0.13 0.47 -0.31 0.00 0.00 175.10 175.08 3hqp n ASP 206 N -3.61 1.30 -3.81 4.85 8.00 -0.59 -4.84 116.55 117.85 3hqp n ASP 206 Ca 0.10 0.07 -0.10 0.00 0.71 0.00 0.00 54.79 55.57 3hqp n ASP 206 Cb 0.53 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.49 3hqp n ASP 206 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hqp s MET 207 N -2.53 1.11 -0.07 -1.24 0.23 -1.18 -2.17 119.30 113.46 3hqp s MET 207 Ca -0.20 -0.94 0.05 0.00 -1.03 0.00 0.00 55.69 53.56 3hqp s MET 207 Cb 0.07 0.42 -0.01 0.00 -1.53 0.00 0.00 34.83 33.79 3hqp s MET 207 CO 0.74 -0.42 -0.23 0.42 -2.03 0.00 0.00 175.02 173.50 3hqp s ILE 208 N -3.88 2.23 -0.98 3.16 -1.09 0.11 -1.31 121.20 119.43 3hqp s ILE 208 Ca 0.09 -1.00 -0.10 0.00 -2.23 0.00 0.00 60.65 57.41 3hqp s ILE 208 Cb 0.02 -1.83 0.25 0.00 -1.58 0.00 0.00 42.46 39.32 3hqp s ILE 208 CO -0.06 0.57 0.95 -0.36 -1.23 0.00 0.00 174.94 174.80 3hqp s PHE 209 N -0.10 4.04 -0.24 3.97 0.08 0.12 0.20 117.98 126.05 3hqp s PHE 209 Ca -0.05 -2.48 -0.29 0.00 0.12 0.00 0.00 56.93 54.23 3hqp s PHE 209 Cb -0.14 -3.77 -0.03 0.00 -0.57 0.00 0.00 43.02 38.51 3hqp s PHE 209 CO 0.04 -0.95 1.68 0.00 -0.10 0.00 0.00 175.22 175.90 3hqp s ALA 210 N -0.74 3.17 0.51 5.36 0.00 -0.26 -2.41 121.76 127.39 3hqp s ALA 210 Ca 0.26 0.44 -0.18 0.00 0.00 0.00 0.00 51.96 52.48 3hqp s ALA 210 Cb -0.10 -3.90 -0.08 0.00 0.00 0.00 0.00 23.12 19.04 3hqp s ALA 210 CO -0.09 -2.13 1.01 -1.12 0.00 0.00 0.00 175.76 173.43 3hqp s SER 211 N 4.78 6.44 -1.56 0.00 0.01 -1.26 -1.06 113.70 121.05 3hqp s SER 211 Ca 0.75 1.74 -0.13 0.00 1.31 0.00 0.00 55.95 59.61 3hqp s SER 211 Cb -0.25 -2.53 0.10 0.00 0.21 0.00 0.00 66.02 63.54 3hqp s SER 211 CO 0.31 -0.71 0.84 0.49 0.41 0.00 0.00 173.24 174.58 3hqp n PHE 212 N -1.32 -2.01 -2.01 2.43 3.72 -1.23 -4.45 117.46 112.60 3hqp n PHE 212 Ca 0.08 0.85 -0.43 0.00 -0.05 0.00 0.00 57.45 57.90 3hqp n PHE 212 Cb 0.53 -3.62 -0.03 0.00 -0.94 0.00 0.00 39.48 35.42 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 -3.40 3.57 -0.18 4.37 -1.09 -1.10 -4.81 121.20 118.57 3hqp s ILE 213 Ca 0.57 0.66 0.16 0.00 -2.23 0.00 0.00 60.65 59.81 3hqp s ILE 213 Cb -0.30 -3.51 -0.22 0.00 -1.58 0.00 0.00 42.46 36.85 3hqp s ILE 213 CO 0.87 -0.14 0.06 -2.11 -1.23 0.00 0.00 174.94 172.38 3hqp n ARG 214 N 7.45 1.02 -4.04 2.79 1.85 -1.26 -4.12 116.66 120.35 3hqp n ARG 214 Ca 0.19 -0.01 -0.10 0.00 -1.00 0.00 0.00 57.85 56.93 3hqp n ARG 214 Cb 0.44 -1.47 -0.07 0.00 -1.05 0.00 0.00 32.46 30.31 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 -5.26 0.05 0.33 2.89 1.04 -1.26 -4.02 113.70 107.47 3hqp s SER 215 Ca -0.10 -1.02 0.11 0.00 0.48 0.00 0.00 55.95 55.42 3hqp s SER 215 Cb 0.05 0.45 0.58 0.00 0.10 0.00 0.00 66.02 67.20 3hqp s SER 215 CO 0.74 -0.93 1.75 0.00 0.98 0.00 0.00 173.24 175.78 3hqp h ALA 216 N 2.52 1.23 -0.77 5.32 0.00 -1.87 -2.98 119.26 122.71 3hqp h ALA 216 Ca -0.31 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3hqp h ALA 216 Cb 1.24 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3hqp h ALA 216 CO 0.47 0.57 0.43 1.49 0.00 0.00 0.00 179.25 182.22 3hqp h GLU 217 N 0.02 1.05 -0.52 0.00 4.81 -1.96 -2.74 114.58 115.23 3hqp h GLU 217 Ca -0.00 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 3hqp h GLU 217 Cb 0.81 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3hqp h GLU 217 CO 0.06 0.76 -0.11 0.37 -0.73 0.00 0.00 179.01 179.36 3hqp h GLN 218 N 1.06 0.99 -0.49 1.92 4.15 -1.92 -2.98 115.11 117.84 3hqp h GLN 218 Ca 0.27 -0.36 0.02 0.00 0.77 0.00 0.00 58.65 59.36 3hqp h GLN 218 Cb 0.00 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 3hqp h GLN 218 CO -0.05 1.04 0.29 0.28 -1.93 0.00 0.00 178.83 178.46 3hqp h VAL 219 N 0.88 1.05 -0.45 2.39 2.07 -1.45 -2.43 116.25 118.30 3hqp h VAL 219 Ca 0.14 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 3hqp h VAL 219 Cb 0.67 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3hqp h VAL 219 CO 0.05 0.10 0.06 1.23 0.02 0.00 0.00 177.57 179.03 3hqp h GLY 220 N 0.57 0.75 1.46 2.17 0.00 -1.53 -2.67 103.07 103.83 3hqp h GLY 220 Ca 0.20 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 3hqp h GLY 220 CO -0.09 0.42 0.31 -0.55 0.00 0.00 0.00 176.54 176.63 3hqp h ASP 221 N 0.67 0.63 -0.01 0.19 3.32 -1.29 0.17 116.42 120.11 3hqp h ASP 221 Ca 0.14 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 3hqp h ASP 221 Cb 0.33 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 3hqp h ASP 221 CO 0.01 0.49 -0.60 0.58 -1.72 0.00 0.00 179.24 178.00 3hqp h VAL 222 N 0.73 1.32 -0.25 -1.35 2.07 -1.18 -1.45 116.25 116.14 3hqp h VAL 222 Ca 0.19 -1.85 -0.15 0.00 0.82 0.00 0.00 66.70 65.71 3hqp h VAL 222 Cb -0.02 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3hqp h VAL 222 CO -0.04 0.58 -0.44 -0.09 0.02 0.00 0.00 177.57 177.61 3hqp h ARG 223 N 0.46 0.73 -0.18 1.57 2.43 -1.15 -1.89 114.38 116.35 3hqp h ARG 223 Ca -0.00 -0.46 -0.11 0.00 -0.81 0.00 0.00 59.98 58.60 3hqp h ARG 223 Cb 1.16 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3hqp h ARG 223 CO 0.12 1.08 -0.35 -0.22 -1.51 0.00 0.00 179.97 179.09 3hqp h LYS 224 N 0.46 0.38 0.00 0.20 1.63 -1.03 -2.45 116.57 115.76 3hqp h LYS 224 Ca 0.01 -0.16 -0.05 0.00 -0.85 0.00 0.00 60.65 59.60 3hqp h LYS 224 Cb 1.04 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.65 3hqp h LYS 224 CO 0.10 0.68 -0.25 0.00 -3.45 0.00 0.00 179.45 176.53 3hqp h ALA 225 N 1.31 1.27 0.00 5.00 0.00 -1.17 -2.32 119.26 123.35 3hqp h ALA 225 Ca 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3hqp h ALA 225 Cb 0.77 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hqp h ALA 225 CO 0.06 0.32 -0.15 -0.07 0.00 0.00 0.00 179.25 179.40 3hqp h LEU 226 N 0.00 0.00 0.00 0.00 3.38 -0.85 -3.44 115.31 114.40 3hqp h LEU 226 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hqp h LEU 226 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3hqp h LEU 226 CO 0.03 0.15 -0.01 0.61 0.09 0.00 0.00 178.44 179.32 3hqp n GLY 227 N 0.37 -1.63 0.15 0.83 0.00 -0.88 -3.67 105.19 100.36 3hqp n GLY 227 Ca 0.01 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.91 3hqp n GLY 227 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hqp h PRO 228 N 0.00 0.00 0.00 1.61 0.13 -1.89 -3.31 132.00 128.54 3hqp h PRO 228 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 3hqp h PRO 228 Cb 0.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.14 3hqp h PRO 228 CO 0.00 0.00 -0.37 0.87 -0.23 0.00 0.00 178.00 178.27 3hqp h LYS 229 N 0.00 0.00 -1.98 0.86 1.79 -2.00 -3.32 116.57 111.92 3hqp h LYS 229 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 3hqp h LYS 229 Cb 0.83 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.07 3hqp h LYS 229 CO 0.00 0.37 -0.92 0.41 -1.08 0.00 0.00 179.45 178.23 3hqp n GLY 230 N 0.46 4.48 0.14 3.86 0.00 -1.24 -4.87 105.19 108.02 3hqp n GLY 230 Ca 0.00 -2.21 0.06 0.00 0.00 0.00 0.00 46.02 43.87 3hqp n GLY 230 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hqp h ARG 231 N 2.95 0.00 0.00 1.61 0.11 -1.70 -3.33 114.38 114.02 3hqp h ARG 231 Ca 0.11 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.05 3hqp h ARG 231 Cb 0.79 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.85 3hqp h ARG 231 CO 0.67 0.23 -0.82 -0.44 0.10 0.00 0.00 179.97 179.71 3hqp h ASP 232 N 0.00 0.00 -2.41 0.08 3.32 -1.91 -3.46 116.42 112.05 3hqp h ASP 232 Ca -0.04 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.48 3hqp h ASP 232 Cb 1.26 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.84 3hqp h ASP 232 CO 0.03 0.60 1.15 -0.38 -1.72 0.00 0.00 179.24 178.92 3hqp n ILE 233 N -3.16 0.52 -2.33 0.35 5.41 -1.25 -4.95 119.36 113.95 3hqp n ILE 233 Ca -0.01 -0.09 -0.35 0.00 1.00 0.00 0.00 62.75 63.29 3hqp n ILE 233 Cb 0.80 -2.17 -0.01 0.00 -0.71 0.00 0.00 39.64 37.54 3hqp n ILE 233 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 3hqp s MET 234 N 3.41 3.58 -0.26 0.38 -1.94 -0.92 -4.86 119.30 118.70 3hqp s MET 234 Ca 0.85 1.60 -0.02 0.00 -1.71 0.00 0.00 55.69 56.41 3hqp s MET 234 Cb -0.48 -2.15 0.03 0.00 2.01 0.00 0.00 34.83 34.24 3hqp s MET 234 CO 0.40 -0.66 -0.04 0.42 -0.01 0.00 0.00 175.02 175.14 3hqp s ILE 235 N -1.75 2.97 -0.30 2.53 1.01 -1.26 0.06 121.20 124.47 3hqp s ILE 235 Ca 0.69 -1.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.15 3hqp s ILE 235 Cb -0.24 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 3hqp s ILE 235 CO 0.28 0.11 0.14 -0.63 0.00 0.00 0.00 174.94 174.83 3hqp s ILE 236 N 1.32 4.52 -0.31 2.92 -1.09 0.13 0.19 121.20 128.88 3hqp s ILE 236 Ca -0.01 -0.41 -0.20 0.00 -2.23 0.00 0.00 60.65 57.80 3hqp s ILE 236 Cb -0.17 -3.28 -0.01 0.00 -1.58 0.00 0.00 42.46 37.41 3hqp s ILE 236 CO -0.03 0.10 0.60 0.00 -1.23 0.00 0.00 174.94 174.39 3hqp s LYS 238 N 2.57 4.06 -0.36 0.00 1.02 -0.22 -1.88 119.74 124.93 3hqp s LYS 238 Ca 0.24 0.83 -0.18 0.00 0.02 0.00 0.00 55.97 56.87 3hqp s LYS 238 Cb -0.15 -3.70 -0.00 0.00 -0.52 0.00 0.00 37.83 33.46 3hqp s LYS 238 CO 0.12 -0.68 0.52 0.42 -0.92 0.00 0.00 175.35 174.81 3hqp s ILE 239 N 3.08 5.00 0.00 2.17 -1.09 -0.52 -2.70 121.20 127.15 3hqp s ILE 239 Ca 0.36 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 3hqp s ILE 239 Cb -0.14 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 3hqp s ILE 239 CO 0.11 -0.25 0.83 -1.84 -1.23 0.00 0.00 174.94 172.56 3hqp n GLU 240 N 5.78 0.00 -4.01 2.79 0.28 -1.26 -2.30 120.64 121.92 3hqp n GLU 240 Ca -0.05 -0.66 -0.09 0.00 -0.16 0.00 0.00 57.16 56.20 3hqp n GLU 240 Cb 0.49 -0.33 -0.08 0.00 1.43 0.00 0.00 31.44 32.95 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 -0.65 0.12 0.18 -1.84 4.22 -1.26 -3.46 114.94 112.25 3hqp s ASN 241 Ca 0.00 -0.95 -0.14 0.00 -2.14 0.00 0.00 52.86 49.63 3hqp s ASN 241 Cb 0.00 0.39 0.15 0.00 1.28 0.00 0.00 41.25 43.07 3hqp s ASN 241 CO 0.00 -0.84 1.73 -0.74 -2.04 0.00 0.00 177.10 175.21 3hqp h HIS 242 N 2.65 0.21 -0.36 1.54 -0.00 -1.95 -2.35 115.15 114.89 3hqp h HIS 242 Ca -0.33 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 59.93 3hqp h HIS 242 Cb 1.22 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.59 3hqp h HIS 242 CO 0.41 0.05 -0.34 1.96 -0.00 0.00 0.00 177.93 180.01 3hqp h GLN 243 N 0.27 0.80 -0.68 5.26 4.20 -1.94 -1.65 115.11 121.38 3hqp h GLN 243 Ca 0.22 -0.39 0.06 0.00 0.06 0.00 0.00 58.65 58.60 3hqp h GLN 243 Cb 0.26 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 3hqp h GLN 243 CO -0.26 1.02 0.45 0.78 -0.67 0.00 0.00 178.83 180.15 3hqp h GLY 244 N 0.91 0.88 0.71 3.46 0.00 -1.60 -0.01 103.07 107.43 3hqp h GLY 244 Ca 0.07 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 3hqp h GLY 244 CO 0.08 0.22 -0.39 -2.08 0.00 0.00 0.00 176.54 174.37 3hqp h VAL 245 N 0.72 1.43 -0.40 4.60 2.07 -1.33 -3.29 116.25 120.04 3hqp h VAL 245 Ca 0.29 -1.82 0.06 0.00 0.82 0.00 0.00 66.70 66.04 3hqp h VAL 245 Cb 0.22 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 3hqp h VAL 245 CO -0.09 0.53 0.27 -0.61 0.02 0.00 0.00 177.57 177.69 3hqp h GLN 246 N -0.13 0.29 -0.65 1.57 4.15 -0.38 -2.79 115.11 117.15 3hqp h GLN 246 Ca -0.03 -0.02 -0.43 0.00 0.77 0.00 0.00 58.65 58.94 3hqp h GLN 246 Cb 1.06 -0.07 -0.27 0.00 0.21 0.00 0.00 27.48 28.42 3hqp h GLN 246 CO 0.08 0.19 -0.10 0.09 -1.93 0.00 0.00 178.83 177.17 3hqp n ASN 247 N -4.48 4.52 0.18 -0.69 3.02 -0.10 -4.76 115.26 112.95 3hqp n ASN 247 Ca 0.05 -3.78 0.02 0.00 -0.03 0.00 0.00 54.58 50.85 3hqp n ASN 247 Cb 0.25 -0.62 0.32 0.00 -0.61 0.00 0.00 39.78 39.13 3hqp n ASN 247 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3hqp h ILE 248 N 1.40 1.24 -0.11 2.41 6.09 -1.56 -3.05 117.51 123.94 3hqp h ILE 248 Ca 0.37 -1.49 -0.06 0.00 -1.37 0.00 0.00 64.86 62.32 3hqp h ILE 248 Cb 1.47 1.82 -0.03 0.00 0.47 0.00 0.00 36.82 40.54 3hqp h ILE 248 CO 0.81 0.42 0.08 0.47 -3.07 0.00 0.00 178.15 176.86 3hqp n ASP 249 N -3.94 3.81 0.00 2.19 8.00 -1.26 -3.12 116.55 122.24 3hqp n ASP 249 Ca -0.02 -2.28 0.00 0.00 0.71 0.00 0.00 54.79 53.20 3hqp n ASP 249 Cb 0.46 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 3hqp n ASP 249 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hqp n SER 250 N 0.59 0.00 0.04 -2.24 3.41 -1.16 -4.91 113.62 109.36 3hqp n SER 250 Ca 0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.47 3hqp n SER 250 Cb 0.59 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.44 3hqp n SER 250 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3hqp h ILE 251 N 0.00 1.28 -0.12 -1.33 2.04 -1.48 -3.24 117.51 114.66 3hqp h ILE 251 Ca 0.00 -2.26 -0.07 0.00 1.00 0.00 0.00 64.86 63.53 3hqp h ILE 251 Cb 0.00 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 3hqp h ILE 251 CO 0.00 0.70 -0.25 0.40 0.00 0.00 0.00 178.15 178.99 3hqp h ILE 252 N 0.38 1.23 -0.59 -0.67 2.04 -1.86 -1.15 117.51 116.89 3hqp h ILE 252 Ca -0.13 -1.09 0.07 0.00 1.00 0.00 0.00 64.86 64.70 3hqp h ILE 252 Cb 1.71 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 39.16 3hqp h ILE 252 CO 0.21 0.33 0.28 -0.08 0.00 0.00 0.00 178.15 178.88 3hqp h GLU 253 N 0.19 0.50 0.02 2.37 4.57 -1.84 -3.21 114.58 117.17 3hqp h GLU 253 Ca 0.03 -0.03 -0.27 0.00 -1.18 0.00 0.00 59.36 57.92 3hqp h GLU 253 Cb 0.56 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 3hqp h GLU 253 CO 0.04 0.33 -1.44 0.93 -1.18 0.00 0.00 179.01 177.69 3hqp h GLU 254 N 0.51 0.03 -7.44 1.92 4.39 -1.48 -3.48 114.58 109.04 3hqp h GLU 254 Ca 0.28 -0.06 -0.48 0.00 0.34 0.00 0.00 59.36 59.44 3hqp h GLU 254 Cb 0.25 0.02 0.08 0.00 -0.10 0.00 0.00 28.75 29.00 3hqp h GLU 254 CO -0.22 0.76 0.36 -1.54 -1.16 0.00 0.00 179.01 177.21 3hqp s SER 255 N -6.43 5.17 0.00 1.42 1.04 -0.47 -4.98 113.70 109.44 3hqp s SER 255 Ca -0.03 0.92 0.23 0.00 0.48 0.00 0.00 55.95 57.54 3hqp s SER 255 Cb 0.09 -1.65 0.49 0.00 0.10 0.00 0.00 66.02 65.04 3hqp s SER 255 CO 0.83 -1.46 1.44 0.47 0.98 0.00 0.00 173.24 175.49 3hqp n ASP 256 N -3.01 3.39 0.00 7.02 10.43 0.13 -4.92 116.55 129.59 3hqp n ASP 256 Ca 0.07 -1.98 0.00 0.00 2.57 0.00 0.00 54.79 55.45 3hqp n ASP 256 Cb 0.58 -0.28 0.00 0.00 1.84 0.00 0.00 41.12 43.27 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 1.50 2.13 3.36 0.44 0.00 -1.18 -4.11 105.19 107.33 3hqp n GLY 257 Ca 0.20 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 2.17 -0.09 -0.61 -1.09 -0.97 -0.84 121.20 117.77 3hqp s ILE 258 Ca 0.00 -1.60 0.04 0.00 -2.23 0.00 0.00 60.65 56.86 3hqp s ILE 258 Cb 0.00 -1.90 -0.01 0.00 -1.58 0.00 0.00 42.46 38.98 3hqp s ILE 258 CO 0.00 0.18 -0.22 -0.32 -1.23 0.00 0.00 174.94 173.35 3hqp s MET 259 N -1.73 2.93 -0.82 2.79 -2.45 -0.79 -0.87 119.30 118.36 3hqp s MET 259 Ca 0.13 -0.85 -0.21 0.00 -1.25 0.00 0.00 55.69 53.50 3hqp s MET 259 Cb -0.10 -2.31 0.09 0.00 1.25 0.00 0.00 34.83 33.76 3hqp s MET 259 CO 0.04 0.26 1.09 0.08 1.05 0.00 0.00 175.02 177.55 3hqp s VAL 260 N 0.15 4.44 -1.25 10.11 1.01 0.41 -1.44 120.40 133.83 3hqp s VAL 260 Ca -0.12 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 3hqp s VAL 260 Cb -0.16 -4.77 0.14 0.00 0.00 0.00 0.00 36.38 31.59 3hqp s VAL 260 CO 0.07 -1.54 1.59 0.00 0.00 0.00 0.00 175.10 175.22 3hqp n ALA 261 N 7.36 4.06 0.25 5.51 0.00 -0.97 -2.53 120.51 134.19 3hqp n ALA 261 Ca 0.12 -4.16 0.10 0.00 0.00 0.00 0.00 53.44 49.50 3hqp n ALA 261 Cb 0.48 -3.18 0.66 0.00 0.00 0.00 0.00 19.45 17.41 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 7.00 0.00 0.06 0.00 3.08 -1.83 -2.16 114.38 120.53 3hqp h ARG 262 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3hqp h ARG 262 Cb 0.83 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 3hqp h ARG 262 CO 1.36 0.11 -0.22 0.78 -1.07 0.00 0.00 179.97 180.94 3hqp h GLY 263 N 0.48 -1.19 1.33 0.04 0.00 -1.87 0.18 103.07 102.05 3hqp h GLY 263 Ca -0.00 0.57 -0.25 0.00 0.00 0.00 0.00 47.33 47.65 3hqp h GLY 263 CO 0.01 -0.38 -0.98 -0.55 0.00 0.00 0.00 176.54 174.64 3hqp h ASP 264 N -0.32 0.78 -0.79 0.19 3.32 -1.86 -3.28 116.42 114.46 3hqp h ASP 264 Ca -0.00 -0.61 0.10 0.00 0.02 0.00 0.00 57.03 56.54 3hqp h ASP 264 Cb 0.32 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 3hqp h ASP 264 CO -0.12 1.41 0.52 0.25 -1.72 0.00 0.00 179.24 179.58 3hqp h LEU 265 N 0.35 0.65 -0.42 1.55 6.46 -1.37 -0.75 115.31 121.77 3hqp h LEU 265 Ca -0.10 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 3hqp h LEU 265 Cb 1.62 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.43 3hqp h LEU 265 CO 0.19 0.38 0.00 0.61 -0.62 0.00 0.00 178.44 179.00 3hqp n GLY 266 N -1.45 -0.94 0.09 3.75 0.00 0.64 -1.07 105.19 106.21 3hqp n GLY 266 Ca 0.13 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.82 1.03 -0.13 1.61 0.31 -0.34 -3.70 118.33 115.29 3hqp n VAL 267 Ca 0.02 -0.43 -0.12 0.00 -0.01 0.00 0.00 64.34 63.79 3hqp n VAL 267 Cb 0.13 -1.06 -0.02 0.00 -0.91 0.00 0.00 33.84 31.98 3hqp n VAL 267 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3hqp h GLU 268 N 0.00 0.83 -6.20 5.55 4.57 -1.38 -3.44 114.58 114.51 3hqp h GLU 268 Ca -0.40 -0.36 -0.67 0.00 -1.18 0.00 0.00 59.36 56.74 3hqp h GLU 268 Cb 1.67 -0.02 -0.16 0.00 -0.16 0.00 0.00 28.75 30.08 3hqp h GLU 268 CO -0.05 1.00 -0.67 0.42 -1.18 0.00 0.00 179.01 178.52 3hqp s ILE 269 N -4.62 3.89 0.14 2.32 1.09 -0.23 -4.79 121.20 118.99 3hqp s ILE 269 Ca -0.12 -0.63 -0.35 0.00 -1.10 0.00 0.00 60.65 58.45 3hqp s ILE 269 Cb 0.10 -2.69 -0.15 0.00 -1.06 0.00 0.00 42.46 38.67 3hqp s ILE 269 CO 0.84 0.43 1.46 -2.65 -0.10 0.00 0.00 174.94 174.92 3hqp n PRO 270 N 1.64 1.72 -0.33 2.79 -0.02 -1.26 -4.37 135.00 135.16 3hqp n PRO 270 Ca -0.16 0.62 0.25 0.00 -2.02 0.00 0.00 63.50 62.19 3hqp n PRO 270 Cb 0.53 -2.32 0.48 0.00 -0.02 0.00 0.00 33.50 32.16 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 5.19 1.82 0.00 3.55 0.00 -1.90 0.45 119.26 128.37 3hqp h ALA 271 Ca -0.46 0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3hqp h ALA 271 Cb 1.29 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3hqp h ALA 271 CO 0.83 -0.79 -0.23 1.05 0.00 0.00 0.00 179.25 180.11 3hqp h GLU 272 N 0.04 0.00 0.00 0.00 9.09 -1.92 -2.72 114.58 119.07 3hqp h GLU 272 Ca 0.75 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.16 3hqp h GLU 272 Cb 1.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.95 3hqp h GLU 272 CO -0.80 0.23 0.00 0.87 0.05 0.00 0.00 179.01 179.36 3hqp h LYS 273 N 0.00 0.00 -0.83 1.06 1.79 -1.25 -3.25 116.57 114.10 3hqp h LYS 273 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3hqp h LYS 273 Cb 0.77 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.38 3hqp h LYS 273 CO 0.03 0.00 0.43 0.28 -1.08 0.00 0.00 179.45 179.11 3hqp h VAL 274 N 0.00 1.25 -0.83 0.50 2.07 -1.56 -1.71 116.25 115.97 3hqp h VAL 274 Ca 0.00 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 66.94 3hqp h VAL 274 Cb 0.56 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 3hqp h VAL 274 CO 0.00 0.28 0.50 0.58 0.02 0.00 0.00 177.57 178.96 3hqp h VAL 275 N 1.16 1.02 -0.00 2.57 2.07 -1.76 0.25 116.25 121.57 3hqp h VAL 275 Ca 0.29 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3hqp h VAL 275 Cb 0.06 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 3hqp h VAL 275 CO -0.04 0.17 -0.00 0.58 0.02 0.00 0.00 177.57 178.29 3hqp h VAL 276 N 0.92 1.43 -0.60 2.57 2.07 -1.63 -2.57 116.25 118.43 3hqp h VAL 276 Ca 0.36 -1.25 0.10 0.00 0.82 0.00 0.00 66.70 66.73 3hqp h VAL 276 Cb 0.18 2.28 -0.07 0.00 -1.52 0.00 0.00 31.29 32.15 3hqp h VAL 276 CO -0.18 0.33 0.20 0.00 0.02 0.00 0.00 177.57 177.94 3hqp h ALA 277 N 0.47 0.76 -0.49 1.67 0.00 -1.20 -1.44 119.26 119.04 3hqp h ALA 277 Ca 0.00 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3hqp h ALA 277 Cb 0.53 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 3hqp h ALA 277 CO 0.00 -0.22 -0.03 0.37 0.00 0.00 0.00 179.25 179.37 3hqp h GLN 278 N 0.37 0.08 -0.41 0.00 4.15 -0.90 -0.47 115.11 117.93 3hqp h GLN 278 Ca 0.31 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.76 3hqp h GLN 278 Cb 0.40 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.03 3hqp h GLN 278 CO -0.33 0.06 0.20 0.87 -1.93 0.00 0.00 178.83 177.70 3hqp h LYS 279 N 0.09 0.39 0.01 1.69 1.57 -0.88 -2.62 116.57 116.81 3hqp h LYS 279 Ca 0.24 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3hqp h LYS 279 Cb 0.37 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3hqp h LYS 279 CO -0.43 0.26 -0.01 0.82 -0.57 0.00 0.00 179.45 179.52 3hqp h ILE 280 N 0.40 1.26 -0.23 1.86 2.04 -0.54 -2.36 117.51 119.93 3hqp h ILE 280 Ca 0.18 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.25 3hqp h ILE 280 Cb 0.10 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3hqp h ILE 280 CO -0.13 0.21 0.10 -0.07 0.00 0.00 0.00 178.15 178.25 3hqp h LEU 281 N -0.36 0.13 -0.50 1.44 3.38 -1.13 -0.86 115.31 117.42 3hqp h LEU 281 Ca -0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hqp h LEU 281 Cb 0.35 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3hqp h LEU 281 CO 0.00 0.11 0.19 0.40 0.09 0.00 0.00 178.44 179.23 3hqp h ILE 282 N 0.22 1.22 0.13 1.22 2.04 -1.50 -0.39 117.51 120.44 3hqp h ILE 282 Ca 0.10 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 3hqp h ILE 282 Cb 0.04 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3hqp h ILE 282 CO -0.08 0.26 -0.06 0.28 0.00 0.00 0.00 178.15 178.54 3hqp h SER 283 N 0.66 -0.14 -0.79 1.72 0.02 -1.26 0.16 113.55 113.93 3hqp h SER 283 Ca 0.16 -0.12 0.13 0.00 -0.84 0.00 0.00 61.79 61.13 3hqp h SER 283 Cb 0.22 0.04 -0.09 0.00 0.14 0.00 0.00 62.40 62.70 3hqp h SER 283 CO -0.01 0.03 0.38 0.11 -1.14 0.00 0.00 176.83 176.19 3hqp h LYS 284 N -0.31 0.56 -0.64 3.45 1.57 -1.04 -0.69 116.57 119.46 3hqp h LYS 284 Ca -0.02 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3hqp h LYS 284 Cb 0.25 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3hqp h LYS 284 CO 0.03 0.37 0.14 0.00 -0.57 0.00 0.00 179.45 179.41 3hqp h ASN 286 N 0.95 0.68 -0.13 0.00 -0.26 0.48 0.79 115.58 118.10 3hqp h ASN 286 Ca 0.20 -0.04 -0.21 0.00 -0.56 0.00 0.00 56.30 55.70 3hqp h ASN 286 Cb 0.39 -0.17 0.01 0.00 -1.06 0.00 0.00 38.32 37.48 3hqp h ASN 286 CO 0.01 0.53 -0.72 0.58 -1.06 0.00 0.00 177.43 176.76 3hqp h VAL 287 N 0.79 1.30 0.00 2.81 2.07 -0.96 -3.18 116.25 119.08 3hqp h VAL 287 Ca 0.21 -1.95 -0.04 0.00 0.82 0.00 0.00 66.70 65.74 3hqp h VAL 287 Cb -0.03 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3hqp h VAL 287 CO -0.04 0.61 -0.19 0.00 0.02 0.00 0.00 177.57 177.97 3hqp h ALA 288 N 0.52 0.97 0.00 1.67 0.00 -0.99 -3.48 119.26 117.94 3hqp h ALA 288 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hqp h ALA 288 Cb 1.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3hqp h ALA 288 CO 0.15 0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.05 3hqp n GLY 289 N 0.41 0.50 3.48 0.00 0.00 0.20 -5.06 105.19 104.72 3hqp n GLY 289 Ca 0.01 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 3hqp n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqp s LYS 290 N -3.73 3.01 0.21 1.61 1.02 -0.78 -4.86 119.74 116.22 3hqp s LYS 290 Ca 0.00 -0.62 -0.32 0.00 0.02 0.00 0.00 55.97 55.05 3hqp s LYS 290 Cb 0.00 -2.60 -0.14 0.00 -0.52 0.00 0.00 37.83 34.58 3hqp s LYS 290 CO 0.00 0.46 1.44 -2.30 -0.92 0.00 0.00 175.35 174.02 3hqp n PRO 291 N 2.83 2.00 -4.98 -1.68 -0.02 -1.26 -4.48 135.00 127.41 3hqp n PRO 291 Ca -0.18 0.71 -0.27 0.00 -2.02 0.00 0.00 63.50 61.75 3hqp n PRO 291 Cb 0.53 -2.39 -0.15 0.00 -0.02 0.00 0.00 33.50 31.46 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 0.19 1.66 -0.05 -1.45 0.11 -1.26 -2.29 120.40 117.31 3hqp s VAL 292 Ca 0.71 -0.94 0.06 0.00 -2.93 0.00 0.00 61.98 58.88 3hqp s VAL 292 Cb -0.67 -1.39 -0.02 0.00 -1.53 0.00 0.00 36.38 32.77 3hqp s VAL 292 CO 0.47 0.44 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.81 3hqp s ILE 293 N -0.53 2.26 -0.21 7.04 1.01 -0.05 -1.98 121.20 128.73 3hqp s ILE 293 Ca 0.08 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 3hqp s ILE 293 Cb -0.08 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 3hqp s ILE 293 CO -0.00 0.57 0.05 0.00 0.00 0.00 0.00 174.94 175.56 3hqp s ALA 295 N 0.97 2.40 0.10 0.00 0.00 -1.05 -1.22 121.76 122.96 3hqp s ALA 295 Ca 0.03 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.11 3hqp s ALA 295 Cb -0.14 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.06 3hqp s ALA 295 CO 0.03 -0.01 0.00 2.41 0.00 0.00 0.00 175.76 178.19 3hqp n THR 296 N -0.58 -6.85 -2.18 0.00 -1.04 -1.26 -4.05 114.28 98.31 3hqp n THR 296 Ca -0.06 1.53 -0.17 0.00 -2.04 0.00 0.00 64.05 63.32 3hqp n THR 296 Cb 0.63 -3.46 -0.02 0.00 -1.82 0.00 0.00 70.33 65.66 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 0.77 -1.32 -0.03 -2.82 6.02 -1.26 -4.81 117.38 113.92 3hqp n GLN 297 Ca 0.00 0.87 -0.17 0.00 -0.01 0.00 0.00 57.00 57.69 3hqp n GLN 297 Cb 0.00 -5.27 -0.07 0.00 1.02 0.00 0.00 30.24 25.92 3hqp n GLN 297 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3hqp h MET 298 N 0.00 0.78 -0.45 -1.09 2.86 -1.86 -3.34 114.93 111.83 3hqp h MET 298 Ca -0.39 -0.62 -0.32 0.00 -2.06 0.00 0.00 59.70 56.31 3hqp h MET 298 Cb 1.26 0.12 -0.38 0.00 0.06 0.00 0.00 31.60 32.67 3hqp h MET 298 CO 0.48 1.23 -0.96 1.28 1.06 0.00 0.00 176.91 180.00 3hqp n LEU 299 N -3.98 2.72 -0.29 1.22 4.77 -1.26 -4.50 117.00 115.68 3hqp n LEU 299 Ca -0.07 -3.56 0.08 0.00 -0.03 0.00 0.00 56.01 52.44 3hqp n LEU 299 Cb 0.72 0.07 0.21 0.00 -2.33 0.00 0.00 43.42 42.08 3hqp n LEU 299 CO 0.52 1.36 0.83 -0.08 -1.33 0.00 0.00 177.39 178.69 3hqp h GLU 300 N 2.15 0.09 0.00 3.23 4.57 -1.97 -0.05 114.58 122.60 3hqp h GLU 300 Ca 0.03 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3hqp h GLU 300 Cb 1.41 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.98 3hqp h GLU 300 CO 0.35 0.06 -0.01 0.66 -1.18 0.00 0.00 179.01 178.89 3hqp h SER 301 N 0.09 0.00 0.04 1.04 4.64 -1.93 -2.42 113.55 115.00 3hqp h SER 301 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3hqp h SER 301 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3hqp h SER 301 CO -0.74 0.01 0.00 0.23 -0.87 0.00 0.00 176.83 175.46 3hqp n MET 302 N -3.12 0.63 0.25 4.77 2.81 -0.03 -1.39 117.12 121.03 3hqp n MET 302 Ca -0.01 0.01 0.13 0.00 -1.81 0.00 0.00 57.70 56.02 3hqp n MET 302 Cb 0.22 -1.50 0.60 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 0.00 0.39 0.00 2.03 2.02 -1.59 -3.33 112.91 112.42 3hqp h THR 303 Ca 0.00 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 3hqp h THR 303 Cb 0.02 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3hqp h THR 303 CO 0.00 0.13 -1.04 -1.22 0.37 0.00 0.00 175.52 173.76 3hqp n TYR 304 N -3.35 0.00 -4.66 3.16 4.02 -0.48 -1.68 117.16 114.16 3hqp n TYR 304 Ca -0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.60 3hqp n TYR 304 Cb 0.34 -0.02 -0.14 0.00 -0.02 0.00 0.00 39.34 39.50 3hqp n TYR 304 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3hqp s ASN 305 N -2.57 3.01 0.33 7.72 -0.87 -0.51 -4.98 114.94 117.07 3hqp s ASN 305 Ca -0.00 -0.63 0.26 0.00 -1.57 0.00 0.00 52.86 50.92 3hqp s ASN 305 Cb 0.00 -0.24 1.13 0.00 -0.02 0.00 0.00 41.25 42.13 3hqp s ASN 305 CO 0.03 0.20 1.78 1.55 -2.57 0.00 0.00 177.10 178.08 3hqp h PRO 306 N 4.51 0.00 -4.33 -0.60 0.13 -1.89 -3.38 132.00 126.43 3hqp h PRO 306 Ca -0.47 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.40 3hqp h PRO 306 Cb 1.16 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.05 3hqp h PRO 306 CO 0.42 0.00 -0.73 1.03 -0.23 0.00 0.00 178.00 178.49 3hqp s ARG 307 N -3.44 0.42 0.77 0.86 0.52 -1.26 -4.89 118.95 111.93 3hqp s ARG 307 Ca 0.02 -0.52 -0.05 0.00 -0.52 0.00 0.00 55.73 54.66 3hqp s ARG 307 Cb 0.09 -0.23 0.13 0.00 0.52 0.00 0.00 34.95 35.46 3hqp s ARG 307 CO 0.39 0.05 1.07 -1.25 0.02 0.00 0.00 175.30 175.58 3hqp s PRO 308 N -1.05 1.50 0.65 3.54 0.04 -1.26 -4.68 135.00 133.74 3hqp s PRO 308 Ca -0.07 -0.81 -0.04 0.00 0.04 0.00 0.00 61.00 60.11 3hqp s PRO 308 Cb -0.07 -2.19 0.05 0.00 0.04 0.00 0.00 34.50 32.32 3hqp s PRO 308 CO -0.00 -1.64 0.94 0.95 0.04 0.00 0.00 177.00 177.28 3hqp s THR 309 N -3.33 2.56 0.30 1.26 -4.23 -1.26 -4.97 115.64 105.97 3hqp s THR 309 Ca 0.67 -0.34 0.05 0.00 -1.18 0.00 0.00 61.69 60.89 3hqp s THR 309 Cb -0.06 -3.06 0.07 0.00 1.34 0.00 0.00 72.50 70.80 3hqp s THR 309 CO 0.46 -0.06 1.75 0.03 -0.54 0.00 0.00 174.62 176.26 3hqp h ARG 310 N -0.37 0.36 -0.32 3.99 2.47 -1.99 -2.34 114.38 116.18 3hqp h ARG 310 Ca -0.44 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 58.13 3hqp h ARG 310 Cb 1.30 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.59 3hqp h ARG 310 CO 0.58 0.61 0.13 0.00 0.56 0.00 0.00 179.97 181.86 3hqp h ALA 311 N 1.39 0.42 -0.26 0.04 0.00 -1.98 -1.55 119.26 117.31 3hqp h ALA 311 Ca 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hqp h ALA 311 Cb 0.67 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3hqp h ALA 311 CO 0.05 0.01 0.16 0.93 0.00 0.00 0.00 179.25 180.40 3hqp h GLU 312 N 0.37 0.36 -0.14 0.00 5.08 -1.72 0.18 114.58 118.70 3hqp h GLU 312 Ca 0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3hqp h GLU 312 Cb 0.18 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3hqp h GLU 312 CO -0.01 0.29 0.09 0.28 -1.00 0.00 0.00 179.01 178.66 3hqp h VAL 313 N 0.33 1.03 -0.75 3.13 2.07 -1.43 -1.85 116.25 118.77 3hqp h VAL 313 Ca 0.09 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.63 3hqp h VAL 313 Cb 0.02 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 3hqp h VAL 313 CO -0.02 0.03 0.42 -1.28 0.02 0.00 0.00 177.57 176.74 3hqp h SER 314 N 0.19 0.59 -0.58 0.57 0.87 -1.06 -2.51 113.55 111.62 3hqp h SER 314 Ca 0.05 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3hqp h SER 314 Cb -0.02 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 3hqp h SER 314 CO -0.02 0.35 0.18 -0.78 -0.53 0.00 0.00 176.83 176.03 3hqp h ASP 315 N 0.72 0.85 -0.23 6.23 3.58 -0.20 -1.60 116.42 125.77 3hqp h ASP 315 Ca 0.36 -0.21 -0.05 0.00 0.42 0.00 0.00 57.03 57.54 3hqp h ASP 315 Cb 0.31 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 3hqp h ASP 315 CO -0.23 0.83 -0.07 0.58 -2.88 0.00 0.00 179.24 177.48 3hqp h VAL 316 N 0.82 1.29 -0.67 2.25 2.07 -1.20 -2.60 116.25 118.20 3hqp h VAL 316 Ca 0.19 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 3hqp h VAL 316 Cb 0.29 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3hqp h VAL 316 CO -0.01 0.33 0.27 0.00 0.02 0.00 0.00 177.57 178.18 3hqp h ALA 317 N 0.75 1.20 0.00 1.67 0.00 -1.39 -2.86 119.26 118.63 3hqp h ALA 317 Ca 0.06 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3hqp h ALA 317 Cb 0.53 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hqp h ALA 317 CO 0.02 0.58 -0.40 -0.91 0.00 0.00 0.00 179.25 178.55 3hqp h ASN 318 N 0.97 0.00 -0.47 0.00 2.35 -1.22 0.05 115.58 117.26 3hqp h ASN 318 Ca 0.23 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.88 3hqp h ASN 318 Cb 0.19 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3hqp h ASN 318 CO -0.02 0.40 -0.08 0.00 -1.65 0.00 0.00 177.43 176.08 3hqp h ALA 319 N 1.60 0.64 -0.66 -0.83 0.00 -1.25 0.13 119.26 118.89 3hqp h ALA 319 Ca -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3hqp h ALA 319 Cb 0.85 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3hqp h ALA 319 CO 0.05 0.51 0.20 0.28 0.00 0.00 0.00 179.25 180.29 3hqp h VAL 320 N 0.73 1.25 -0.01 0.00 2.07 -1.26 -1.93 116.25 117.10 3hqp h VAL 320 Ca 0.12 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 3hqp h VAL 320 Cb 0.62 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3hqp h VAL 320 CO 0.04 0.34 -0.27 -0.26 0.02 0.00 0.00 177.57 177.44 3hqp h PHE 321 N 0.97 0.01 0.00 1.57 0.04 -0.83 -2.08 116.94 116.62 3hqp h PHE 321 Ca 0.21 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.90 3hqp h PHE 321 Cb 0.31 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 3hqp h PHE 321 CO 0.02 0.28 -0.37 -0.91 -0.60 0.00 0.00 178.31 176.73 3hqp h ASN 322 N 0.01 0.00 0.00 2.17 -0.26 -0.57 -3.47 115.58 113.46 3hqp h ASN 322 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3hqp h ASN 322 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 3hqp h ASN 322 CO 0.04 0.37 0.00 0.61 -1.06 0.00 0.00 177.43 177.38 3hqp n GLY 323 N -0.13 1.68 3.77 2.83 0.00 -0.78 -4.55 105.19 108.01 3hqp n GLY 323 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3hqp n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqp s ALA 324 N -2.00 3.30 -0.01 4.61 0.00 -0.76 -4.86 121.76 122.03 3hqp s ALA 324 Ca 0.00 1.04 -0.20 0.00 0.00 0.00 0.00 51.96 52.80 3hqp s ALA 324 Cb 0.00 -3.40 -0.29 0.00 0.00 0.00 0.00 23.12 19.43 3hqp s ALA 324 CO 0.00 -0.49 0.98 -0.44 0.00 0.00 0.00 175.76 175.82 3hqp h ASP 325 N 3.08 0.57 -3.80 0.00 5.19 -1.71 -3.44 116.42 116.33 3hqp h ASP 325 Ca -0.48 -0.88 -0.58 0.00 -0.62 0.00 0.00 57.03 54.46 3hqp h ASP 325 Cb 1.23 -0.18 -0.20 0.00 0.18 0.00 0.00 39.33 40.35 3hqp h ASP 325 CO 0.64 1.40 -0.82 0.00 -3.12 0.00 0.00 179.24 177.35 3hqp s VAL 327 N -1.51 1.43 0.16 0.00 -7.23 -0.72 -2.36 120.40 110.17 3hqp s VAL 327 Ca 0.13 -0.72 0.07 0.00 -1.81 0.00 0.00 61.98 59.64 3hqp s VAL 327 Cb -0.08 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 3hqp s VAL 327 CO 0.06 0.41 0.03 -0.32 -0.31 0.00 0.00 175.10 174.97 3hqp s MET 328 N 0.01 2.53 -0.20 4.82 1.75 -0.36 -1.82 119.30 126.02 3hqp s MET 328 Ca -0.03 -1.03 -0.00 0.00 -1.25 0.00 0.00 55.69 53.38 3hqp s MET 328 Cb -0.11 -2.44 0.05 0.00 2.84 0.00 0.00 34.83 35.17 3hqp s MET 328 CO 0.02 0.47 -0.05 -0.51 -0.65 0.00 0.00 175.02 174.30 3hqp s LEU 329 N -2.91 2.08 0.00 4.11 1.43 -0.58 -4.44 118.68 118.36 3hqp s LEU 329 Ca 0.28 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 3hqp s LEU 329 Cb -0.10 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.09 3hqp s LEU 329 CO 0.20 -0.22 0.00 -1.20 0.23 0.00 0.00 176.35 175.36 3hqp n SER 330 N 4.78 0.00 0.17 2.29 7.64 -1.26 -1.82 113.62 125.42 3hqp n SER 330 Ca -0.12 0.00 0.18 0.00 1.01 0.00 0.00 58.87 59.95 3hqp n SER 330 Cb 0.46 0.00 0.80 0.00 -1.01 0.00 0.00 64.21 64.46 3hqp n SER 330 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hqp h GLY 331 N 0.00 0.00 1.15 0.23 0.00 -1.98 -2.48 103.07 99.99 3hqp h GLY 331 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 3hqp h GLY 331 CO 0.00 0.00 0.44 0.83 0.00 0.00 0.00 176.54 177.81 3hqp h GLU 332 N 0.00 0.71 0.00 4.80 3.07 -1.89 -2.39 114.58 118.88 3hqp h GLU 332 Ca 0.12 -0.04 -0.29 0.00 -0.50 0.00 0.00 59.36 58.65 3hqp h GLU 332 Cb 0.76 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.45 3hqp h GLU 332 CO -0.00 0.47 -2.09 0.25 -1.40 0.00 0.00 179.01 176.24 3hqp n THR 333 N -4.47 1.09 0.19 1.13 -2.24 -1.00 -3.58 114.28 105.40 3hqp n THR 333 Ca 0.09 -0.59 -0.14 0.00 -2.27 0.00 0.00 64.05 61.15 3hqp n THR 333 Cb 0.19 -0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 67.55 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 0.51 -0.46 0.00 6.98 0.00 -1.17 -3.35 119.26 121.77 3hqp h ALA 334 Ca -0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 3hqp h ALA 334 Cb 1.87 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.80 3hqp h ALA 334 CO -0.01 -0.64 -0.53 0.36 0.00 0.00 0.00 179.25 178.43 3hqp n LYS 335 N -5.19 1.40 -1.79 0.00 2.85 -0.92 -1.43 118.16 113.08 3hqp n LYS 335 Ca -0.10 -3.13 -0.30 0.00 -1.05 0.00 0.00 58.31 53.74 3hqp n LYS 335 Cb 0.26 -1.44 0.08 0.00 -0.65 0.00 0.00 35.03 33.27 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 -3.08 1.61 -0.08 2.58 0.00 -1.11 -4.93 107.32 102.31 3hqp s GLY 336 Ca 0.37 -0.43 0.20 0.00 0.00 0.00 0.00 44.72 44.86 3hqp s GLY 336 CO -0.07 0.00 0.34 0.28 0.00 0.00 0.00 173.10 173.65 3hqp n LYS 337 N -3.26 0.69 -3.80 2.90 5.02 -0.68 -4.76 118.16 114.27 3hqp n LYS 337 Ca 0.07 -0.14 -0.28 0.00 -2.02 0.00 0.00 58.31 55.95 3hqp n LYS 337 Cb 0.58 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.98 3hqp n LYS 337 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3hqp s TYR 338 N -3.15 3.00 -0.05 2.13 2.02 -1.26 -4.99 117.35 115.06 3hqp s TYR 338 Ca -0.08 -3.09 -0.26 0.00 -0.37 0.00 0.00 57.07 53.26 3hqp s TYR 338 Cb 0.11 -2.35 -0.21 0.00 -0.40 0.00 0.00 41.96 39.11 3hqp s TYR 338 CO 0.85 -0.62 1.16 -1.35 -1.57 0.00 0.00 175.55 174.01 3hqp h PRO 339 N 5.60 -0.01 -0.09 -1.71 0.11 -1.86 -3.00 132.00 131.04 3hqp h PRO 339 Ca 0.14 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.04 3hqp h PRO 339 Cb 0.80 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.93 3hqp h PRO 339 CO 0.64 0.57 -0.77 -0.91 -0.21 0.00 0.00 178.00 177.32 3hqp h ASN 340 N -0.60 0.84 -0.60 -2.05 2.35 -1.92 -3.29 115.58 110.31 3hqp h ASN 340 Ca -0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 56.30 55.08 3hqp h ASN 340 Cb 0.59 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 3hqp h ASN 340 CO 0.00 1.38 0.39 -0.33 -1.65 0.00 0.00 177.43 177.22 3hqp h GLU 341 N 0.37 0.80 -0.52 0.81 3.07 -1.96 -0.31 114.58 116.84 3hqp h GLU 341 Ca -0.07 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.69 3hqp h GLU 341 Cb 1.42 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 29.13 3hqp h GLU 341 CO 0.16 0.54 0.15 -0.24 -1.40 0.00 0.00 179.01 178.22 3hqp h VAL 342 N 0.82 1.21 -0.07 3.13 3.04 -1.62 0.12 116.25 122.89 3hqp h VAL 342 Ca 0.22 -0.73 -0.12 0.00 -1.01 0.00 0.00 66.70 65.06 3hqp h VAL 342 Cb -0.07 0.66 0.01 0.00 -2.01 0.00 0.00 31.29 29.87 3hqp h VAL 342 CO -0.05 0.28 -0.42 0.58 -1.01 0.00 0.00 177.57 176.95 3hqp h VAL 343 N 0.76 1.41 -0.94 1.51 2.07 -1.56 -1.78 116.25 117.71 3hqp h VAL 343 Ca 0.17 -1.82 0.06 0.00 0.82 0.00 0.00 66.70 65.94 3hqp h VAL 343 Cb 0.24 2.34 -0.06 0.00 -1.52 0.00 0.00 31.29 32.29 3hqp h VAL 343 CO -0.01 0.53 0.61 1.56 0.02 0.00 0.00 177.57 180.29 3hqp h GLN 344 N -0.07 1.06 -0.17 1.57 4.20 -0.74 0.14 115.11 121.10 3hqp h GLN 344 Ca -0.03 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 3hqp h GLN 344 Cb 1.08 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 3hqp h GLN 344 CO 0.09 0.70 -0.13 1.88 -0.67 0.00 0.00 178.83 180.70 3hqp h TYR 345 N 1.09 0.46 -0.83 2.96 0.05 -0.79 -1.77 116.97 118.14 3hqp h TYR 345 Ca 0.40 -0.13 0.04 0.00 0.05 0.00 0.00 58.73 59.10 3hqp h TYR 345 Cb 0.18 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 37.77 3hqp h TYR 345 CO -0.00 0.74 0.55 1.98 -1.05 0.00 0.00 178.16 180.37 3hqp h MET 346 N 0.05 0.99 -0.39 4.88 4.05 -0.78 0.10 114.93 123.83 3hqp h MET 346 Ca 0.03 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.27 3hqp h MET 346 Cb 0.64 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 3hqp h MET 346 CO 0.03 0.66 -0.23 0.00 0.23 0.00 0.00 176.91 177.60 3hqp h ALA 347 N 1.52 0.55 -0.82 0.39 0.00 -0.73 -1.77 119.26 118.40 3hqp h ALA 347 Ca 0.34 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hqp h ALA 347 Cb 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3hqp h ALA 347 CO -0.10 0.54 0.44 -0.09 0.00 0.00 0.00 179.25 180.04 3hqp h ARG 348 N 0.65 1.14 -0.20 0.00 2.43 -0.67 -2.05 114.38 115.68 3hqp h ARG 348 Ca 0.08 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 3hqp h ARG 348 Cb 0.80 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3hqp h ARG 348 CO 0.07 0.84 -0.28 0.82 -1.51 0.00 0.00 179.97 179.91 3hqp h ILE 349 N 1.13 1.33 -0.75 1.20 2.04 -0.94 -2.79 117.51 118.74 3hqp h ILE 349 Ca 0.29 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 3hqp h ILE 349 Cb 0.04 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 3hqp h ILE 349 CO -0.05 0.46 0.42 0.00 0.00 0.00 0.00 178.15 178.98 3hqp h LEU 351 N 1.03 0.95 -0.43 0.00 6.46 -1.38 -0.94 115.31 121.01 3hqp h LEU 351 Ca 0.26 -0.09 -0.18 0.00 -0.12 0.00 0.00 57.88 57.75 3hqp h LEU 351 Cb 0.02 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.70 3hqp h LEU 351 CO -0.04 0.79 -0.69 -0.08 -0.62 0.00 0.00 178.44 177.79 3hqp h GLU 352 N 1.06 0.44 -0.55 1.25 4.57 -1.20 -2.94 114.58 117.22 3hqp h GLU 352 Ca 0.26 -0.34 -0.08 0.00 -1.18 0.00 0.00 59.36 58.02 3hqp h GLU 352 Cb 0.07 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3hqp h GLU 352 CO -0.04 0.97 0.02 0.00 -1.18 0.00 0.00 179.01 178.78 3hqp h ALA 353 N 0.94 0.74 -0.94 2.92 0.00 -0.92 -3.01 119.26 118.98 3hqp h ALA 353 Ca -0.02 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.66 3hqp h ALA 353 Cb 1.26 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3hqp h ALA 353 CO 0.12 0.55 0.61 0.37 0.00 0.00 0.00 179.25 180.90 3hqp h GLN 354 N 0.84 1.06 -0.17 0.00 4.15 -1.14 0.16 115.11 120.01 3hqp h GLN 354 Ca 0.16 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.41 3hqp h GLN 354 Cb 0.51 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3hqp h GLN 354 CO 0.02 0.70 -0.35 0.77 -1.93 0.00 0.00 178.83 178.04 3hqp h SER 355 N 1.09 0.38 0.94 -0.69 0.02 -1.40 -2.76 113.55 111.14 3hqp h SER 355 Ca 0.40 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3hqp h SER 355 Cb 0.17 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3hqp h SER 355 CO -0.15 0.71 -0.60 0.00 -1.14 0.00 0.00 176.83 175.65 3hqp h ALA 356 N 1.32 0.61 -2.80 3.77 0.00 -1.28 -3.47 119.26 117.41 3hqp h ALA 356 Ca 0.04 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.42 3hqp h ALA 356 Cb 0.77 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.62 3hqp h ALA 356 CO 0.06 0.00 0.66 -1.17 0.00 0.00 0.00 179.25 178.80 3hqp s LEU 357 N -4.38 4.42 -0.98 0.00 2.96 0.50 -4.96 118.68 116.24 3hqp s LEU 357 Ca 0.06 2.59 -0.15 0.00 -0.22 0.00 0.00 54.13 56.41 3hqp s LEU 357 Cb 0.13 -3.63 0.19 0.00 0.50 0.00 0.00 46.19 43.37 3hqp s LEU 357 CO 0.72 -0.54 1.08 0.21 -1.32 0.00 0.00 176.35 176.49 3hqp s ASN 358 N -0.14 6.86 0.24 3.68 3.84 -1.26 -4.89 114.94 123.27 3hqp s ASN 358 Ca 0.53 -2.66 -0.04 0.00 0.21 0.00 0.00 52.86 50.89 3hqp s ASN 358 Cb -0.39 -2.31 0.26 0.00 -0.55 0.00 0.00 41.25 38.25 3hqp s ASN 358 CO 0.47 -0.74 1.76 -0.33 -2.79 0.00 0.00 177.10 175.47 3hqp h GLU 359 N 7.86 0.96 -0.49 0.43 3.07 -1.91 -2.31 114.58 122.19 3hqp h GLU 359 Ca 0.18 -0.23 -0.10 0.00 -0.50 0.00 0.00 59.36 58.71 3hqp h GLU 359 Cb 0.98 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.74 3hqp h GLU 359 CO 1.01 0.88 -0.09 -0.92 -1.40 0.00 0.00 179.01 178.49 3hqp h TYR 360 N 0.91 0.98 -0.21 4.33 3.20 -1.90 0.12 116.97 124.39 3hqp h TYR 360 Ca 0.19 -0.18 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 3hqp h TYR 360 Cb 0.38 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 3hqp h TYR 360 CO 0.02 0.93 -0.28 0.28 -1.64 0.00 0.00 178.16 177.47 3hqp h VAL 361 N 0.80 1.33 -0.43 1.81 2.07 -1.96 -2.28 116.25 117.60 3hqp h VAL 361 Ca 0.13 -1.48 0.08 0.00 0.82 0.00 0.00 66.70 66.26 3hqp h VAL 361 Cb 0.61 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 3hqp h VAL 361 CO 0.04 0.46 -0.04 0.15 0.02 0.00 0.00 177.57 178.20 3hqp h PHE 362 N 0.24 -0.10 0.22 1.57 -0.00 -1.22 -0.96 116.94 116.69 3hqp h PHE 362 Ca 0.02 0.03 0.01 0.00 -0.00 0.00 0.00 57.97 58.04 3hqp h PHE 362 Cb 0.85 0.11 -0.04 0.00 -0.00 0.00 0.00 35.95 36.88 3hqp h PHE 362 CO 0.08 -0.12 -0.39 0.35 -0.00 0.00 0.00 178.31 178.23 3hqp h PHE 363 N 0.07 -1.08 -0.05 0.41 3.57 -0.73 -2.55 116.94 116.58 3hqp h PHE 363 Ca 0.21 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 3hqp h PHE 363 Cb 0.31 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 3hqp h PHE 363 CO -0.31 -0.51 -0.15 -0.91 -2.23 0.00 0.00 178.31 174.20 3hqp h ASN 364 N -0.69 0.07 -0.40 0.41 2.35 -1.19 -2.86 115.58 113.28 3hqp h ASN 364 Ca 0.00 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 3hqp h ASN 364 Cb 0.67 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 3hqp h ASN 364 CO -0.17 0.23 -0.12 0.28 -1.65 0.00 0.00 177.43 176.00 3hqp h SER 365 N 0.08 0.79 -0.09 5.81 0.02 -1.01 -2.58 113.55 116.57 3hqp h SER 365 Ca 0.02 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 3hqp h SER 365 Cb 0.31 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 3hqp h SER 365 CO 0.02 0.99 0.03 0.40 -1.14 0.00 0.00 176.83 177.13 3hqp h ILE 366 N 0.59 1.15 -1.00 3.27 2.04 -1.25 -3.05 117.51 119.27 3hqp h ILE 366 Ca 0.10 -0.45 0.15 0.00 1.00 0.00 0.00 64.86 65.65 3hqp h ILE 366 Cb 0.65 1.29 -0.09 0.00 -0.74 0.00 0.00 36.82 37.93 3hqp h ILE 366 CO 0.04 0.13 0.62 0.50 0.00 0.00 0.00 178.15 179.44 3hqp h LYS 367 N -0.02 0.88 -0.00 2.37 3.64 -1.49 -0.47 116.57 121.47 3hqp h LYS 367 Ca 0.03 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3hqp h LYS 367 Cb 0.18 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3hqp h LYS 367 CO -0.00 0.58 -0.06 0.87 -2.27 0.00 0.00 179.45 178.57 3hqp h LYS 368 N 0.90 0.00 0.00 1.90 6.56 -1.35 -3.12 116.57 121.47 3hqp h LYS 368 Ca 0.53 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 60.10 3hqp h LYS 368 Cb 0.64 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.29 3hqp h LYS 368 CO -0.31 0.07 -1.10 1.28 -2.06 0.00 0.00 179.45 177.33 3hqp n LEU 369 N -4.46 0.79 -4.76 2.94 4.77 -0.21 -4.89 117.00 111.19 3hqp n LEU 369 Ca -0.03 0.31 -0.41 0.00 -0.03 0.00 0.00 56.01 55.86 3hqp n LEU 369 Cb 0.15 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3hqp n LEU 369 CO 0.35 -0.15 0.90 -1.10 -1.33 0.00 0.00 177.39 176.05 3hqp s GLN 370 N -3.35 4.49 0.29 3.23 -1.52 -1.08 -4.99 119.66 116.73 3hqp s GLN 370 Ca -0.01 2.00 -0.29 0.00 -1.95 0.00 0.00 55.36 55.11 3hqp s GLN 370 Cb 0.10 -3.15 -0.10 0.00 -0.22 0.00 0.00 33.01 29.64 3hqp s GLN 370 CO 0.80 -0.03 1.28 -1.58 -0.25 0.00 0.00 175.29 175.52 3hqp s HIS 371 N -0.90 3.18 -0.14 0.91 5.65 -1.26 -5.01 115.29 117.73 3hqp s HIS 371 Ca 0.48 1.39 -0.03 0.00 0.25 0.00 0.00 55.06 57.15 3hqp s HIS 371 Cb -0.36 -3.61 -0.03 0.00 -1.18 0.00 0.00 32.58 27.41 3hqp s HIS 371 CO 0.45 -1.71 -0.03 0.42 -0.65 0.00 0.00 174.74 173.22 3hqp s ILE 372 N -0.77 4.01 0.34 0.89 1.01 -1.26 -3.46 121.20 121.97 3hqp s ILE 372 Ca 0.51 -0.33 -0.24 0.00 0.00 0.00 0.00 60.65 60.59 3hqp s ILE 372 Cb -0.38 -2.74 -0.10 0.00 0.01 0.00 0.00 42.46 39.25 3hqp s ILE 372 CO 0.47 0.52 0.92 -2.16 0.00 0.00 0.00 174.94 174.68 3hqp s PRO 373 N 0.03 4.43 0.65 2.79 0.05 -1.26 -5.19 135.00 136.51 3hqp s PRO 373 Ca 0.01 1.20 -0.07 0.00 0.05 0.00 0.00 61.00 62.19 3hqp s PRO 373 Cb -0.13 -2.63 0.03 0.00 0.05 0.00 0.00 34.50 31.82 3hqp s PRO 373 CO 0.02 0.20 0.98 -1.64 0.05 0.00 0.00 177.00 176.62 3hqp s MET 374 N -2.38 2.66 0.57 4.56 -1.94 -1.22 -5.08 119.30 116.47 3hqp s MET 374 Ca 0.53 0.00 -0.17 0.00 -1.71 0.00 0.00 55.69 54.34 3hqp s MET 374 Cb -0.16 -2.19 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 3hqp s MET 374 CO 0.20 -0.95 1.07 -1.54 -0.01 0.00 0.00 175.02 173.79 3hqp s SER 375 N -4.39 5.81 0.54 3.03 1.04 -1.26 -4.83 113.70 113.65 3hqp s SER 375 Ca 0.57 1.89 0.23 0.00 0.48 0.00 0.00 55.95 59.12 3hqp s SER 375 Cb -0.11 -2.54 1.43 0.00 0.10 0.00 0.00 66.02 64.90 3hqp s SER 375 CO 0.46 -1.15 2.08 0.00 0.98 0.00 0.00 173.24 175.62 3hqp h ALA 376 N 0.68 2.13 0.80 5.32 0.00 -1.97 0.72 119.26 126.94 3hqp h ALA 376 Ca -0.48 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3hqp h ALA 376 Cb 1.23 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hqp h ALA 376 CO 0.57 -0.33 -0.47 0.22 0.00 0.00 0.00 179.25 179.25 3hqp h ASP 377 N 0.00 -1.18 -0.59 0.00 -0.00 -1.92 -2.65 116.42 110.08 3hqp h ASP 377 Ca 0.12 0.06 -0.06 0.00 -0.00 0.00 0.00 57.03 57.15 3hqp h ASP 377 Cb 0.51 0.34 -0.02 0.00 -0.00 0.00 0.00 39.33 40.16 3hqp h ASP 377 CO -0.00 -0.73 0.12 -0.08 -0.00 0.00 0.00 179.24 178.55 3hqp h GLU 378 N -1.18 0.95 -0.62 0.28 4.81 -1.56 -2.94 114.58 114.32 3hqp h GLU 378 Ca -0.11 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 3hqp h GLU 378 Cb 0.94 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 3hqp h GLU 378 CO 0.12 0.89 0.35 0.00 -0.73 0.00 0.00 179.01 179.64 3hqp h ALA 379 N 1.02 1.44 -0.07 2.92 0.00 -1.00 -0.48 119.26 123.10 3hqp h ALA 379 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hqp h ALA 379 Cb 0.38 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hqp h ALA 379 CO 0.01 0.47 0.02 0.28 0.00 0.00 0.00 179.25 180.03 3hqp h VAL 380 N 0.86 1.17 -0.53 0.00 2.07 -1.30 0.19 116.25 118.71 3hqp h VAL 380 Ca 0.22 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3hqp h VAL 380 Cb 0.01 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3hqp h VAL 380 CO -0.04 0.14 0.28 0.00 0.02 0.00 0.00 177.57 177.97 3hqp h SER 382 N 0.71 -0.00 0.97 0.00 0.87 -1.01 -1.45 113.55 113.63 3hqp h SER 382 Ca 0.18 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 3hqp h SER 382 Cb 0.08 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3hqp h SER 382 CO -0.03 0.02 -0.18 0.28 -0.53 0.00 0.00 176.83 176.40 3hqp h SER 383 N 0.09 0.00 -0.09 6.23 0.02 -0.40 -1.91 113.55 117.48 3hqp h SER 383 Ca 0.07 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 3hqp h SER 383 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3hqp h SER 383 CO -0.10 0.18 -0.41 0.00 -1.14 0.00 0.00 176.83 175.36 3hqp h ALA 384 N 1.82 0.18 -0.39 3.77 0.00 -0.04 -1.17 119.26 123.43 3hqp h ALA 384 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3hqp h ALA 384 Cb 0.71 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3hqp h ALA 384 CO 0.02 0.29 0.19 0.28 0.00 0.00 0.00 179.25 180.03 3hqp h VAL 385 N 0.00 1.17 -0.52 0.00 2.07 -1.23 -2.41 116.25 115.33 3hqp h VAL 385 Ca -0.02 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.12 3hqp h VAL 385 Cb 1.05 0.77 -0.10 0.00 -1.52 0.00 0.00 31.29 31.49 3hqp h VAL 385 CO 0.08 0.18 -0.19 -1.13 0.02 0.00 0.00 177.57 176.54 3hqp h ASN 386 N 0.49 -0.67 -0.70 0.57 -0.73 -1.30 -0.82 115.58 112.43 3hqp h ASN 386 Ca 0.13 0.17 0.11 0.00 1.87 0.00 0.00 56.30 58.59 3hqp h ASN 386 Cb 0.12 0.39 -0.05 0.00 0.27 0.00 0.00 38.32 39.05 3hqp h ASN 386 CO -0.02 -0.22 0.46 0.28 -0.37 0.00 0.00 177.43 177.56 3hqp h SER 387 N -0.07 0.45 0.30 1.15 0.02 -0.93 -1.92 113.55 112.56 3hqp h SER 387 Ca 0.25 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 3hqp h SER 387 Cb 0.45 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3hqp h SER 387 CO -0.57 0.26 -0.14 0.58 -1.14 0.00 0.00 176.83 175.82 3hqp h VAL 388 N 0.50 0.73 -0.49 2.27 2.07 -0.66 -1.09 116.25 119.58 3hqp h VAL 388 Ca 0.33 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3hqp h VAL 388 Cb 0.61 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3hqp h VAL 388 CO -0.11 0.07 0.29 1.88 0.02 0.00 0.00 177.57 179.73 3hqp h TYR 389 N -0.59 0.54 0.00 1.57 0.05 -1.22 0.45 116.97 117.77 3hqp h TYR 389 Ca -0.04 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.71 3hqp h TYR 389 Cb 0.43 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 3hqp h TYR 389 CO -0.01 0.31 -0.20 0.93 -1.05 0.00 0.00 178.16 178.15 3hqp h GLU 390 N 0.58 0.00 -0.01 4.88 5.08 -1.31 -3.10 114.58 120.71 3hqp h GLU 390 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3hqp h GLU 390 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3hqp h GLU 390 CO -0.09 0.20 -0.30 -2.37 -1.00 0.00 0.00 179.01 175.45 3hqp n THR 391 N -4.08 0.00 -3.77 1.13 5.66 -0.42 -5.01 114.28 107.80 3hqp n THR 391 Ca -0.02 -0.35 -0.23 0.00 -3.05 0.00 0.00 64.05 60.40 3hqp n THR 391 Cb 0.27 1.10 0.02 0.00 -1.55 0.00 0.00 70.33 70.17 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 -0.49 -4.78 -2.03 1.09 5.02 0.15 -4.93 118.16 112.19 3hqp n LYS 392 Ca 0.04 0.59 -0.35 0.00 -2.02 0.00 0.00 58.31 56.56 3hqp n LYS 392 Cb 0.21 -5.14 0.03 0.00 -0.02 0.00 0.00 35.03 30.12 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 -3.65 2.56 -1.65 7.82 0.00 -0.68 -4.79 121.76 121.36 3hqp s ALA 393 Ca 0.10 0.89 0.14 0.00 0.00 0.00 0.00 51.96 53.09 3hqp s ALA 393 Cb -0.05 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.74 3hqp s ALA 393 CO 0.83 -1.09 0.90 1.63 0.00 0.00 0.00 175.76 178.03 3hqp n LYS 394 N -1.66 1.22 -3.58 0.00 5.02 -1.10 -4.78 118.16 113.28 3hqp n LYS 394 Ca 0.13 -1.19 -0.14 0.00 -2.02 0.00 0.00 58.31 55.09 3hqp n LYS 394 Cb 0.50 -1.25 -0.05 0.00 -0.02 0.00 0.00 35.03 34.21 3hqp n LYS 394 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqp s ALA 395 N -1.33 -1.32 0.04 7.82 0.00 -1.26 -4.23 121.76 121.49 3hqp s ALA 395 Ca 0.15 0.59 0.07 0.00 0.00 0.00 0.00 51.96 52.77 3hqp s ALA 395 Cb 0.12 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 3hqp s ALA 395 CO 0.22 -0.50 -0.19 1.41 0.00 0.00 0.00 175.76 176.69 3hqp s MET 396 N -2.45 1.32 -0.11 0.00 1.75 -0.84 -1.95 119.30 117.02 3hqp s MET 396 Ca -0.05 -0.89 0.01 0.00 -1.25 0.00 0.00 55.69 53.50 3hqp s MET 396 Cb -0.01 -1.40 0.02 0.00 2.84 0.00 0.00 34.83 36.28 3hqp s MET 396 CO -0.02 0.36 -0.11 0.08 -0.65 0.00 0.00 175.02 174.68 3hqp s VAL 397 N -0.79 1.26 -0.11 10.11 1.01 0.21 -0.72 120.40 131.36 3hqp s VAL 397 Ca 0.06 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3hqp s VAL 397 Cb -0.09 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.11 3hqp s VAL 397 CO 0.02 0.40 -0.14 0.54 0.00 0.00 0.00 175.10 175.92 3hqp s VAL 398 N 1.36 1.42 0.03 2.92 0.11 -0.42 0.38 120.40 126.20 3hqp s VAL 398 Ca -0.00 -0.59 -0.30 0.00 -2.93 0.00 0.00 61.98 58.16 3hqp s VAL 398 Cb -0.14 -1.32 -0.04 0.00 -1.53 0.00 0.00 36.38 33.36 3hqp s VAL 398 CO -0.06 0.43 1.00 -0.76 -3.33 0.00 0.00 175.10 172.38 3hqp s LEU 399 N 1.10 4.40 -0.27 2.54 1.43 -0.91 -1.83 118.68 125.13 3hqp s LEU 399 Ca -0.05 1.73 -0.10 0.00 -1.03 0.00 0.00 54.13 54.69 3hqp s LEU 399 Cb -0.14 -3.57 0.12 0.00 0.03 0.00 0.00 46.19 42.62 3hqp s LEU 399 CO -0.03 -0.24 0.60 -0.55 0.23 0.00 0.00 176.35 176.35 3hqp s SER 400 N 0.80 -0.92 -0.02 2.29 0.15 -0.95 -4.83 113.70 110.23 3hqp s SER 400 Ca 0.52 1.43 -0.02 0.00 0.70 0.00 0.00 55.95 58.57 3hqp s SER 400 Cb -0.22 2.02 -0.27 0.00 -1.71 0.00 0.00 66.02 65.83 3hqp s SER 400 CO 0.29 -0.22 0.78 0.78 1.20 0.00 0.00 173.24 176.06 3hqp h ASN 401 N 7.98 0.37 0.00 5.45 4.21 -1.96 -3.37 115.58 128.25 3hqp h ASN 401 Ca -0.18 -0.56 -0.12 0.00 1.21 0.00 0.00 56.30 56.64 3hqp h ASN 401 Cb 1.11 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 38.17 3hqp h ASN 401 CO 0.11 1.47 -2.12 0.35 -1.29 0.00 0.00 177.43 175.95 3hqp n THR 402 N -3.43 0.47 0.00 2.81 -2.24 -1.26 -4.61 114.28 106.02 3hqp n THR 402 Ca -0.19 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 3hqp n THR 402 Cb 1.05 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 3hqp n THR 402 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hqp n GLY 403 N 1.44 0.25 0.26 3.38 0.00 -1.26 -4.90 105.19 104.36 3hqp n GLY 403 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 3hqp n GLY 403 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hqp h ARG 404 N 3.68 0.86 -0.32 1.61 2.43 -1.94 -0.61 114.38 120.08 3hqp h ARG 404 Ca 0.00 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 58.97 3hqp h ARG 404 Cb 0.00 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3hqp h ARG 404 CO 0.00 0.62 -0.31 0.77 -1.51 0.00 0.00 179.97 179.54 3hqp h SER 405 N 0.85 0.70 -0.45 -3.80 0.02 -1.93 -2.24 113.55 106.71 3hqp h SER 405 Ca 0.23 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3hqp h SER 405 Cb -0.01 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3hqp h SER 405 CO -0.04 0.96 0.21 0.00 -1.14 0.00 0.00 176.83 176.82 3hqp h ALA 406 N 1.08 0.59 -0.02 3.77 0.00 -1.79 -2.75 119.26 120.15 3hqp h ALA 406 Ca 0.07 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3hqp h ALA 406 Cb 0.81 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hqp h ALA 406 CO 0.07 0.15 -0.36 0.00 0.00 0.00 0.00 179.25 179.11 3hqp h ARG 407 N 0.59 0.03 -0.20 0.00 3.08 -1.04 -2.36 114.38 114.48 3hqp h ARG 407 Ca 0.15 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 3hqp h ARG 407 Cb 0.13 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3hqp h ARG 407 CO -0.02 0.39 -0.12 1.25 -1.07 0.00 0.00 179.97 180.41 3hqp h LEU 408 N 0.03 0.45 -0.46 3.04 5.85 -1.18 -0.68 115.31 122.35 3hqp h LEU 408 Ca 0.00 -0.43 -0.14 0.00 0.84 0.00 0.00 57.88 58.15 3hqp h LEU 408 Cb 0.66 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3hqp h LEU 408 CO 0.05 0.78 -0.29 0.58 -0.34 0.00 0.00 178.44 179.22 3hqp h VAL 409 N 0.13 1.27 -0.07 1.05 2.07 -1.48 -2.86 116.25 116.36 3hqp h VAL 409 Ca 0.04 -1.46 0.01 0.00 0.82 0.00 0.00 66.70 66.11 3hqp h VAL 409 Cb 0.62 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3hqp h VAL 409 CO 0.03 0.50 0.05 0.00 0.02 0.00 0.00 177.57 178.17 3hqp h ALA 410 N 0.84 2.00 0.00 1.67 0.00 -1.36 -2.00 119.26 120.41 3hqp h ALA 410 Ca 0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3hqp h ALA 410 Cb 0.87 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3hqp h ALA 410 CO 0.08 -0.01 -0.15 -0.22 0.00 0.00 0.00 179.25 178.94 3hqp h LYS 411 N 0.05 0.00 -0.66 0.00 3.64 -0.88 -3.00 116.57 115.73 3hqp h LYS 411 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3hqp h LYS 411 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3hqp h LYS 411 CO -0.00 0.15 0.00 0.66 -2.27 0.00 0.00 179.45 177.99 3hqp n TYR 412 N -4.21 1.28 -3.58 1.91 4.01 -0.76 -4.99 117.16 110.83 3hqp n TYR 412 Ca -0.02 -0.58 -0.18 0.00 -0.16 0.00 0.00 57.90 56.96 3hqp n TYR 412 Cb 0.23 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 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 1.25 -1.52 -1.61 -0.72 5.12 -1.13 -4.48 116.66 113.57 3hqp n ARG 413 Ca 0.25 1.00 -0.33 0.00 -1.93 0.00 0.00 57.85 56.84 3hqp n ARG 413 Cb 0.79 -3.24 0.06 0.00 -1.16 0.00 0.00 32.46 28.91 3hqp n ARG 413 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3hqp s PRO 414 N -4.30 2.62 -0.30 5.56 0.04 -1.26 -4.57 135.00 132.78 3hqp s PRO 414 Ca 0.02 1.36 0.02 0.00 0.04 0.00 0.00 61.00 62.43 3hqp s PRO 414 Cb -0.00 -1.93 0.38 0.00 0.04 0.00 0.00 34.50 32.98 3hqp s PRO 414 CO 0.86 -1.39 1.65 0.27 0.04 0.00 0.00 177.00 178.43 3hqp n ASN 415 N -2.71 4.14 -3.78 6.66 6.94 -1.26 -4.87 115.26 120.39 3hqp n ASN 415 Ca 0.10 -3.02 -0.10 0.00 -0.02 0.00 0.00 54.58 51.54 3hqp n ASN 415 Cb 0.52 -0.77 -0.05 0.00 -2.36 0.00 0.00 39.78 37.11 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 -0.22 1.41 -4.03 0.00 -0.02 -1.26 -4.83 135.00 126.05 3hqp n PRO 417 Ca -0.12 0.51 -0.35 0.00 -2.02 0.00 0.00 63.50 61.52 3hqp n PRO 417 Cb 0.63 -2.18 -0.11 0.00 -0.02 0.00 0.00 33.50 31.82 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 -1.31 4.51 -0.34 4.25 1.01 -0.58 -1.98 121.20 126.76 3hqp s ILE 418 Ca 0.66 -0.13 -0.06 0.00 0.00 0.00 0.00 60.65 61.12 3hqp s ILE 418 Cb -0.50 -3.04 0.04 0.00 0.01 0.00 0.00 42.46 38.97 3hqp s ILE 418 CO 0.55 0.44 0.10 -0.69 0.00 0.00 0.00 174.94 175.33 3hqp s VAL 419 N 0.66 3.70 -0.38 2.92 1.01 0.10 -0.37 120.40 128.04 3hqp s VAL 419 Ca 0.02 -1.18 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 3hqp s VAL 419 Cb -0.13 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.14 3hqp s VAL 419 CO 0.02 -0.19 0.45 0.00 0.00 0.00 0.00 175.10 175.37 3hqp s VAL 421 N 2.21 4.87 0.06 0.00 1.01 -0.76 0.11 120.40 127.90 3hqp s VAL 421 Ca 0.14 0.68 0.07 0.00 0.00 0.00 0.00 61.98 62.87 3hqp s VAL 421 Cb -0.16 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 3hqp s VAL 421 CO 0.13 -0.31 -0.18 0.28 0.00 0.00 0.00 175.10 175.02 3hqp s THR 422 N 2.76 1.46 -2.23 3.92 -1.32 0.49 -2.23 115.64 118.49 3hqp s THR 422 Ca 0.26 -1.21 0.20 0.00 -1.21 0.00 0.00 61.69 59.73 3hqp s THR 422 Cb -0.14 -1.31 0.46 0.00 -1.51 0.00 0.00 72.50 70.00 3hqp s THR 422 CO 0.15 0.06 1.44 0.35 -2.21 0.00 0.00 174.62 174.41 3hqp n THR 423 N 1.67 0.54 -4.26 5.08 -2.24 -1.26 -0.37 114.28 113.45 3hqp n THR 423 Ca -0.18 -0.66 -0.19 0.00 -2.27 0.00 0.00 64.05 60.75 3hqp n THR 423 Cb 0.54 0.59 -0.13 0.00 -2.10 0.00 0.00 70.33 69.23 3hqp n THR 423 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hqp s ARG 424 N -1.46 0.86 0.02 -0.78 0.52 -1.26 -4.69 118.95 112.17 3hqp s ARG 424 Ca 0.37 -0.85 -0.09 0.00 -0.52 0.00 0.00 55.73 54.64 3hqp s ARG 424 Cb 0.20 -0.87 -0.31 0.00 0.52 0.00 0.00 34.95 34.49 3hqp s ARG 424 CO 0.28 0.20 0.95 1.25 0.02 0.00 0.00 175.30 178.01 3hqp h LEU 425 N 4.62 0.58 -1.00 2.53 5.85 -1.94 -3.31 115.31 122.64 3hqp h LEU 425 Ca -0.39 -0.70 -0.10 0.00 0.84 0.00 0.00 57.88 57.53 3hqp h LEU 425 Cb 1.19 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3hqp h LEU 425 CO 0.42 1.56 -0.34 -0.61 -0.34 0.00 0.00 178.44 179.13 3hqp h GLN 426 N 0.10 0.29 -0.91 1.25 4.15 -1.97 -2.75 115.11 115.27 3hqp h GLN 426 Ca -0.23 -0.12 0.06 0.00 0.77 0.00 0.00 58.65 59.12 3hqp h GLN 426 Cb 2.07 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 29.69 3hqp h GLN 426 CO 0.21 0.60 0.59 1.15 -1.93 0.00 0.00 178.83 179.46 3hqp h THR 427 N 0.25 1.10 -0.65 2.39 2.02 -1.86 0.25 112.91 116.40 3hqp h THR 427 Ca 0.03 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 3hqp h THR 427 Cb 0.73 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3hqp h THR 427 CO 0.06 0.20 0.27 0.00 0.37 0.00 0.00 175.52 176.42 3hqp h ARG 429 N 0.93 0.39 0.00 0.00 3.08 -1.25 -3.32 114.38 114.22 3hqp h ARG 429 Ca 0.22 -0.65 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 3hqp h ARG 429 Cb 0.16 0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 3hqp h ARG 429 CO -0.02 1.31 -0.15 1.96 -1.07 0.00 0.00 179.97 182.00 3hqp h GLN 430 N -0.18 0.00 0.00 0.04 4.20 -0.57 -2.27 115.11 116.32 3hqp h GLN 430 Ca -0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3hqp h GLN 430 Cb 1.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.59 3hqp h GLN 430 CO 0.19 0.15 0.00 1.28 -0.67 0.00 0.00 178.83 179.78 3hqp n LEU 431 N -3.43 0.00 0.00 1.46 4.77 -0.84 -3.44 117.00 115.51 3hqp n LEU 431 Ca -0.01 0.39 0.06 0.00 -0.03 0.00 0.00 56.01 56.43 3hqp n LEU 431 Cb 0.33 -0.39 0.33 0.00 -2.33 0.00 0.00 43.42 41.36 3hqp n LEU 431 CO 0.31 -0.00 0.64 0.59 -1.33 0.00 0.00 177.39 177.60 3hqp n ASN 432 N -1.39 0.00 -0.41 -1.43 4.13 -0.85 -2.03 115.26 113.27 3hqp n ASN 432 Ca 0.11 -0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.43 3hqp n ASN 432 Cb 0.29 -0.23 0.03 0.00 -1.54 0.00 0.00 39.78 38.33 3hqp n ASN 432 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3hqp n ILE 433 N -1.23 0.00 -3.85 2.41 -5.35 -1.22 -4.77 119.36 105.35 3hqp n ILE 433 Ca 0.07 -0.43 -0.36 0.00 -0.27 0.00 0.00 62.75 61.76 3hqp n ILE 433 Cb 0.09 1.22 -0.07 0.00 -1.74 0.00 0.00 39.64 39.13 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 -1.37 5.33 0.51 7.28 2.01 -0.86 -4.53 115.64 124.00 3hqp s THR 434 Ca 0.13 0.15 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 3hqp s THR 434 Cb 0.11 -3.37 -0.07 0.00 0.01 0.00 0.00 72.50 69.17 3hqp s THR 434 CO 0.25 0.52 1.08 -1.58 -0.69 0.00 0.00 174.62 174.20 3hqp s GLN 435 N -0.26 3.62 -0.01 4.92 -0.44 -1.26 -4.04 119.66 122.19 3hqp s GLN 435 Ca 0.10 1.50 0.00 0.00 -2.50 0.00 0.00 55.36 54.46 3hqp s GLN 435 Cb -0.12 -2.09 0.00 0.00 -1.64 0.00 0.00 33.01 29.16 3hqp s GLN 435 CO 0.01 -0.61 0.00 0.41 0.50 0.00 0.00 175.29 175.60 3hqp n GLY 436 N -0.01 0.36 3.47 2.59 0.00 0.88 -4.85 105.19 107.63 3hqp n GLY 436 Ca 0.10 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3hqp n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hqp s VAL 437 N -1.71 3.42 -0.08 1.61 1.01 -1.26 -1.53 120.40 121.87 3hqp s VAL 437 Ca 0.00 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.46 3hqp s VAL 437 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.95 3hqp s VAL 437 CO 0.00 0.55 -0.19 -1.61 0.00 0.00 0.00 175.10 173.84 3hqp s GLU 438 N -0.10 2.37 -0.13 2.72 2.02 0.50 -4.94 118.70 121.14 3hqp s GLU 438 Ca -0.00 -0.68 -0.06 0.00 0.02 0.00 0.00 54.97 54.24 3hqp s GLU 438 Cb -0.13 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 3hqp s GLU 438 CO 0.03 0.15 0.10 -1.12 0.02 0.00 0.00 175.26 174.44 3hqp s SER 439 N 0.37 5.99 -0.10 -0.19 0.01 -1.26 -0.17 113.70 118.35 3hqp s SER 439 Ca -0.14 0.30 0.04 0.00 1.31 0.00 0.00 55.95 57.45 3hqp s SER 439 Cb -0.16 -1.93 -0.01 0.00 0.21 0.00 0.00 66.02 64.14 3hqp s SER 439 CO 0.06 0.33 -0.22 -0.69 0.41 0.00 0.00 173.24 173.13 3hqp s VAL 440 N -0.57 2.27 0.04 3.43 1.01 0.12 -4.93 120.40 121.77 3hqp s VAL 440 Ca 0.12 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 3hqp s VAL 440 Cb -0.12 -1.88 -0.06 0.00 0.00 0.00 0.00 36.38 34.33 3hqp s VAL 440 CO 0.02 0.56 0.72 0.12 0.00 0.00 0.00 175.10 176.52 3hqp s PHE 441 N 0.23 3.73 -0.11 5.22 5.36 -1.26 -0.38 117.98 130.77 3hqp s PHE 441 Ca -0.14 1.41 0.01 0.00 -0.96 0.00 0.00 56.93 57.25 3hqp s PHE 441 Cb -0.17 -2.77 0.02 0.00 -0.34 0.00 0.00 43.02 39.77 3hqp s PHE 441 CO 0.07 0.30 -0.11 0.12 -1.46 0.00 0.00 175.22 174.14 3hqp s PHE 442 N -0.13 1.67 -0.61 10.12 5.36 0.50 -4.91 117.98 129.99 3hqp s PHE 442 Ca 0.37 -0.81 -0.20 0.00 -0.96 0.00 0.00 56.93 55.32 3hqp s PHE 442 Cb -0.20 -1.29 0.09 0.00 -0.34 0.00 0.00 43.02 41.28 3hqp s PHE 442 CO 0.22 -0.48 0.80 0.34 -1.46 0.00 0.00 175.22 174.63 3hqp s ASP 443 N 1.32 6.18 0.47 6.13 -1.08 -1.26 -4.06 116.67 124.37 3hqp s ASP 443 Ca -0.01 -1.25 0.32 0.00 -0.52 0.00 0.00 52.55 51.08 3hqp s ASP 443 Cb -0.14 -2.34 1.47 0.00 -1.46 0.00 0.00 42.92 40.44 3hqp s ASP 443 CO -0.05 -1.23 1.96 0.00 0.52 0.00 0.00 175.17 176.37 3hqp h ALA 444 N 9.32 1.00 -0.04 3.66 0.00 -1.84 -1.90 119.26 129.46 3hqp h ALA 444 Ca -0.29 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3hqp h ALA 444 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hqp h ALA 444 CO 1.13 0.00 -0.17 -0.44 0.00 0.00 0.00 179.25 179.77 3hqp h ASP 445 N 0.00 0.21 0.06 0.00 3.32 -1.91 -2.13 116.42 115.97 3hqp h ASP 445 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 57.03 56.40 3hqp h ASP 445 Cb 0.31 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3hqp h ASP 445 CO 0.00 0.83 -0.28 2.29 -1.72 0.00 0.00 179.24 180.36 3hqp n LYS 446 N -4.59 1.34 0.00 3.56 2.85 -1.14 -4.38 118.16 115.80 3hqp n LYS 446 Ca -0.09 -1.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.17 3hqp n LYS 446 Cb 0.42 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 3hqp n LYS 446 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3hqp n LEU 447 N 0.05 0.00 0.00 -5.58 4.77 -0.73 -5.10 117.00 110.41 3hqp n LEU 447 Ca 0.12 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3hqp n LEU 447 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3hqp n LEU 447 CO 0.24 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3hqp n GLY 448 N 0.88 2.02 0.00 -0.72 0.00 -0.80 -4.75 105.19 101.82 3hqp n GLY 448 Ca 0.00 -1.95 0.13 0.00 0.00 0.00 0.00 46.02 44.20 3hqp n GLY 448 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hqp n HIS 449 N 1.66 0.00 -3.14 1.61 8.25 -1.25 -4.32 115.22 118.04 3hqp n HIS 449 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 3hqp n HIS 449 Cb 0.00 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 30.76 3hqp n HIS 449 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3hqp n ASP 450 N -1.35 -7.48 -4.81 0.41 2.03 -1.26 -5.01 116.55 99.07 3hqp n ASP 450 Ca 0.10 -0.18 -0.39 0.00 0.52 0.00 0.00 54.79 54.85 3hqp n ASP 450 Cb 0.23 -4.96 -0.06 0.00 -0.72 0.00 0.00 41.12 35.61 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 -3.25 4.17 0.00 -0.67 1.03 -1.26 -3.46 118.70 115.27 3hqp s GLU 451 Ca 0.02 0.71 0.00 0.00 0.03 0.00 0.00 54.97 55.73 3hqp s GLU 451 Cb -0.00 -3.23 0.00 0.00 -0.80 0.00 0.00 34.13 30.09 3hqp s GLU 451 CO 0.76 0.64 0.00 0.41 -1.33 0.00 0.00 175.26 175.75 3hqp n GLY 452 N 1.72 3.18 4.05 -3.83 0.00 -1.26 -4.79 105.19 104.26 3hqp n GLY 452 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3hqp n GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hqp n LYS 453 N -0.89 0.00 -0.34 1.61 4.76 -1.22 -4.83 118.16 117.24 3hqp n LYS 453 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 3hqp n LYS 453 Cb 0.00 -2.46 0.09 0.00 -1.84 0.00 0.00 35.03 30.82 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 0.95 1.27 -0.73 1.97 3.07 -1.88 -2.36 114.58 116.87 3hqp h GLU 454 Ca 0.00 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 3hqp h GLU 454 Cb 0.00 -0.26 -0.03 0.00 -0.84 0.00 0.00 28.75 27.62 3hqp h GLU 454 CO 0.00 0.90 0.40 0.45 -1.40 0.00 0.00 179.01 179.37 3hqp h HIS 455 N 1.28 1.01 -0.18 4.33 3.86 -1.94 0.69 115.15 124.19 3hqp h HIS 455 Ca 0.33 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.47 3hqp h HIS 455 Cb -0.02 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.12 3hqp h HIS 455 CO 0.01 0.71 -0.08 0.00 0.86 0.00 0.00 177.93 179.43 3hqp h ARG 456 N 1.01 0.37 -0.14 2.45 3.08 -1.90 -2.74 114.38 116.50 3hqp h ARG 456 Ca 0.26 -0.16 0.04 0.00 0.07 0.00 0.00 59.98 60.19 3hqp h ARG 456 Cb 0.03 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 3hqp h ARG 456 CO -0.04 0.66 -0.12 0.28 -1.07 0.00 0.00 179.97 179.68 3hqp h VAL 457 N 0.06 0.65 -0.81 2.04 2.07 -1.19 -1.89 116.25 117.18 3hqp h VAL 457 Ca 0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.63 3hqp h VAL 457 Cb 0.55 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 3hqp h VAL 457 CO 0.02 0.00 0.48 0.00 0.02 0.00 0.00 177.57 178.09 3hqp h ALA 458 N 0.95 1.12 -0.68 1.67 0.00 -0.90 0.78 119.26 122.21 3hqp h ALA 458 Ca 0.09 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hqp h ALA 458 Cb 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3hqp h ALA 458 CO -0.23 0.16 0.19 0.00 0.00 0.00 0.00 179.25 179.37 3hqp h ALA 459 N 1.41 1.06 -0.58 0.00 0.00 -1.26 0.21 119.26 120.10 3hqp h ALA 459 Ca 0.37 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3hqp h ALA 459 Cb 0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hqp h ALA 459 CO -0.20 0.63 -0.05 0.78 0.00 0.00 0.00 179.25 180.41 3hqp h GLY 460 N 1.07 1.15 1.04 0.00 0.00 -0.44 -0.08 103.07 105.81 3hqp h GLY 460 Ca 0.22 -0.88 -0.13 0.00 0.00 0.00 0.00 47.33 46.54 3hqp h GLY 460 CO -0.00 0.81 -0.25 -2.08 0.00 0.00 0.00 176.54 175.02 3hqp h VAL 461 N 0.96 1.28 -0.47 4.60 2.07 -0.69 -2.66 116.25 121.33 3hqp h VAL 461 Ca 0.16 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 3hqp h VAL 461 Cb 0.62 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3hqp h VAL 461 CO 0.04 0.47 0.25 -0.08 0.02 0.00 0.00 177.57 178.26 3hqp h GLU 462 N 0.65 0.66 -0.89 1.57 4.57 -0.42 -1.51 114.58 119.21 3hqp h GLU 462 Ca 0.08 -0.08 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 3hqp h GLU 462 Cb 0.82 -0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 29.21 3hqp h GLU 462 CO 0.07 0.53 0.55 0.35 -1.18 0.00 0.00 179.01 179.33 3hqp h PHE 463 N 0.62 1.01 -0.48 0.92 3.57 -0.99 -0.04 116.94 121.55 3hqp h PHE 463 Ca 0.16 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 3hqp h PHE 463 Cb 0.07 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 3hqp h PHE 463 CO -0.02 0.48 -0.10 0.00 -2.23 0.00 0.00 178.31 176.45 3hqp h ALA 464 N 1.44 0.92 -0.41 2.41 0.00 -1.10 -2.01 119.26 120.51 3hqp h ALA 464 Ca 0.41 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3hqp h ALA 464 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hqp h ALA 464 CO -0.20 0.63 0.14 0.87 0.00 0.00 0.00 179.25 180.69 3hqp h LYS 465 N 0.79 0.63 -0.26 0.00 1.79 -0.53 0.21 116.57 119.20 3hqp h LYS 465 Ca 0.13 -0.13 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 3hqp h LYS 465 Cb 0.61 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 3hqp h LYS 465 CO 0.04 0.62 -0.04 0.66 -1.08 0.00 0.00 179.45 179.64 3hqp h SER 466 N 0.52 0.38 0.39 0.86 4.64 -0.80 -1.80 113.55 117.75 3hqp h SER 466 Ca 0.13 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3hqp h SER 466 Cb 0.24 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3hqp h SER 466 CO -0.01 0.48 -0.20 0.29 -0.87 0.00 0.00 176.83 176.52 3hqp n LYS 467 N -4.29 0.58 -2.22 4.77 4.76 -0.78 -4.95 118.16 116.04 3hqp n LYS 467 Ca 0.01 -0.26 -0.05 0.00 -2.87 0.00 0.00 58.31 55.14 3hqp n LYS 467 Cb 0.24 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 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 1.35 0.28 0.11 0.72 0.00 -0.68 -4.97 105.19 102.00 3hqp n GLY 468 Ca 0.12 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.12 0.39 -4.33 1.61 0.05 -0.84 -3.47 116.97 110.27 3hqp h TYR 469 Ca -0.11 -0.29 -0.67 0.00 0.05 0.00 0.00 58.73 57.71 3hqp h TYR 469 Cb 1.08 -0.02 -0.27 0.00 1.01 0.00 0.00 36.73 38.53 3hqp h TYR 469 CO 0.11 1.28 -0.88 0.14 -1.05 0.00 0.00 178.16 177.77 3hqp s VAL 470 N -2.39 2.04 0.42 -2.88 -7.23 -1.22 -4.79 120.40 104.35 3hqp s VAL 470 Ca -0.16 -1.30 0.07 0.00 -1.81 0.00 0.00 61.98 58.78 3hqp s VAL 470 Cb 0.01 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 3hqp s VAL 470 CO 0.78 0.37 0.20 -1.10 -0.31 0.00 0.00 175.10 175.04 3hqp s GLN 471 N -1.12 2.24 -0.23 4.82 1.11 -1.26 -4.38 119.66 120.85 3hqp s GLN 471 Ca 0.11 -1.84 -0.40 0.00 0.01 0.00 0.00 55.36 53.23 3hqp s GLN 471 Cb -0.10 -2.00 -0.16 0.00 -1.01 0.00 0.00 33.01 29.74 3hqp s GLN 471 CO 0.01 -0.14 1.63 2.41 0.01 0.00 0.00 175.29 179.22 3hqp n THR 472 N -1.27 0.21 0.00 -0.19 -1.04 -1.26 -1.35 114.28 109.37 3hqp n THR 472 Ca -0.01 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3hqp n THR 472 Cb 0.64 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 3hqp n THR 472 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hqp n GLY 473 N 3.78 1.97 3.78 3.41 0.00 0.70 -5.00 105.19 113.82 3hqp n GLY 473 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 3hqp n GLY 473 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hqp s ASP 474 N -1.47 5.42 0.30 1.61 1.11 -0.46 -4.75 116.67 118.43 3hqp s ASP 474 Ca 0.00 2.03 -0.14 0.00 0.18 0.00 0.00 52.55 54.63 3hqp s ASP 474 Cb 0.00 -2.56 -0.08 0.00 1.07 0.00 0.00 42.92 41.35 3hqp s ASP 474 CO 0.00 -1.42 0.68 -0.31 1.18 0.00 0.00 175.17 175.30 3hqp s TYR 475 N -2.16 3.39 -0.02 4.23 2.02 -1.26 -1.34 117.35 122.21 3hqp s TYR 475 Ca 0.68 1.13 0.00 0.00 -0.37 0.00 0.00 57.07 58.51 3hqp s TYR 475 Cb -0.21 -2.46 0.02 0.00 -0.40 0.00 0.00 41.96 38.91 3hqp s TYR 475 CO 0.36 0.15 -0.01 0.00 -1.57 0.00 0.00 175.55 174.48 3hqp s VAL 477 N 0.59 5.04 -0.10 0.00 1.01 -0.82 -0.12 120.40 126.00 3hqp s VAL 477 Ca -0.06 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.03 3hqp s VAL 477 Cb -0.08 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 3hqp s VAL 477 CO -0.01 0.35 -0.22 -0.69 0.00 0.00 0.00 175.10 174.52 3hqp s VAL 478 N 1.15 2.23 -0.14 2.92 1.01 0.12 -0.62 120.40 127.07 3hqp s VAL 478 Ca 0.06 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3hqp s VAL 478 Cb -0.14 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.39 3hqp s VAL 478 CO 0.05 0.56 -0.20 -0.63 0.00 0.00 0.00 175.10 174.87 3hqp s ILE 479 N 0.26 1.95 0.06 2.22 1.01 0.16 -1.10 121.20 125.76 3hqp s ILE 479 Ca -0.15 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.53 3hqp s ILE 479 Cb -0.17 -1.74 0.02 0.00 0.01 0.00 0.00 42.46 40.58 3hqp s ILE 479 CO 0.08 0.53 0.29 0.00 0.00 0.00 0.00 174.94 175.84 3hqp n HIS 480 N 4.24 -0.86 -2.35 3.97 1.44 -1.05 -2.14 115.22 118.47 3hqp n HIS 480 Ca -0.20 -0.39 -0.28 0.00 -2.01 0.00 0.00 57.72 54.84 3hqp n HIS 480 Cb 0.51 0.19 0.01 0.00 0.12 0.00 0.00 29.99 30.82 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 -1.30 3.28 1.00 1.59 0.00 -1.26 -1.80 121.76 123.26 3hqp s ALA 481 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3hqp s ALA 481 Cb -0.01 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.36 3hqp s ALA 481 CO 0.02 -0.56 0.00 -0.40 0.00 0.00 0.00 175.76 174.82 3hqp n ASP 482 N -2.49 0.00 0.11 0.00 5.68 -1.26 -4.89 116.55 113.70 3hqp n ASP 482 Ca 0.03 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.43 3hqp n ASP 482 Cb 0.55 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 3hqp n ASP 482 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3hqp h HIS 483 N -0.02 0.00 0.03 2.11 3.86 -2.00 -3.38 115.15 115.75 3hqp h HIS 483 Ca 0.00 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.86 3hqp h HIS 483 Cb 0.00 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 3hqp h HIS 483 CO 0.00 0.01 -1.94 1.17 0.86 0.00 0.00 177.93 178.03 3hqp n LYS 484 N -2.69 0.64 -2.05 2.45 4.81 -1.26 -4.98 118.16 115.08 3hqp n LYS 484 Ca -0.00 0.36 -0.42 0.00 -0.87 0.00 0.00 58.31 57.37 3hqp n LYS 484 Cb 0.56 -1.64 -0.03 0.00 0.02 0.00 0.00 35.03 33.93 3hqp n LYS 484 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3hqp s VAL 485 N -2.47 3.23 -0.06 3.15 1.01 -1.26 -5.02 120.40 118.97 3hqp s VAL 485 Ca -0.30 0.73 0.05 0.00 0.00 0.00 0.00 61.98 62.45 3hqp s VAL 485 Cb 0.09 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 3hqp s VAL 485 CO 0.62 0.01 -0.21 -0.54 0.00 0.00 0.00 175.10 174.97 3hqp s LYS 486 N 2.21 2.63 0.00 2.72 3.01 -1.26 -4.69 119.74 124.36 3hqp s LYS 486 Ca 0.69 -0.84 0.00 0.00 -1.01 0.00 0.00 55.97 54.81 3hqp s LYS 486 Cb -0.37 -2.26 0.00 0.00 -1.01 0.00 0.00 37.83 34.19 3hqp s LYS 486 CO 0.30 0.42 0.00 0.41 0.51 0.00 0.00 175.35 176.99 3hqp n GLY 487 N 2.87 2.55 3.36 -3.33 0.00 -1.26 -5.04 105.19 104.35 3hqp n GLY 487 Ca -0.17 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.78 0.75 -0.26 1.61 -0.85 -1.26 -5.09 117.35 111.47 3hqp s TYR 488 Ca 0.00 -1.05 -0.15 0.00 -0.52 0.00 0.00 57.07 55.35 3hqp s TYR 488 Cb 0.00 -0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.09 3hqp s TYR 488 CO 0.00 -0.78 0.39 0.00 -1.52 0.00 0.00 175.55 173.64 3hqp s ALA 489 N -4.08 3.57 -0.31 9.51 0.00 -1.26 -4.32 121.76 124.86 3hqp s ALA 489 Ca 0.29 -0.76 0.08 0.00 0.00 0.00 0.00 51.96 51.58 3hqp s ALA 489 Cb 0.04 -2.71 0.20 0.00 0.00 0.00 0.00 23.12 20.65 3hqp s ALA 489 CO 0.09 -0.61 1.15 0.27 0.00 0.00 0.00 175.76 176.66 3hqp n ASN 490 N 5.22 2.55 -3.83 0.00 2.04 -1.18 -4.39 115.26 115.67 3hqp n ASN 490 Ca -0.08 -2.29 -0.13 0.00 -0.44 0.00 0.00 54.58 51.63 3hqp n ASN 490 Cb 0.51 -0.20 -0.15 0.00 -2.53 0.00 0.00 39.78 37.41 3hqp n ASN 490 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 3hqp s GLN 491 N -1.51 -0.01 0.13 -3.83 0.74 -0.75 -4.91 119.66 109.52 3hqp s GLN 491 Ca 0.17 0.09 0.10 0.00 0.05 0.00 0.00 55.36 55.76 3hqp s GLN 491 Cb 0.12 -0.10 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 3hqp s GLN 491 CO 0.06 -0.07 -0.21 0.95 -0.55 0.00 0.00 175.29 175.47 3hqp s THR 492 N 0.45 2.62 -0.10 -0.34 -4.23 -1.26 -2.52 115.64 110.25 3hqp s THR 492 Ca -0.04 -1.62 -0.09 0.00 -1.18 0.00 0.00 61.69 58.76 3hqp s THR 492 Cb -0.05 -2.19 0.03 0.00 1.34 0.00 0.00 72.50 71.62 3hqp s THR 492 CO -0.01 0.08 0.27 0.00 -0.54 0.00 0.00 174.62 174.42 3hqp s ARG 493 N -2.15 0.31 -0.35 3.99 1.70 -0.26 -4.98 118.95 117.21 3hqp s ARG 493 Ca 0.17 0.38 -0.11 0.00 -0.47 0.00 0.00 55.73 55.70 3hqp s ARG 493 Cb -0.10 0.14 0.01 0.00 -0.57 0.00 0.00 34.95 34.43 3hqp s ARG 493 CO 0.09 -0.04 0.20 0.42 -1.08 0.00 0.00 175.30 174.89 3hqp s ILE 494 N 0.19 4.73 0.06 4.99 1.01 -1.26 0.16 121.20 131.07 3hqp s ILE 494 Ca -0.00 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.11 3hqp s ILE 494 Cb -0.02 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 3hqp s ILE 494 CO -0.00 -0.12 -0.22 -1.48 0.00 0.00 0.00 174.94 173.13 3hqp s LEU 495 N 1.60 2.45 -0.22 2.97 0.05 0.83 -4.92 118.68 121.44 3hqp s LEU 495 Ca 0.04 -0.54 -0.27 0.00 0.05 0.00 0.00 54.13 53.41 3hqp s LEU 495 Cb -0.18 -1.41 -0.00 0.00 -2.05 0.00 0.00 46.19 42.55 3hqp s LEU 495 CO 0.07 0.24 0.92 -0.22 -0.55 0.00 0.00 176.35 176.81 3hqp s LEU 496 N -1.55 4.10 0.20 1.48 2.96 -1.26 -0.21 118.68 124.40 3hqp s LEU 496 Ca 0.14 1.21 -0.28 0.00 -0.22 0.00 0.00 54.13 54.98 3hqp s LEU 496 Cb -0.10 -3.35 -0.08 0.00 0.50 0.00 0.00 46.19 43.15 3hqp s LEU 496 CO 0.05 -0.56 0.86 0.68 -1.32 0.00 0.00 176.35 176.06 3hqp s VAL 497 N 2.88 4.23 -2.35 1.68 -7.23 -0.45 -4.91 120.40 114.24 3hqp s VAL 497 Ca 0.39 1.91 0.29 0.00 -1.81 0.00 0.00 61.98 62.76 3hqp s VAL 497 Cb -0.15 -4.24 0.66 0.00 0.56 0.00 0.00 36.38 33.20 3hqp s VAL 497 CO 0.08 0.50 1.89 -0.62 -0.31 0.00 0.00 175.10 176.64