#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqj n ASP 6 N 0.00 2.51 0.00 1.62 5.68 -1.26 -4.39 116.55 120.71 1gqj n ASP 6 Ca 0.00 -2.48 0.00 0.00 -0.50 0.00 0.00 54.79 51.81 1gqj n ASP 6 Cb 0.00 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 1gqj n ASP 6 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gqj n GLY 7 N -0.64 0.87 0.30 6.12 0.00 -1.26 -3.65 105.19 106.93 1gqj n GLY 7 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 1gqj n GLY 7 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1gqj h TYR 8 N 0.00 0.62 0.00 1.61 3.20 -1.88 -2.06 116.97 118.46 1gqj h TYR 8 Ca 0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1gqj h TYR 8 Cb 0.00 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.08 1gqj h TYR 8 CO 0.00 0.49 -0.05 -0.25 -1.64 0.00 0.00 178.16 176.71 1gqj n ASP 9 N -4.36 0.61 0.00 -2.11 8.00 -1.26 -4.96 116.55 112.47 1gqj n ASP 9 Ca 0.03 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1gqj n ASP 9 Cb 0.15 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 1gqj n ASP 9 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1gqj n MET 10 N -2.06 0.00 -0.02 -1.24 2.81 -0.78 -1.31 117.12 114.53 1gqj n MET 10 Ca 0.06 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.08 1gqj n MET 10 Cb 0.41 0.00 0.43 0.00 -0.71 0.00 0.00 33.22 33.35 1gqj n MET 10 CO 0.00 0.00 0.00 -2.67 1.51 0.00 0.00 175.97 174.81 1gqj n TRP 11 N 14.00 0.06 -2.13 2.03 2.14 -1.26 -4.23 117.44 128.05 1gqj n TRP 11 Ca 0.00 -0.03 -0.39 0.00 2.07 0.00 0.00 57.50 59.15 1gqj n TRP 11 Cb 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1gqj n TRP 11 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1gqj n LEU 12 N 0.40 7.62 -4.45 5.67 4.77 -0.42 -4.65 117.00 125.93 1gqj n LEU 12 Ca 0.18 -4.94 -0.44 0.00 -0.03 0.00 0.00 56.01 50.78 1gqj n LEU 12 Cb 0.39 -1.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.16 1gqj n LEU 12 CO 0.16 2.00 0.47 -0.13 -1.33 0.00 0.00 177.39 178.56 1gqj s ARG 13 N -2.41 3.15 -1.15 3.23 0.52 -1.26 -4.89 118.95 116.13 1gqj s ARG 13 Ca 0.50 -0.83 -0.07 0.00 -0.52 0.00 0.00 55.73 54.81 1gqj s ARG 13 Cb 0.23 -4.13 0.25 0.00 0.52 0.00 0.00 34.95 31.82 1gqj s ARG 13 CO -0.14 -1.39 1.52 0.66 0.02 0.00 0.00 175.30 175.97 1gqj n TYR 14 N 6.61 3.23 -4.07 -0.53 4.01 -1.26 -4.95 117.16 120.21 1gqj n TYR 14 Ca -0.05 -2.94 -0.31 0.00 -0.16 0.00 0.00 57.90 54.44 1gqj n TYR 14 Cb 0.45 -1.61 -0.07 0.00 -0.31 0.00 0.00 39.34 37.80 1gqj n TYR 14 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1gqj s GLN 15 N -1.26 2.84 0.31 -0.72 -0.21 -1.26 -3.83 119.66 115.52 1gqj s GLN 15 Ca 0.34 -0.70 -0.29 0.00 0.02 0.00 0.00 55.36 54.73 1gqj s GLN 15 Cb 0.03 -2.71 -0.12 0.00 1.00 0.00 0.00 33.01 31.21 1gqj s GLN 15 CO 0.04 0.57 1.37 -0.35 -2.12 0.00 0.00 175.29 174.80 1gqj n PRO 16 N 0.52 2.20 -1.70 2.91 -0.04 -0.93 -4.06 135.00 133.90 1gqj n PRO 16 Ca -0.09 0.78 -0.43 0.00 -0.04 0.00 0.00 63.50 63.72 1gqj n PRO 16 Cb 0.52 -2.41 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 1gqj n PRO 16 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1gqj n ILE 17 N 1.04 0.15 0.00 0.52 2.08 -0.35 -4.87 119.36 117.93 1gqj n ILE 17 Ca 0.07 -0.03 -0.12 0.00 0.56 0.00 0.00 62.75 63.23 1gqj n ILE 17 Cb 0.35 -2.00 -0.00 0.00 -0.75 0.00 0.00 39.64 37.24 1gqj n ILE 17 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1gqj h ALA 18 N 7.40 0.52 -1.62 -1.39 0.00 -1.92 -3.41 119.26 118.84 1gqj h ALA 18 Ca -0.45 -0.57 -0.55 0.00 0.00 0.00 0.00 54.91 53.34 1gqj h ALA 18 Cb 1.21 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1gqj h ALA 18 CO 0.95 0.71 1.11 0.34 0.00 0.00 0.00 179.25 182.36 1gqj s ASP 19 N -7.00 6.13 0.38 0.00 -1.08 -1.26 -4.90 116.67 108.93 1gqj s ASP 19 Ca -0.08 0.38 0.07 0.00 -0.52 0.00 0.00 52.55 52.39 1gqj s ASP 19 Cb 0.10 -2.54 0.78 0.00 -1.46 0.00 0.00 42.92 39.80 1gqj s ASP 19 CO 0.86 -1.69 1.98 1.56 0.52 0.00 0.00 175.17 178.40 1gqj h GLN 20 N 11.16 0.68 -0.23 4.34 1.08 -1.99 0.26 115.11 130.40 1gqj h GLN 20 Ca -0.27 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 56.85 1gqj h GLN 20 Cb 1.10 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 1gqj h GLN 20 CO 1.16 0.45 0.00 1.15 -0.95 0.00 0.00 178.83 180.65 1gqj h THR 21 N 0.70 1.25 -0.78 -0.54 2.02 -1.96 -2.42 112.91 111.18 1gqj h THR 21 Ca 0.28 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1gqj h THR 21 Cb 0.22 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1gqj h THR 21 CO -0.09 0.27 0.37 0.25 0.37 0.00 0.00 175.52 176.70 1gqj h LEU 22 N 0.19 1.03 -0.72 2.58 5.85 -1.86 -2.48 115.31 119.90 1gqj h LEU 22 Ca 0.07 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1gqj h LEU 22 Cb 0.40 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1gqj h LEU 22 CO 0.01 0.88 0.44 0.25 -0.34 0.00 0.00 178.44 179.68 1gqj h LEU 23 N 1.11 0.70 -0.82 2.25 5.85 -0.37 -2.15 115.31 121.89 1gqj h LEU 23 Ca 0.27 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1gqj h LEU 23 Cb 0.13 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1gqj h LEU 23 CO -0.03 0.47 0.52 0.11 -0.34 0.00 0.00 178.44 179.17 1gqj h LYS 24 N 0.84 1.10 -0.24 1.25 1.57 -1.27 -0.46 116.57 119.36 1gqj h LYS 24 Ca 0.30 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1gqj h LYS 24 Cb 0.08 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1gqj h LYS 24 CO -0.13 0.75 0.11 1.15 -0.57 0.00 0.00 179.45 180.76 1gqj h THR 25 N 1.12 0.97 -0.81 -0.16 2.02 -0.96 -1.10 112.91 114.00 1gqj h THR 25 Ca 0.30 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 1gqj h THR 25 Cb -0.08 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1gqj h THR 25 CO -0.06 0.04 0.42 1.88 0.37 0.00 0.00 175.52 178.17 1gqj h TYR 26 N 0.23 1.14 -0.70 3.16 0.05 -1.00 -2.04 116.97 117.81 1gqj h TYR 26 Ca 0.10 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.87 1gqj h TYR 26 Cb 0.04 -0.36 -0.04 0.00 1.01 0.00 0.00 36.73 37.39 1gqj h TYR 26 CO -0.10 0.81 0.46 1.96 -1.05 0.00 0.00 178.16 180.24 1gqj h GLN 27 N 1.13 0.82 -0.07 4.88 4.20 -0.78 0.15 115.11 125.44 1gqj h GLN 27 Ca 0.28 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.76 1gqj h GLN 27 Cb 0.07 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1gqj h GLN 27 CO -0.04 0.54 -0.72 0.87 -0.67 0.00 0.00 178.83 178.81 1gqj h LYS 28 N 0.84 0.38 -0.07 1.46 1.79 -0.91 -3.35 116.57 116.73 1gqj h LYS 28 Ca 0.28 -0.31 -0.11 0.00 -2.18 0.00 0.00 60.65 58.33 1gqj h LYS 28 Cb 0.07 0.07 0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1gqj h LYS 28 CO -0.08 0.95 -0.38 1.96 -1.08 0.00 0.00 179.45 180.82 1gqj h GLN 29 N 0.26 0.38 -4.32 3.15 4.20 -0.79 -3.42 115.11 114.57 1gqj h GLN 29 Ca -0.03 -0.32 -0.68 0.00 0.06 0.00 0.00 58.65 57.69 1gqj h GLN 29 Cb 1.30 0.07 -0.37 0.00 0.30 0.00 0.00 27.48 28.77 1gqj h GLN 29 CO 0.12 0.96 -0.59 0.42 -0.67 0.00 0.00 178.83 179.07 1gqj s ILE 30 N -3.58 2.93 -0.05 2.54 -1.09 0.47 -4.13 121.20 118.29 1gqj s ILE 30 Ca -0.14 -2.41 0.15 0.00 -2.23 0.00 0.00 60.65 56.03 1gqj s ILE 30 Cb 0.04 -3.04 -0.23 0.00 -1.58 0.00 0.00 42.46 37.65 1gqj s ILE 30 CO 0.79 -0.70 0.27 0.54 -1.23 0.00 0.00 174.94 174.62 1gqj n ARG 31 N 4.18 0.75 -4.04 2.79 1.74 0.23 -4.71 116.66 117.60 1gqj n ARG 31 Ca 0.02 -0.11 -0.08 0.00 -0.77 0.00 0.00 57.85 56.91 1gqj n ARG 31 Cb 0.40 -1.37 -0.10 0.00 -1.02 0.00 0.00 32.46 30.37 1gqj n ARG 31 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1gqj s HIS 32 N -2.92 0.42 -0.23 -1.55 3.76 -1.06 -4.98 115.29 108.74 1gqj s HIS 32 Ca -0.06 -0.89 0.02 0.00 -0.15 0.00 0.00 55.06 53.98 1gqj s HIS 32 Cb 0.09 -0.31 0.05 0.00 1.11 0.00 0.00 32.58 33.51 1gqj s HIS 32 CO 0.64 -0.35 -0.12 -1.17 -0.85 0.00 0.00 174.74 172.90 1gqj s LEU 33 N -2.55 2.84 -0.31 0.89 1.98 -1.26 0.00 118.68 120.28 1gqj s LEU 33 Ca 0.01 -1.12 -0.09 0.00 -2.89 0.00 0.00 54.13 50.03 1gqj s LEU 33 Cb 0.03 -1.42 -0.01 0.00 0.66 0.00 0.00 46.19 45.46 1gqj s LEU 33 CO -0.08 -0.15 0.14 -2.28 -1.89 0.00 0.00 176.35 172.09 1gqj s HIS 34 N 1.24 3.17 -0.17 5.38 5.65 0.73 -0.36 115.29 130.93 1gqj s HIS 34 Ca -0.04 -0.59 -0.03 0.00 0.25 0.00 0.00 55.06 54.64 1gqj s HIS 34 Cb -0.18 -2.34 0.05 0.00 -1.18 0.00 0.00 32.58 28.93 1gqj s HIS 34 CO -0.07 -0.46 0.04 0.08 -0.65 0.00 0.00 174.74 173.68 1gqj s VAL 35 N 1.60 0.39 -0.01 0.89 1.01 -0.84 -1.82 120.40 121.62 1gqj s VAL 35 Ca 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1gqj s VAL 35 Cb -0.17 -0.86 -0.27 0.00 0.00 0.00 0.00 36.38 35.08 1gqj s VAL 35 CO 0.06 -0.13 0.78 0.00 0.00 0.00 0.00 175.10 175.81 1gqj h ALA 36 N 8.29 0.35 -2.30 5.51 0.00 -1.83 -3.30 119.26 125.97 1gqj h ALA 36 Ca -0.17 -1.18 -0.50 0.00 0.00 0.00 0.00 54.91 53.06 1gqj h ALA 36 Cb 1.13 0.35 0.15 0.00 0.00 0.00 0.00 17.79 19.41 1gqj h ALA 36 CO 0.31 1.21 0.27 0.20 0.00 0.00 0.00 179.25 181.24 1gqj s GLY 37 N -5.04 1.66 0.00 0.00 0.00 -1.24 -5.00 107.32 97.70 1gqj s GLY 37 Ca -0.10 0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1gqj s GLY 37 CO 0.84 0.65 0.82 2.09 0.00 0.00 0.00 173.10 177.50 1gqj n ASP 38 N -3.82 0.00 -4.76 1.64 5.75 -1.26 -4.77 116.55 109.32 1gqj n ASP 38 Ca 0.09 -1.64 -0.32 0.00 -0.01 0.00 0.00 54.79 52.91 1gqj n ASP 38 Cb 0.53 -0.13 0.08 0.00 -1.03 0.00 0.00 41.12 40.58 1gqj n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1gqj s SER 39 N -0.64 4.64 0.27 -1.12 1.04 -1.26 -4.72 113.70 111.92 1gqj s SER 39 Ca 0.00 1.90 -0.00 0.00 0.48 0.00 0.00 55.95 58.33 1gqj s SER 39 Cb 0.00 -2.53 0.63 0.00 0.10 0.00 0.00 66.02 64.21 1gqj s SER 39 CO -0.00 -1.94 1.67 -0.65 0.98 0.00 0.00 173.24 173.30 1gqj h PRO 40 N -0.75 0.27 -0.33 4.02 0.11 -1.98 0.31 132.00 133.64 1gqj h PRO 40 Ca -0.45 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1gqj h PRO 40 Cb 1.24 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1gqj h PRO 40 CO 0.52 0.18 -0.22 1.15 -0.21 0.00 0.00 178.00 179.42 1gqj h THR 41 N 0.28 1.29 -0.65 -1.15 2.02 -1.92 0.07 112.91 112.85 1gqj h THR 41 Ca 0.51 -1.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 1gqj h THR 41 Cb 0.95 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 1gqj h THR 41 CO -0.58 0.44 0.26 0.40 0.37 0.00 0.00 175.52 176.42 1gqj h ILE 42 N 0.51 1.24 -0.95 3.11 1.08 -1.63 -1.29 117.51 119.56 1gqj h ILE 42 Ca 0.07 -0.74 0.08 0.00 -0.39 0.00 0.00 64.86 63.88 1gqj h ILE 42 Cb 0.77 0.51 -0.07 0.00 -3.07 0.00 0.00 36.82 34.96 1gqj h ILE 42 CO 0.06 0.29 0.62 0.78 -0.69 0.00 0.00 178.15 179.21 1gqj h ASN 43 N 0.91 0.94 -0.34 1.72 2.35 -0.27 0.74 115.58 121.63 1gqj h ASN 43 Ca 0.22 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.90 1gqj h ASN 43 Cb 0.20 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1gqj h ASN 43 CO -0.02 0.58 -0.08 0.00 -1.65 0.00 0.00 177.43 176.26 1gqj h ALA 44 N 1.50 1.06 -0.19 -0.83 0.00 -0.55 -0.49 119.26 119.75 1gqj h ALA 44 Ca 0.43 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1gqj h ALA 44 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1gqj h ALA 44 CO -0.18 0.58 0.02 0.00 0.00 0.00 0.00 179.25 179.67 1gqj h ALA 45 N 1.23 0.25 -0.55 0.00 0.00 -0.39 -1.50 119.26 118.29 1gqj h ALA 45 Ca 0.12 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1gqj h ALA 45 Cb 0.53 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1gqj h ALA 45 CO 0.03 -0.06 0.36 0.00 0.00 0.00 0.00 179.25 179.58 1gqj h ALA 46 N 0.80 0.70 -0.81 0.00 0.00 -0.82 -0.70 119.26 118.44 1gqj h ALA 46 Ca 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1gqj h ALA 46 Cb 0.35 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1gqj h ALA 46 CO 0.01 0.11 0.54 0.00 0.00 0.00 0.00 179.25 179.91 1gqj h ALA 47 N 1.21 1.03 -0.27 0.00 0.00 -1.04 0.46 119.26 120.65 1gqj h ALA 47 Ca 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1gqj h ALA 47 Cb -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1gqj h ALA 47 CO -0.06 0.44 0.03 1.49 0.00 0.00 0.00 179.25 181.15 1gqj h GLU 48 N 1.10 0.45 -0.83 0.00 4.57 -0.82 -2.13 114.58 116.91 1gqj h GLU 48 Ca 0.30 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1gqj h GLU 48 Cb -0.12 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.38 1gqj h GLU 48 CO -0.07 0.59 0.55 -0.07 -1.18 0.00 0.00 179.01 178.83 1gqj h LEU 49 N 0.25 0.96 -0.04 1.64 3.38 -1.01 0.34 115.31 120.83 1gqj h LEU 49 Ca 0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1gqj h LEU 49 Cb 0.36 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1gqj h LEU 49 CO 0.01 0.70 0.02 -0.61 0.09 0.00 0.00 178.44 178.66 1gqj h GLN 50 N 1.13 0.06 -0.40 1.13 4.15 -0.79 0.59 115.11 120.97 1gqj h GLN 50 Ca 0.31 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.57 1gqj h GLN 50 Cb -0.12 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1gqj h GLN 50 CO -0.06 0.09 -0.35 0.07 -1.93 0.00 0.00 178.83 176.64 1gqj h ARG 51 N 0.01 0.94 0.20 1.69 0.11 -1.30 -2.31 114.38 113.73 1gqj h ARG 51 Ca 0.01 -0.47 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 1gqj h ARG 51 Cb 0.05 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.13 1gqj h ARG 51 CO -0.00 1.13 -0.10 0.78 0.10 0.00 0.00 179.97 181.88 1gqj h GLY 52 N 0.81 -0.28 1.20 0.08 0.00 -0.13 -2.18 103.07 102.56 1gqj h GLY 52 Ca 0.07 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 1gqj h GLY 52 CO 0.09 -0.10 0.28 1.41 0.00 0.00 0.00 176.54 178.21 1gqj h LEU 53 N -0.71 0.94 -0.76 3.11 3.38 0.06 -1.16 115.31 120.17 1gqj h LEU 53 Ca -0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1gqj h LEU 53 Cb 0.49 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1gqj h LEU 53 CO 0.05 0.83 0.41 0.28 0.09 0.00 0.00 178.44 180.10 1gqj h SER 54 N 1.00 0.96 0.12 -0.43 0.02 -1.46 0.61 113.55 114.37 1gqj h SER 54 Ca 0.23 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1gqj h SER 54 Cb 0.19 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1gqj h SER 54 CO -0.02 0.78 -0.06 1.23 -1.14 0.00 0.00 176.83 177.63 1gqj h GLY 55 N 1.05 -0.16 1.16 -3.77 0.00 -1.25 -1.81 103.07 98.28 1gqj h GLY 55 Ca 0.27 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.63 1gqj h GLY 55 CO -0.04 -0.06 0.35 1.41 0.00 0.00 0.00 176.54 178.20 1gqj h LEU 56 N -0.63 0.98 -1.93 3.11 3.38 -1.22 -2.43 115.31 116.58 1gqj h LEU 56 Ca -0.02 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1gqj h LEU 56 Cb 0.49 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1gqj h LEU 56 CO 0.03 0.84 0.00 0.18 0.09 0.00 0.00 178.44 179.57 1gqj n LEU 57 N -4.32 2.94 -3.91 1.67 4.32 0.20 -1.21 117.00 116.70 1gqj n LEU 57 Ca 0.07 -1.11 -0.27 0.00 -0.02 0.00 0.00 56.01 54.69 1gqj n LEU 57 Cb 0.14 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1gqj n LEU 57 CO 0.39 0.55 -0.08 -3.20 -1.22 0.00 0.00 177.39 173.84 1gqj n ASN 58 N 1.23 -1.98 -3.52 -1.43 4.05 -0.72 -4.94 115.26 107.95 1gqj n ASN 58 Ca 0.17 -0.90 -0.13 0.00 0.45 0.00 0.00 54.58 54.16 1gqj n ASN 58 Cb 0.56 -3.50 -0.04 0.00 1.23 0.00 0.00 39.78 38.03 1gqj n ASN 58 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 177.26 172.62 1gqj s LYS 59 N -6.45 0.92 -0.33 1.20 -2.85 -0.97 -5.06 119.74 106.19 1gqj s LYS 59 Ca 0.25 -0.00 -0.29 0.00 -1.00 0.00 0.00 55.97 54.93 1gqj s LYS 59 Cb -0.13 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 1gqj s LYS 59 CO 0.86 -0.33 1.38 -2.14 0.10 0.00 0.00 175.35 175.21 1gqj s PRO 60 N -1.97 3.78 -0.23 1.78 0.02 -1.26 -4.20 135.00 132.92 1gqj s PRO 60 Ca -0.03 1.18 -0.03 0.00 0.02 0.00 0.00 61.00 62.14 1gqj s PRO 60 Cb -0.00 -3.95 0.00 0.00 0.02 0.00 0.00 34.50 30.57 1gqj s PRO 60 CO 0.00 -1.30 -0.06 0.42 -0.33 0.00 0.00 177.00 175.73 1gqj s ILE 61 N 4.85 3.14 -0.09 2.83 -1.09 -1.26 -5.02 121.20 124.55 1gqj s ILE 61 Ca 0.60 -0.69 0.02 0.00 -2.23 0.00 0.00 60.65 58.34 1gqj s ILE 61 Cb -0.16 -2.48 -0.02 0.00 -1.58 0.00 0.00 42.46 38.22 1gqj s ILE 61 CO 0.27 0.35 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.50 1gqj s VAL 62 N 1.42 2.99 0.07 2.92 1.01 -1.26 -4.66 120.40 122.89 1gqj s VAL 62 Ca 0.04 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 1gqj s VAL 62 Cb -0.15 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 1gqj s VAL 62 CO -0.04 0.55 1.31 0.00 0.00 0.00 0.00 175.10 176.93 1gqj s ALA 63 N -0.10 3.51 0.01 5.51 0.00 -1.26 -4.19 121.76 125.23 1gqj s ALA 63 Ca -0.02 0.96 0.01 0.00 0.00 0.00 0.00 51.96 52.90 1gqj s ALA 63 Cb -0.14 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1gqj s ALA 63 CO 0.04 -0.61 -0.03 1.03 0.00 0.00 0.00 175.76 176.18 1gqj s ARG 64 N 1.38 0.25 -0.78 0.00 0.52 0.51 -4.94 118.95 115.90 1gqj s ARG 64 Ca 0.62 -0.26 -0.15 0.00 -0.52 0.00 0.00 55.73 55.41 1gqj s ARG 64 Cb -0.33 -0.14 0.19 0.00 0.52 0.00 0.00 34.95 35.19 1gqj s ARG 64 CO 0.29 0.03 0.77 0.34 0.02 0.00 0.00 175.30 176.75 1gqj s ASP 65 N -0.51 6.62 0.23 0.23 2.15 -1.24 -1.99 116.67 122.16 1gqj s ASP 65 Ca -0.04 -2.38 -0.02 0.00 0.43 0.00 0.00 52.55 50.54 1gqj s ASP 65 Cb -0.04 -2.24 -0.03 0.00 -0.30 0.00 0.00 42.92 40.31 1gqj s ASP 65 CO -0.00 -0.72 0.23 -1.83 -0.17 0.00 0.00 175.17 172.68 1gqj s GLU 66 N 0.90 1.37 0.13 4.34 -1.05 -1.26 -5.07 118.70 118.06 1gqj s GLU 66 Ca 0.17 -1.61 -0.35 0.00 -0.15 0.00 0.00 54.97 53.03 1gqj s GLU 66 Cb -0.13 0.32 -0.16 0.00 -0.44 0.00 0.00 34.13 33.72 1gqj s GLU 66 CO -0.06 -0.49 1.35 1.63 0.95 0.00 0.00 175.26 178.64 1gqj n LYS 67 N -0.35 1.40 -1.68 -4.83 4.76 -1.26 -4.78 118.16 111.41 1gqj n LYS 67 Ca 0.02 0.50 -0.45 0.00 -2.87 0.00 0.00 58.31 55.51 1gqj n LYS 67 Cb 0.65 -2.14 -0.04 0.00 -1.84 0.00 0.00 35.03 31.66 1gqj n LYS 67 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1gqj n LEU 68 N 2.55 3.45 -4.89 -0.35 7.94 -1.26 -4.99 117.00 119.46 1gqj n LEU 68 Ca 0.17 1.06 -0.22 0.00 -1.11 0.00 0.00 56.01 55.91 1gqj n LEU 68 Cb 0.23 -1.47 -0.03 0.00 0.53 0.00 0.00 43.42 42.67 1gqj n LEU 68 CO 0.62 -0.10 -0.11 -0.54 -1.11 0.00 0.00 177.39 176.15 1gqj s LYS 69 N 1.42 3.17 0.44 1.96 1.02 -1.26 -5.06 119.74 121.43 1gqj s LYS 69 Ca 0.79 -0.89 -0.25 0.00 0.02 0.00 0.00 55.97 55.65 1gqj s LYS 69 Cb -0.62 -2.73 -0.08 0.00 -0.52 0.00 0.00 37.83 33.89 1gqj s LYS 69 CO 0.37 0.43 1.29 0.34 -0.92 0.00 0.00 175.35 176.86 1gqj s ASP 70 N -3.82 6.10 -0.98 2.83 2.15 -1.26 -3.89 116.67 117.79 1gqj s ASP 70 Ca 0.33 2.61 -0.04 0.00 0.43 0.00 0.00 52.55 55.88 1gqj s ASP 70 Cb -0.09 -2.63 -0.05 0.00 -0.30 0.00 0.00 42.92 39.85 1gqj s ASP 70 CO 0.27 -0.99 0.85 -1.22 -0.17 0.00 0.00 175.17 173.90 1gqj n TYR 71 N -0.19 -2.19 -4.33 -5.34 4.01 -0.20 -4.74 117.16 104.17 1gqj n TYR 71 Ca 0.06 0.79 -0.26 0.00 -0.16 0.00 0.00 57.90 58.33 1gqj n TYR 71 Cb 0.45 -4.13 -0.10 0.00 -0.31 0.00 0.00 39.34 35.25 1gqj n TYR 71 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1gqj s SER 72 N -3.51 4.04 -0.26 7.72 0.01 -0.94 0.77 113.70 121.53 1gqj s SER 72 Ca 0.34 -0.68 -0.09 0.00 1.31 0.00 0.00 55.95 56.83 1gqj s SER 72 Cb -0.04 -0.60 -0.04 0.00 0.21 0.00 0.00 66.02 65.55 1gqj s SER 72 CO 0.67 0.10 0.14 -0.22 0.41 0.00 0.00 173.24 174.33 1gqj s LEU 73 N -2.90 3.79 -0.16 2.44 2.96 0.10 -0.28 118.68 124.63 1gqj s LEU 73 Ca 0.25 -0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1gqj s LEU 73 Cb -0.08 -2.04 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 1gqj s LEU 73 CO 0.14 -0.04 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.30 1gqj s VAL 74 N 1.65 2.67 0.14 1.68 1.01 -0.42 -0.20 120.40 126.94 1gqj s VAL 74 Ca 0.07 -0.76 0.11 0.00 0.00 0.00 0.00 61.98 61.39 1gqj s VAL 74 Cb -0.15 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1gqj s VAL 74 CO 0.08 0.51 -0.25 0.27 0.00 0.00 0.00 175.10 175.71 1gqj s ILE 75 N 0.92 2.36 -5.00 2.22 -4.36 -0.76 -0.81 121.20 115.76 1gqj s ILE 75 Ca -0.03 -1.80 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 1gqj s ILE 75 Cb -0.15 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.49 1gqj s ILE 75 CO -0.02 0.04 0.00 0.61 0.24 0.00 0.00 174.94 175.81 1gqj n GLY 76 N 0.73 -1.28 3.69 6.27 0.00 -1.12 -4.44 105.19 109.03 1gqj n GLY 76 Ca -0.16 -1.50 -0.23 0.00 0.00 0.00 0.00 46.02 44.13 1gqj n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gqj s THR 77 N -2.06 3.21 0.43 2.61 -4.23 -1.26 -2.43 115.64 111.92 1gqj s THR 77 Ca 0.00 -1.81 0.18 0.00 -1.18 0.00 0.00 61.69 58.88 1gqj s THR 77 Cb 0.00 -2.91 0.38 0.00 1.34 0.00 0.00 72.50 71.30 1gqj s THR 77 CO 0.00 -0.27 1.89 -0.65 -0.54 0.00 0.00 174.62 175.04 1gqj h PRO 78 N 1.72 0.36 -0.19 3.99 0.11 -1.81 -0.59 132.00 135.59 1gqj h PRO 78 Ca -0.44 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 1gqj h PRO 78 Cb 1.25 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1gqj h PRO 78 CO 0.62 0.24 -0.40 -0.44 -0.21 0.00 0.00 178.00 177.81 1gqj h ASP 79 N 0.37 0.46 -0.01 -2.05 3.32 -1.91 -3.35 116.42 113.25 1gqj h ASP 79 Ca 0.42 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1gqj h ASP 79 Cb 1.08 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1gqj h ASP 79 CO -0.14 0.81 -0.31 -0.46 -1.72 0.00 0.00 179.24 177.42 1gqj n ASN 80 N -4.03 1.22 -3.64 6.45 0.23 -0.84 -4.89 115.26 109.75 1gqj n ASN 80 Ca -0.01 -1.11 -0.29 0.00 -0.53 0.00 0.00 54.58 52.64 1gqj n ASN 80 Cb 0.50 0.56 -0.16 0.00 -2.08 0.00 0.00 39.78 38.60 1gqj n ASN 80 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1gqj s SER 81 N -1.65 3.40 0.37 0.53 0.15 -0.29 -3.59 113.70 112.62 1gqj s SER 81 Ca 0.09 -1.21 0.16 0.00 0.70 0.00 0.00 55.95 55.69 1gqj s SER 81 Cb 0.10 -0.53 1.06 0.00 -1.71 0.00 0.00 66.02 64.93 1gqj s SER 81 CO 0.34 -0.39 1.74 -0.65 1.20 0.00 0.00 173.24 175.47 1gqj h PRO 82 N 8.29 0.41 -0.28 5.44 0.11 -1.85 -1.90 132.00 142.23 1gqj h PRO 82 Ca -0.17 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.92 1gqj h PRO 82 Cb 1.05 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1gqj h PRO 82 CO 0.41 0.27 0.18 -0.07 -0.21 0.00 0.00 178.00 178.58 1gqj h LEU 83 N 0.43 0.30 -0.63 2.35 3.38 -1.94 -1.23 115.31 117.96 1gqj h LEU 83 Ca 0.64 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.58 1gqj h LEU 83 Cb 1.51 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.16 1gqj h LEU 83 CO -0.39 0.22 0.31 0.40 0.09 0.00 0.00 178.44 179.06 1gqj h ILE 84 N 0.36 1.22 -0.95 1.22 1.08 -1.69 -2.72 117.51 116.02 1gqj h ILE 84 Ca 0.10 -0.61 0.10 0.00 -0.39 0.00 0.00 64.86 64.07 1gqj h ILE 84 Cb -0.03 0.45 -0.08 0.00 -3.07 0.00 0.00 36.82 34.10 1gqj h ILE 84 CO -0.03 0.25 0.59 0.00 -0.69 0.00 0.00 178.15 178.27 1gqj h ALA 85 N 1.14 1.40 -0.01 1.87 0.00 -1.16 -2.80 119.26 119.69 1gqj h ALA 85 Ca 0.22 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1gqj h ALA 85 Cb 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gqj h ALA 85 CO -0.03 0.23 0.02 0.66 0.00 0.00 0.00 179.25 180.12 1gqj h SER 86 N 0.97 0.00 0.81 0.00 4.64 -0.89 -1.53 113.55 117.54 1gqj h SER 86 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1gqj h SER 86 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1gqj h SER 86 CO -0.25 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.89 1gqj n LEU 87 N -3.63 0.63 -3.95 5.97 4.77 -1.06 -4.92 117.00 114.81 1gqj n LEU 87 Ca -0.03 0.64 -0.33 0.00 -0.03 0.00 0.00 56.01 56.27 1gqj n LEU 87 Cb 0.09 -0.54 -0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1gqj n LEU 87 CO 0.25 -0.48 -0.21 0.59 -1.33 0.00 0.00 177.39 176.21 1gqj n ASN 88 N -2.18 -2.40 0.26 -1.43 5.03 -0.58 -4.86 115.26 109.10 1gqj n ASN 88 Ca 0.03 -1.11 0.11 0.00 0.87 0.00 0.00 54.58 54.47 1gqj n ASN 88 Cb 0.25 -2.63 0.69 0.00 -1.02 0.00 0.00 39.78 37.07 1gqj n ASN 88 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1gqj h LEU 89 N -2.03 0.00 0.00 3.41 3.38 -1.83 -3.47 115.31 114.78 1gqj h LEU 89 Ca -0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1gqj h LEU 89 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1gqj h LEU 89 CO 0.57 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.83 1gqj n GLY 90 N -0.87 3.28 0.37 0.83 0.00 -1.26 -2.76 105.19 104.78 1gqj n GLY 90 Ca -0.02 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 45.99 1gqj n GLY 90 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1gqj h GLU 91 N 0.00 0.52 -0.65 1.61 4.81 -1.98 -1.27 114.58 117.63 1gqj h GLU 91 Ca 0.00 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1gqj h GLU 91 Cb 0.00 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 1gqj h GLU 91 CO 0.00 0.35 0.41 -0.09 -0.73 0.00 0.00 179.01 178.95 1gqj h ARG 92 N 0.54 0.80 0.03 1.92 2.43 -1.92 -0.57 114.38 117.61 1gqj h ARG 92 Ca 0.38 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.33 1gqj h ARG 92 Cb 0.72 -0.18 0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1gqj h ARG 92 CO -0.14 0.53 -0.70 1.25 -1.51 0.00 0.00 179.97 179.39 1gqj h LEU 93 N 0.82 0.56 -1.35 3.80 5.85 -1.55 -3.36 115.31 120.09 1gqj h LEU 93 Ca 0.25 -0.80 0.03 0.00 0.84 0.00 0.00 57.88 58.20 1gqj h LEU 93 Cb -0.02 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1gqj h LEU 93 CO -0.09 1.29 0.46 -0.61 -0.34 0.00 0.00 178.44 179.15 1gqj h GLN 94 N -0.10 0.83 0.00 1.25 4.15 -1.03 -1.97 115.11 118.25 1gqj h GLN 94 Ca -0.10 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 1gqj h GLN 94 Cb 1.43 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.93 1gqj h GLN 94 CO 0.14 0.55 -0.01 0.00 -1.93 0.00 0.00 178.83 177.58 1gqj h ALA 95 N 1.59 1.29 0.00 3.38 0.00 -1.24 -2.28 119.26 122.00 1gqj h ALA 95 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1gqj h ALA 95 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1gqj h ALA 95 CO -0.07 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.46 1gqj n LEU 96 N -3.51 0.00 0.00 0.00 4.32 -0.74 -4.99 117.00 112.09 1gqj n LEU 96 Ca -0.03 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.26 1gqj n LEU 96 Cb 0.09 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 1gqj n LEU 96 CO 0.24 -0.11 0.00 0.61 -1.22 0.00 0.00 177.39 176.91 1gqj n GLY 97 N 0.32 -0.31 0.00 -0.72 0.00 -0.86 -1.69 105.19 101.94 1gqj n GLY 97 Ca 0.09 -1.05 0.14 0.00 0.00 0.00 0.00 46.02 45.20 1gqj n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqj n ALA 98 N 1.57 2.38 -0.16 4.61 0.00 -1.26 -3.79 120.51 123.85 1gqj n ALA 98 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1gqj n ALA 98 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1gqj n ALA 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gqj n GLU 99 N -1.41 2.22 -2.01 0.00 1.02 -1.26 -4.44 120.64 114.76 1gqj n GLU 99 Ca 0.10 -0.09 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 1gqj n GLU 99 Cb 0.29 -0.43 0.15 0.00 -0.02 0.00 0.00 31.44 31.44 1gqj n GLU 99 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1gqj s GLY 100 N -0.34 1.74 0.21 0.62 0.00 -0.68 -4.31 107.32 104.56 1gqj s GLY 100 Ca 0.00 -1.14 -0.22 0.00 0.00 0.00 0.00 44.72 43.36 1gqj s GLY 100 CO 0.00 -0.46 0.65 -2.52 0.00 0.00 0.00 173.10 170.76 1gqj s TYR 101 N -3.73 -0.39 -0.09 1.90 -0.85 -0.49 -4.28 117.35 109.42 1gqj s TYR 101 Ca 0.70 0.08 0.03 0.00 -0.52 0.00 0.00 57.07 57.36 1gqj s TYR 101 Cb -0.06 0.61 0.01 0.00 0.38 0.00 0.00 41.96 42.91 1gqj s TYR 101 CO 0.51 -1.00 -0.17 -1.17 -1.52 0.00 0.00 175.55 172.19 1gqj s LEU 102 N -2.82 1.82 -0.18 -3.49 2.96 0.10 -1.77 118.68 115.31 1gqj s LEU 102 Ca 0.05 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1gqj s LEU 102 Cb -0.03 -1.10 -0.01 0.00 0.50 0.00 0.00 46.19 45.55 1gqj s LEU 102 CO -0.05 0.07 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.21 1gqj s LEU 103 N 0.65 2.80 -0.18 -0.68 1.43 0.17 -0.75 118.68 122.13 1gqj s LEU 103 Ca -0.14 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 52.50 1gqj s LEU 103 Cb -0.16 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.44 1gqj s LEU 103 CO 0.04 0.07 0.42 -0.70 0.23 0.00 0.00 176.35 176.41 1gqj s GLU 104 N 0.96 0.41 -0.13 1.70 2.12 -0.93 -0.00 118.70 122.82 1gqj s GLU 104 Ca -0.01 0.81 -0.29 0.00 0.36 0.00 0.00 54.97 55.83 1gqj s GLU 104 Cb -0.15 -0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.21 1gqj s GLU 104 CO -0.00 -0.16 1.08 -1.14 -0.54 0.00 0.00 175.26 174.50 1gqj s GLN 105 N 1.42 4.35 0.00 4.30 0.74 0.97 -0.86 119.66 130.57 1gqj s GLN 105 Ca -0.10 1.47 0.00 0.00 0.05 0.00 0.00 55.36 56.79 1gqj s GLN 105 Cb -0.08 -3.59 0.00 0.00 1.10 0.00 0.00 33.01 30.43 1gqj s GLN 105 CO -0.13 -0.46 0.00 -2.37 -0.55 0.00 0.00 175.29 171.78 1gqj n THR 106 N 4.84 0.00 -4.45 -0.34 5.66 -0.10 -4.78 114.28 115.12 1gqj n THR 106 Ca 0.11 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.90 1gqj n THR 106 Cb 0.47 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.11 1gqj n THR 106 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1gqj s ARG 107 N 0.38 0.93 -0.10 1.09 1.81 -1.26 -2.01 118.95 119.78 1gqj s ARG 107 Ca 0.00 -0.54 -0.01 0.00 -1.72 0.00 0.00 55.73 53.46 1gqj s ARG 107 Cb 0.00 -0.90 0.03 0.00 -0.45 0.00 0.00 34.95 33.62 1gqj s ARG 107 CO 0.00 0.24 -0.06 0.42 -0.68 0.00 0.00 175.30 175.22 1gqj s ILE 108 N -0.50 0.88 -1.53 1.52 1.01 -0.86 -4.80 121.20 116.92 1gqj s ILE 108 Ca 0.03 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 1gqj s ILE 108 Cb -0.06 -0.93 0.09 0.00 0.01 0.00 0.00 42.46 41.57 1gqj s ILE 108 CO 0.00 0.34 0.99 0.59 0.00 0.00 0.00 174.94 176.86 1gqj n ASN 109 N 4.95 -4.84 0.00 3.58 3.02 -1.26 -0.69 115.26 120.03 1gqj n ASN 109 Ca -0.12 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1gqj n ASN 109 Cb 0.50 -3.90 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 1gqj n ASN 109 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1gqj n LYS 110 N -4.70 0.00 -3.02 3.52 4.76 -1.26 -4.97 118.16 112.49 1gqj n LYS 110 Ca 0.04 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.09 1gqj n LYS 110 Cb 0.53 -1.97 -0.06 0.00 -1.84 0.00 0.00 35.03 31.69 1gqj n LYS 110 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1gqj s ARG 111 N -0.02 4.51 0.00 1.97 3.00 0.14 -5.03 118.95 123.52 1gqj s ARG 111 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 55.73 56.52 1gqj s ARG 111 Cb 0.00 -3.27 -0.06 0.00 0.00 0.00 0.00 34.95 31.62 1gqj s ARG 111 CO 0.00 0.55 1.43 -1.01 0.00 0.00 0.00 175.30 176.27 1gqj s HIS 112 N -1.03 2.80 0.02 -0.53 3.76 -1.26 -2.02 115.29 117.03 1gqj s HIS 112 Ca 0.35 0.77 -0.15 0.00 -0.15 0.00 0.00 55.06 55.88 1gqj s HIS 112 Cb -0.22 -3.69 0.02 0.00 1.11 0.00 0.00 32.58 29.80 1gqj s HIS 112 CO 0.25 -2.59 0.32 0.14 -0.85 0.00 0.00 174.74 172.01 1gqj s VAL 113 N 2.46 0.07 -0.24 -0.90 -7.23 -0.85 -1.03 120.40 112.68 1gqj s VAL 113 Ca 0.65 -0.57 -0.00 0.00 -1.81 0.00 0.00 61.98 60.24 1gqj s VAL 113 Cb -0.32 -0.83 0.03 0.00 0.56 0.00 0.00 36.38 35.82 1gqj s VAL 113 CO 0.27 -0.32 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.95 1gqj s VAL 114 N -2.09 2.59 -0.16 1.32 1.01 0.62 -0.92 120.40 122.77 1gqj s VAL 114 Ca -0.08 -1.10 -0.07 0.00 0.00 0.00 0.00 61.98 60.73 1gqj s VAL 114 Cb -0.02 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1gqj s VAL 114 CO -0.00 0.23 0.09 0.27 0.00 0.00 0.00 175.10 175.69 1gqj s ILE 115 N 1.28 5.03 -1.01 2.22 -4.36 -0.04 -1.30 121.20 123.02 1gqj s ILE 115 Ca -0.00 0.04 -0.05 0.00 -0.26 0.00 0.00 60.65 60.38 1gqj s ILE 115 Cb -0.16 -3.23 0.26 0.00 1.25 0.00 0.00 42.46 40.57 1gqj s ILE 115 CO -0.06 0.52 1.02 0.52 0.24 0.00 0.00 174.94 177.17 1gqj n VAL 116 N 2.95 3.97 -3.53 8.37 0.31 0.01 -2.19 118.33 128.21 1gqj n VAL 116 Ca -0.18 -5.34 -0.32 0.00 -0.01 0.00 0.00 64.34 58.50 1gqj n VAL 116 Cb 0.53 -2.43 -0.05 0.00 -0.91 0.00 0.00 33.84 30.98 1gqj n VAL 116 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gqj s ALA 117 N -1.56 3.67 0.28 3.52 0.00 0.07 -2.81 121.76 124.93 1gqj s ALA 117 Ca 0.30 -0.41 -0.20 0.00 0.00 0.00 0.00 51.96 51.65 1gqj s ALA 117 Cb -0.06 -2.29 0.05 0.00 0.00 0.00 0.00 23.12 20.81 1gqj s ALA 117 CO -0.07 0.58 0.82 0.00 0.00 0.00 0.00 175.76 177.09 1gqj s ALA 118 N -1.75 -1.18 -0.13 0.00 0.00 -1.02 0.01 121.76 117.69 1gqj s ALA 118 Ca 0.44 -0.38 0.17 0.00 0.00 0.00 0.00 51.96 52.20 1gqj s ALA 118 Cb -0.12 0.75 -0.15 0.00 0.00 0.00 0.00 23.12 23.60 1gqj s ALA 118 CO 0.23 -1.03 0.76 0.09 0.00 0.00 0.00 175.76 175.81 1gqj n ASN 119 N -0.86 0.76 -4.57 0.00 3.02 -1.26 -4.10 115.26 108.25 1gqj n ASN 119 Ca -0.06 0.33 -0.26 0.00 -0.03 0.00 0.00 54.58 54.56 1gqj n ASN 119 Cb 0.60 0.32 -0.11 0.00 -0.61 0.00 0.00 39.78 39.98 1gqj n ASN 119 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1gqj s SER 120 N -5.68 3.65 0.18 6.41 1.04 -1.26 -4.88 113.70 113.16 1gqj s SER 120 Ca -0.04 -1.29 -0.07 0.00 0.48 0.00 0.00 55.95 55.03 1gqj s SER 120 Cb 0.09 -0.34 0.07 0.00 0.10 0.00 0.00 66.02 65.94 1gqj s SER 120 CO 0.82 -0.35 1.54 0.44 0.98 0.00 0.00 173.24 176.66 1gqj h ASP 121 N 1.93 0.86 0.05 7.02 3.32 -1.93 -2.73 116.42 124.94 1gqj h ASP 121 Ca -0.43 -0.37 -0.06 0.00 0.02 0.00 0.00 57.03 56.19 1gqj h ASP 121 Cb 1.24 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1gqj h ASP 121 CO 0.75 1.12 -0.17 -0.37 -1.72 0.00 0.00 179.24 178.85 1gqj h VAL 122 N 0.68 1.20 -0.69 -1.35 -1.51 -1.93 -1.94 116.25 110.71 1gqj h VAL 122 Ca 0.07 -0.91 0.03 0.00 -1.23 0.00 0.00 66.70 64.65 1gqj h VAL 122 Cb 0.90 1.28 -0.04 0.00 -2.13 0.00 0.00 31.29 31.30 1gqj h VAL 122 CO 0.08 0.28 0.43 1.23 -1.23 0.00 0.00 177.57 178.36 1gqj h GLY 123 N 0.83 1.00 1.05 5.19 0.00 -1.73 -0.05 103.07 109.36 1gqj h GLY 123 Ca 0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1gqj h GLY 123 CO 0.03 0.27 0.30 -2.08 0.00 0.00 0.00 176.54 175.05 1gqj h VAL 124 N 0.84 1.26 -0.36 4.60 2.07 -1.15 -0.12 116.25 123.39 1gqj h VAL 124 Ca 0.28 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1gqj h VAL 124 Cb 0.03 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1gqj h VAL 124 CO -0.11 0.35 0.17 0.25 0.02 0.00 0.00 177.57 178.24 1gqj h LEU 125 N 1.16 0.48 -0.73 2.57 5.85 -0.88 0.12 115.31 123.87 1gqj h LEU 125 Ca 0.26 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1gqj h LEU 125 Cb 0.25 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1gqj h LEU 125 CO -0.02 0.48 0.34 1.88 -0.34 0.00 0.00 178.44 180.78 1gqj h TYR 126 N 0.45 1.07 -0.57 1.25 0.05 -0.88 -1.60 116.97 116.74 1gqj h TYR 126 Ca 0.12 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 1gqj h TYR 126 Cb 0.13 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 1gqj h TYR 126 CO -0.01 0.80 0.23 0.78 -1.05 0.00 0.00 178.16 178.91 1gqj h GLY 127 N 1.03 0.88 0.90 3.88 0.00 -0.87 -1.47 103.07 107.42 1gqj h GLY 127 Ca 0.25 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1gqj h GLY 127 CO -0.03 0.42 0.04 1.76 0.00 0.00 0.00 176.54 178.73 1gqj h SER 128 N 0.82 0.53 -0.96 0.19 0.02 -0.36 0.68 113.55 114.47 1gqj h SER 128 Ca 0.20 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1gqj h SER 128 Cb 0.15 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 1gqj h SER 128 CO -0.02 0.67 0.64 -0.26 -1.14 0.00 0.00 176.83 176.72 1gqj h PHE 129 N 0.37 1.21 -0.36 3.45 0.04 -0.95 -1.17 116.94 119.53 1gqj h PHE 129 Ca 0.10 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.85 1gqj h PHE 129 Cb 0.38 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1gqj h PHE 129 CO 0.03 0.76 0.05 1.25 -0.60 0.00 0.00 178.31 179.80 1gqj h HIS 130 N 1.30 0.65 -0.49 -0.55 2.76 -1.06 -0.55 115.15 117.22 1gqj h HIS 130 Ca 0.35 -0.09 0.10 0.00 -2.20 0.00 0.00 60.37 58.53 1gqj h HIS 130 Cb -0.15 -0.18 -0.10 0.00 1.55 0.00 0.00 27.41 28.54 1gqj h HIS 130 CO 0.00 0.67 -0.17 1.25 -1.30 0.00 0.00 177.93 178.38 1gqj h LEU 131 N 0.45 -0.59 -0.59 0.26 7.12 -0.43 -0.23 115.31 121.30 1gqj h LEU 131 Ca 0.11 0.16 0.01 0.00 0.13 0.00 0.00 57.88 58.29 1gqj h LEU 131 Cb 0.38 0.35 -0.03 0.00 -0.53 0.00 0.00 40.66 40.83 1gqj h LEU 131 CO 0.01 -0.20 0.38 -0.07 -0.13 0.00 0.00 178.44 178.43 1gqj h LEU 132 N -0.05 0.64 -1.11 2.25 3.38 -1.05 -2.66 115.31 116.71 1gqj h LEU 132 Ca 0.23 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.27 1gqj h LEU 132 Cb 0.41 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1gqj h LEU 132 CO -0.53 0.46 0.61 -0.09 0.09 0.00 0.00 178.44 178.97 1gqj h ARG 133 N 0.76 1.01 -0.99 1.13 2.43 0.08 0.24 114.38 119.04 1gqj h ARG 133 Ca 0.22 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.41 1gqj h ARG 133 Cb -0.05 -0.23 -0.07 0.00 -0.42 0.00 0.00 29.97 29.20 1gqj h ARG 133 CO -0.07 0.67 0.64 -0.07 -1.51 0.00 0.00 179.97 179.63 1gqj h LEU 134 N 1.04 1.00 -0.02 3.80 3.38 -0.73 0.78 115.31 124.56 1gqj h LEU 134 Ca 0.41 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.38 1gqj h LEU 134 Cb 0.25 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1gqj h LEU 134 CO -0.17 0.61 -0.06 0.40 0.09 0.00 0.00 178.44 179.32 1gqj h ILE 135 N 1.12 1.47 -1.01 1.22 2.04 -1.27 0.53 117.51 121.61 1gqj h ILE 135 Ca 0.44 -1.47 0.27 0.00 1.00 0.00 0.00 64.86 65.10 1gqj h ILE 135 Cb 0.24 2.40 -0.07 0.00 -0.74 0.00 0.00 36.82 38.66 1gqj h ILE 135 CO -0.20 0.39 0.69 1.56 0.00 0.00 0.00 178.15 180.59 1gqj h GLN 136 N -0.50 0.23 -0.50 2.37 4.20 -0.23 0.13 115.11 120.81 1gqj h GLN 136 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1gqj h GLN 136 Cb 0.67 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1gqj h GLN 136 CO 0.01 0.15 0.00 0.25 -0.67 0.00 0.00 178.83 178.57 1gqj n THR 137 N -4.44 1.56 -3.53 -0.54 -2.24 0.24 -4.43 114.28 100.90 1gqj n THR 137 Ca 0.23 -1.24 -0.22 0.00 -2.27 0.00 0.00 64.05 60.55 1gqj n THR 137 Cb 0.93 0.22 0.08 0.00 -2.10 0.00 0.00 70.33 69.46 1gqj n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gqj n GLN 138 N 0.71 -7.51 -3.66 -0.78 6.02 0.03 -5.00 117.38 107.20 1gqj n GLN 138 Ca 0.20 0.82 -0.31 0.00 -0.01 0.00 0.00 57.00 57.70 1gqj n GLN 138 Cb 0.72 -5.82 -0.05 0.00 1.02 0.00 0.00 30.24 26.11 1gqj n GLN 138 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1gqj s HIS 139 N -3.32 3.47 0.22 1.08 3.76 0.18 -5.02 115.29 115.65 1gqj s HIS 139 Ca 0.43 0.56 -0.30 0.00 -0.15 0.00 0.00 55.06 55.60 1gqj s HIS 139 Cb -0.19 -2.01 -0.08 0.00 1.11 0.00 0.00 32.58 31.41 1gqj s HIS 139 CO 0.72 0.42 0.96 0.00 -0.85 0.00 0.00 174.74 175.99 1gqj s ALA 140 N -1.68 3.33 -0.65 -1.40 0.00 -1.26 -4.56 121.76 115.53 1gqj s ALA 140 Ca 0.41 0.64 0.24 0.00 0.00 0.00 0.00 51.96 53.26 1gqj s ALA 140 Cb -0.12 -3.24 0.37 0.00 0.00 0.00 0.00 23.12 20.14 1gqj s ALA 140 CO 0.25 0.13 1.35 1.28 0.00 0.00 0.00 175.76 178.76 1gqj n LEU 141 N 1.71 0.70 -4.71 0.00 4.77 -1.26 -4.73 117.00 113.48 1gqj n LEU 141 Ca -0.01 0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.79 1gqj n LEU 141 Cb 0.47 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1gqj n LEU 141 CO 0.51 -0.06 1.08 -0.70 -1.33 0.00 0.00 177.39 176.89 1gqj s GLU 142 N -3.16 4.31 -1.45 3.23 2.56 -1.26 -1.23 118.70 121.69 1gqj s GLU 142 Ca 0.07 2.09 0.00 0.00 0.00 0.00 0.00 54.97 57.13 1gqj s GLU 142 Cb 0.13 -3.27 0.00 0.00 2.00 0.00 0.00 34.13 33.00 1gqj s GLU 142 CO 0.71 -0.46 0.00 1.63 -0.56 0.00 0.00 175.26 176.58 1gqj n LYS 143 N 4.06 -1.05 -1.86 4.30 4.76 -1.26 -4.96 118.16 122.15 1gqj n LYS 143 Ca 0.12 0.93 -0.42 0.00 -2.87 0.00 0.00 58.31 56.07 1gqj n LYS 143 Cb 0.42 -5.09 -0.03 0.00 -1.84 0.00 0.00 35.03 28.49 1gqj n LYS 143 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1gqj s LEU 144 N -3.52 4.37 -0.36 -0.35 2.96 -0.37 -4.85 118.68 116.55 1gqj s LEU 144 Ca 0.00 2.73 0.07 0.00 -0.22 0.00 0.00 54.13 56.71 1gqj s LEU 144 Cb 0.00 -3.60 0.19 0.00 0.50 0.00 0.00 46.19 43.28 1gqj s LEU 144 CO 0.00 -0.87 0.61 -0.55 -1.32 0.00 0.00 176.35 174.22 1gqj s SER 145 N 1.04 -1.52 -0.02 3.68 0.15 -1.24 -0.02 113.70 115.78 1gqj s SER 145 Ca 0.70 -0.41 -0.05 0.00 0.70 0.00 0.00 55.95 56.90 1gqj s SER 145 Cb -0.46 1.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.82 1gqj s SER 145 CO 0.34 -0.22 0.10 -1.48 1.20 0.00 0.00 173.24 173.17 1gqj s LEU 146 N 2.23 1.66 0.11 3.45 0.05 0.99 -5.00 118.68 122.18 1gqj s LEU 146 Ca 0.14 -0.05 0.06 0.00 0.05 0.00 0.00 54.13 54.33 1gqj s LEU 146 Cb -0.07 0.46 -0.04 0.00 -2.05 0.00 0.00 46.19 44.49 1gqj s LEU 146 CO -0.15 -0.21 -0.14 -0.94 -0.55 0.00 0.00 176.35 174.37 1gqj s SER 147 N -0.72 1.92 -0.02 1.48 1.04 -1.26 0.46 113.70 116.60 1gqj s SER 147 Ca -0.08 -0.79 -0.20 0.00 0.48 0.00 0.00 55.95 55.36 1gqj s SER 147 Cb -0.05 -0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.05 1gqj s SER 147 CO 0.01 -0.14 0.44 -0.55 0.98 0.00 0.00 173.24 173.97 1gqj s SER 148 N -2.36 -0.35 -0.02 7.02 0.15 -0.73 -5.02 113.70 112.40 1gqj s SER 148 Ca 0.07 0.27 -0.06 0.00 0.70 0.00 0.00 55.95 56.93 1gqj s SER 148 Cb -0.05 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1gqj s SER 148 CO 0.03 -0.53 0.13 0.00 1.20 0.00 0.00 173.24 174.06 1gqj s ALA 149 N -1.47 -0.31 0.48 5.45 0.00 -1.26 -1.39 121.76 123.26 1gqj s ALA 149 Ca -0.11 0.05 -0.22 0.00 0.00 0.00 0.00 51.96 51.68 1gqj s ALA 149 Cb -0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.99 1gqj s ALA 149 CO 0.05 -0.15 1.18 -1.25 0.00 0.00 0.00 175.76 175.59 1gqj s PRO 150 N -0.80 3.63 0.00 0.00 0.04 -1.26 -4.91 135.00 131.70 1gqj s PRO 150 Ca -0.09 1.79 0.24 0.00 0.04 0.00 0.00 61.00 62.98 1gqj s PRO 150 Cb -0.05 -2.33 0.30 0.00 0.04 0.00 0.00 34.50 32.46 1gqj s PRO 150 CO 0.01 -0.66 1.27 0.54 0.04 0.00 0.00 177.00 178.20 1gqj n ARG 151 N -0.67 0.71 -4.31 4.56 1.74 0.30 -4.89 116.66 114.10 1gqj n ARG 151 Ca 0.08 -0.52 -0.20 0.00 -0.77 0.00 0.00 57.85 56.44 1gqj n ARG 151 Cb 0.48 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.30 1gqj n ARG 151 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gqj s LEU 152 N -2.65 2.21 -0.05 0.55 1.43 -1.25 -4.64 118.68 114.28 1gqj s LEU 152 Ca 0.18 -0.52 -0.20 0.00 -1.03 0.00 0.00 54.13 52.55 1gqj s LEU 152 Cb 0.18 -0.62 -0.14 0.00 0.03 0.00 0.00 46.19 45.64 1gqj s LEU 152 CO 0.62 0.01 0.83 1.56 0.23 0.00 0.00 176.35 179.60 1gqj h GLN 153 N 4.68 -0.26 -4.57 1.70 4.20 -1.85 -3.42 115.11 115.59 1gqj h GLN 153 Ca -0.40 0.02 -0.71 0.00 0.06 0.00 0.00 58.65 57.62 1gqj h GLN 153 Cb 1.18 0.06 -0.22 0.00 0.30 0.00 0.00 27.48 28.80 1gqj h GLN 153 CO 0.42 0.12 -0.48 -1.01 -0.67 0.00 0.00 178.83 177.22 1gqj s HIS 154 N -3.41 3.24 -0.44 2.96 3.76 0.23 -4.97 115.29 116.66 1gqj s HIS 154 Ca -0.12 -0.73 -0.03 0.00 -0.15 0.00 0.00 55.06 54.03 1gqj s HIS 154 Cb 0.01 -2.50 0.12 0.00 1.11 0.00 0.00 32.58 31.31 1gqj s HIS 154 CO 0.43 -0.59 0.24 1.03 -0.85 0.00 0.00 174.74 175.00 1gqj s ARG 155 N 1.62 2.08 0.19 1.40 0.52 -1.26 -1.58 118.95 121.92 1gqj s ARG 155 Ca 0.04 -1.90 0.09 0.00 -0.52 0.00 0.00 55.73 53.44 1gqj s ARG 155 Cb -0.19 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.62 1gqj s ARG 155 CO 0.08 -1.09 -0.19 0.54 0.02 0.00 0.00 175.30 174.66 1gqj s VAL 156 N 1.02 2.01 0.17 3.52 0.11 -0.53 -1.01 120.40 125.69 1gqj s VAL 156 Ca 0.09 -2.03 0.06 0.00 -2.93 0.00 0.00 61.98 57.18 1gqj s VAL 156 Cb -0.23 -1.98 -0.04 0.00 -1.53 0.00 0.00 36.38 32.61 1gqj s VAL 156 CO -0.04 -0.30 0.06 0.68 -3.33 0.00 0.00 175.10 172.16 1gqj s VAL 157 N -2.10 4.02 -0.03 2.04 -7.23 -0.72 -1.82 120.40 114.56 1gqj s VAL 157 Ca 0.19 -1.31 0.06 0.00 -1.81 0.00 0.00 61.98 59.11 1gqj s VAL 157 Cb -0.06 -3.04 -0.01 0.00 0.56 0.00 0.00 36.38 33.83 1gqj s VAL 157 CO 0.08 -0.12 -0.21 0.20 -0.31 0.00 0.00 175.10 174.74 1gqj s ASN 158 N -3.05 2.51 -0.16 4.85 0.01 0.91 -1.24 114.94 118.76 1gqj s ASN 158 Ca 0.29 -0.40 0.01 0.00 -0.71 0.00 0.00 52.86 52.06 1gqj s ASN 158 Cb -0.09 -0.41 0.02 0.00 0.41 0.00 0.00 41.25 41.17 1gqj s ASN 158 CO 0.21 0.24 -0.19 -1.00 -1.51 0.00 0.00 177.10 174.84 1gqj s HIS 159 N -0.35 2.60 -1.36 2.20 3.76 0.60 -1.81 115.29 120.93 1gqj s HIS 159 Ca 0.04 -1.45 -0.07 0.00 -0.15 0.00 0.00 55.06 53.43 1gqj s HIS 159 Cb -0.10 -1.81 0.10 0.00 1.11 0.00 0.00 32.58 31.88 1gqj s HIS 159 CO 0.00 -0.72 2.39 0.91 -0.85 0.00 0.00 174.74 176.48 1gqj n TRP 160 N 4.48 2.64 -3.62 1.40 8.01 -1.26 -3.26 117.44 125.82 1gqj n TRP 160 Ca -0.20 -2.86 -0.36 0.00 -1.31 0.00 0.00 57.50 52.77 1gqj n TRP 160 Cb 0.50 -1.96 -0.08 0.00 -2.01 0.00 0.00 31.31 27.77 1gqj n TRP 160 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1gqj s ASP 161 N 0.74 6.28 0.47 -0.99 1.11 -1.26 -0.20 116.67 122.82 1gqj s ASP 161 Ca 0.54 0.32 -0.11 0.00 0.18 0.00 0.00 52.55 53.48 1gqj s ASP 161 Cb 0.17 -2.14 -0.06 0.00 1.07 0.00 0.00 42.92 41.96 1gqj s ASP 161 CO -0.08 0.10 0.85 0.20 1.18 0.00 0.00 175.17 177.43 1gqj s ASN 162 N 0.62 6.47 0.47 0.27 0.01 -0.46 -0.93 114.94 121.37 1gqj s ASN 162 Ca 0.12 1.23 0.24 0.00 -0.71 0.00 0.00 52.86 53.74 1gqj s ASN 162 Cb -0.12 -2.37 1.13 0.00 0.41 0.00 0.00 41.25 40.30 1gqj s ASN 162 CO 0.02 -0.52 1.93 -0.07 -1.51 0.00 0.00 177.10 176.95 1gqj h LEU 163 N 0.84 0.00 0.00 0.60 3.38 -1.98 -0.48 115.31 117.67 1gqj h LEU 163 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1gqj h LEU 163 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1gqj h LEU 163 CO 0.63 0.20 0.00 -0.46 0.09 0.00 0.00 178.44 178.90 1gqj n ASN 164 N -3.59 0.00 0.00 -0.43 6.94 -1.26 -4.85 115.26 112.07 1gqj n ASN 164 Ca -0.01 0.24 0.00 0.00 -0.02 0.00 0.00 54.58 54.79 1gqj n ASN 164 Cb 0.34 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1gqj n ASN 164 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1gqj n ARG 165 N -1.34 0.00 -3.01 -3.83 1.74 -0.19 -5.00 116.66 105.04 1gqj n ARG 165 Ca 0.04 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.72 1gqj n ARG 165 Cb 0.08 -1.85 -0.05 0.00 -1.02 0.00 0.00 32.46 29.62 1gqj n ARG 165 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gqj s VAL 166 N -2.74 4.95 -0.17 1.55 1.01 -1.26 0.34 120.40 124.08 1gqj s VAL 166 Ca 0.00 1.54 -0.15 0.00 0.00 0.00 0.00 61.98 63.36 1gqj s VAL 166 Cb 0.00 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1gqj s VAL 166 CO 0.00 0.28 0.36 -0.69 0.00 0.00 0.00 175.10 175.05 1gqj s VAL 167 N 0.58 5.24 -0.12 2.92 1.01 -1.26 -1.36 120.40 127.41 1gqj s VAL 167 Ca 0.39 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.75 1gqj s VAL 167 Cb -0.19 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1gqj s VAL 167 CO 0.20 0.32 1.08 -0.70 0.00 0.00 0.00 175.10 176.00 1gqj s GLU 168 N 0.89 4.36 -1.21 2.72 2.12 0.72 -2.49 118.70 125.81 1gqj s GLU 168 Ca 0.19 1.48 -0.02 0.00 0.36 0.00 0.00 54.97 56.98 1gqj s GLU 168 Cb -0.14 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.66 1gqj s GLU 168 CO 0.07 -0.43 0.88 0.54 -0.54 0.00 0.00 175.26 175.78 1gqj n ARG 169 N 5.38 -5.28 -4.02 4.30 5.12 -1.26 -4.62 116.66 116.28 1gqj n ARG 169 Ca 0.10 0.76 -0.31 0.00 -1.93 0.00 0.00 57.85 56.48 1gqj n ARG 169 Cb 0.47 -5.57 -0.16 0.00 -1.16 0.00 0.00 32.46 26.04 1gqj n ARG 169 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1gqj s GLY 170 N -4.20 1.31 -0.10 -0.13 0.00 -1.04 -4.83 107.32 98.33 1gqj s GLY 170 Ca 0.08 -1.24 0.14 0.00 0.00 0.00 0.00 44.72 43.70 1gqj s GLY 170 CO 0.76 0.63 1.15 -1.72 0.00 0.00 0.00 173.10 173.92 1gqj n TYR 171 N 4.66 0.13 -1.98 1.90 4.01 -1.26 -4.57 117.16 120.05 1gqj n TYR 171 Ca -0.16 -0.85 0.04 0.00 -0.16 0.00 0.00 57.90 56.77 1gqj n TYR 171 Cb 0.47 -0.14 0.06 0.00 -0.31 0.00 0.00 39.34 39.42 1gqj n TYR 171 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gqj n ALA 172 N -1.04 2.43 0.00 -0.72 0.00 -1.26 -4.53 120.51 115.39 1gqj n ALA 172 Ca 0.13 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.48 1gqj n ALA 172 Cb 0.58 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1gqj n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gqj n GLY 173 N -0.21 -1.13 3.80 0.00 0.00 -1.26 -1.89 105.19 104.49 1gqj n GLY 173 Ca 0.08 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 1gqj n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gqj s LEU 174 N 0.00 3.10 0.39 0.99 1.43 -1.26 -4.46 118.68 118.87 1gqj s LEU 174 Ca 0.00 1.68 -0.26 0.00 -1.03 0.00 0.00 54.13 54.52 1gqj s LEU 174 Cb 0.00 -4.50 -0.11 0.00 0.03 0.00 0.00 46.19 41.61 1gqj s LEU 174 CO 0.00 -1.63 1.19 -0.24 0.23 0.00 0.00 176.35 175.90 1gqj n SER 175 N -3.25 2.16 0.27 2.29 2.88 0.15 -0.89 113.62 117.25 1gqj n SER 175 Ca 0.08 1.12 0.15 0.00 -1.33 0.00 0.00 58.87 58.89 1gqj n SER 175 Cb 0.53 -1.44 0.76 0.00 -0.75 0.00 0.00 64.21 63.32 1gqj n SER 175 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1gqj h LEU 176 N 2.06 0.00 -8.71 2.46 3.38 -1.89 -3.43 115.31 109.18 1gqj h LEU 176 Ca -0.46 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.93 1gqj h LEU 176 Cb 1.31 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.97 1gqj h LEU 176 CO 0.60 0.09 0.75 0.26 0.09 0.00 0.00 178.44 180.23 1gqj s TRP 177 N -4.02 2.89 -1.20 1.13 0.23 -1.26 -4.94 118.94 111.78 1gqj s TRP 177 Ca -0.02 0.59 -0.11 0.00 -2.03 0.00 0.00 56.10 54.52 1gqj s TRP 177 Cb 0.12 -4.16 0.20 0.00 0.03 0.00 0.00 33.47 29.66 1gqj s TRP 177 CO 0.56 -1.15 1.45 -3.47 0.96 0.00 0.00 176.95 175.29 1gqj n ASP 178 N 7.45 5.34 -0.21 2.95 2.03 -1.26 -4.84 116.55 128.01 1gqj n ASP 178 Ca 0.09 -3.04 0.17 0.00 0.52 0.00 0.00 54.79 52.53 1gqj n ASP 178 Cb 0.49 -1.50 0.50 0.00 -0.72 0.00 0.00 41.12 39.88 1gqj n ASP 178 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1gqj h TRP 179 N 6.70 0.54 0.00 -0.67 4.06 -1.92 -0.89 115.95 123.77 1gqj h TRP 179 Ca 0.30 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.24 1gqj h TRP 179 Cb 0.82 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 28.81 1gqj h TRP 179 CO 1.05 0.18 -0.09 0.78 -3.56 0.00 0.00 178.44 176.79 1gqj h GLY 180 N 0.44 0.00 -0.81 1.49 0.00 -1.96 -2.77 103.07 99.45 1gqj h GLY 180 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1gqj h GLY 180 CO -0.15 0.00 -0.37 -1.14 0.00 0.00 0.00 176.54 174.88 1gqj n SER 181 N -4.34 1.74 -4.85 0.19 3.41 -0.42 -4.97 113.62 104.39 1gqj n SER 181 Ca -0.03 -1.37 -0.32 0.00 -0.26 0.00 0.00 58.87 56.89 1gqj n SER 181 Cb 0.17 0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 1gqj n SER 181 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gqj s LEU 182 N -2.14 4.02 0.00 1.04 1.43 -0.74 -0.81 118.68 121.49 1gqj s LEU 182 Ca 0.15 1.31 0.28 0.00 -1.03 0.00 0.00 54.13 54.83 1gqj s LEU 182 Cb 0.14 -4.12 0.98 0.00 0.03 0.00 0.00 46.19 43.22 1gqj s LEU 182 CO 0.44 -0.24 1.75 -0.81 0.23 0.00 0.00 176.35 177.72 1gqj n PRO 183 N -0.50 0.01 -0.31 1.29 -0.04 -1.26 -4.82 135.00 129.37 1gqj n PRO 183 Ca 0.04 -0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1gqj n PRO 183 Cb 0.53 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.61 1gqj n PRO 183 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1gqj h ASN 184 N 0.00 0.88 -3.37 3.54 4.21 -1.87 -3.39 115.58 115.58 1gqj h ASN 184 Ca 0.00 -0.00 -0.73 0.00 1.21 0.00 0.00 56.30 56.78 1gqj h ASN 184 Cb 0.50 -0.19 -0.22 0.00 -1.12 0.00 0.00 38.32 37.29 1gqj h ASN 184 CO 0.00 0.60 -0.36 -0.47 -1.29 0.00 0.00 177.43 175.91 1gqj s TYR 185 N -6.09 3.24 -1.15 1.19 5.04 0.01 -4.99 117.35 114.60 1gqj s TYR 185 Ca -0.13 -0.81 -0.16 0.00 -2.44 0.00 0.00 57.07 53.54 1gqj s TYR 185 Cb 0.17 -2.97 0.15 0.00 0.35 0.00 0.00 41.96 39.66 1gqj s TYR 185 CO 0.79 -0.73 1.40 -0.51 -1.34 0.00 0.00 175.55 175.17 1gqj s LEU 186 N 1.66 4.84 0.38 6.97 1.43 -1.26 -4.67 118.68 128.02 1gqj s LEU 186 Ca 0.04 -2.66 -0.28 0.00 -1.03 0.00 0.00 54.13 50.20 1gqj s LEU 186 Cb -0.22 -2.43 -0.11 0.00 0.03 0.00 0.00 46.19 43.46 1gqj s LEU 186 CO 0.08 -0.90 1.48 0.00 0.23 0.00 0.00 176.35 177.24 1gqj s ALA 187 N 2.27 3.57 0.39 4.21 0.00 -1.26 -4.90 121.76 126.05 1gqj s ALA 187 Ca 0.42 1.56 0.18 0.00 0.00 0.00 0.00 51.96 54.12 1gqj s ALA 187 Cb -0.02 -3.60 1.10 0.00 0.00 0.00 0.00 23.12 20.60 1gqj s ALA 187 CO -0.01 -1.04 1.75 -1.35 0.00 0.00 0.00 175.76 175.11 1gqj h PRO 188 N 3.01 0.38 -0.01 0.00 0.11 -2.02 -2.20 132.00 131.28 1gqj h PRO 188 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1gqj h PRO 188 Cb 1.24 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1gqj h PRO 188 CO 0.64 0.25 0.00 -0.09 -0.21 0.00 0.00 178.00 178.60 1gqj h ARG 189 N 0.39 0.00 -0.75 1.05 2.43 -1.99 -1.34 114.38 114.17 1gqj h ARG 189 Ca 0.62 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.73 1gqj h ARG 189 Cb 1.56 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.07 1gqj h ARG 189 CO -0.33 0.00 0.25 1.88 -1.51 0.00 0.00 179.97 180.27 1gqj h TYR 190 N 0.00 1.17 -0.39 2.20 0.05 -1.77 0.74 116.97 118.97 1gqj h TYR 190 Ca 0.00 -0.11 -0.16 0.00 0.05 0.00 0.00 58.73 58.52 1gqj h TYR 190 Cb 0.01 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.40 1gqj h TYR 190 CO 0.00 0.91 -0.37 1.15 -1.05 0.00 0.00 178.16 178.81 1gqj h THR 191 N 1.10 1.27 -0.42 -2.88 2.02 -1.42 -1.92 112.91 110.66 1gqj h THR 191 Ca 0.24 -1.54 -0.05 0.00 0.77 0.00 0.00 66.41 65.83 1gqj h THR 191 Cb 0.27 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1gqj h THR 191 CO -0.01 0.52 0.04 0.44 0.37 0.00 0.00 175.52 176.88 1gqj h ASP 192 N 0.76 0.62 -0.56 4.18 3.32 -1.00 0.15 116.42 123.90 1gqj h ASP 192 Ca 0.07 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1gqj h ASP 192 Cb 0.95 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 1gqj h ASP 192 CO 0.09 0.66 0.35 0.22 -1.72 0.00 0.00 179.24 178.85 1gqj h TYR 193 N 0.63 0.72 -0.90 4.55 3.20 -0.78 0.65 116.97 125.05 1gqj h TYR 193 Ca 0.14 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1gqj h TYR 193 Cb 0.33 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 1gqj h TYR 193 CO 0.01 0.48 0.53 0.00 -1.64 0.00 0.00 178.16 177.55 1gqj h ALA 194 N 1.18 1.14 -0.55 1.82 0.00 -0.94 -2.42 119.26 119.50 1gqj h ALA 194 Ca 0.20 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1gqj h ALA 194 Cb -0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1gqj h ALA 194 CO -0.04 0.61 -0.07 0.00 0.00 0.00 0.00 179.25 179.75 1gqj h ARG 195 N 1.24 1.00 0.02 0.00 3.08 -0.37 0.07 114.38 119.41 1gqj h ARG 195 Ca 0.32 -0.34 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1gqj h ARG 195 Cb -0.04 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1gqj h ARG 195 CO -0.06 1.02 -0.15 0.82 -1.07 0.00 0.00 179.97 180.53 1gqj h ILE 196 N 0.90 0.64 -0.30 2.04 2.04 -0.71 -0.65 117.51 121.48 1gqj h ILE 196 Ca 0.15 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.84 1gqj h ILE 196 Cb 0.61 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1gqj h ILE 196 CO 0.04 0.00 -0.50 0.78 0.00 0.00 0.00 178.15 178.47 1gqj h ASN 197 N -0.25 0.93 -0.14 1.72 2.35 -1.33 -3.00 115.58 115.86 1gqj h ASN 197 Ca 0.04 -0.47 -0.02 0.00 -0.55 0.00 0.00 56.30 55.31 1gqj h ASN 197 Cb 0.31 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1gqj h ASN 197 CO -0.13 1.26 0.05 0.00 -1.65 0.00 0.00 177.43 176.96 1gqj h ALA 198 N 0.77 1.72 -0.00 -0.83 0.00 -0.95 -0.85 119.26 119.12 1gqj h ALA 198 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1gqj h ALA 198 Cb 1.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1gqj h ALA 198 CO 0.11 0.22 0.01 0.66 0.00 0.00 0.00 179.25 180.25 1gqj h SER 199 N 0.28 0.00 -0.00 0.00 4.64 -0.96 -0.77 113.55 116.73 1gqj h SER 199 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1gqj h SER 199 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1gqj h SER 199 CO -0.00 0.00 -0.81 0.18 -0.87 0.00 0.00 176.83 175.32 1gqj n LEU 200 N -3.56 1.36 0.00 5.97 4.77 -0.83 -4.81 117.00 119.90 1gqj n LEU 200 Ca -0.03 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1gqj n LEU 200 Cb 0.09 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1gqj n LEU 200 CO 0.25 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1gqj n GLY 201 N 1.47 0.75 3.68 -0.72 0.00 -0.29 -4.52 105.19 105.56 1gqj n GLY 201 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1gqj n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqj s ILE 202 N -2.31 3.10 -0.28 -0.61 1.01 -0.39 -4.84 121.20 116.88 1gqj s ILE 202 Ca 0.00 0.49 0.12 0.00 0.00 0.00 0.00 60.65 61.27 1gqj s ILE 202 Cb 0.00 -3.32 0.30 0.00 0.01 0.00 0.00 42.46 39.45 1gqj s ILE 202 CO 0.00 -0.01 1.22 -0.46 0.00 0.00 0.00 174.94 175.69 1gqj n ASN 203 N 5.83 2.83 -3.48 3.58 0.23 -0.18 -4.20 115.26 119.88 1gqj n ASN 203 Ca 0.16 -2.61 -0.11 0.00 -0.53 0.00 0.00 54.58 51.49 1gqj n ASN 203 Cb 0.41 -0.33 -0.03 0.00 -2.08 0.00 0.00 39.78 37.75 1gqj n ASN 203 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1gqj s GLY 204 N -1.81 -0.53 -0.20 4.83 0.00 -1.17 -1.19 107.32 107.26 1gqj s GLY 204 Ca 0.26 0.91 -0.12 0.00 0.00 0.00 0.00 44.72 45.77 1gqj s GLY 204 CO 0.07 0.39 0.49 -1.08 0.00 0.00 0.00 173.10 172.96 1gqj s THR 205 N -3.00 -0.02 -0.42 0.90 -1.32 -0.76 -1.75 115.64 109.26 1gqj s THR 205 Ca 0.01 0.06 -0.15 0.00 -1.21 0.00 0.00 61.69 60.40 1gqj s THR 205 Cb -0.01 -0.71 0.03 0.00 -1.51 0.00 0.00 72.50 70.30 1gqj s THR 205 CO -0.08 0.03 0.32 -0.69 -2.21 0.00 0.00 174.62 171.99 1gqj s VAL 206 N 1.38 5.18 -1.38 5.08 1.01 -0.38 -0.94 120.40 130.35 1gqj s VAL 206 Ca -0.09 -0.79 0.27 0.00 0.00 0.00 0.00 61.98 61.37 1gqj s VAL 206 Cb -0.07 -3.94 0.21 0.00 0.00 0.00 0.00 36.38 32.57 1gqj s VAL 206 CO -0.14 -0.38 1.60 2.30 0.00 0.00 0.00 175.10 178.49 1gqj n ILE 207 N 5.15 0.00 -4.33 2.22 -5.35 -1.23 -0.29 119.36 115.54 1gqj n ILE 207 Ca -0.11 -0.05 -0.20 0.00 -0.27 0.00 0.00 62.75 62.11 1gqj n ILE 207 Cb 0.46 0.16 -0.11 0.00 -1.74 0.00 0.00 39.64 38.41 1gqj n ILE 207 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1gqj s ASN 208 N -2.73 2.57 0.44 7.28 4.22 -1.21 -4.27 114.94 121.23 1gqj s ASN 208 Ca 0.19 -0.91 -0.25 0.00 -2.14 0.00 0.00 52.86 49.76 1gqj s ASN 208 Cb 0.19 -0.14 -0.09 0.00 1.28 0.00 0.00 41.25 42.49 1gqj s ASN 208 CO 0.58 -0.09 1.31 -3.20 -2.04 0.00 0.00 177.10 173.66 1gqj n ASN 209 N 0.11 2.72 0.21 3.54 2.85 -0.11 -4.38 115.26 120.20 1gqj n ASN 209 Ca -0.12 1.10 0.05 0.00 -0.11 0.00 0.00 54.58 55.51 1gqj n ASN 209 Cb 0.58 -1.53 0.47 0.00 1.24 0.00 0.00 39.78 40.54 1gqj n ASN 209 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1gqj h VAL 210 N 2.07 1.07 -1.01 3.44 -1.51 -1.91 -3.26 116.25 115.15 1gqj h VAL 210 Ca -0.49 -0.97 -0.59 0.00 -1.23 0.00 0.00 66.70 63.42 1gqj h VAL 210 Cb 1.29 1.54 -0.09 0.00 -2.13 0.00 0.00 31.29 31.90 1gqj h VAL 210 CO 0.60 0.27 1.59 0.20 -1.23 0.00 0.00 177.57 178.99 1gqj s ASN 211 N -6.77 6.44 0.16 4.19 0.01 -1.26 -4.33 114.94 113.38 1gqj s ASN 211 Ca -0.03 -1.62 -0.21 0.00 -0.71 0.00 0.00 52.86 50.29 1gqj s ASN 211 Cb 0.14 -2.57 -0.08 0.00 0.41 0.00 0.00 41.25 39.15 1gqj s ASN 211 CO 0.69 -1.57 0.69 0.00 -1.51 0.00 0.00 177.10 175.41 1gqj s ALA 212 N 5.34 3.48 -0.28 0.60 0.00 -1.23 -5.01 121.76 124.67 1gqj s ALA 212 Ca 0.50 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 1gqj s ALA 212 Cb 0.00 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 1gqj s ALA 212 CO -0.05 0.34 0.19 0.34 0.00 0.00 0.00 175.76 176.58 1gqj s ASP 213 N -1.32 6.02 0.60 0.00 -1.08 -1.26 -4.61 116.67 115.03 1gqj s ASP 213 Ca 0.36 -0.00 0.31 0.00 -0.52 0.00 0.00 52.55 52.70 1gqj s ASP 213 Cb -0.20 -2.12 1.79 0.00 -1.46 0.00 0.00 42.92 40.93 1gqj s ASP 213 CO 0.22 -0.04 2.16 1.55 0.52 0.00 0.00 175.17 179.58 1gqj h PRO 214 N 8.32 0.00 -0.13 4.34 0.13 -1.94 -2.99 132.00 139.73 1gqj h PRO 214 Ca -0.35 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.82 1gqj h PRO 214 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1gqj h PRO 214 CO 0.56 0.00 0.14 0.00 -0.23 0.00 0.00 178.00 178.47 1gqj h ARG 215 N 0.00 0.00 0.00 0.86 3.08 -1.98 -2.34 114.38 114.00 1gqj h ARG 215 Ca 0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1gqj h ARG 215 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1gqj h ARG 215 CO -0.00 0.00 -0.01 -0.39 -1.07 0.00 0.00 179.97 178.50 1gqj h VAL 216 N 0.00 0.17 -0.01 2.04 -1.51 -1.91 -0.77 116.25 114.25 1gqj h VAL 216 Ca 0.06 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1gqj h VAL 216 Cb 0.35 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1gqj h VAL 216 CO -0.00 0.01 -0.14 0.18 -1.23 0.00 0.00 177.57 176.39 1gqj n LEU 217 N -3.31 1.55 -4.86 4.19 4.77 -0.88 -3.94 117.00 114.52 1gqj n LEU 217 Ca -0.03 -0.49 -0.31 0.00 -0.03 0.00 0.00 56.01 55.15 1gqj n LEU 217 Cb 0.10 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1gqj n LEU 217 CO 0.23 0.27 0.65 -0.94 -1.33 0.00 0.00 177.39 176.27 1gqj s SER 218 N -2.22 6.41 0.25 -1.43 1.04 -0.29 -4.85 113.70 112.61 1gqj s SER 218 Ca 0.30 1.40 -0.03 0.00 0.48 0.00 0.00 55.95 58.10 1gqj s SER 218 Cb 0.20 -2.45 0.46 0.00 0.10 0.00 0.00 66.02 64.33 1gqj s SER 218 CO 0.42 -0.69 1.77 -0.78 0.98 0.00 0.00 173.24 174.94 1gqj h ASP 219 N 0.37 0.50 -0.55 7.02 1.82 -1.91 0.11 116.42 123.77 1gqj h ASP 219 Ca -0.46 0.08 0.11 0.00 -0.39 0.00 0.00 57.03 56.37 1gqj h ASP 219 Cb 1.19 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 41.09 1gqj h ASP 219 CO 0.62 0.24 -0.22 -0.61 -1.61 0.00 0.00 179.24 177.66 1gqj h GLN 220 N 0.62 -0.08 0.07 0.28 4.15 -1.93 -1.75 115.11 116.46 1gqj h GLN 220 Ca 0.42 0.01 -0.26 0.00 0.77 0.00 0.00 58.65 59.59 1gqj h GLN 220 Cb 0.55 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1gqj h GLN 220 CO -0.33 -0.05 -1.27 0.74 -1.93 0.00 0.00 178.83 175.98 1gqj h PHE 221 N -0.08 0.27 -0.71 3.99 0.04 -1.63 -3.28 116.94 115.54 1gqj h PHE 221 Ca 0.25 -0.20 0.04 0.00 2.80 0.00 0.00 57.97 60.87 1gqj h PHE 221 Cb 0.48 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.58 1gqj h PHE 221 CO -0.52 1.18 0.47 -0.07 -0.60 0.00 0.00 178.31 178.77 1gqj h LEU 222 N 0.04 0.72 -0.94 1.54 3.38 -0.57 0.12 115.31 119.60 1gqj h LEU 222 Ca -0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1gqj h LEU 222 Cb 1.92 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 42.47 1gqj h LEU 222 CO 0.16 0.49 0.39 1.56 0.09 0.00 0.00 178.44 181.13 1gqj h GLN 223 N 0.83 1.15 -0.12 1.13 4.20 -1.42 0.13 115.11 121.01 1gqj h GLN 223 Ca 0.29 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1gqj h GLN 223 Cb 0.11 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1gqj h GLN 223 CO -0.09 0.88 -0.02 0.87 -0.67 0.00 0.00 178.83 179.80 1gqj h LYS 224 N 1.14 0.23 -0.87 1.46 1.57 -1.30 -3.07 116.57 115.72 1gqj h LYS 224 Ca 0.28 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1gqj h LYS 224 Cb 0.10 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1gqj h LYS 224 CO -0.04 0.51 0.58 0.82 -0.57 0.00 0.00 179.45 180.76 1gqj h ILE 225 N -0.08 1.22 -0.84 1.86 2.04 -0.69 -1.91 117.51 119.11 1gqj h ILE 225 Ca 0.03 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.51 1gqj h ILE 225 Cb 0.43 -0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 1gqj h ILE 225 CO 0.01 0.22 0.56 0.00 0.00 0.00 0.00 178.15 178.93 1gqj h ALA 226 N 1.46 1.46 -0.40 1.87 0.00 -1.00 0.25 119.26 122.89 1gqj h ALA 226 Ca 0.32 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1gqj h ALA 226 Cb -0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.33 1gqj h ALA 226 CO -0.07 0.47 -0.02 0.00 0.00 0.00 0.00 179.25 179.63 1gqj h ALA 227 N 1.50 1.21 -0.20 0.00 0.00 -1.25 0.10 119.26 120.62 1gqj h ALA 227 Ca 0.33 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1gqj h ALA 227 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1gqj h ALA 227 CO -0.09 0.52 -0.06 -0.07 0.00 0.00 0.00 179.25 179.55 1gqj h LEU 228 N 0.61 0.40 -0.78 0.00 3.38 -1.15 -2.40 115.31 115.36 1gqj h LEU 228 Ca 0.12 -0.38 0.12 0.00 0.09 0.00 0.00 57.88 57.84 1gqj h LEU 228 Cb 0.42 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 1gqj h LEU 228 CO 0.02 0.68 0.38 0.00 0.09 0.00 0.00 178.44 179.61 1gqj h ALA 229 N 0.73 1.12 -0.75 1.53 0.00 0.00 -1.15 119.26 120.74 1gqj h ALA 229 Ca 0.05 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1gqj h ALA 229 Cb 0.52 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1gqj h ALA 229 CO 0.02 -0.09 0.49 -0.44 0.00 0.00 0.00 179.25 179.23 1gqj h ASP 230 N 0.59 0.83 0.12 0.00 3.32 -0.70 -0.02 116.42 120.56 1gqj h ASP 230 Ca 0.41 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.39 1gqj h ASP 230 Cb 0.53 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1gqj h ASP 230 CO -0.33 0.59 -0.20 0.00 -1.72 0.00 0.00 179.24 177.58 1gqj h ALA 231 N 1.30 1.49 0.00 3.45 0.00 -0.79 -3.20 119.26 121.51 1gqj h ALA 231 Ca 0.29 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1gqj h ALA 231 Cb -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1gqj h ALA 231 CO -0.08 0.36 -1.26 0.74 0.00 0.00 0.00 179.25 179.01 1gqj h PHE 232 N 0.15 0.00 -0.43 0.00 0.04 -0.76 -3.40 116.94 112.54 1gqj h PHE 232 Ca 0.03 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.88 1gqj h PHE 232 Cb 0.44 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.52 1gqj h PHE 232 CO 0.00 0.76 -0.06 -0.09 -0.60 0.00 0.00 178.31 178.32 1gqj h ARG 233 N 0.00 0.04 0.00 1.51 2.43 -1.00 -1.37 114.38 115.99 1gqj h ARG 233 Ca -0.14 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1gqj h ARG 233 Cb 1.70 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 1gqj h ARG 233 CO 0.07 0.03 0.00 -0.35 -1.51 0.00 0.00 179.97 178.21 1gqj n PRO 234 N -5.28 0.16 -0.58 0.20 -0.04 -1.26 -1.36 135.00 126.85 1gqj n PRO 234 Ca 0.03 0.56 0.10 0.00 -0.04 0.00 0.00 63.50 64.15 1gqj n PRO 234 Cb 0.24 -1.94 0.35 0.00 -0.04 0.00 0.00 33.50 32.11 1gqj n PRO 234 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1gqj n TYR 235 N -2.26 1.40 -0.99 0.54 4.01 -0.53 -3.99 117.16 115.34 1gqj n TYR 235 Ca -0.00 -0.57 0.00 0.00 -0.16 0.00 0.00 57.90 57.16 1gqj n TYR 235 Cb 0.11 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 1gqj n TYR 235 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gqj n GLY 236 N 1.23 0.44 3.58 2.72 0.00 -0.46 -4.67 105.19 108.03 1gqj n GLY 236 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 1gqj n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqj s ILE 237 N -1.95 5.26 0.34 -0.61 1.01 -1.15 -4.57 121.20 119.54 1gqj s ILE 237 Ca 0.00 0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.68 1gqj s ILE 237 Cb 0.00 -3.62 -0.09 0.00 0.01 0.00 0.00 42.46 38.76 1gqj s ILE 237 CO 0.00 0.17 0.79 -0.54 0.00 0.00 0.00 174.94 175.36 1gqj s LYS 238 N 1.85 4.08 0.05 2.79 1.02 -0.33 -4.06 119.74 125.14 1gqj s LYS 238 Ca 0.09 0.80 -0.23 0.00 0.02 0.00 0.00 55.97 56.65 1gqj s LYS 238 Cb -0.16 -2.40 -0.06 0.00 -0.52 0.00 0.00 37.83 34.69 1gqj s LYS 238 CO 0.11 0.12 0.69 1.41 -0.92 0.00 0.00 175.35 176.76 1gqj s MET 239 N -2.97 4.42 0.13 1.68 -2.45 -1.26 -1.84 119.30 117.01 1gqj s MET 239 Ca 0.55 0.94 0.06 0.00 -1.25 0.00 0.00 55.69 55.99 1gqj s MET 239 Cb -0.10 -3.33 -0.04 0.00 1.25 0.00 0.00 34.83 32.61 1gqj s MET 239 CO 0.17 0.39 -0.13 0.71 1.05 0.00 0.00 175.02 177.21 1gqj s TYR 240 N -0.39 1.37 0.04 4.11 1.51 -0.12 -0.67 117.35 123.21 1gqj s TYR 240 Ca 0.35 -0.59 0.05 0.00 -1.01 0.00 0.00 57.07 55.87 1gqj s TYR 240 Cb -0.20 -0.71 -0.02 0.00 -0.11 0.00 0.00 41.96 40.92 1gqj s TYR 240 CO 0.21 0.14 -0.15 -0.51 -1.11 0.00 0.00 175.55 174.13 1gqj s LEU 241 N -2.57 2.17 0.18 -1.29 1.43 -0.75 -3.48 118.68 114.36 1gqj s LEU 241 Ca 0.10 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 1gqj s LEU 241 Cb -0.04 -0.64 -0.08 0.00 0.03 0.00 0.00 46.19 45.47 1gqj s LEU 241 CO 0.03 0.05 0.93 -0.44 0.23 0.00 0.00 176.35 177.14 1gqj s SER 242 N -1.11 7.55 0.19 2.29 0.01 -1.26 -1.13 113.70 120.24 1gqj s SER 242 Ca 0.02 1.85 0.10 0.00 1.31 0.00 0.00 55.95 59.23 1gqj s SER 242 Cb -0.08 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 1gqj s SER 242 CO 0.01 0.07 -0.15 0.27 0.41 0.00 0.00 173.24 173.86 1gqj s ILE 243 N -0.67 2.88 -0.25 1.44 -5.25 -0.62 -4.76 121.20 113.97 1gqj s ILE 243 Ca 0.43 -1.84 -0.13 0.00 -0.99 0.00 0.00 60.65 58.12 1gqj s ILE 243 Cb -0.25 -2.42 -0.05 0.00 2.95 0.00 0.00 42.46 42.70 1gqj s ILE 243 CO 0.30 -0.14 0.26 0.21 -1.79 0.00 0.00 174.94 173.78 1gqj s ASN 244 N -2.86 6.17 0.54 4.36 2.47 -1.26 -4.53 114.94 119.83 1gqj s ASN 244 Ca 0.24 0.18 0.24 0.00 0.42 0.00 0.00 52.86 53.95 1gqj s ASN 244 Cb -0.08 -2.16 1.49 0.00 -1.45 0.00 0.00 41.25 39.05 1gqj s ASN 244 CO 0.14 -0.05 2.14 0.15 -3.72 0.00 0.00 177.10 175.76 1gqj h PHE 245 N 7.90 0.00 -0.09 0.43 3.57 -1.87 -1.33 116.94 125.55 1gqj h PHE 245 Ca -0.35 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1gqj h PHE 245 Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1gqj h PHE 245 CO 0.72 0.07 0.00 0.09 -2.23 0.00 0.00 178.31 176.96 1gqj n ASN 246 N -3.98 1.23 -0.25 0.41 4.13 -1.26 -4.55 115.26 110.98 1gqj n ASN 246 Ca -0.03 -2.08 0.06 0.00 1.68 0.00 0.00 54.58 54.21 1gqj n ASN 246 Cb 0.15 -0.34 0.19 0.00 -1.54 0.00 0.00 39.78 38.25 1gqj n ASN 246 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1gqj h SER 247 N 0.61 0.18 -0.93 6.41 0.02 -1.66 -1.09 113.55 117.10 1gqj h SER 247 Ca 0.00 0.12 0.19 0.00 -0.84 0.00 0.00 61.79 61.26 1gqj h SER 247 Cb 0.48 0.13 -0.08 0.00 0.14 0.00 0.00 62.40 63.07 1gqj h SER 247 CO 0.04 0.05 0.60 -0.65 -1.14 0.00 0.00 176.83 175.73 1gqj h PRO 248 N 0.37 0.55 0.09 3.45 0.11 -1.87 -1.24 132.00 133.47 1gqj h PRO 248 Ca 0.42 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 66.23 1gqj h PRO 248 Cb 0.67 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1gqj h PRO 248 CO -0.44 0.36 -1.29 0.00 -0.21 0.00 0.00 178.00 176.42 1gqj h ARG 249 N 0.57 0.19 -0.27 1.05 3.08 -1.33 -2.05 114.38 115.61 1gqj h ARG 249 Ca 0.49 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 1gqj h ARG 249 Cb 0.99 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1gqj h ARG 249 CO -0.23 1.10 -0.10 0.00 -1.07 0.00 0.00 179.97 179.67 1gqj h ALA 250 N 0.68 1.32 -0.00 0.04 0.00 -0.15 -2.13 119.26 119.02 1gqj h ALA 250 Ca -0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1gqj h ALA 250 Cb 1.94 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1gqj h ALA 250 CO 0.17 0.45 -0.00 1.19 0.00 0.00 0.00 179.25 181.06 1gqj n PHE 251 N -4.23 0.00 -1.30 0.00 3.01 -0.60 -4.93 117.46 109.41 1gqj n PHE 251 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.37 1gqj n PHE 251 Cb 0.30 -0.18 -0.04 0.00 -0.01 0.00 0.00 39.48 39.54 1gqj n PHE 251 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gqj n GLY 252 N 1.19 1.09 0.07 1.37 0.00 -0.80 -4.91 105.19 103.19 1gqj n GLY 252 Ca 0.18 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.64 1gqj n GLY 252 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gqj n ASP 253 N 0.45 0.44 -3.86 1.61 8.00 -0.80 -4.94 116.55 117.45 1gqj n ASP 253 Ca -0.10 0.19 -0.12 0.00 0.71 0.00 0.00 54.79 55.47 1gqj n ASP 253 Cb 0.32 0.93 -0.12 0.00 -0.02 0.00 0.00 41.12 42.23 1gqj n ASP 253 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gqj s VAL 254 N -3.12 0.03 -1.80 2.53 1.01 -1.01 -5.03 120.40 113.01 1gqj s VAL 254 Ca -0.05 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1gqj s VAL 254 Cb 0.10 -0.20 0.09 0.00 0.00 0.00 0.00 36.38 36.37 1gqj s VAL 254 CO 0.84 -0.11 1.00 -0.90 0.00 0.00 0.00 175.10 175.93 1gqj n ASP 255 N 2.62 0.74 -3.70 3.32 5.68 -1.26 -3.71 116.55 120.24 1gqj n ASP 255 Ca -0.15 -2.02 -0.10 0.00 -0.50 0.00 0.00 54.79 52.02 1gqj n ASP 255 Cb 0.58 -0.15 -0.03 0.00 -1.14 0.00 0.00 41.12 40.38 1gqj n ASP 255 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1gqj s THR 256 N -1.75 0.02 -0.06 2.12 -1.32 -1.26 -5.04 115.64 108.35 1gqj s THR 256 Ca 0.07 -0.67 0.09 0.00 -1.21 0.00 0.00 61.69 59.96 1gqj s THR 256 Cb 0.04 -1.52 0.13 0.00 -1.51 0.00 0.00 72.50 69.63 1gqj s THR 256 CO 0.04 -0.09 1.06 0.00 -2.21 0.00 0.00 174.62 173.42 1gqj n ALA 257 N -0.36 2.09 -1.67 11.08 0.00 -1.26 -4.47 120.51 125.92 1gqj n ALA 257 Ca -0.11 -1.72 -0.46 0.00 0.00 0.00 0.00 53.44 51.15 1gqj n ALA 257 Cb 0.62 -0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 1gqj n ALA 257 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1gqj n ASP 258 N -0.90 3.65 0.30 0.00 2.03 -1.26 -4.86 116.55 115.51 1gqj n ASP 258 Ca 0.07 0.93 0.18 0.00 0.52 0.00 0.00 54.79 56.50 1gqj n ASP 258 Cb 0.44 -1.42 0.97 0.00 -0.72 0.00 0.00 41.12 40.39 1gqj n ASP 258 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1gqj h PRO 259 N 9.80 0.00 -0.00 -0.67 0.13 -1.93 -1.63 132.00 137.70 1gqj h PRO 259 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1gqj h PRO 259 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1gqj h PRO 259 CO 0.95 0.03 -0.11 1.28 -0.23 0.00 0.00 178.00 179.92 1gqj n LEU 260 N -3.31 0.21 -4.68 1.56 4.77 -1.26 -4.62 117.00 109.68 1gqj n LEU 260 Ca -0.02 0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.78 1gqj n LEU 260 Cb 0.16 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1gqj n LEU 260 CO 0.25 0.04 0.71 -0.62 -1.33 0.00 0.00 177.39 176.44 1gqj s ASP 261 N -2.77 7.11 0.39 -1.43 -1.08 -0.62 -4.95 116.67 113.34 1gqj s ASP 261 Ca 0.21 1.37 0.17 0.00 -0.52 0.00 0.00 52.55 53.78 1gqj s ASP 261 Cb 0.19 -2.51 1.07 0.00 -1.46 0.00 0.00 42.92 40.21 1gqj s ASP 261 CO 0.53 -0.43 1.77 -0.65 0.52 0.00 0.00 175.17 176.91 1gqj h PRO 262 N 7.19 0.41 -0.18 4.34 0.11 -1.88 -0.65 132.00 141.35 1gqj h PRO 262 Ca -0.30 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 1gqj h PRO 262 Cb 1.14 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1gqj h PRO 262 CO 0.85 0.27 -0.29 0.00 -0.21 0.00 0.00 178.00 178.63 1gqj h ARG 263 N 0.43 0.34 -0.34 1.05 3.08 -1.94 -1.17 114.38 115.83 1gqj h ARG 263 Ca 0.59 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 60.40 1gqj h ARG 263 Cb 1.44 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.46 1gqj h ARG 263 CO -0.31 0.60 -0.23 0.28 -1.07 0.00 0.00 179.97 179.24 1gqj h VAL 264 N 0.30 1.29 -0.68 2.04 2.07 -1.42 -0.44 116.25 119.41 1gqj h VAL 264 Ca 0.04 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 1gqj h VAL 264 Cb 0.67 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1gqj h VAL 264 CO 0.05 0.45 0.40 1.56 0.02 0.00 0.00 177.57 180.05 1gqj h GLN 265 N 0.53 0.93 -0.49 1.57 4.20 -1.23 -2.47 115.11 118.16 1gqj h GLN 265 Ca 0.07 -0.09 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 1gqj h GLN 265 Cb 0.79 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1gqj h GLN 265 CO 0.06 0.68 -0.20 0.37 -0.67 0.00 0.00 178.83 179.07 1gqj h GLN 266 N 0.93 0.98 -0.44 1.46 5.75 -1.18 -2.40 115.11 120.20 1gqj h GLN 266 Ca 0.24 -0.41 0.07 0.00 -0.15 0.00 0.00 58.65 58.41 1gqj h GLN 266 Cb -0.00 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.44 1gqj h GLN 266 CO -0.04 1.08 0.07 2.35 -2.65 0.00 0.00 178.83 179.63 1gqj h TRP 267 N 0.85 0.11 -0.01 3.99 7.01 -0.71 -0.13 115.95 127.06 1gqj h TRP 267 Ca 0.11 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 61.01 1gqj h TRP 267 Cb 0.77 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.83 1gqj h TRP 267 CO 0.05 -0.02 -0.63 -1.49 -2.79 0.00 0.00 178.44 173.56 1gqj h TRP 268 N 0.20 0.07 -0.18 2.65 4.06 -1.41 0.95 115.95 122.29 1gqj h TRP 268 Ca 0.22 -0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.12 1gqj h TRP 268 Cb 0.28 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 1gqj h TRP 268 CO -0.23 0.67 0.05 -0.22 -3.56 0.00 0.00 178.44 175.15 1gqj h LYS 269 N 0.04 0.29 -0.80 0.49 3.64 -1.06 0.04 116.57 119.21 1gqj h LYS 269 Ca -0.01 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1gqj h LYS 269 Cb 1.12 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 1gqj h LYS 269 CO 0.09 0.43 0.36 1.15 -2.27 0.00 0.00 179.45 179.20 1gqj h THR 270 N 0.11 1.25 -0.60 1.00 2.02 -0.80 -1.35 112.91 114.54 1gqj h THR 270 Ca 0.06 -0.75 -0.10 0.00 0.77 0.00 0.00 66.41 66.39 1gqj h THR 270 Cb 0.26 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1gqj h THR 270 CO 0.00 0.31 -0.00 -0.09 0.37 0.00 0.00 175.52 176.11 1gqj h ARG 271 N 1.15 1.07 -0.86 6.66 9.65 -0.71 -1.13 114.38 130.19 1gqj h ARG 271 Ca 0.27 -0.34 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1gqj h ARG 271 Cb 0.16 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.60 1gqj h ARG 271 CO -0.03 1.04 0.55 0.00 2.80 0.00 0.00 179.97 184.33 1gqj h ALA 272 N 1.01 1.10 -0.68 2.80 0.00 -0.72 0.83 119.26 123.59 1gqj h ALA 272 Ca 0.17 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1gqj h ALA 272 Cb 0.56 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1gqj h ALA 272 CO 0.03 0.53 0.43 1.96 0.00 0.00 0.00 179.25 182.19 1gqj h GLN 273 N 1.18 0.81 -0.17 0.00 4.20 -0.96 -0.05 115.11 120.12 1gqj h GLN 273 Ca 0.31 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1gqj h GLN 273 Cb -0.10 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.49 1gqj h GLN 273 CO -0.06 0.54 0.10 -0.22 -0.67 0.00 0.00 178.83 178.51 1gqj h LYS 274 N 0.83 0.23 -0.32 1.46 3.64 -0.55 -1.50 116.57 120.36 1gqj h LYS 274 Ca 0.27 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.69 1gqj h LYS 274 Cb 0.02 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 1gqj h LYS 274 CO -0.11 0.20 -0.01 0.82 -2.27 0.00 0.00 179.45 178.08 1gqj h ILE 275 N 0.19 0.75 0.00 2.00 2.04 -0.53 -2.33 117.51 119.63 1gqj h ILE 275 Ca 0.06 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 1gqj h ILE 275 Cb 0.03 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1gqj h ILE 275 CO -0.01 0.01 -0.12 1.88 0.00 0.00 0.00 178.15 179.91 1gqj h TYR 276 N 0.08 0.00 0.00 1.37 0.05 -0.85 0.11 116.97 117.73 1gqj h TYR 276 Ca 0.15 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.84 1gqj h TYR 276 Cb 0.21 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1gqj h TYR 276 CO -0.24 0.12 -0.43 0.66 -1.05 0.00 0.00 178.16 177.22 1gqj h SER 277 N 0.00 0.00 0.32 3.88 4.64 -0.72 -2.83 113.55 118.84 1gqj h SER 277 Ca -0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1gqj h SER 277 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1gqj h SER 277 CO 0.02 0.43 -1.63 1.88 -0.87 0.00 0.00 176.83 176.65 1gqj h TYR 278 N 0.00 0.61 -2.78 4.77 0.05 -1.08 -3.43 116.97 115.11 1gqj h TYR 278 Ca -0.00 -0.44 -0.59 0.00 0.05 0.00 0.00 58.73 57.74 1gqj h TYR 278 Cb 0.80 -0.02 -0.39 0.00 1.01 0.00 0.00 36.73 38.12 1gqj h TYR 278 CO 0.00 1.53 -0.80 0.42 -1.05 0.00 0.00 178.16 178.26 1gqj s ILE 279 N -2.60 0.61 0.59 -2.88 1.01 0.28 -4.84 121.20 113.39 1gqj s ILE 279 Ca -0.12 -1.91 0.36 0.00 0.00 0.00 0.00 60.65 58.97 1gqj s ILE 279 Cb 0.06 -1.45 0.39 0.00 0.01 0.00 0.00 42.46 41.47 1gqj s ILE 279 CO 0.86 -0.92 2.28 -0.65 0.00 0.00 0.00 174.94 176.52 1gqj h PRO 280 N 7.09 0.00 -0.30 2.79 0.11 -1.76 -2.00 132.00 137.93 1gqj h PRO 280 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 1gqj h PRO 280 Cb 0.96 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.99 1gqj h PRO 280 CO 0.36 0.01 -0.07 -0.40 -0.21 0.00 0.00 178.00 177.69 1gqj n ASP 281 N -3.50 2.74 -4.63 -2.05 5.75 -1.26 -5.00 116.55 108.59 1gqj n ASP 281 Ca -0.03 -3.58 -0.46 0.00 -0.01 0.00 0.00 54.79 50.71 1gqj n ASP 281 Cb 0.10 -0.60 -0.03 0.00 -1.03 0.00 0.00 41.12 39.55 1gqj n ASP 281 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1gqj n PHE 282 N -1.01 1.76 -0.05 2.11 7.35 -0.75 -4.70 117.46 122.17 1gqj n PHE 282 Ca 0.29 0.56 -0.16 0.00 -0.76 0.00 0.00 57.45 57.39 1gqj n PHE 282 Cb 0.98 -2.37 -0.06 0.00 0.35 0.00 0.00 39.48 38.37 1gqj n PHE 282 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1gqj h GLY 283 N 3.59 0.79 0.00 7.13 0.00 -1.23 -3.42 103.07 109.93 1gqj h GLY 283 Ca -0.44 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 45.89 1gqj h GLY 283 CO 0.71 0.90 0.00 0.61 0.00 0.00 0.00 176.54 178.76 1gqj n GLY 284 N 0.52 0.84 3.34 4.60 0.00 -1.25 -1.18 105.19 112.06 1gqj n GLY 284 Ca -0.06 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 1gqj n GLY 284 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gqj s PHE 285 N -3.28 2.27 -0.12 1.61 0.08 -0.32 -1.82 117.98 116.40 1gqj s PHE 285 Ca 0.00 -0.41 -0.03 0.00 0.12 0.00 0.00 56.93 56.62 1gqj s PHE 285 Cb 0.00 -1.35 -0.03 0.00 -0.57 0.00 0.00 43.02 41.07 1gqj s PHE 285 CO 0.00 0.14 -0.02 -1.17 -0.10 0.00 0.00 175.22 174.07 1gqj s LEU 286 N -1.29 3.40 -0.11 -0.37 2.96 -0.29 0.32 118.68 123.30 1gqj s LEU 286 Ca 0.11 -0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1gqj s LEU 286 Cb -0.10 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.82 1gqj s LEU 286 CO 0.02 0.27 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.57 1gqj s VAL 287 N -0.24 0.94 -0.37 1.68 1.01 0.29 -1.59 120.40 122.13 1gqj s VAL 287 Ca 0.05 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 1gqj s VAL 287 Cb -0.13 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1gqj s VAL 287 CO 0.02 0.33 0.21 -0.75 0.00 0.00 0.00 175.10 174.91 1gqj s LYS 288 N 1.74 2.95 0.02 2.72 2.20 -1.26 -1.05 119.74 127.06 1gqj s LYS 288 Ca 0.05 -1.00 0.04 0.00 -0.36 0.00 0.00 55.97 54.70 1gqj s LYS 288 Cb -0.13 -3.73 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 1gqj s LYS 288 CO -0.08 -0.65 -0.12 0.00 -0.36 0.00 0.00 175.35 174.14 1gqj s ALA 289 N 1.58 1.02 -1.42 3.13 0.00 -1.26 -4.70 121.76 120.11 1gqj s ALA 289 Ca 0.03 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 1gqj s ALA 289 Cb -0.19 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 22.80 1gqj s ALA 289 CO 0.07 0.20 0.95 -0.25 0.00 0.00 0.00 175.76 176.73 1gqj n ASP 290 N 2.19 -3.94 -3.71 0.00 8.00 -0.43 -4.90 116.55 113.76 1gqj n ASP 290 Ca -0.17 -0.73 -0.12 0.00 0.71 0.00 0.00 54.79 54.47 1gqj n ASP 290 Cb 0.55 -4.23 -0.13 0.00 -0.02 0.00 0.00 41.12 37.29 1gqj n ASP 290 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1gqj s SER 291 N -3.67 -0.18 -1.48 -2.24 0.15 -1.20 -4.62 113.70 100.46 1gqj s SER 291 Ca 0.43 0.60 -0.06 0.00 0.70 0.00 0.00 55.95 57.61 1gqj s SER 291 Cb -0.21 0.53 0.03 0.00 -1.71 0.00 0.00 66.02 64.66 1gqj s SER 291 CO 0.80 -0.19 0.62 -0.62 1.20 0.00 0.00 173.24 175.06 1gqj n GLU 292 N 4.47 -4.72 -0.80 5.44 1.02 -1.26 -1.25 120.64 123.55 1gqj n GLU 292 Ca -0.21 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1gqj n GLU 292 Cb 0.53 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 26.32 1gqj n GLU 292 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gqj n GLY 293 N -1.47 0.76 3.79 0.62 0.00 -1.26 -5.04 105.19 102.59 1gqj n GLY 293 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1gqj n GLY 293 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gqj s GLN 294 N -0.20 4.35 0.80 1.61 -1.52 -0.38 -5.02 119.66 119.29 1gqj s GLN 294 Ca 0.00 0.89 -0.13 0.00 -1.95 0.00 0.00 55.36 54.16 1gqj s GLN 294 Cb 0.00 -3.27 0.08 0.00 -0.22 0.00 0.00 33.01 29.60 1gqj s GLN 294 CO 0.00 0.56 1.20 -2.14 -0.25 0.00 0.00 175.29 174.67 1gqj s PRO 295 N -0.94 1.70 0.03 2.91 0.02 -1.26 -1.32 135.00 136.14 1gqj s PRO 295 Ca 0.32 1.75 -0.27 0.00 0.02 0.00 0.00 61.00 62.82 1gqj s PRO 295 Cb -0.21 -1.78 0.09 0.00 0.02 0.00 0.00 34.50 32.62 1gqj s PRO 295 CO 0.21 -2.16 1.23 0.20 -0.33 0.00 0.00 177.00 176.15 1gqj s GLY 296 N -2.16 -0.06 0.28 0.52 0.00 -1.26 -2.56 107.32 102.06 1gqj s GLY 296 Ca 0.73 -0.06 -0.00 0.00 0.00 0.00 0.00 44.72 45.39 1gqj s GLY 296 CO 0.50 4.95 1.85 -2.55 0.00 0.00 0.00 173.10 177.84 1gqj h PRO 297 N 2.00 1.00 0.00 2.90 0.11 -1.86 -1.85 132.00 134.29 1gqj h PRO 297 Ca -0.23 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1gqj h PRO 297 Cb 1.19 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1gqj h PRO 297 CO 0.32 0.66 0.00 1.96 -0.21 0.00 0.00 178.00 180.74 1gqj h GLN 298 N 1.03 0.00 0.00 1.05 4.20 -1.83 0.22 115.11 119.77 1gqj h GLN 298 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1gqj h GLN 298 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1gqj h GLN 298 CO -0.24 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.33 1gqj n GLY 299 N -0.59 -1.25 0.05 3.46 0.00 -0.70 -2.38 105.19 103.79 1gqj n GLY 299 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1gqj n GLY 299 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gqj n TYR 300 N -1.82 0.00 -1.43 1.61 4.01 0.66 -4.97 117.16 115.23 1gqj n TYR 300 Ca 0.04 -0.82 -0.07 0.00 -0.16 0.00 0.00 57.90 56.88 1gqj n TYR 300 Cb 0.25 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 39.13 1gqj n TYR 300 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gqj n GLY 301 N -1.12 0.73 3.87 2.72 0.00 -1.00 -5.01 105.19 105.38 1gqj n GLY 301 Ca 0.11 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 1gqj n GLY 301 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqj s ARG 302 N -3.02 2.64 0.54 1.61 1.81 -0.54 -4.96 118.95 117.03 1gqj s ARG 302 Ca 0.00 -1.41 0.07 0.00 -1.72 0.00 0.00 55.73 52.68 1gqj s ARG 302 Cb 0.00 -2.44 0.06 0.00 -0.45 0.00 0.00 34.95 32.13 1gqj s ARG 302 CO 0.00 -0.05 0.75 0.16 -0.68 0.00 0.00 175.30 175.48 1gqj s ASP 303 N -4.06 5.19 0.30 0.23 1.47 -1.26 -2.91 116.67 115.63 1gqj s ASP 303 Ca 0.45 -0.60 0.09 0.00 1.18 0.00 0.00 52.55 53.67 1gqj s ASP 303 Cb -0.05 -0.11 0.48 0.00 -0.34 0.00 0.00 42.92 42.90 1gqj s ASP 303 CO 0.27 -1.21 1.70 0.45 0.68 0.00 0.00 175.17 177.06 1gqj h HIS 304 N 0.23 0.12 -0.34 2.11 3.86 -1.96 -1.84 115.15 117.33 1gqj h HIS 304 Ca -0.34 -0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 58.79 1gqj h HIS 304 Cb 1.28 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.71 1gqj h HIS 304 CO 0.34 0.56 0.08 0.00 0.86 0.00 0.00 177.93 179.77 1gqj h ALA 305 N 1.43 0.45 -0.56 2.45 0.00 -1.94 -0.02 119.26 121.08 1gqj h ALA 305 Ca 0.00 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1gqj h ALA 305 Cb 0.88 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1gqj h ALA 305 CO 0.07 0.13 0.25 0.93 0.00 0.00 0.00 179.25 180.62 1gqj h GLU 306 N 0.40 0.45 -0.11 0.00 5.08 -1.84 0.24 114.58 118.80 1gqj h GLU 306 Ca 0.11 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1gqj h GLU 306 Cb 0.31 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1gqj h GLU 306 CO 0.00 0.30 -0.02 0.78 -1.00 0.00 0.00 179.01 179.07 1gqj h GLY 307 N 0.46 0.22 0.97 -3.84 0.00 -1.29 -2.64 103.07 96.96 1gqj h GLY 307 Ca 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1gqj h GLY 307 CO -0.23 0.16 0.25 0.00 0.00 0.00 0.00 176.54 176.73 1gqj h ALA 308 N 0.69 0.64 -0.29 3.60 0.00 -0.76 -2.81 119.26 120.32 1gqj h ALA 308 Ca 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1gqj h ALA 308 Cb 0.43 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1gqj h ALA 308 CO 0.01 0.18 -0.06 -0.91 0.00 0.00 0.00 179.25 178.48 1gqj h ASN 309 N 0.65 0.44 -0.02 0.00 2.35 -0.57 0.13 115.58 118.56 1gqj h ASN 309 Ca 0.17 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1gqj h ASN 309 Cb 0.10 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1gqj h ASN 309 CO -0.02 0.55 0.01 -0.03 -1.65 0.00 0.00 177.43 176.29 1gqj h MET 310 N 0.44 0.03 -0.70 0.81 4.05 -1.35 0.60 114.93 118.81 1gqj h MET 310 Ca 0.09 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.54 1gqj h MET 310 Cb 0.38 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.13 1gqj h MET 310 CO 0.02 0.14 0.43 -0.07 0.23 0.00 0.00 176.91 177.66 1gqj h LEU 311 N -0.08 0.70 -0.86 3.39 3.38 -1.23 -2.77 115.31 117.83 1gqj h LEU 311 Ca 0.01 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1gqj h LEU 311 Cb 0.12 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1gqj h LEU 311 CO -0.00 0.47 0.56 0.00 0.09 0.00 0.00 178.44 179.56 1gqj h ALA 312 N 1.32 1.09 -0.39 1.53 0.00 -0.60 -2.44 119.26 119.76 1gqj h ALA 312 Ca 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1gqj h ALA 312 Cb 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1gqj h ALA 312 CO -0.13 0.50 0.20 0.00 0.00 0.00 0.00 179.25 179.82 1gqj h ALA 313 N 1.31 1.63 -0.19 0.00 0.00 -0.63 0.23 119.26 121.62 1gqj h ALA 313 Ca 0.31 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1gqj h ALA 313 Cb -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1gqj h ALA 313 CO -0.07 0.31 -0.37 0.00 0.00 0.00 0.00 179.25 179.12 1gqj h ALA 314 N 1.69 1.02 0.00 0.00 0.00 -1.20 -3.27 119.26 117.50 1gqj h ALA 314 Ca 0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1gqj h ALA 314 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1gqj h ALA 314 CO -0.02 0.60 -1.21 1.28 0.00 0.00 0.00 179.25 179.90 1gqj n LEU 315 N -4.05 0.75 -0.17 0.00 4.77 -0.81 -4.56 117.00 112.93 1gqj n LEU 315 Ca -0.01 0.30 -0.02 0.00 -0.03 0.00 0.00 56.01 56.24 1gqj n LEU 315 Cb 0.47 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.59 1gqj n LEU 315 CO 0.43 -0.09 0.79 0.50 -1.33 0.00 0.00 177.39 177.68 1gqj h LYS 316 N 0.00 0.03 -0.05 3.23 1.63 -0.61 -0.69 116.57 120.11 1gqj h LYS 316 Ca -0.04 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1gqj h LYS 316 Cb 1.13 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1gqj h LYS 316 CO 0.01 0.02 0.10 -1.35 -3.45 0.00 0.00 179.45 174.78 1gqj h PRO 317 N 0.03 0.00 -0.06 1.90 0.11 -1.80 -1.67 132.00 130.50 1gqj h PRO 317 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1gqj h PRO 317 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1gqj h PRO 317 CO -0.50 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.48 1gqj n PHE 318 N -3.44 0.05 -0.79 0.65 3.72 -0.34 -4.97 117.46 112.34 1gqj n PHE 318 Ca -0.02 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1gqj n PHE 318 Cb 0.19 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1gqj n PHE 318 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gqj n GLY 319 N 1.24 0.56 3.88 1.37 0.00 -0.63 -4.93 105.19 106.69 1gqj n GLY 319 Ca 0.13 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 1gqj n GLY 319 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gqj s GLY 320 N -2.34 1.74 0.17 -0.02 0.00 -0.76 -4.98 107.32 101.13 1gqj s GLY 320 Ca 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 44.72 44.64 1gqj s GLY 320 CO 0.00 0.06 -0.20 -1.34 0.00 0.00 0.00 173.10 171.62 1gqj s VAL 321 N -2.81 1.93 -0.25 1.40 -7.23 -0.33 -4.39 120.40 108.72 1gqj s VAL 321 Ca 0.53 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.70 1gqj s VAL 321 Cb -0.10 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 1gqj s VAL 321 CO 0.43 -0.26 0.07 -0.69 -0.31 0.00 0.00 175.10 174.34 1gqj s VAL 322 N -1.93 4.30 -0.54 1.32 1.01 -0.16 -1.17 120.40 123.24 1gqj s VAL 322 Ca 0.16 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 1gqj s VAL 322 Cb -0.06 -3.01 0.09 0.00 0.00 0.00 0.00 36.38 33.40 1gqj s VAL 322 CO 0.07 0.35 0.59 -0.36 0.00 0.00 0.00 175.10 175.75 1gqj s PHE 323 N 1.56 3.10 -0.30 5.22 0.08 0.15 -0.25 117.98 127.56 1gqj s PHE 323 Ca 0.06 -0.92 -0.10 0.00 0.12 0.00 0.00 56.93 56.09 1gqj s PHE 323 Cb -0.15 -3.70 -0.03 0.00 -0.57 0.00 0.00 43.02 38.57 1gqj s PHE 323 CO 0.03 -1.09 0.17 -0.46 -0.10 0.00 0.00 175.22 173.78 1gqj s TRP 324 N 2.27 3.19 0.16 0.36 -0.11 0.18 -0.55 118.94 124.44 1gqj s TRP 324 Ca 0.09 -0.23 -0.30 0.00 1.22 0.00 0.00 56.10 56.88 1gqj s TRP 324 Cb -0.24 -2.37 -0.07 0.00 -1.50 0.00 0.00 33.47 29.29 1gqj s TRP 324 CO 0.07 -0.32 1.10 1.03 -4.62 0.00 0.00 176.95 174.21 1gqj s ARG 325 N 1.69 4.58 0.00 5.86 0.52 -0.22 -0.32 118.95 131.06 1gqj s ARG 325 Ca 0.06 1.71 0.15 0.00 -0.52 0.00 0.00 55.73 57.13 1gqj s ARG 325 Cb -0.16 -3.29 0.52 0.00 0.52 0.00 0.00 34.95 32.54 1gqj s ARG 325 CO 0.08 0.04 1.39 0.00 0.02 0.00 0.00 175.30 176.84 1gqj n ALA 326 N 2.59 2.49 -2.47 2.13 0.00 0.03 -4.68 120.51 120.60 1gqj n ALA 326 Ca 0.03 -0.52 -0.40 0.00 0.00 0.00 0.00 53.44 52.56 1gqj n ALA 326 Cb 0.46 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 1gqj n ALA 326 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1gqj s PHE 327 N -1.69 2.58 -0.01 0.00 5.36 -1.26 -4.71 117.98 118.25 1gqj s PHE 327 Ca 0.26 -1.10 0.02 0.00 -0.96 0.00 0.00 56.93 55.15 1gqj s PHE 327 Cb 0.14 -4.60 -0.00 0.00 -0.34 0.00 0.00 43.02 38.22 1gqj s PHE 327 CO 0.20 -1.71 -0.06 0.08 -1.46 0.00 0.00 175.22 172.26 1gqj s VAL 328 N 5.70 0.52 -0.30 3.12 1.01 -1.26 -4.77 120.40 124.41 1gqj s VAL 328 Ca 0.56 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 1gqj s VAL 328 Cb 0.02 -0.44 0.16 0.00 0.00 0.00 0.00 36.38 36.12 1gqj s VAL 328 CO 0.07 0.15 0.86 -0.72 0.00 0.00 0.00 175.10 175.46 1gqj s TYR 329 N -0.07 -0.94 0.23 5.22 -0.85 -1.26 -3.65 117.35 116.02 1gqj s TYR 329 Ca 0.01 1.42 -0.21 0.00 -0.52 0.00 0.00 57.07 57.77 1gqj s TYR 329 Cb -0.03 0.48 -0.08 0.00 0.38 0.00 0.00 41.96 42.71 1gqj s TYR 329 CO -0.00 -0.49 0.76 -1.01 -1.52 0.00 0.00 175.55 173.29 1gqj s HIS 330 N 2.69 3.69 0.59 -3.49 3.76 -1.26 -4.80 115.29 116.47 1gqj s HIS 330 Ca 0.01 1.48 0.29 0.00 -0.15 0.00 0.00 55.06 56.69 1gqj s HIS 330 Cb -0.09 -2.68 1.79 0.00 1.11 0.00 0.00 32.58 32.71 1gqj s HIS 330 CO -0.17 0.34 2.23 -1.00 -0.85 0.00 0.00 174.74 175.28 1gqj h PRO 331 N 3.50 0.00 -0.00 8.40 0.13 -2.02 -3.18 132.00 138.83 1gqj h PRO 331 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1gqj h PRO 331 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1gqj h PRO 331 CO 0.65 0.00 -0.03 -0.40 -0.23 0.00 0.00 178.00 177.99 1gqj n ASP 332 N -3.84 0.08 -4.85 1.44 5.68 -1.26 -4.88 116.55 108.92 1gqj n ASP 332 Ca -0.02 -0.10 -0.32 0.00 -0.50 0.00 0.00 54.79 53.85 1gqj n ASP 332 Cb 0.13 -0.28 -0.01 0.00 -1.14 0.00 0.00 41.12 39.83 1gqj n ASP 332 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1gqj s ILE 333 N -2.64 4.57 0.22 2.12 -4.36 -1.20 -4.98 121.20 114.92 1gqj s ILE 333 Ca 0.26 1.02 0.06 0.00 -0.26 0.00 0.00 60.65 61.73 1gqj s ILE 333 Cb 0.20 -3.76 -0.08 0.00 1.25 0.00 0.00 42.46 40.06 1gqj s ILE 333 CO 0.48 -0.91 1.50 1.05 0.24 0.00 0.00 174.94 177.30 1gqj h GLU 334 N 0.24 0.12 -2.96 0.37 4.11 -1.93 -3.42 114.58 111.10 1gqj h GLU 334 Ca -0.45 -0.10 -0.44 0.00 0.07 0.00 0.00 59.36 58.43 1gqj h GLU 334 Cb 1.19 0.02 -0.40 0.00 0.50 0.00 0.00 28.75 30.06 1gqj h GLU 334 CO 0.61 0.79 -0.73 0.34 0.07 0.00 0.00 179.01 180.09 1gqj s ASP 335 N -6.87 2.23 0.33 3.06 2.15 -1.26 -5.02 116.67 111.29 1gqj s ASP 335 Ca -0.02 -0.57 0.11 0.00 0.43 0.00 0.00 52.55 52.49 1gqj s ASP 335 Cb 0.12 -0.15 0.95 0.00 -0.30 0.00 0.00 42.92 43.54 1gqj s ASP 335 CO 0.80 -0.35 1.70 -0.09 -0.17 0.00 0.00 175.17 177.06 1gqj h ARG 336 N 8.40 0.45 -1.00 4.34 2.43 -1.93 -0.43 114.38 126.65 1gqj h ARG 336 Ca -0.15 -0.03 0.28 0.00 -0.81 0.00 0.00 59.98 59.27 1gqj h ARG 336 Cb 1.15 -0.10 -0.14 0.00 -0.42 0.00 0.00 29.97 30.46 1gqj h ARG 336 CO 0.29 0.30 0.57 0.35 -1.51 0.00 0.00 179.97 179.98 1gqj h PHE 337 N 0.47 0.96 0.00 2.20 3.04 -1.95 -0.25 116.94 121.40 1gqj h PHE 337 Ca 0.67 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.66 1gqj h PHE 337 Cb 1.39 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.63 1gqj h PHE 337 CO -0.02 -0.05 0.00 0.00 -2.02 0.00 0.00 178.31 176.22 1gqj h ARG 338 N 0.46 0.00 -0.08 1.11 3.08 -1.43 -3.42 114.38 114.09 1gqj h ARG 338 Ca 0.68 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.74 1gqj h ARG 338 Cb 1.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 1gqj h ARG 338 CO -0.54 0.00 -0.10 0.78 -1.07 0.00 0.00 179.97 179.05 1gqj h GLY 339 N 2.94 -1.86 0.69 0.04 0.00 -1.10 -2.13 103.07 101.66 1gqj h GLY 339 Ca 0.00 0.85 0.05 0.00 0.00 0.00 0.00 47.33 48.23 1gqj h GLY 339 CO 0.00 -0.66 0.23 0.00 0.00 0.00 0.00 176.54 176.11 1gqj h ALA 340 N -1.04 0.62 -0.16 3.60 0.00 -1.79 -0.90 119.26 119.60 1gqj h ALA 340 Ca 0.01 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1gqj h ALA 340 Cb 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1gqj h ALA 340 CO -0.11 -0.12 0.07 -0.92 0.00 0.00 0.00 179.25 178.17 1gqj h TYR 341 N 0.46 0.13 0.00 0.00 5.03 -1.85 -0.76 116.97 119.98 1gqj h TYR 341 Ca 0.22 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.52 1gqj h TYR 341 Cb 0.15 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.39 1gqj h TYR 341 CO -0.11 0.07 -0.09 -0.44 -1.32 0.00 0.00 178.16 176.27 1gqj h ASP 342 N 0.16 0.00 0.28 -2.11 3.32 -0.94 -0.82 116.42 116.30 1gqj h ASP 342 Ca 0.07 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.78 1gqj h ASP 342 Cb 0.02 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.61 1gqj h ASP 342 CO -0.05 0.09 -1.48 -0.33 -1.72 0.00 0.00 179.24 175.74 1gqj h GLU 343 N 0.00 0.53 0.00 3.56 4.39 -0.54 -3.41 114.58 119.12 1gqj h GLU 343 Ca -0.00 -0.91 -0.16 0.00 0.34 0.00 0.00 59.36 58.63 1gqj h GLU 343 Cb 0.34 0.34 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 1gqj h GLU 343 CO 0.01 1.43 -2.12 1.19 -1.16 0.00 0.00 179.01 178.37 1gqj n PHE 344 N -3.71 0.00 -0.23 4.33 3.72 -0.35 -4.50 117.46 116.73 1gqj n PHE 344 Ca -0.17 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.24 1gqj n PHE 344 Cb 1.10 -0.69 0.13 0.00 -0.94 0.00 0.00 39.48 39.08 1gqj n PHE 344 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1gqj h MET 345 N 0.00 0.48 0.00 -1.08 2.86 -1.37 -0.17 114.93 115.65 1gqj h MET 345 Ca -0.24 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1gqj h MET 345 Cb 1.52 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.07 1gqj h MET 345 CO 0.01 0.32 0.00 -1.35 1.06 0.00 0.00 176.91 176.95 1gqj h PRO 346 N 0.50 0.00 -0.02 -0.22 0.11 -1.81 -2.41 132.00 128.15 1gqj h PRO 346 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1gqj h PRO 346 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1gqj h PRO 346 CO -0.30 0.00 -0.07 1.28 -0.21 0.00 0.00 178.00 178.70 1gqj n LEU 347 N -2.32 2.48 -4.68 2.35 4.77 -0.11 -4.95 117.00 114.54 1gqj n LEU 347 Ca -0.01 -0.96 -0.45 0.00 -0.03 0.00 0.00 56.01 54.56 1gqj n LEU 347 Cb 0.05 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1gqj n LEU 347 CO 0.11 0.43 1.34 -0.67 -1.33 0.00 0.00 177.39 177.27 1gqj n ASP 348 N 0.89 3.54 0.00 -1.43 2.03 -0.91 -0.23 116.55 120.44 1gqj n ASP 348 Ca 0.11 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1gqj n ASP 348 Cb 0.47 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 1gqj n ASP 348 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gqj n GLY 349 N 3.86 1.75 0.27 0.27 0.00 -1.23 -4.90 105.19 105.22 1gqj n GLY 349 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1gqj n GLY 349 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gqj n LYS 350 N -2.00 0.84 -3.27 1.61 5.02 0.69 -4.91 118.16 116.14 1gqj n LYS 350 Ca 0.00 -0.55 -0.38 0.00 -2.02 0.00 0.00 58.31 55.36 1gqj n LYS 350 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 1gqj n LYS 350 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1gqj s PHE 351 N -2.54 3.77 0.86 2.13 0.08 -1.26 -4.88 117.98 116.15 1gqj s PHE 351 Ca 0.22 1.26 -0.11 0.00 0.12 0.00 0.00 56.93 58.42 1gqj s PHE 351 Cb 0.19 -2.49 0.11 0.00 -0.57 0.00 0.00 43.02 40.26 1gqj s PHE 351 CO 0.55 0.55 1.13 0.00 -0.10 0.00 0.00 175.22 177.35 1gqj s ALA 352 N -1.19 1.77 0.56 5.36 0.00 -1.26 -4.90 121.76 122.10 1gqj s ALA 352 Ca 0.31 0.51 0.42 0.00 0.00 0.00 0.00 51.96 53.20 1gqj s ALA 352 Cb -0.19 -3.40 2.21 0.00 0.00 0.00 0.00 23.12 21.75 1gqj s ALA 352 CO 0.19 -2.38 2.30 0.38 0.00 0.00 0.00 175.76 176.25 1gqj h ASP 353 N -1.52 0.00 -0.51 0.00 3.04 -1.99 -1.47 116.42 113.96 1gqj h ASP 353 Ca -0.43 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 1gqj h ASP 353 Cb 1.26 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 1gqj h ASP 353 CO 0.45 0.00 0.00 -0.46 -2.04 0.00 0.00 179.24 177.20 1gqj n ASN 354 N -3.13 4.98 -4.67 4.15 6.94 -1.26 -4.78 115.26 117.49 1gqj n ASN 354 Ca -0.02 -2.80 -0.35 0.00 -0.02 0.00 0.00 54.58 51.39 1gqj n ASN 354 Cb 0.12 -0.61 -0.09 0.00 -2.36 0.00 0.00 39.78 36.83 1gqj n ASN 354 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1gqj s VAL 355 N -2.48 4.85 -0.11 3.53 1.01 -0.56 -0.98 120.40 125.66 1gqj s VAL 355 Ca 0.50 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.48 1gqj s VAL 355 Cb 0.37 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.60 1gqj s VAL 355 CO 0.17 0.49 -0.15 -0.63 0.00 0.00 0.00 175.10 174.97 1gqj s ILE 356 N 0.10 1.50 -0.28 2.22 1.01 0.66 -4.26 121.20 122.14 1gqj s ILE 356 Ca 0.05 -0.64 -0.25 0.00 0.00 0.00 0.00 60.65 59.81 1gqj s ILE 356 Cb -0.12 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1gqj s ILE 356 CO 0.01 0.44 0.84 -0.22 0.00 0.00 0.00 174.94 176.01 1gqj s LEU 357 N 0.98 4.07 -0.37 2.97 2.96 0.23 -0.65 118.68 128.86 1gqj s LEU 357 Ca -0.07 0.87 -0.17 0.00 -0.22 0.00 0.00 54.13 54.54 1gqj s LEU 357 Cb -0.15 -3.19 0.00 0.00 0.50 0.00 0.00 46.19 43.36 1gqj s LEU 357 CO -0.01 -0.61 0.47 -1.58 -1.32 0.00 0.00 176.35 173.29 1gqj s GLN 358 N 3.00 3.44 -0.11 1.98 0.74 0.56 -1.11 119.66 128.15 1gqj s GLN 358 Ca 0.35 -0.40 0.02 0.00 0.05 0.00 0.00 55.36 55.38 1gqj s GLN 358 Cb -0.14 -3.86 -0.01 0.00 1.10 0.00 0.00 33.01 30.10 1gqj s GLN 358 CO 0.11 -0.70 -0.20 0.42 -0.55 0.00 0.00 175.29 174.37 1gqj s ILE 359 N 2.27 2.46 0.84 -2.34 1.01 -0.29 -0.79 121.20 124.36 1gqj s ILE 359 Ca 0.16 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 1gqj s ILE 359 Cb -0.16 -1.98 0.10 0.00 0.01 0.00 0.00 42.46 40.43 1gqj s ILE 359 CO 0.13 0.55 1.14 -0.54 0.00 0.00 0.00 174.94 176.22 1gqj s LYS 360 N 0.35 1.55 0.48 2.79 1.02 -1.26 -0.29 119.74 124.39 1gqj s LYS 360 Ca -0.16 1.48 0.19 0.00 0.02 0.00 0.00 55.97 57.50 1gqj s LYS 360 Cb -0.17 -1.79 1.20 0.00 -0.52 0.00 0.00 37.83 36.55 1gqj s LYS 360 CO 0.08 -2.22 2.05 -2.95 -0.92 0.00 0.00 175.35 171.39 1gqj h ASN 361 N -1.40 0.00 -2.79 2.83 -1.07 -1.89 -3.42 115.58 107.85 1gqj h ASN 361 Ca -0.44 0.00 -0.52 0.00 0.07 0.00 0.00 56.30 55.41 1gqj h ASN 361 Cb 1.26 0.00 -0.14 0.00 -2.07 0.00 0.00 38.32 37.38 1gqj h ASN 361 CO 0.46 0.13 -0.61 -0.83 0.07 0.00 0.00 177.43 176.65 1gqj s GLY 362 N -4.17 2.20 0.28 9.14 0.00 -1.26 -0.45 107.32 113.06 1gqj s GLY 362 Ca -0.04 -2.13 0.25 0.00 0.00 0.00 0.00 44.72 42.80 1gqj s GLY 362 CO 0.66 -1.90 1.73 -0.56 0.00 0.00 0.00 173.10 173.03 1gqj h PRO 363 N 2.02 0.00 0.00 2.90 0.13 -1.85 -3.43 132.00 131.77 1gqj h PRO 363 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1gqj h PRO 363 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1gqj h PRO 363 CO 0.73 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.61 1gqj n ILE 364 N -2.51 0.00 -2.72 -3.56 2.08 -1.26 -4.74 119.36 106.65 1gqj n ILE 364 Ca 0.05 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.31 1gqj n ILE 364 Cb 0.45 -0.30 0.03 0.00 -0.75 0.00 0.00 39.64 39.07 1gqj n ILE 364 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1gqj n ASP 365 N 0.00 -2.60 -1.90 4.38 2.03 -1.26 -5.00 116.55 112.20 1gqj n ASP 365 Ca 0.00 -2.32 -0.19 0.00 0.52 0.00 0.00 54.79 52.80 1gqj n ASP 365 Cb 0.00 1.38 -0.05 0.00 -0.72 0.00 0.00 41.12 41.73 1gqj n ASP 365 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1gqj n PHE 366 N 2.49 -0.52 -1.67 -0.67 3.72 -1.26 -4.91 117.46 114.64 1gqj n PHE 366 Ca 0.13 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.20 1gqj n PHE 366 Cb 0.61 -3.42 0.06 0.00 -0.94 0.00 0.00 39.48 35.79 1gqj n PHE 366 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1gqj s GLN 367 N -4.19 2.67 0.34 -1.08 -1.52 -1.26 -4.77 119.66 109.84 1gqj s GLN 367 Ca 0.00 1.41 0.14 0.00 -1.95 0.00 0.00 55.36 54.95 1gqj s GLN 367 Cb 0.00 -1.93 1.08 0.00 -0.22 0.00 0.00 33.01 31.94 1gqj s GLN 367 CO 0.00 -1.36 1.64 -1.35 -0.25 0.00 0.00 175.29 173.97 1gqj h PRO 368 N -0.13 0.24 -3.36 2.91 0.11 -1.91 -3.32 132.00 126.54 1gqj h PRO 368 Ca -0.46 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.30 1gqj h PRO 368 Cb 1.25 -0.05 -0.36 0.00 0.11 0.00 0.00 31.00 31.94 1gqj h PRO 368 CO 0.53 0.16 -0.72 0.50 -0.21 0.00 0.00 178.00 178.26 1gqj s ARG 369 N -5.68 -0.04 0.09 1.05 3.52 -1.26 -4.90 118.95 111.72 1gqj s ARG 369 Ca -0.10 0.33 0.07 0.00 -0.13 0.00 0.00 55.73 55.90 1gqj s ARG 369 Cb 0.30 -0.37 -0.03 0.00 -1.56 0.00 0.00 34.95 33.29 1gqj s ARG 369 CO 0.79 -0.26 -0.18 -1.21 -0.81 0.00 0.00 175.30 173.63 1gqj s GLU 370 N 1.72 1.01 0.82 5.12 2.02 -1.25 -4.97 118.70 123.17 1gqj s GLU 370 Ca -0.01 -1.10 -0.11 0.00 0.02 0.00 0.00 54.97 53.77 1gqj s GLU 370 Cb -0.12 -1.15 0.08 0.00 0.10 0.00 0.00 34.13 33.04 1gqj s GLU 370 CO -0.03 0.26 1.09 -1.25 0.02 0.00 0.00 175.26 175.35 1gqj s PRO 371 N -1.92 1.88 0.48 0.39 0.04 -1.26 -4.87 135.00 129.74 1gqj s PRO 371 Ca 0.04 1.01 -0.23 0.00 0.04 0.00 0.00 61.00 61.86 1gqj s PRO 371 Cb -0.10 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1gqj s PRO 371 CO 0.04 -1.86 1.22 -0.59 0.04 0.00 0.00 177.00 175.84 1gqj s PHE 372 N -2.93 2.71 0.11 0.56 -0.12 -1.26 -4.25 117.98 112.80 1gqj s PHE 372 Ca 0.62 1.49 -0.31 0.00 -0.05 0.00 0.00 56.93 58.68 1gqj s PHE 372 Cb -0.17 -3.49 -0.10 0.00 -0.63 0.00 0.00 43.02 38.63 1gqj s PHE 372 CO 0.56 -1.89 1.85 -1.12 -0.05 0.00 0.00 175.22 174.57 1gqj s SER 373 N -1.26 6.43 0.50 1.98 0.01 0.41 -4.74 113.70 117.03 1gqj s SER 373 Ca 0.66 2.73 0.15 0.00 1.31 0.00 0.00 55.95 60.80 1gqj s SER 373 Cb -0.32 -2.56 1.20 0.00 0.21 0.00 0.00 66.02 64.55 1gqj s SER 373 CO 0.38 -1.01 2.13 0.00 0.41 0.00 0.00 173.24 175.15 1gqj h ALA 374 N 8.93 1.95 -0.88 1.44 0.00 -1.91 -1.95 119.26 126.83 1gqj h ALA 374 Ca -0.46 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 54.65 1gqj h ALA 374 Cb 1.22 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1gqj h ALA 374 CO 0.95 0.05 0.60 -0.07 0.00 0.00 0.00 179.25 180.77 1gqj h LEU 375 N 0.09 0.29 -0.99 0.00 3.38 -1.89 -1.64 115.31 114.55 1gqj h LEU 375 Ca 0.02 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.10 1gqj h LEU 375 Cb -0.01 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 1gqj h LEU 375 CO -0.00 0.11 0.63 -0.26 0.09 0.00 0.00 178.44 179.01 1gqj h PHE 376 N 0.29 1.17 -0.00 1.13 0.04 -1.73 -0.82 116.94 117.02 1gqj h PHE 376 Ca 0.45 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.25 1gqj h PHE 376 Cb 1.30 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1gqj h PHE 376 CO -0.00 0.59 -0.42 0.00 -0.60 0.00 0.00 178.31 177.88 1gqj n ALA 377 N -2.36 3.41 -0.13 2.45 0.00 -0.68 -4.42 120.51 118.78 1gqj n ALA 377 Ca 0.15 -0.41 -0.18 0.00 0.00 0.00 0.00 53.44 53.00 1gqj n ALA 377 Cb 0.20 -1.08 -0.11 0.00 0.00 0.00 0.00 19.45 18.45 1gqj n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gqj n GLY 378 N 1.42 -0.35 3.59 0.00 0.00 -0.83 -4.78 105.19 104.24 1gqj n GLY 378 Ca 0.09 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1gqj n GLY 378 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1gqj s MET 379 N -2.50 3.71 0.00 1.61 -1.94 -0.36 -4.88 119.30 114.94 1gqj s MET 379 Ca -0.34 0.51 0.14 0.00 -1.71 0.00 0.00 55.69 54.29 1gqj s MET 379 Cb 0.09 -3.89 0.05 0.00 2.01 0.00 0.00 34.83 33.09 1gqj s MET 379 CO 0.57 -1.27 0.86 -1.13 -0.01 0.00 0.00 175.02 174.04 1gqj n SER 380 N 7.52 1.80 -0.36 3.03 3.41 -1.26 -4.53 113.62 123.23 1gqj n SER 380 Ca 0.10 -1.40 0.03 0.00 -0.26 0.00 0.00 58.87 57.34 1gqj n SER 380 Cb 0.49 0.27 0.04 0.00 -0.26 0.00 0.00 64.21 64.75 1gqj n SER 380 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gqj n ARG 381 N 0.25 0.41 -4.28 4.33 1.74 -1.26 -4.68 116.66 113.18 1gqj n ARG 381 Ca 0.07 -1.48 -0.17 0.00 -0.77 0.00 0.00 57.85 55.50 1gqj n ARG 381 Cb 0.33 -0.81 -0.14 0.00 -1.02 0.00 0.00 32.46 30.82 1gqj n ARG 381 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1gqj s THR 382 N -0.88 0.62 0.19 0.55 2.01 -1.26 -3.46 115.64 113.39 1gqj s THR 382 Ca 0.10 -0.40 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 1gqj s THR 382 Cb 0.09 -0.53 -0.08 0.00 0.01 0.00 0.00 72.50 71.98 1gqj s THR 382 CO 0.01 0.12 1.19 0.20 -0.69 0.00 0.00 174.62 175.45 1gqj s ASN 383 N -0.31 7.10 0.17 3.53 0.01 -1.26 -4.96 114.94 119.22 1gqj s ASN 383 Ca 0.02 2.23 0.09 0.00 -0.71 0.00 0.00 52.86 54.48 1gqj s ASN 383 Cb -0.04 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1gqj s ASN 383 CO -0.00 -0.35 -0.18 -0.04 -1.51 0.00 0.00 177.10 175.01 1gqj s MET 384 N -0.30 1.29 0.03 -0.60 -1.94 -1.26 -0.60 119.30 115.91 1gqj s MET 384 Ca 0.52 -1.42 -0.11 0.00 -1.71 0.00 0.00 55.69 52.97 1gqj s MET 384 Cb -0.32 -1.34 0.01 0.00 2.01 0.00 0.00 34.83 35.19 1gqj s MET 384 CO 0.37 0.27 0.23 0.00 -0.01 0.00 0.00 175.02 175.88 1gqj s MET 385 N -2.84 0.70 0.21 2.03 0.23 -0.27 -3.98 119.30 115.38 1gqj s MET 385 Ca 0.16 -0.54 -0.15 0.00 -1.03 0.00 0.00 55.69 54.13 1gqj s MET 385 Cb -0.06 0.30 -0.08 0.00 -1.53 0.00 0.00 34.83 33.46 1gqj s MET 385 CO 0.07 -0.21 0.63 1.41 -2.03 0.00 0.00 175.02 174.89 1gqj s MET 386 N -2.34 4.04 -0.19 3.16 1.75 -0.87 -1.14 119.30 123.70 1gqj s MET 386 Ca -0.07 0.60 0.01 0.00 -1.25 0.00 0.00 55.69 54.98 1gqj s MET 386 Cb -0.02 -2.80 0.04 0.00 2.84 0.00 0.00 34.83 34.89 1gqj s MET 386 CO -0.02 0.38 -0.13 -2.00 -0.65 0.00 0.00 175.02 172.60 1gqj s GLU 387 N -2.24 2.27 0.17 4.11 2.12 0.60 0.66 118.70 126.39 1gqj s GLU 387 Ca 0.43 -0.84 0.08 0.00 0.36 0.00 0.00 54.97 55.01 1gqj s GLU 387 Cb -0.14 -2.43 -0.04 0.00 0.26 0.00 0.00 34.13 31.78 1gqj s GLU 387 CO 0.20 -0.37 -0.07 -0.06 -0.54 0.00 0.00 175.26 174.42 1gqj s PHE 388 N 1.36 2.70 -0.19 5.30 2.99 -0.18 -2.51 117.98 127.46 1gqj s PHE 388 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 56.93 56.67 1gqj s PHE 388 Cb -0.15 -1.33 -0.04 0.00 0.00 0.00 0.00 43.02 41.50 1gqj s PHE 388 CO -0.09 0.50 0.04 -1.14 -0.00 0.00 0.00 175.22 174.53 1gqj s GLN 389 N -2.75 3.88 -0.27 0.44 0.74 -1.26 -0.96 119.66 119.48 1gqj s GLN 389 Ca 0.25 -0.39 -0.12 0.00 0.05 0.00 0.00 55.36 55.14 1gqj s GLN 389 Cb -0.09 -3.17 -0.12 0.00 1.10 0.00 0.00 33.01 30.72 1gqj s GLN 389 CO 0.16 0.20 -0.33 -0.89 -0.55 0.00 0.00 175.29 173.88 1gqj n ILE 390 N 3.72 1.47 -1.68 -2.34 -0.00 0.01 -4.89 119.36 115.65 1gqj n ILE 390 Ca -0.17 -0.39 -0.43 0.00 -0.00 0.00 0.00 62.75 61.76 1gqj n ILE 390 Cb 0.52 -1.82 -0.01 0.00 -0.00 0.00 0.00 39.64 38.34 1gqj n ILE 390 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1gqj n THR 391 N -4.10 1.98 -2.07 1.39 5.66 -0.42 -4.83 114.28 111.88 1gqj n THR 391 Ca -0.52 -0.50 -0.41 0.00 -3.05 0.00 0.00 64.05 59.58 1gqj n THR 391 Cb 0.88 -1.46 -0.00 0.00 -1.55 0.00 0.00 70.33 68.20 1gqj n THR 391 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gqj n GLN 392 N 0.61 4.31 -0.28 1.09 6.02 -1.26 -4.63 117.38 123.24 1gqj n GLN 392 Ca 0.06 -3.45 0.05 0.00 -0.01 0.00 0.00 57.00 53.65 1gqj n GLN 392 Cb 0.35 -2.71 0.27 0.00 1.02 0.00 0.00 30.24 29.17 1gqj n GLN 392 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1gqj h GLU 393 N 4.92 0.92 -0.08 -1.09 4.81 -1.88 0.63 114.58 122.81 1gqj h GLU 393 Ca 0.62 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 1gqj h GLU 393 Cb 0.39 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1gqj h GLU 393 CO 1.53 0.61 0.00 0.66 -0.73 0.00 0.00 179.01 181.08 1gqj n TYR 394 N -4.50 0.11 -1.24 0.92 4.01 -1.26 -4.53 117.16 110.66 1gqj n TYR 394 Ca 0.13 -0.33 0.07 0.00 -0.16 0.00 0.00 57.90 57.62 1gqj n TYR 394 Cb 0.23 -0.03 0.10 0.00 -0.31 0.00 0.00 39.34 39.33 1gqj n TYR 394 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1gqj n PHE 395 N -0.02 0.00 0.00 -0.72 3.72 -1.10 -4.76 117.46 114.57 1gqj n PHE 395 Ca 0.03 -0.75 0.00 0.00 -0.05 0.00 0.00 57.45 56.69 1gqj n PHE 395 Cb 0.24 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 1gqj n PHE 395 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gqj n GLY 396 N -1.07 2.00 7.00 1.37 0.00 -1.05 -4.56 105.19 108.88 1gqj n GLY 396 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1gqj n GLY 396 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gqj n PHE 397 N -0.93 0.00 -0.29 1.61 3.01 0.19 -1.77 117.46 119.28 1gqj n PHE 397 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.52 1gqj n PHE 397 Cb 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 39.64 1gqj n PHE 397 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1gqj n ALA 398 N 12.43 2.29 -0.03 4.37 0.00 -1.26 -4.35 120.51 133.96 1gqj n ALA 398 Ca 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 53.44 52.17 1gqj n ALA 398 Cb 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 19.45 18.83 1gqj n ALA 398 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1gqj n THR 399 N 0.40 0.40 -3.39 0.00 -2.24 -0.73 -3.99 114.28 104.74 1gqj n THR 399 Ca 0.13 -0.52 -0.37 0.00 -2.27 0.00 0.00 64.05 61.02 1gqj n THR 399 Cb 0.49 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 1gqj n THR 399 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1gqj s HIS 400 N -2.96 3.48 -0.21 4.78 3.76 -0.87 -4.21 115.29 119.07 1gqj s HIS 400 Ca -0.07 0.77 -0.27 0.00 -0.15 0.00 0.00 55.06 55.34 1gqj s HIS 400 Cb 0.09 -2.49 -0.00 0.00 1.11 0.00 0.00 32.58 31.29 1gqj s HIS 400 CO 0.73 0.17 0.95 -1.17 -0.85 0.00 0.00 174.74 174.57 1gqj s LEU 401 N 0.66 4.13 -0.44 0.89 0.20 -1.26 -4.88 118.68 117.98 1gqj s LEU 401 Ca 0.22 1.29 0.07 0.00 0.69 0.00 0.00 54.13 56.40 1gqj s LEU 401 Cb -0.14 -3.41 0.18 0.00 -0.43 0.00 0.00 46.19 42.38 1gqj s LEU 401 CO 0.08 -0.56 0.61 0.00 -0.29 0.00 0.00 176.35 176.19 1gqj s ALA 402 N 2.78 -1.76 -0.03 5.97 0.00 -1.26 -4.77 121.76 122.70 1gqj s ALA 402 Ca 0.42 -0.35 -0.34 0.00 0.00 0.00 0.00 51.96 51.69 1gqj s ALA 402 Cb -0.16 -2.56 -0.12 0.00 0.00 0.00 0.00 23.12 20.28 1gqj s ALA 402 CO 0.09 -2.20 1.81 0.98 0.00 0.00 0.00 175.76 176.44 1gqj n TYR 403 N 3.79 2.32 1.18 0.00 9.36 -1.26 -4.87 117.16 127.69 1gqj n TYR 403 Ca 0.15 0.05 0.13 0.00 3.32 0.00 0.00 57.90 61.54 1gqj n TYR 403 Cb 0.54 -2.64 0.25 0.00 -0.63 0.00 0.00 39.34 36.86 1gqj n TYR 403 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1gqj n GLN 404 N 5.91 1.85 -0.27 2.98 1.13 -1.26 -4.04 117.38 123.68 1gqj n GLN 404 Ca 0.21 -1.38 -0.00 0.00 -1.94 0.00 0.00 57.00 53.89 1gqj n GLN 404 Cb 0.30 -1.47 0.06 0.00 0.11 0.00 0.00 30.24 29.24 1gqj n GLN 404 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1gqj h GLY 405 N 4.79 0.29 1.26 1.08 0.00 -1.89 -0.81 103.07 107.79 1gqj h GLY 405 Ca 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.65 1gqj h GLY 405 CO 0.00 -0.26 0.24 -2.55 0.00 0.00 0.00 176.54 173.97 1gqj h PRO 406 N -0.05 0.94 -0.35 4.80 0.11 -1.91 0.35 132.00 135.89 1gqj h PRO 406 Ca 0.33 -0.16 0.03 0.00 0.11 0.00 0.00 66.00 66.32 1gqj h PRO 406 Cb 0.58 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 1gqj h PRO 406 CO -0.81 0.78 0.14 1.25 -0.21 0.00 0.00 178.00 179.15 1gqj h LEU 407 N 0.92 0.19 -0.14 2.35 6.46 -1.46 0.43 115.31 124.07 1gqj h LEU 407 Ca 0.22 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1gqj h LEU 407 Cb 0.20 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1gqj h LEU 407 CO -0.02 0.14 0.01 -0.26 -0.62 0.00 0.00 178.44 177.69 1gqj h PHE 408 N 0.31 0.25 -0.45 1.25 0.04 -0.76 -2.04 116.94 115.54 1gqj h PHE 408 Ca 0.15 -0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.95 1gqj h PHE 408 Cb 0.10 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 38.13 1gqj h PHE 408 CO -0.12 0.45 0.11 1.49 -0.60 0.00 0.00 178.31 179.64 1gqj h GLU 409 N -0.02 0.25 -0.45 1.51 4.81 -0.19 -0.05 114.58 120.45 1gqj h GLU 409 Ca 0.04 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1gqj h GLU 409 Cb 0.35 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 1gqj h GLU 409 CO 0.01 0.16 0.08 1.49 -0.73 0.00 0.00 179.01 180.02 1gqj h GLU 410 N 0.26 0.21 0.45 1.92 4.81 0.02 -0.93 114.58 121.32 1gqj h GLU 410 Ca 0.22 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1gqj h GLU 410 Cb 0.26 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1gqj h GLU 410 CO -0.27 0.14 -0.25 0.77 -0.73 0.00 0.00 179.01 178.67 1gqj h SER 411 N 0.21 -0.60 -0.15 1.04 0.02 -0.99 -2.70 113.55 110.38 1gqj h SER 411 Ca 0.22 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1gqj h SER 411 Cb 0.29 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1gqj h SER 411 CO -0.30 -0.40 -0.00 -0.07 -1.14 0.00 0.00 176.83 174.92 1gqj h LEU 412 N -0.65 0.36 -0.86 5.07 3.38 -0.65 -1.62 115.31 120.34 1gqj h LEU 412 Ca -0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1gqj h LEU 412 Cb 0.52 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1gqj h LEU 412 CO 0.08 0.43 0.00 0.29 0.09 0.00 0.00 178.44 179.32 1gqj n LYS 413 N -4.33 1.58 -2.20 1.13 5.02 -0.38 -0.93 118.16 118.05 1gqj n LYS 413 Ca 0.01 -0.86 -0.42 0.00 -2.02 0.00 0.00 58.31 55.02 1gqj n LYS 413 Cb 0.21 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 1gqj n LYS 413 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1gqj s THR 414 N -1.89 3.66 -0.10 -0.18 2.01 -0.61 -4.78 115.64 113.75 1gqj s THR 414 Ca 0.34 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 63.10 1gqj s THR 414 Cb 0.18 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 1gqj s THR 414 CO 0.29 -0.00 1.14 -0.70 -0.69 0.00 0.00 174.62 174.65 1gqj s GLU 415 N 2.44 4.34 -0.01 4.92 2.56 -1.26 -1.18 118.70 130.50 1gqj s GLU 415 Ca 0.65 1.57 0.22 0.00 0.00 0.00 0.00 54.97 57.40 1gqj s GLU 415 Cb -0.32 -3.59 -0.28 0.00 2.00 0.00 0.00 34.13 31.93 1gqj s GLU 415 CO 0.27 -0.47 0.67 0.25 -0.56 0.00 0.00 175.26 175.41 1gqj n THR 416 N 4.79 0.01 -1.55 -1.70 -2.24 -0.59 -4.97 114.28 108.03 1gqj n THR 416 Ca 0.11 -0.29 -0.18 0.00 -2.27 0.00 0.00 64.05 61.42 1gqj n THR 416 Cb 0.47 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 69.03 1gqj n THR 416 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1gqj n HIS 417 N -1.95 -0.16 -0.25 4.78 -0.00 -1.25 -4.55 115.22 111.85 1gqj n HIS 417 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.77 1gqj n HIS 417 Cb 0.47 -3.17 0.18 0.00 -0.00 0.00 0.00 29.99 27.46 1gqj n HIS 417 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1gqj h ALA 418 N 0.29 0.94 -1.68 -1.41 0.00 -1.86 -2.66 119.26 112.88 1gqj h ALA 418 Ca -0.37 0.16 -0.49 0.00 0.00 0.00 0.00 54.91 54.21 1gqj h ALA 418 Cb 1.19 0.21 -0.41 0.00 0.00 0.00 0.00 17.79 18.78 1gqj h ALA 418 CO 0.54 -0.32 -0.99 0.54 0.00 0.00 0.00 179.25 179.02 1gqj n ARG 419 N -5.14 1.97 0.00 0.00 1.74 -1.26 -5.04 116.66 108.93 1gqj n ARG 419 Ca 0.14 -3.87 0.00 0.00 -0.77 0.00 0.00 57.85 53.34 1gqj n ARG 419 Cb 0.44 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1gqj n ARG 419 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gqj n GLY 420 N -0.08 -2.07 3.76 -0.13 0.00 -1.01 -4.80 105.19 100.86 1gqj n GLY 420 Ca 0.24 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 1gqj n GLY 420 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gqj s GLU 421 N 0.00 3.32 0.00 1.61 2.02 -1.26 -2.63 118.70 121.76 1gqj s GLU 421 Ca 0.00 2.04 0.00 0.00 0.02 0.00 0.00 54.97 57.03 1gqj s GLU 421 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1gqj s GLU 421 CO 0.00 -0.98 0.00 0.41 0.02 0.00 0.00 175.26 174.71 1gqj n GLY 422 N 0.61 0.69 2.39 -1.39 0.00 -1.26 -4.97 105.19 101.27 1gqj n GLY 422 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1gqj n GLY 422 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gqj n SER 423 N 0.00 8.08 -4.77 1.61 7.64 -1.08 -4.82 113.62 120.29 1gqj n SER 423 Ca 0.00 -2.91 -0.31 0.00 1.01 0.00 0.00 58.87 56.67 1gqj n SER 423 Cb 0.00 -1.43 0.10 0.00 -1.01 0.00 0.00 64.21 61.87 1gqj n SER 423 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1gqj s THR 424 N 0.09 3.22 0.23 0.44 -4.23 -1.26 -1.54 115.64 112.58 1gqj s THR 424 Ca 0.61 0.40 -0.07 0.00 -1.18 0.00 0.00 61.69 61.44 1gqj s THR 424 Cb 0.20 -2.96 0.19 0.00 1.34 0.00 0.00 72.50 71.27 1gqj s THR 424 CO -0.09 -0.52 1.85 0.40 -0.54 0.00 0.00 174.62 175.72 1gqj h ILE 425 N -1.17 1.06 -0.58 2.99 1.08 -1.15 -0.65 117.51 119.09 1gqj h ILE 425 Ca -0.46 -0.31 0.02 0.00 -0.39 0.00 0.00 64.86 63.72 1gqj h ILE 425 Cb 1.25 0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 1gqj h ILE 425 CO 0.54 0.17 0.37 1.23 -0.69 0.00 0.00 178.15 179.76 1gqj h GLY 426 N 0.92 0.82 1.49 5.37 0.00 -1.30 0.37 103.07 110.73 1gqj h GLY 426 Ca 0.34 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 1gqj h GLY 426 CO -0.15 0.25 -0.13 3.43 0.00 0.00 0.00 176.54 179.94 1gqj h ASN 427 N 0.73 0.60 -0.04 0.19 2.35 -1.73 -0.38 115.58 117.30 1gqj h ASN 427 Ca 0.23 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1gqj h ASN 427 Cb -0.02 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1gqj h ASN 427 CO -0.08 0.76 0.02 0.40 -1.65 0.00 0.00 177.43 176.88 1gqj h ILE 428 N 0.56 1.10 -0.93 2.81 2.04 -0.68 -2.20 117.51 120.20 1gqj h ILE 428 Ca 0.10 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.71 1gqj h ILE 428 Cb 0.55 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 1gqj h ILE 428 CO 0.03 0.08 0.61 -0.07 0.00 0.00 0.00 178.15 178.80 1gqj h LEU 429 N -0.05 1.01 -1.98 1.44 3.38 -0.63 -2.27 115.31 116.21 1gqj h LEU 429 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1gqj h LEU 429 Cb 0.11 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1gqj h LEU 429 CO -0.00 0.70 -0.10 -0.08 0.09 0.00 0.00 178.44 179.04 1gqj h GLU 430 N 1.18 0.00 0.00 1.13 4.81 -0.96 -3.39 114.58 117.34 1gqj h GLU 430 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1gqj h GLU 430 Cb -0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1gqj h GLU 430 CO -0.12 0.10 0.00 0.41 -0.73 0.00 0.00 179.01 178.67 1gqj n GLY 431 N -0.71 0.85 0.19 1.92 0.00 -0.85 -4.96 105.19 101.63 1gqj n GLY 431 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1gqj n GLY 431 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqj h LYS 432 N 3.68 0.00 0.00 1.61 1.57 -1.62 -3.38 116.57 118.42 1gqj h LYS 432 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1gqj h LYS 432 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1gqj h LYS 432 CO 0.00 0.33 -0.22 0.28 -0.57 0.00 0.00 179.45 179.26 1gqj h VAL 433 N 0.00 0.00 -3.08 0.50 2.07 -1.83 -3.46 116.25 110.45 1gqj h VAL 433 Ca -0.00 -0.65 -0.67 0.00 0.82 0.00 0.00 66.70 66.20 1gqj h VAL 433 Cb 0.93 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.57 1gqj h VAL 433 CO 0.04 0.00 -0.56 -0.36 0.02 0.00 0.00 177.57 176.71 1gqj s PHE 434 N -1.66 3.32 -0.09 1.57 0.08 -1.26 -5.01 117.98 114.93 1gqj s PHE 434 Ca -0.06 0.29 -0.30 0.00 0.12 0.00 0.00 56.93 56.98 1gqj s PHE 434 Cb 0.01 -1.88 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 1gqj s PHE 434 CO 0.10 0.51 1.08 0.15 -0.10 0.00 0.00 175.22 176.96 1gqj s LYS 435 N -0.75 4.39 0.05 0.44 1.02 -1.26 -4.65 119.74 118.99 1gqj s LYS 435 Ca 0.12 1.49 -0.01 0.00 0.02 0.00 0.00 55.97 57.59 1gqj s LYS 435 Cb -0.12 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 1gqj s LYS 435 CO 0.03 -0.37 -0.02 -0.08 -0.92 0.00 0.00 175.35 173.99 1gqj s THR 436 N 2.11 0.21 -0.02 2.17 -1.32 -1.26 -4.92 115.64 112.60 1gqj s THR 436 Ca 0.51 -1.70 -0.03 0.00 -1.21 0.00 0.00 61.69 59.26 1gqj s THR 436 Cb -0.21 -1.40 -0.28 0.00 -1.51 0.00 0.00 72.50 69.11 1gqj s THR 436 CO 0.19 -0.94 0.75 0.03 -2.21 0.00 0.00 174.62 172.45 1gqj h ARG 437 N 3.26 0.25 -4.08 7.08 2.47 -1.94 -3.47 114.38 117.95 1gqj h ARG 437 Ca -0.34 -0.43 -0.33 0.00 -1.26 0.00 0.00 59.98 57.62 1gqj h ARG 437 Cb 1.15 0.16 -0.30 0.00 -1.65 0.00 0.00 29.97 29.32 1gqj h ARG 437 CO 0.63 1.10 -0.75 -1.01 0.56 0.00 0.00 179.97 180.50 1gqj s HIS 438 N -2.60 0.42 0.12 3.04 3.76 -1.26 -5.12 115.29 113.65 1gqj s HIS 438 Ca -0.11 -0.07 0.04 0.00 -0.15 0.00 0.00 55.06 54.77 1gqj s HIS 438 Cb 0.07 -0.34 -0.04 0.00 1.11 0.00 0.00 32.58 33.37 1gqj s HIS 438 CO 0.84 -0.06 -0.10 0.95 -0.85 0.00 0.00 174.74 175.52 1gqj s THR 439 N 0.28 1.08 0.00 1.30 -4.23 -1.26 -4.12 115.64 108.70 1gqj s THR 439 Ca -0.03 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1gqj s THR 439 Cb -0.06 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.15 1gqj s THR 439 CO -0.00 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 1gqj n GLY 440 N 0.16 0.48 3.11 3.99 0.00 -1.26 -0.60 105.19 111.07 1gqj n GLY 440 Ca -0.13 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1gqj n GLY 440 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1gqj s MET 441 N -2.00 0.39 0.04 1.61 0.23 -0.61 -2.06 119.30 116.89 1gqj s MET 441 Ca 0.00 -0.08 0.09 0.00 -1.03 0.00 0.00 55.69 54.67 1gqj s MET 441 Cb 0.00 0.17 -0.03 0.00 -1.53 0.00 0.00 34.83 33.44 1gqj s MET 441 CO 0.00 -0.08 -0.26 0.00 -2.03 0.00 0.00 175.02 172.65 1gqj s ALA 442 N -0.71 2.27 -0.11 3.16 0.00 0.21 -1.45 121.76 125.13 1gqj s ALA 442 Ca -0.08 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1gqj s ALA 442 Cb -0.05 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.59 1gqj s ALA 442 CO 0.01 0.54 -0.10 0.20 0.00 0.00 0.00 175.76 176.41 1gqj s GLY 443 N -1.17 0.88 -0.72 0.00 0.00 -0.76 -1.01 107.32 104.54 1gqj s GLY 443 Ca 0.12 -0.59 -0.24 0.00 0.00 0.00 0.00 44.72 44.02 1gqj s GLY 443 CO 0.02 0.59 1.08 0.14 0.00 0.00 0.00 173.10 174.93 1gqj s VAL 444 N 1.42 4.16 -0.13 1.40 1.01 -0.13 -0.06 120.40 128.07 1gqj s VAL 444 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1gqj s VAL 444 Cb -0.13 -4.77 -0.25 0.00 0.00 0.00 0.00 36.38 31.23 1gqj s VAL 444 CO -0.06 -1.60 0.33 2.30 0.00 0.00 0.00 175.10 176.08 1gqj n ILE 445 N 6.07 1.71 -4.16 2.22 -5.35 -0.75 -0.81 119.36 118.29 1gqj n ILE 445 Ca 0.02 -0.67 -0.32 0.00 -0.27 0.00 0.00 62.75 61.51 1gqj n ILE 445 Cb 0.47 -1.56 -0.06 0.00 -1.74 0.00 0.00 39.64 36.75 1gqj n ILE 445 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1gqj n ASN 446 N -3.37 -0.34 -4.37 7.28 5.03 -1.24 -3.74 115.26 114.51 1gqj n ASN 446 Ca -0.31 -1.20 -0.29 0.00 0.87 0.00 0.00 54.58 53.65 1gqj n ASN 446 Cb 1.04 -2.09 0.17 0.00 -1.02 0.00 0.00 39.78 37.89 1gqj n ASN 446 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1gqj s PRO 447 N -7.10 0.53 0.00 3.52 0.04 -1.26 -4.38 135.00 126.35 1gqj s PRO 447 Ca 0.09 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1gqj s PRO 447 Cb -0.04 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1gqj s PRO 447 CO 0.96 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 175.86 1gqj n GLY 448 N -2.53 3.33 0.00 0.56 0.00 -0.34 -4.66 105.19 101.54 1gqj n GLY 448 Ca 0.11 -1.19 0.11 0.00 0.00 0.00 0.00 46.02 45.04 1gqj n GLY 448 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gqj n THR 449 N 0.00 0.29 -1.58 2.61 -2.24 -0.06 -4.39 114.28 108.91 1gqj n THR 449 Ca 0.00 0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 1gqj n THR 449 Cb 0.00 -0.72 0.01 0.00 -2.10 0.00 0.00 70.33 67.52 1gqj n THR 449 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gqj n ASP 450 N -1.25 0.91 -0.34 3.42 9.92 -0.80 -4.84 116.55 123.58 1gqj n ASP 450 Ca 0.11 1.04 0.17 0.00 -0.53 0.00 0.00 54.79 55.58 1gqj n ASP 450 Cb 0.16 -1.30 0.38 0.00 -0.64 0.00 0.00 41.12 39.71 1gqj n ASP 450 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1gqj h ARG 451 N 1.48 0.52 -0.61 -1.24 9.65 -1.88 -0.39 114.38 121.90 1gqj h ARG 451 Ca -0.43 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1gqj h ARG 451 Cb 1.35 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 1gqj h ARG 451 CO 0.57 0.34 0.00 0.27 2.80 0.00 0.00 179.97 183.95 1gqj n ASN 452 N -4.93 3.43 0.00 -3.80 6.94 -1.24 -3.45 115.26 112.22 1gqj n ASN 452 Ca 0.26 -2.32 0.00 0.00 -0.02 0.00 0.00 54.58 52.51 1gqj n ASN 452 Cb 0.75 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 1gqj n ASN 452 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 1gqj n TRP 453 N 0.68 0.00 0.02 -2.53 7.02 -0.16 -4.42 117.44 118.05 1gqj n TRP 453 Ca 0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.66 1gqj n TRP 453 Cb 0.66 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.55 1gqj n TRP 453 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1gqj n THR 454 N 0.00 0.00 0.00 -0.99 -2.24 -1.26 -1.20 114.28 108.59 1gqj n THR 454 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1gqj n THR 454 Cb 0.00 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1gqj n THR 454 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqj n GLY 455 N 0.13 2.36 3.69 3.38 0.00 -1.26 -4.56 105.19 108.93 1gqj n GLY 455 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1gqj n GLY 455 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gqj s HIS 456 N 0.00 3.52 0.31 1.61 5.65 -1.26 -4.94 115.29 120.18 1gqj s HIS 456 Ca 0.00 1.51 0.08 0.00 0.25 0.00 0.00 55.06 56.89 1gqj s HIS 456 Cb 0.00 -3.10 0.85 0.00 -1.18 0.00 0.00 32.58 29.14 1gqj s HIS 456 CO 0.00 -0.16 1.69 -1.35 -0.65 0.00 0.00 174.74 174.27 1gqj h PRO 457 N 7.07 0.41 0.00 2.88 0.11 -1.91 -1.41 132.00 139.15 1gqj h PRO 457 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1gqj h PRO 457 Cb 1.16 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1gqj h PRO 457 CO 0.82 0.27 0.00 1.19 -0.21 0.00 0.00 178.00 180.08 1gqj n PHE 458 N -5.02 0.58 0.24 0.65 3.01 -1.26 -2.09 117.46 113.58 1gqj n PHE 458 Ca 0.25 0.21 0.09 0.00 1.01 0.00 0.00 57.45 59.01 1gqj n PHE 458 Cb 0.75 -0.84 0.61 0.00 -0.01 0.00 0.00 39.48 39.99 1gqj n PHE 458 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1gqj h VAL 459 N 0.00 0.80 -0.76 -4.37 2.07 -1.56 -1.71 116.25 110.72 1gqj h VAL 459 Ca 0.00 -0.69 0.10 0.00 0.82 0.00 0.00 66.70 66.93 1gqj h VAL 459 Cb 0.43 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1gqj h VAL 459 CO 0.00 0.17 0.50 1.56 0.02 0.00 0.00 177.57 179.82 1gqj h GLN 460 N 0.00 0.64 -0.09 1.57 4.20 -1.56 -1.96 115.11 117.90 1gqj h GLN 460 Ca -0.00 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1gqj h GLN 460 Cb 0.40 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1gqj h GLN 460 CO 0.02 0.42 -0.36 0.66 -0.67 0.00 0.00 178.83 178.91 1gqj h SER 461 N 0.66 0.19 -0.02 1.46 4.64 -1.48 -0.63 113.55 118.37 1gqj h SER 461 Ca 0.35 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 1gqj h SER 461 Cb 0.50 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1gqj h SER 461 CO -0.13 0.54 -0.01 0.28 -0.87 0.00 0.00 176.83 176.64 1gqj h SER 462 N 0.16 0.04 -0.79 4.97 0.02 -1.38 0.94 113.55 117.52 1gqj h SER 462 Ca 0.02 -0.47 0.13 0.00 -0.84 0.00 0.00 61.79 60.63 1gqj h SER 462 Cb 0.71 -0.01 -0.14 0.00 0.14 0.00 0.00 62.40 63.10 1gqj h SER 462 CO 0.05 0.51 -0.34 -0.25 -1.14 0.00 0.00 176.83 175.66 1gqj h TRP 463 N -0.43 -0.94 0.46 3.45 2.91 -1.26 0.21 115.95 120.35 1gqj h TRP 463 Ca 0.00 0.09 -0.02 0.00 1.13 0.00 0.00 58.89 60.09 1gqj h TRP 463 Cb 0.49 0.53 0.00 0.00 -0.51 0.00 0.00 29.16 29.67 1gqj h TRP 463 CO 0.09 -0.39 -0.24 -0.92 -1.03 0.00 0.00 178.44 175.95 1gqj h TYR 464 N -0.08 -0.62 -0.59 2.65 3.20 -1.03 -1.22 116.97 119.28 1gqj h TYR 464 Ca 0.30 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.24 1gqj h TYR 464 Cb 0.58 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.99 1gqj h TYR 464 CO -0.74 -0.38 0.23 0.00 -1.64 0.00 0.00 178.16 175.63 1gqj h ALA 465 N -0.11 0.76 -0.35 1.82 0.00 -0.43 -0.28 119.26 120.66 1gqj h ALA 465 Ca -0.06 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1gqj h ALA 465 Cb 0.50 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1gqj h ALA 465 CO 0.09 -0.18 0.09 0.35 0.00 0.00 0.00 179.25 179.59 1gqj h PHE 466 N 0.42 0.15 -0.61 0.00 3.57 -0.47 -1.33 116.94 118.66 1gqj h PHE 466 Ca 0.29 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 1gqj h PHE 466 Cb 0.34 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1gqj h PHE 466 CO -0.16 0.04 0.28 0.78 -2.23 0.00 0.00 178.31 177.02 1gqj h GLY 467 N 0.21 0.96 1.07 2.40 0.00 -0.26 -0.80 103.07 106.66 1gqj h GLY 467 Ca 0.17 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1gqj h GLY 467 CO -0.21 0.47 0.22 3.21 0.00 0.00 0.00 176.54 180.24 1gqj h ARG 468 N 0.85 1.16 0.00 4.80 2.47 -0.85 -2.76 114.38 120.05 1gqj h ARG 468 Ca 0.21 -0.25 -0.13 0.00 -1.26 0.00 0.00 59.98 58.54 1gqj h ARG 468 Cb 0.15 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 1gqj h ARG 468 CO -0.02 0.99 -0.63 0.52 0.56 0.00 0.00 179.97 181.38 1gqj h MET 469 N 1.11 0.00 -0.20 0.04 2.86 -0.98 -0.19 114.93 117.56 1gqj h MET 469 Ca 0.24 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.84 1gqj h MET 469 Cb 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1gqj h MET 469 CO -0.01 0.63 -0.04 0.00 1.06 0.00 0.00 176.91 178.56 1gqj h ALA 470 N 1.37 1.57 -0.03 6.32 0.00 -1.02 -1.93 119.26 125.55 1gqj h ALA 470 Ca -0.01 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1gqj h ALA 470 Cb 1.26 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1gqj h ALA 470 CO 0.08 0.31 -0.67 2.35 0.00 0.00 0.00 179.25 181.32 1gqj h TRP 471 N 0.29 0.74 -2.42 0.00 2.91 -1.15 -3.34 115.95 112.99 1gqj h TRP 471 Ca 0.07 -0.38 -0.32 0.00 1.13 0.00 0.00 58.89 59.38 1gqj h TRP 471 Cb 0.26 -0.09 -0.35 0.00 -0.51 0.00 0.00 29.16 28.47 1gqj h TRP 471 CO 0.01 1.19 -0.63 0.34 -1.03 0.00 0.00 178.44 178.32 1gqj s ASP 472 N -6.86 1.52 0.15 2.65 -1.08 -0.13 -0.54 116.67 112.38 1gqj s ASP 472 Ca -0.12 -0.39 0.17 0.00 -0.52 0.00 0.00 52.55 51.69 1gqj s ASP 472 Cb 0.05 0.40 0.75 0.00 -1.46 0.00 0.00 42.92 42.67 1gqj s ASP 472 CO 0.85 -0.35 1.52 0.00 0.52 0.00 0.00 175.17 177.71 1gqj n HIS 473 N 5.32 0.42 1.29 -5.34 1.44 -0.75 -1.30 115.22 116.30 1gqj n HIS 473 Ca -0.05 0.18 0.13 0.00 -2.01 0.00 0.00 57.72 55.98 1gqj n HIS 473 Cb 0.48 -0.79 0.39 0.00 0.12 0.00 0.00 29.99 30.19 1gqj n HIS 473 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1gqj n GLN 474 N -1.90 1.09 -2.02 -1.40 6.02 -1.26 -4.77 117.38 113.14 1gqj n GLN 474 Ca 0.02 -0.66 -0.41 0.00 -0.01 0.00 0.00 57.00 55.93 1gqj n GLN 474 Cb 0.15 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 1gqj n GLN 474 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1gqj s ILE 475 N -2.37 2.68 0.53 5.09 1.01 -0.42 -4.98 121.20 122.74 1gqj s ILE 475 Ca 0.27 0.57 -0.08 0.00 0.00 0.00 0.00 60.65 61.41 1gqj s ILE 475 Cb 0.20 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1gqj s ILE 475 CO 0.47 0.09 0.88 -0.94 0.00 0.00 0.00 174.94 175.44 1gqj s SER 476 N 0.37 6.28 0.36 3.58 1.04 -1.26 -4.89 113.70 119.19 1gqj s SER 476 Ca 0.59 1.15 0.03 0.00 0.48 0.00 0.00 55.95 58.20 1gqj s SER 476 Cb -0.42 -2.34 0.66 0.00 0.10 0.00 0.00 66.02 64.02 1gqj s SER 476 CO 0.43 -0.67 2.01 0.00 0.98 0.00 0.00 173.24 175.99 1gqj h ALA 477 N 0.13 1.56 -0.36 5.32 0.00 -1.94 -1.97 119.26 121.99 1gqj h ALA 477 Ca -0.46 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1gqj h ALA 477 Cb 1.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1gqj h ALA 477 CO 0.62 0.40 0.12 0.00 0.00 0.00 0.00 179.25 180.39 1gqj h ALA 478 N 1.61 0.48 -0.35 0.00 0.00 -1.95 -1.51 119.26 117.54 1gqj h ALA 478 Ca 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1gqj h ALA 478 Cb -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1gqj h ALA 478 CO -0.04 0.11 0.20 1.15 0.00 0.00 0.00 179.25 180.66 1gqj h THR 479 N 0.44 1.14 -0.60 0.00 2.02 -1.85 -0.98 112.91 113.07 1gqj h THR 479 Ca 0.12 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1gqj h THR 479 Cb 0.24 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1gqj h THR 479 CO -0.00 0.14 0.22 0.00 0.37 0.00 0.00 175.52 176.25 1gqj h ALA 480 N 1.06 1.26 -0.31 6.16 0.00 -1.33 -1.89 119.26 124.21 1gqj h ALA 480 Ca 0.12 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1gqj h ALA 480 Cb 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1gqj h ALA 480 CO -0.02 0.54 -0.50 0.00 0.00 0.00 0.00 179.25 179.26 1gqj h ALA 481 N 1.37 0.50 -0.18 0.00 0.00 -1.07 -0.53 119.26 119.34 1gqj h ALA 481 Ca 0.20 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1gqj h ALA 481 Cb 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1gqj h ALA 481 CO -0.02 0.68 -0.02 0.22 0.00 0.00 0.00 179.25 180.12 1gqj h ASP 482 N 0.69 -0.11 -0.05 0.00 3.58 -0.95 -0.69 116.42 118.89 1gqj h ASP 482 Ca 0.03 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.54 1gqj h ASP 482 Cb 1.11 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 1gqj h ASP 482 CO 0.11 -0.03 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.09 1gqj h GLU 483 N 0.03 -0.01 -0.98 0.28 5.08 -1.26 -2.38 114.58 115.34 1gqj h GLU 483 Ca 0.09 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1gqj h GLU 483 Cb 0.12 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1gqj h GLU 483 CO -0.17 -0.01 0.64 2.35 -1.00 0.00 0.00 179.01 180.83 1gqj h TRP 484 N -0.01 1.24 -0.46 4.33 7.01 -0.95 -0.95 115.95 126.16 1gqj h TRP 484 Ca 0.03 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.93 1gqj h TRP 484 Cb 0.05 -0.42 -0.01 0.00 -2.10 0.00 0.00 29.16 26.68 1gqj h TRP 484 CO -0.12 0.78 -0.21 -0.07 -2.79 0.00 0.00 178.44 176.03 1gqj h LEU 485 N 1.33 0.98 -0.60 0.65 3.38 -1.02 0.12 115.31 120.16 1gqj h LEU 485 Ca 0.36 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1gqj h LEU 485 Cb -0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.31 1gqj h LEU 485 CO -0.08 1.16 0.27 0.03 0.09 0.00 0.00 178.44 179.91 1gqj h ARG 486 N 0.79 0.87 -0.09 1.13 3.08 -1.23 0.12 114.38 119.06 1gqj h ARG 486 Ca 0.10 -0.14 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 1gqj h ARG 486 Cb 0.79 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1gqj h ARG 486 CO 0.07 0.73 -0.52 0.52 -1.07 0.00 0.00 179.97 179.69 1gqj h MET 487 N 0.82 0.26 0.05 0.04 2.86 -1.00 -3.35 114.93 114.61 1gqj h MET 487 Ca 0.20 -0.15 -0.36 0.00 -2.06 0.00 0.00 59.70 57.33 1gqj h MET 487 Cb 0.16 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 1gqj h MET 487 CO -0.02 0.72 -2.12 2.41 1.06 0.00 0.00 176.91 178.96 1gqj n THR 488 N -3.94 1.63 0.08 2.22 -1.04 0.02 -4.22 114.28 109.02 1gqj n THR 488 Ca -0.02 -0.69 0.00 0.00 -2.04 0.00 0.00 64.05 61.30 1gqj n THR 488 Cb 0.56 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 1gqj n THR 488 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1gqj n PHE 489 N -3.25 -0.82 -3.55 -1.42 3.72 0.31 -5.02 117.46 107.43 1gqj n PHE 489 Ca -0.33 0.14 -0.10 0.00 -0.05 0.00 0.00 57.45 57.11 1gqj n PHE 489 Cb 1.05 0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 39.73 1gqj n PHE 489 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1gqj s SER 490 N -5.66 -0.39 0.00 4.37 0.15 -0.51 -4.89 113.70 106.77 1gqj s SER 490 Ca 0.00 0.32 0.21 0.00 0.70 0.00 0.00 55.95 57.18 1gqj s SER 490 Cb 0.00 0.34 0.52 0.00 -1.71 0.00 0.00 66.02 65.17 1gqj s SER 490 CO 0.00 -0.43 1.44 0.59 1.20 0.00 0.00 173.24 176.04 1gqj n ASN 491 N 0.49 3.64 -4.68 5.45 3.02 -1.26 -3.50 115.26 118.41 1gqj n ASN 491 Ca -0.10 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.04 1gqj n ASN 491 Cb 0.59 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.36 1gqj n ASN 491 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1gqj s GLN 492 N -1.15 4.28 0.37 3.52 -1.52 -1.26 -4.90 119.66 118.99 1gqj s GLN 492 Ca 0.42 1.90 0.07 0.00 -1.95 0.00 0.00 55.36 55.80 1gqj s GLN 492 Cb 0.23 -3.62 0.77 0.00 -0.22 0.00 0.00 33.01 30.17 1gqj s GLN 492 CO 0.30 -0.58 1.95 -1.35 -0.25 0.00 0.00 175.29 175.36 1gqj h PRO 493 N 7.92 0.70 0.00 2.91 0.11 -2.00 -0.61 132.00 141.03 1gqj h PRO 493 Ca -0.36 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 1gqj h PRO 493 Cb 1.17 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1gqj h PRO 493 CO 0.91 0.47 -0.07 0.00 -0.21 0.00 0.00 178.00 179.09 1gqj h ALA 494 N 1.61 1.05 0.14 -0.75 0.00 -2.01 -2.93 119.26 116.37 1gqj h ALA 494 Ca 0.32 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.83 1gqj h ALA 494 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1gqj h ALA 494 CO -0.11 0.09 -1.79 0.35 0.00 0.00 0.00 179.25 177.79 1gqj h PHE 495 N 0.00 0.52 -0.01 0.00 3.57 -1.56 -3.40 116.94 116.07 1gqj h PHE 495 Ca -0.00 -0.38 -0.00 0.00 3.53 0.00 0.00 57.97 61.12 1gqj h PHE 495 Cb 0.48 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1gqj h PHE 495 CO 0.00 1.70 0.00 0.82 -2.23 0.00 0.00 178.31 178.61 1gqj h ILE 496 N -0.04 1.13 0.56 1.41 1.08 -1.05 -2.57 117.51 118.03 1gqj h ILE 496 Ca -0.38 -0.39 -0.02 0.00 -0.39 0.00 0.00 64.86 63.67 1gqj h ILE 496 Cb 1.97 1.39 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 1gqj h ILE 496 CO 0.09 0.10 -0.30 -0.08 -0.69 0.00 0.00 178.15 177.27 1gqj h GLU 497 N -0.15 -0.77 -0.41 2.37 4.57 -1.76 0.43 114.58 118.86 1gqj h GLU 497 Ca 0.00 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1gqj h GLU 497 Cb 0.17 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 1gqj h GLU 497 CO -0.00 -0.51 0.27 -1.00 -1.18 0.00 0.00 179.01 176.58 1gqj h PRO 498 N -0.80 0.55 -0.10 0.92 0.13 -1.77 -1.28 132.00 129.64 1gqj h PRO 498 Ca -0.07 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.92 1gqj h PRO 498 Cb 0.64 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1gqj h PRO 498 CO 0.10 0.37 -0.38 0.28 -0.23 0.00 0.00 178.00 178.15 1gqj h VAL 499 N 0.56 1.29 -0.37 1.56 2.07 -1.40 0.04 116.25 120.00 1gqj h VAL 499 Ca 0.15 -1.42 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 1gqj h VAL 499 Cb -0.05 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1gqj h VAL 499 CO -0.03 0.42 0.07 0.50 0.02 0.00 0.00 177.57 178.55 1gqj h LYS 500 N 0.19 0.60 -0.81 1.57 3.64 0.13 -0.96 116.57 120.93 1gqj h LYS 500 Ca 0.02 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1gqj h LYS 500 Cb 0.75 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 1gqj h LYS 500 CO 0.06 0.66 0.42 1.96 -2.27 0.00 0.00 179.45 180.27 1gqj h GLN 501 N 0.45 1.15 -0.47 1.90 1.08 -0.88 -0.10 115.11 118.24 1gqj h GLN 501 Ca 0.11 -0.15 0.08 0.00 -1.45 0.00 0.00 58.65 57.24 1gqj h GLN 501 Cb 0.34 -0.22 -0.07 0.00 -0.05 0.00 0.00 27.48 27.49 1gqj h GLN 501 CO 0.01 0.87 0.08 1.98 -0.95 0.00 0.00 178.83 180.81 1gqj h MET 502 N 1.13 0.20 -0.61 1.46 4.05 -0.89 -1.18 114.93 119.09 1gqj h MET 502 Ca 0.28 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.71 1gqj h MET 502 Cb 0.08 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.79 1gqj h MET 502 CO -0.04 0.13 0.38 0.52 0.23 0.00 0.00 176.91 178.13 1gqj h MET 503 N 0.21 0.73 0.00 0.39 2.86 -0.74 -2.04 114.93 116.34 1gqj h MET 503 Ca 0.23 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 1gqj h MET 503 Cb 0.31 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1gqj h MET 503 CO -0.32 0.48 -0.19 -0.07 1.06 0.00 0.00 176.91 177.88 1gqj h LEU 504 N 0.75 0.00 0.00 1.22 3.38 -0.34 -2.65 115.31 117.67 1gqj h LEU 504 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1gqj h LEU 504 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1gqj h LEU 504 CO -0.10 0.19 -1.03 0.55 0.09 0.00 0.00 178.44 178.14 1gqj n VAL 505 N -3.82 0.65 -0.28 1.22 3.14 -0.51 -4.45 118.33 114.28 1gqj n VAL 505 Ca -0.02 -0.56 0.06 0.00 -2.96 0.00 0.00 64.34 60.86 1gqj n VAL 505 Cb 0.29 -0.36 0.20 0.00 -1.06 0.00 0.00 33.84 32.91 1gqj n VAL 505 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1gqj h SER 506 N 0.00 0.48 -0.04 6.55 4.64 -0.99 -0.18 113.55 124.02 1gqj h SER 506 Ca -0.01 0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1gqj h SER 506 Cb 1.03 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1gqj h SER 506 CO 0.00 0.22 -0.04 -0.09 -0.87 0.00 0.00 176.83 176.05 1gqj h ARG 507 N 0.60 -0.04 -0.63 4.77 1.12 -1.73 -1.93 114.38 116.54 1gqj h ARG 507 Ca 0.43 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 59.27 1gqj h ARG 507 Cb 0.58 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.52 1gqj h ARG 507 CO -0.35 -0.03 0.25 1.49 -3.11 0.00 0.00 179.97 178.22 1gqj h GLU 508 N -0.05 0.92 -0.59 0.20 4.57 -1.60 -0.78 114.58 117.26 1gqj h GLU 508 Ca 0.03 -0.15 0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1gqj h GLU 508 Cb 0.09 -0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 28.46 1gqj h GLU 508 CO -0.07 0.76 0.28 0.00 -1.18 0.00 0.00 179.01 178.80 1gqj h ALA 509 N 1.37 0.77 0.00 2.92 0.00 -0.94 0.12 119.26 123.49 1gqj h ALA 509 Ca 0.21 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1gqj h ALA 509 Cb 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1gqj h ALA 509 CO -0.02 -0.08 -0.12 0.78 0.00 0.00 0.00 179.25 179.81 1gqj h GLY 510 N 0.52 0.00 0.62 0.00 0.00 -0.37 -1.49 103.07 102.36 1gqj h GLY 510 Ca 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 1gqj h GLY 510 CO -0.21 0.00 -0.12 -2.08 0.00 0.00 0.00 176.54 174.12 1gqj h VAL 511 N 0.00 1.40 -0.35 4.60 2.07 -0.49 -3.31 116.25 120.17 1gqj h VAL 511 Ca -0.00 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1gqj h VAL 511 Cb 0.24 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1gqj h VAL 511 CO 0.02 0.39 0.15 0.78 0.02 0.00 0.00 177.57 178.92 1gqj h ASN 512 N -0.24 0.47 0.29 0.57 -0.26 0.17 0.11 115.58 116.69 1gqj h ASN 512 Ca 0.01 -0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.59 1gqj h ASN 512 Cb 0.68 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1gqj h ASN 512 CO 0.03 0.50 -0.01 0.00 -1.06 0.00 0.00 177.43 176.89 1gqj n TYR 513 N -4.71 0.00 -0.07 1.19 0.18 -0.70 -3.45 117.16 109.61 1gqj n TYR 513 Ca -0.01 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.62 1gqj n TYR 513 Cb 0.13 -0.15 -0.05 0.00 -0.38 0.00 0.00 39.34 38.89 1gqj n TYR 513 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1gqj n ARG 514 N -1.12 0.29 -2.70 -3.48 1.74 -0.92 -3.83 116.66 106.65 1gqj n ARG 514 Ca 0.19 0.13 -0.04 0.00 -0.77 0.00 0.00 57.85 57.35 1gqj n ARG 514 Cb 0.18 -1.00 0.04 0.00 -1.02 0.00 0.00 32.46 30.66 1gqj n ARG 514 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1gqj n SER 515 N -3.59 -2.08 -4.30 0.55 3.41 0.33 -4.86 113.62 103.10 1gqj n SER 515 Ca -0.27 -1.86 -0.29 0.00 -0.26 0.00 0.00 58.87 56.19 1gqj n SER 515 Cb 0.69 1.10 0.16 0.00 -0.26 0.00 0.00 64.21 65.91 1gqj n SER 515 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1gqj s PRO 516 N 0.74 0.94 -1.74 4.33 0.04 -1.15 -4.15 135.00 134.02 1gqj s PRO 516 Ca 0.27 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.91 1gqj s PRO 516 Cb 0.13 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1gqj s PRO 516 CO -0.11 -2.20 0.00 1.28 0.04 0.00 0.00 177.00 176.02 1gqj n LEU 517 N -3.61 -1.06 0.00 -3.56 4.77 -1.26 -1.03 117.00 111.24 1gqj n LEU 517 Ca 0.14 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1gqj n LEU 517 Cb 0.60 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.08 1gqj n LEU 517 CO 0.47 -0.99 0.00 0.61 -1.33 0.00 0.00 177.39 176.16 1gqj n GLY 518 N -0.45 0.41 3.74 -0.72 0.00 -1.20 -1.22 105.19 105.75 1gqj n GLY 518 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1gqj n GLY 518 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gqj s LEU 519 N 0.00 3.15 0.05 0.99 1.43 -0.20 -3.35 118.68 120.74 1gqj s LEU 519 Ca 0.00 2.03 -0.27 0.00 -1.03 0.00 0.00 54.13 54.87 1gqj s LEU 519 Cb 0.00 -4.55 0.08 0.00 0.03 0.00 0.00 46.19 41.76 1gqj s LEU 519 CO 0.00 -2.16 0.74 0.28 0.23 0.00 0.00 176.35 175.44 1gqj s THR 520 N -2.54 0.00 -1.19 5.49 -1.32 -1.26 -4.57 115.64 110.24 1gqj s THR 520 Ca 0.66 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 61.10 1gqj s THR 520 Cb -0.21 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.78 1gqj s THR 520 CO 0.50 0.00 1.02 1.57 -2.21 0.00 0.00 174.62 175.50 1gqj n HIS 521 N -0.06 -2.35 -0.76 9.09 -0.00 -1.26 -4.68 115.22 115.19 1gqj n HIS 521 Ca -0.14 0.92 0.08 0.00 -0.00 0.00 0.00 57.72 58.58 1gqj n HIS 521 Cb 0.62 -4.87 0.35 0.00 -0.00 0.00 0.00 29.99 26.09 1gqj n HIS 521 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1gqj n LEU 522 N -4.30 4.86 -4.82 0.27 4.77 -1.26 -4.07 117.00 112.46 1gqj n LEU 522 Ca -0.15 -2.69 -0.33 0.00 -0.03 0.00 0.00 56.01 52.81 1gqj n LEU 522 Cb 0.62 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1gqj n LEU 522 CO 0.59 0.72 0.68 -0.31 -1.33 0.00 0.00 177.39 177.74 1gqj s TYR 523 N -2.29 3.24 0.12 -1.77 1.51 -1.26 -0.63 117.35 116.26 1gqj s TYR 523 Ca 0.49 1.56 -0.34 0.00 -1.01 0.00 0.00 57.07 57.78 1gqj s TYR 523 Cb 0.35 -2.90 -0.14 0.00 -0.11 0.00 0.00 41.96 39.16 1gqj s TYR 523 CO 0.18 -0.42 1.62 0.45 -1.11 0.00 0.00 175.55 176.27 1gqj n SER 524 N -1.03 3.08 -4.77 2.29 2.88 -0.11 -4.44 113.62 111.54 1gqj n SER 524 Ca 0.08 1.07 -0.36 0.00 -1.33 0.00 0.00 58.87 58.33 1gqj n SER 524 Cb 0.54 -1.41 -0.08 0.00 -0.75 0.00 0.00 64.21 62.51 1gqj n SER 524 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1gqj s GLN 525 N 1.40 3.40 -0.06 -1.46 -1.52 -1.26 -0.92 119.66 119.24 1gqj s GLN 525 Ca 0.81 -0.26 0.16 0.00 -1.95 0.00 0.00 55.36 54.12 1gqj s GLN 525 Cb -0.69 -3.06 0.52 0.00 -0.22 0.00 0.00 33.01 29.55 1gqj s GLN 525 CO 0.40 0.65 1.44 0.41 -0.25 0.00 0.00 175.29 177.95 1gqj n GLY 526 N 2.34 2.89 0.09 3.09 0.00 -1.26 -4.91 105.19 107.43 1gqj n GLY 526 Ca -0.19 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.08 1gqj n GLY 526 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1gqj h ASP 527 N 3.04 0.06 -0.33 1.61 2.03 -1.96 -3.48 116.42 117.39 1gqj h ASP 527 Ca 0.00 -0.06 -0.14 0.00 -0.73 0.00 0.00 57.03 56.10 1gqj h ASP 527 Cb 1.08 -0.02 -0.06 0.00 -0.83 0.00 0.00 39.33 39.51 1gqj h ASP 527 CO 0.09 0.92 -0.13 1.41 -1.03 0.00 0.00 179.24 180.51 1gqj n HIS 528 N -3.53 0.00 -0.06 4.15 8.25 -0.10 -4.95 115.22 118.99 1gqj n HIS 528 Ca -0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.37 1gqj n HIS 528 Cb 0.84 -1.59 -0.07 0.00 1.12 0.00 0.00 29.99 30.29 1gqj n HIS 528 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1gqj h TYR 529 N 0.00 -0.00 -1.30 4.41 3.20 -1.83 -3.43 116.97 118.02 1gqj h TYR 529 Ca -0.14 -0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.21 1gqj h TYR 529 Cb 0.57 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 1gqj h TYR 529 CO 0.27 0.55 -0.37 0.20 -1.64 0.00 0.00 178.16 177.17 1gqj s GLY 530 N -3.91 2.21 0.52 1.82 0.00 -1.26 -4.82 107.32 101.87 1gqj s GLY 530 Ca -0.11 -1.80 -0.19 0.00 0.00 0.00 0.00 44.72 42.62 1gqj s GLY 530 CO 0.38 -1.78 1.05 2.56 0.00 0.00 0.00 173.10 175.31 1gqj s PRO 531 N -4.15 3.62 -0.35 2.90 0.04 -1.26 -0.93 135.00 134.87 1gqj s PRO 531 Ca 0.45 1.35 0.04 0.00 0.04 0.00 0.00 61.00 62.88 1gqj s PRO 531 Cb -0.02 -2.07 0.22 0.00 0.04 0.00 0.00 34.50 32.68 1gqj s PRO 531 CO 0.26 -0.58 1.21 0.00 0.04 0.00 0.00 177.00 177.93 1gqj n ALA 532 N -1.28 -1.55 0.28 8.56 0.00 0.20 -4.24 120.51 122.47 1gqj n ALA 532 Ca 0.09 -0.74 0.05 0.00 0.00 0.00 0.00 53.44 52.84 1gqj n ALA 532 Cb 0.52 -1.51 0.21 0.00 0.00 0.00 0.00 19.45 18.67 1gqj n ALA 532 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1gqj n PRO 533 N -0.21 0.02 0.00 0.00 -0.04 -1.12 -1.75 135.00 131.90 1gqj n PRO 533 Ca -0.13 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 1gqj n PRO 533 Cb 0.72 -1.54 0.20 0.00 -0.04 0.00 0.00 33.50 32.84 1gqj n PRO 533 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1gqj n TRP 534 N -1.57 0.00 -1.62 0.54 2.14 -1.26 -4.29 117.44 111.38 1gqj n TRP 534 Ca 0.02 0.00 -0.54 0.00 2.07 0.00 0.00 57.50 59.05 1gqj n TRP 534 Cb 0.10 -0.05 -0.06 0.00 -0.81 0.00 0.00 31.31 30.49 1gqj n TRP 534 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 1gqj n THR 535 N -0.09 0.07 -3.77 -1.67 -1.04 -0.72 -4.81 114.28 102.25 1gqj n THR 535 Ca 0.12 -0.01 -0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1gqj n THR 535 Cb 0.43 -0.88 -0.01 0.00 -1.82 0.00 0.00 70.33 68.05 1gqj n THR 535 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1gqj n ASP 536 N 3.17 -0.48 -3.78 8.00 4.64 -1.26 -2.50 116.55 124.35 1gqj n ASP 536 Ca 0.20 -1.69 -0.33 0.00 -1.38 0.00 0.00 54.79 51.60 1gqj n ASP 536 Cb 0.17 0.90 0.03 0.00 -1.04 0.00 0.00 41.12 41.18 1gqj n ASP 536 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 1gqj n ASP 537 N -1.99 -4.40 -4.68 1.67 5.75 -1.26 -4.99 116.55 106.65 1gqj n ASP 537 Ca 0.00 -1.05 -0.26 0.00 -0.01 0.00 0.00 54.79 53.47 1gqj n ASP 537 Cb 0.21 -3.10 -0.07 0.00 -1.03 0.00 0.00 41.12 37.13 1gqj n ASP 537 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1gqj s LEU 538 N -6.68 3.37 0.31 -2.12 1.43 -1.26 -5.02 118.68 108.70 1gqj s LEU 538 Ca 0.41 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1gqj s LEU 538 Cb -0.16 -2.00 0.79 0.00 0.03 0.00 0.00 46.19 44.85 1gqj s LEU 538 CO 0.88 0.07 1.59 -0.65 0.23 0.00 0.00 176.35 178.48 1gqj h PRO 539 N 2.56 0.05 -5.45 1.29 0.11 -2.01 -3.34 132.00 125.21 1gqj h PRO 539 Ca -0.47 -0.00 -0.66 0.00 0.11 0.00 0.00 66.00 64.98 1gqj h PRO 539 Cb 1.21 -0.01 -0.27 0.00 0.11 0.00 0.00 31.00 32.04 1gqj h PRO 539 CO 0.59 0.03 -0.77 -0.98 -0.21 0.00 0.00 178.00 176.66 1gqj s ARG 540 N -5.95 3.26 0.35 1.05 1.70 -1.26 -5.02 118.95 113.08 1gqj s ARG 540 Ca -0.12 -0.69 0.09 0.00 -0.47 0.00 0.00 55.73 54.53 1gqj s ARG 540 Cb 0.29 -2.59 0.65 0.00 -0.57 0.00 0.00 34.95 32.73 1gqj s ARG 540 CO 0.78 0.27 1.82 0.00 -1.08 0.00 0.00 175.30 177.09 1gqj h ALA 541 N 6.53 1.34 0.00 7.88 0.00 -1.90 -2.42 119.26 130.69 1gqj h ALA 541 Ca -0.28 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1gqj h ALA 541 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1gqj h ALA 541 CO 0.55 0.46 0.00 -0.40 0.00 0.00 0.00 179.25 179.85 1gqj n ASP 542 N -4.16 0.16 -0.75 0.00 5.75 -1.26 -1.52 116.55 114.77 1gqj n ASP 542 Ca -0.01 -1.79 0.09 0.00 -0.01 0.00 0.00 54.79 53.07 1gqj n ASP 542 Cb 0.36 -0.08 0.09 0.00 -1.03 0.00 0.00 41.12 40.47 1gqj n ASP 542 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1gqj n TRP 543 N -0.40 0.08 -2.59 2.11 7.02 -0.91 -5.02 117.44 117.73 1gqj n TRP 543 Ca 0.00 -0.05 -0.23 0.00 -1.02 0.00 0.00 57.50 56.19 1gqj n TRP 543 Cb 0.04 -0.00 0.10 0.00 -2.42 0.00 0.00 31.31 29.03 1gqj n TRP 543 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1gqj s THR 544 N -1.45 2.15 -0.17 -0.99 -4.23 -0.58 -4.94 115.64 105.43 1gqj s THR 544 Ca 0.23 -0.60 -0.13 0.00 -1.18 0.00 0.00 61.69 60.02 1gqj s THR 544 Cb 0.15 -2.56 -0.22 0.00 1.34 0.00 0.00 72.50 71.22 1gqj s THR 544 CO 0.23 0.00 0.23 0.00 -0.54 0.00 0.00 174.62 174.54 1gqj n ALA 545 N -2.82 0.89 0.26 3.99 0.00 -1.04 -4.42 120.51 117.38 1gqj n ALA 545 Ca 0.15 -0.61 0.08 0.00 0.00 0.00 0.00 53.44 53.06 1gqj n ALA 545 Cb 0.61 -0.55 0.65 0.00 0.00 0.00 0.00 19.45 20.15 1gqj n ALA 545 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1gqj h VAL 546 N -0.42 0.96 -0.93 0.00 -1.51 -1.69 -1.21 116.25 111.46 1gqj h VAL 546 Ca -0.42 -0.09 0.14 0.00 -1.23 0.00 0.00 66.70 65.10 1gqj h VAL 546 Cb 1.71 1.05 -0.09 0.00 -2.13 0.00 0.00 31.29 31.83 1gqj h VAL 546 CO -0.07 0.03 0.54 0.22 -1.23 0.00 0.00 177.57 177.06 1gqj h TYR 547 N 0.00 0.97 0.14 5.19 5.03 -1.81 -1.12 116.97 125.36 1gqj h TYR 547 Ca -0.00 0.03 -0.29 0.00 2.58 0.00 0.00 58.73 61.05 1gqj h TYR 547 Cb 0.05 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.04 1gqj h TYR 547 CO 0.00 0.31 -1.45 1.88 -1.32 0.00 0.00 178.16 177.58 1gqj h TYR 548 N 0.80 0.53 0.00 -3.82 0.05 -1.46 -3.39 116.97 109.68 1gqj h TYR 548 Ca 0.49 -0.39 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1gqj h TYR 548 Cb 0.61 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.33 1gqj h TYR 548 CO -0.04 1.56 -1.55 -2.39 -1.05 0.00 0.00 178.16 174.69 1gqj n HIS 549 N -3.86 0.31 -4.21 4.88 1.44 -1.10 -4.22 115.22 108.46 1gqj n HIS 549 Ca -0.24 0.09 -0.36 0.00 -2.01 0.00 0.00 57.72 55.20 1gqj n HIS 549 Cb 0.94 -0.60 -0.02 0.00 0.12 0.00 0.00 29.99 30.43 1gqj n HIS 549 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1gqj n ARG 550 N -2.31 -3.29 -2.19 -1.40 1.74 -0.43 -0.94 116.66 107.85 1gqj n ARG 550 Ca -0.02 0.38 -0.41 0.00 -0.77 0.00 0.00 57.85 57.04 1gqj n ARG 550 Cb 0.54 -5.13 -0.03 0.00 -1.02 0.00 0.00 32.46 26.82 1gqj n ARG 550 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gqj s ALA 551 N -3.27 3.48 0.09 7.54 0.00 -1.26 -4.37 121.76 123.98 1gqj s ALA 551 Ca 0.75 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.91 1gqj s ALA 551 Cb -0.41 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.25 1gqj s ALA 551 CO 0.92 -0.55 0.08 -1.13 0.00 0.00 0.00 175.76 175.09 1gqj n SER 552 N 0.98 -0.22 0.21 0.00 3.41 0.60 -5.00 113.62 113.61 1gqj n SER 552 Ca 0.00 -1.59 0.05 0.00 -0.26 0.00 0.00 58.87 57.07 1gqj n SER 552 Cb 0.42 0.49 0.46 0.00 -0.26 0.00 0.00 64.21 65.32 1gqj n SER 552 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1gqj h LYS 553 N 0.00 0.00 0.00 4.33 3.64 -1.89 -3.25 116.57 119.40 1gqj h LYS 553 Ca -0.07 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.01 1gqj h LYS 553 Cb 0.33 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1gqj h LYS 553 CO 0.09 0.26 -1.84 0.25 -2.27 0.00 0.00 179.45 175.94 1gqj n THR 554 N -4.13 1.58 -3.36 1.00 -2.24 -1.26 -4.82 114.28 101.05 1gqj n THR 554 Ca -0.02 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1gqj n THR 554 Cb 0.32 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1gqj n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqj n GLY 555 N 1.61 1.28 3.34 3.38 0.00 -1.23 -2.19 105.19 111.39 1gqj n GLY 555 Ca -0.20 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1gqj n GLY 555 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1gqj s ILE 556 N -2.49 0.05 0.00 -0.61 2.07 -0.08 -0.29 121.20 119.85 1gqj s ILE 556 Ca 0.00 -0.41 0.00 0.00 -1.41 0.00 0.00 60.65 58.83 1gqj s ILE 556 Cb 0.00 -1.01 0.00 0.00 0.13 0.00 0.00 42.46 41.58 1gqj s ILE 556 CO 0.00 -0.23 0.00 0.61 -1.91 0.00 0.00 174.94 173.41 1gqj n GLY 557 N 0.27 2.36 3.18 1.50 0.00 -0.12 -0.62 105.19 111.76 1gqj n GLY 557 Ca -0.18 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.41 1gqj n GLY 557 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gqj s PHE 558 N -2.11 2.73 -0.48 1.61 2.19 -0.79 -4.36 117.98 116.78 1gqj s PHE 558 Ca 0.00 -1.36 -0.28 0.00 0.33 0.00 0.00 56.93 55.61 1gqj s PHE 558 Cb 0.00 -1.87 0.03 0.00 -1.31 0.00 0.00 43.02 39.87 1gqj s PHE 558 CO 0.00 -0.64 1.11 1.21 1.83 0.00 0.00 175.22 178.73 1gqj s ASN 559 N 0.98 6.60 -0.04 6.13 2.47 -1.26 -1.95 114.94 127.87 1gqj s ASN 559 Ca -0.03 0.39 0.06 0.00 0.42 0.00 0.00 52.86 53.71 1gqj s ASN 559 Cb -0.15 -2.54 0.10 0.00 -1.45 0.00 0.00 41.25 37.22 1gqj s ASN 559 CO -0.05 -1.25 1.06 0.54 -3.72 0.00 0.00 177.10 173.69 1gqj n ARG 560 N 7.80 2.51 -1.30 0.43 1.74 -0.11 -1.85 116.66 125.88 1gqj n ARG 560 Ca 0.11 -1.85 -0.18 0.00 -0.77 0.00 0.00 57.85 55.16 1gqj n ARG 560 Cb 0.49 -1.17 0.12 0.00 -1.02 0.00 0.00 32.46 30.88 1gqj n ARG 560 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1gqj n THR 561 N -0.72 0.00 0.03 0.55 -2.24 -1.22 -1.81 114.28 108.86 1gqj n THR 561 Ca 0.05 -0.68 0.21 0.00 -2.27 0.00 0.00 64.05 61.37 1gqj n THR 561 Cb 0.38 -1.60 0.73 0.00 -2.10 0.00 0.00 70.33 67.73 1gqj n THR 561 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1gqj h LYS 562 N 0.00 0.00 -0.01 -0.78 1.57 -1.95 -0.39 116.57 115.01 1gqj h LYS 562 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1gqj h LYS 562 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1gqj h LYS 562 CO 0.20 0.00 -0.09 0.25 -0.57 0.00 0.00 179.45 179.24 1gqj n THR 563 N -4.05 0.00 0.00 -0.16 -2.24 -1.26 -4.75 114.28 101.83 1gqj n THR 563 Ca 0.09 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1gqj n THR 563 Cb 0.64 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1gqj n THR 563 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqj n GLY 564 N 1.22 2.27 0.08 3.38 0.00 -0.28 -4.99 105.19 106.87 1gqj n GLY 564 Ca 0.17 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1gqj n GLY 564 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqj n SER 565 N 0.00 0.64 -3.19 1.61 3.41 -0.77 -4.89 113.62 110.42 1gqj n SER 565 Ca 0.00 0.54 -0.23 0.00 -0.26 0.00 0.00 58.87 58.92 1gqj n SER 565 Cb 0.00 -0.70 0.03 0.00 -0.26 0.00 0.00 64.21 63.28 1gqj n SER 565 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1gqj n ASN 566 N -2.09 -5.64 0.21 4.04 5.15 -0.49 -4.88 115.26 111.56 1gqj n ASN 566 Ca 0.06 -0.36 0.05 0.00 -0.60 0.00 0.00 54.58 53.73 1gqj n ASN 566 Cb 0.41 -4.55 0.46 0.00 -0.53 0.00 0.00 39.78 35.57 1gqj n ASN 566 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gqj h ALA 567 N 1.00 1.49 -0.47 5.20 0.00 -1.61 -2.68 119.26 122.20 1gqj h ALA 567 Ca -0.52 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.28 1gqj h ALA 567 Cb 1.35 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1gqj h ALA 567 CO 0.57 0.33 0.34 -0.07 0.00 0.00 0.00 179.25 180.42 1gqj h LEU 568 N 0.00 0.02 -0.01 0.00 3.38 -1.68 0.21 115.31 117.22 1gqj h LEU 568 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gqj h LEU 568 Cb 0.49 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1gqj h LEU 568 CO 0.03 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1gqj n ALA 569 N -2.62 1.56 1.13 1.53 0.00 -1.01 -1.74 120.51 119.35 1gqj n ALA 569 Ca 0.08 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1gqj n ALA 569 Cb 0.53 -1.20 0.54 0.00 0.00 0.00 0.00 19.45 19.32 1gqj n ALA 569 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1gqj n GLN 570 N -1.51 0.19 -3.77 0.00 6.02 0.06 -4.87 117.38 113.50 1gqj n GLN 570 Ca 0.03 -0.05 -0.22 0.00 -0.01 0.00 0.00 57.00 56.74 1gqj n GLN 570 Cb 0.14 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 1gqj n GLN 570 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1gqj s TYR 571 N -2.85 3.47 0.54 1.08 2.02 -0.71 -4.86 117.35 116.04 1gqj s TYR 571 Ca 0.18 0.12 -0.22 0.00 -0.37 0.00 0.00 57.07 56.77 1gqj s TYR 571 Cb 0.19 -1.69 -0.05 0.00 -0.40 0.00 0.00 41.96 40.01 1gqj s TYR 571 CO 0.55 0.34 1.38 -2.14 -1.57 0.00 0.00 175.55 174.11 1gqj s PRO 572 N -4.03 3.19 0.28 -1.71 0.02 -1.26 -4.62 135.00 126.87 1gqj s PRO 572 Ca 0.36 2.28 -0.03 0.00 0.02 0.00 0.00 61.00 63.64 1gqj s PRO 572 Cb -0.09 -2.30 0.60 0.00 0.02 0.00 0.00 34.50 32.73 1gqj s PRO 572 CO 0.31 -1.17 1.59 1.49 -0.33 0.00 0.00 177.00 178.89 1gqj h GLU 573 N 1.55 0.04 -0.27 5.54 4.22 -1.92 -1.01 114.58 122.73 1gqj h GLU 573 Ca -0.51 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 58.91 1gqj h GLU 573 Cb 1.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1gqj h GLU 573 CO 0.58 0.02 0.09 -1.35 -2.18 0.00 0.00 179.01 176.17 1gqj h PRO 574 N 0.04 0.38 -0.01 0.92 0.11 -1.92 0.37 132.00 131.89 1gqj h PRO 574 Ca 0.52 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.53 1gqj h PRO 574 Cb 0.99 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1gqj h PRO 574 CO -0.86 0.33 -0.21 0.82 -0.21 0.00 0.00 178.00 177.87 1gqj h ILE 575 N 0.38 1.53 -0.81 4.15 1.08 -1.52 -1.78 117.51 120.54 1gqj h ILE 575 Ca 0.09 -1.83 0.13 0.00 -0.39 0.00 0.00 64.86 62.86 1gqj h ILE 575 Cb 0.11 2.66 -0.09 0.00 -3.07 0.00 0.00 36.82 36.43 1gqj h ILE 575 CO -0.01 0.50 0.40 0.00 -0.69 0.00 0.00 178.15 178.36 1gqj h ALA 576 N 0.30 1.18 0.21 1.87 0.00 -1.01 -0.35 119.26 121.46 1gqj h ALA 576 Ca -0.02 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1gqj h ALA 576 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1gqj h ALA 576 CO 0.04 -0.08 -0.10 -0.22 0.00 0.00 0.00 179.25 178.89 1gqj h LYS 577 N 0.61 -0.27 -0.87 0.00 3.64 -0.96 -1.05 116.57 117.68 1gqj h LYS 577 Ca 0.43 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.82 1gqj h LYS 577 Cb 0.57 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 1gqj h LYS 577 CO -0.34 0.01 0.52 0.00 -2.27 0.00 0.00 179.45 177.37 1gqj h ALA 578 N 0.20 1.10 0.00 5.00 0.00 -1.02 -2.45 119.26 122.10 1gqj h ALA 578 Ca -0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1gqj h ALA 578 Cb 0.40 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1gqj h ALA 578 CO 0.05 0.57 -0.58 -1.49 0.00 0.00 0.00 179.25 177.79 1gqj h TRP 579 N 1.19 0.00 0.00 0.00 6.55 -1.10 -1.65 115.95 120.94 1gqj h TRP 579 Ca 0.31 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.15 1gqj h TRP 579 Cb -0.04 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.26 1gqj h TRP 579 CO -0.00 0.31 -0.46 0.41 -1.05 0.00 0.00 178.44 177.65 1gqj n GLY 580 N 1.21 -1.45 3.61 1.49 0.00 -0.40 -4.63 105.19 105.03 1gqj n GLY 580 Ca 0.00 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1gqj n GLY 580 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gqj s ASP 581 N -4.04 6.17 0.60 1.61 -1.08 -0.94 -4.97 116.67 114.02 1gqj s ASP 581 Ca 0.08 0.18 0.30 0.00 -0.52 0.00 0.00 52.55 52.59 1gqj s ASP 581 Cb 0.14 -2.17 1.69 0.00 -1.46 0.00 0.00 42.92 41.12 1gqj s ASP 581 CO 0.68 -0.10 2.07 -0.07 0.52 0.00 0.00 175.17 178.28 1gqj h LEU 582 N 8.32 0.00 -1.14 -1.34 3.38 -1.87 -0.71 115.31 121.94 1gqj h LEU 582 Ca -0.34 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 1gqj h LEU 582 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1gqj h LEU 582 CO 0.62 0.00 -0.38 -1.13 0.09 0.00 0.00 178.44 177.64 1gqj h ASN 583 N 0.00 0.00 0.00 -0.43 -1.24 -1.93 -3.37 115.58 108.61 1gqj h ASN 583 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 1gqj h ASN 583 Cb 0.57 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.62 1gqj h ASN 583 CO -0.00 0.38 -0.65 -1.54 -1.29 0.00 0.00 177.43 174.33 1gqj n SER 584 N -3.78 3.24 -4.73 1.15 3.41 -0.46 -5.03 113.62 107.42 1gqj n SER 584 Ca -0.01 -0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.05 1gqj n SER 584 Cb 0.46 0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 65.29 1gqj n SER 584 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1gqj n VAL 585 N -1.23 0.28 -1.99 -3.33 3.14 -0.40 -4.80 118.33 110.00 1gqj n VAL 585 Ca 0.00 -0.07 -0.41 0.00 -2.96 0.00 0.00 64.34 60.90 1gqj n VAL 585 Cb 0.00 -1.99 -0.02 0.00 -1.06 0.00 0.00 33.84 30.77 1gqj n VAL 585 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1gqj s PRO 586 N 0.72 4.25 0.49 1.45 0.02 -1.26 -4.88 135.00 135.78 1gqj s PRO 586 Ca 0.72 2.33 0.18 0.00 0.02 0.00 0.00 61.00 64.25 1gqj s PRO 586 Cb -0.50 -3.10 1.19 0.00 0.02 0.00 0.00 34.50 32.11 1gqj s PRO 586 CO 0.37 -0.44 2.06 0.93 -0.33 0.00 0.00 177.00 179.59 1gqj h GLU 587 N 4.95 0.00 0.00 5.54 5.08 -1.95 -1.71 114.58 126.48 1gqj h GLU 587 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1gqj h GLU 587 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1gqj h GLU 587 CO 0.77 0.12 0.00 -0.40 -1.00 0.00 0.00 179.01 178.50 1gqj n ASP 588 N -4.26 0.00 0.00 1.42 5.68 -1.26 -2.46 116.55 115.67 1gqj n ASP 588 Ca -0.03 -0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.08 1gqj n ASP 588 Cb 0.19 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1gqj n ASP 588 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1gqj n LEU 589 N -1.17 0.50 -0.18 -2.12 4.77 -0.76 -3.25 117.00 114.79 1gqj n LEU 589 Ca 0.10 -0.58 -0.01 0.00 -0.03 0.00 0.00 56.01 55.49 1gqj n LEU 589 Cb 0.11 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.28 1gqj n LEU 589 CO 0.12 0.13 0.93 -0.29 -1.33 0.00 0.00 177.39 176.94 1gqj h ILE 590 N 0.27 0.72 0.00 -0.08 2.10 -1.01 -1.80 117.51 117.70 1gqj h ILE 590 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1gqj h ILE 590 Cb 0.13 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 36.28 1gqj h ILE 590 CO 0.00 0.05 0.00 0.18 -1.08 0.00 0.00 178.15 177.30 1gqj n LEU 591 N -5.08 0.00 0.12 2.19 4.77 -0.36 -1.93 117.00 116.70 1gqj n LEU 591 Ca 0.07 0.07 -0.02 0.00 -0.03 0.00 0.00 56.01 56.10 1gqj n LEU 591 Cb 0.27 -0.07 0.10 0.00 -2.33 0.00 0.00 43.42 41.38 1gqj n LEU 591 CO 0.20 -0.01 0.41 -0.50 -1.33 0.00 0.00 177.39 176.16 1gqj h TRP 592 N 0.00 0.00 0.00 -1.77 4.06 -1.32 -2.09 115.95 114.82 1gqj h TRP 592 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1gqj h TRP 592 Cb 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1gqj h TRP 592 CO 0.00 0.70 -0.61 1.19 -3.56 0.00 0.00 178.44 176.17 1gqj n PHE 593 N -3.65 0.00 -4.19 0.49 3.72 -0.85 -4.48 117.46 108.51 1gqj n PHE 593 Ca -0.01 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 1gqj n PHE 593 Cb 0.70 -0.02 -0.16 0.00 -0.94 0.00 0.00 39.48 39.07 1gqj n PHE 593 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1gqj s HIS 594 N -1.65 0.66 -0.41 1.38 3.76 -0.81 -0.94 115.29 117.28 1gqj s HIS 594 Ca -0.00 -0.16 -0.18 0.00 -0.15 0.00 0.00 55.06 54.57 1gqj s HIS 594 Cb 0.01 -0.54 0.02 0.00 1.11 0.00 0.00 32.58 33.17 1gqj s HIS 594 CO 0.06 -0.12 0.51 -1.58 -0.85 0.00 0.00 174.74 172.76 1gqj s HIS 595 N 0.51 3.14 0.11 1.40 2.46 -1.26 -3.41 115.29 118.23 1gqj s HIS 595 Ca -0.06 -0.17 0.10 0.00 0.47 0.00 0.00 55.06 55.40 1gqj s HIS 595 Cb -0.10 -3.03 -0.04 0.00 -0.13 0.00 0.00 32.58 29.28 1gqj s HIS 595 CO -0.00 -0.71 -0.24 -0.51 -2.47 0.00 0.00 174.74 170.81 1gqj s LEU 596 N 2.38 2.40 0.56 8.88 1.43 0.21 -4.90 118.68 129.64 1gqj s LEU 596 Ca 0.16 -0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 52.42 1gqj s LEU 596 Cb -0.16 -1.33 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 1gqj s LEU 596 CO 0.15 0.20 1.13 -0.94 0.23 0.00 0.00 176.35 177.12 1gqj s SER 597 N -1.89 5.64 0.56 2.29 1.04 -1.26 -0.90 113.70 119.18 1gqj s SER 597 Ca 0.15 2.15 0.25 0.00 0.48 0.00 0.00 55.95 58.98 1gqj s SER 597 Cb -0.10 -2.58 1.55 0.00 0.10 0.00 0.00 66.02 64.99 1gqj s SER 597 CO 0.06 -1.27 2.13 -0.50 0.98 0.00 0.00 173.24 174.64 1gqj h TRP 598 N 1.04 0.00 -0.00 5.02 4.06 -1.78 -1.48 115.95 122.81 1gqj h TRP 598 Ca -0.50 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.45 1gqj h TRP 598 Cb 1.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.42 1gqj h TRP 598 CO 0.52 0.00 -0.03 -0.25 -3.56 0.00 0.00 178.44 175.12 1gqj n ASP 599 N -4.10 0.07 -4.64 -3.49 8.00 -1.26 -1.96 116.55 109.16 1gqj n ASP 599 Ca 0.01 -0.03 -0.48 0.00 0.71 0.00 0.00 54.79 55.01 1gqj n ASP 599 Cb 0.26 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 1gqj n ASP 599 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1gqj n HIS 600 N -1.31 1.93 -3.27 1.24 -0.00 -0.56 -4.66 115.22 108.59 1gqj n HIS 600 Ca 0.12 0.45 -0.38 0.00 -0.00 0.00 0.00 57.72 57.91 1gqj n HIS 600 Cb 0.27 -2.44 -0.06 0.00 -0.00 0.00 0.00 29.99 27.77 1gqj n HIS 600 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1gqj s ARG 601 N 0.33 4.33 0.64 1.57 0.52 -1.26 -0.64 118.95 124.44 1gqj s ARG 601 Ca 0.77 0.49 -0.03 0.00 -0.52 0.00 0.00 55.73 56.44 1gqj s ARG 601 Cb -0.76 -3.46 0.05 0.00 0.52 0.00 0.00 34.95 31.30 1gqj s ARG 601 CO 0.45 0.10 0.91 -1.64 0.02 0.00 0.00 175.30 175.14 1gqj s MET 602 N 0.81 2.30 0.40 3.54 -1.94 0.09 -4.95 119.30 119.55 1gqj s MET 602 Ca 0.27 -0.53 0.14 0.00 -1.71 0.00 0.00 55.69 53.86 1gqj s MET 602 Cb -0.15 -2.31 0.99 0.00 2.01 0.00 0.00 34.83 35.36 1gqj s MET 602 CO 0.11 -1.03 1.88 1.96 -0.01 0.00 0.00 175.02 177.93 1gqj h GLN 603 N -0.32 0.48 0.00 2.03 4.20 -1.98 -1.21 115.11 118.32 1gqj h GLN 603 Ca -0.43 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1gqj h GLN 603 Cb 1.30 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1gqj h GLN 603 CO 0.56 0.32 0.00 0.66 -0.67 0.00 0.00 178.83 179.70 1gqj h SER 604 N 0.50 0.00 0.00 1.46 4.64 -2.01 -3.46 113.55 114.68 1gqj h SER 604 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1gqj h SER 604 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1gqj h SER 604 CO -0.17 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.40 1gqj n GLY 605 N -0.15 2.30 3.83 -0.77 0.00 -0.46 -5.07 105.19 104.87 1gqj n GLY 605 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1gqj n GLY 605 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqj s ARG 606 N -0.80 3.76 0.92 1.61 0.52 -1.26 -4.72 118.95 118.97 1gqj s ARG 606 Ca 0.00 1.07 -0.12 0.00 -0.52 0.00 0.00 55.73 56.15 1gqj s ARG 606 Cb 0.00 -2.10 0.14 0.00 0.52 0.00 0.00 34.95 33.51 1gqj s ARG 606 CO 0.00 -0.44 1.13 0.54 0.02 0.00 0.00 175.30 176.56 1gqj s ASN 607 N -2.87 3.44 0.30 0.23 2.20 -1.26 -0.73 114.94 116.25 1gqj s ASN 607 Ca 0.61 1.00 -0.00 0.00 -0.94 0.00 0.00 52.86 53.52 1gqj s ASN 607 Cb -0.12 -1.59 0.48 0.00 -2.00 0.00 0.00 41.25 38.01 1gqj s ASN 607 CO 0.31 -2.60 1.91 0.25 -2.94 0.00 0.00 177.10 174.04 1gqj h LEU 608 N -1.53 0.80 -0.47 3.54 5.85 -0.21 0.14 115.31 123.42 1gqj h LEU 608 Ca -0.51 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.08 1gqj h LEU 608 Cb 1.33 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1gqj h LEU 608 CO 0.61 0.68 0.11 -0.25 -0.34 0.00 0.00 178.44 179.25 1gqj h TRP 609 N 0.89 0.80 -0.53 1.25 2.91 -1.81 -0.53 115.95 118.92 1gqj h TRP 609 Ca 0.22 -0.10 -0.02 0.00 1.13 0.00 0.00 58.89 60.12 1gqj h TRP 609 Cb 0.09 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.49 1gqj h TRP 609 CO 0.01 0.73 0.25 1.96 -1.03 0.00 0.00 178.44 180.36 1gqj h GLN 610 N 0.64 0.77 -0.52 2.65 4.20 -1.69 -1.96 115.11 119.20 1gqj h GLN 610 Ca 0.15 -0.11 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 1gqj h GLN 610 Cb 0.33 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1gqj h GLN 610 CO 0.00 0.63 -0.15 1.49 -0.67 0.00 0.00 178.83 180.14 1gqj h GLU 611 N 0.71 1.01 -0.05 1.46 4.57 -0.58 -0.19 114.58 121.51 1gqj h GLU 611 Ca 0.18 -0.39 0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1gqj h GLU 611 Cb 0.12 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1gqj h GLU 611 CO -0.02 1.07 -0.02 1.25 -1.18 0.00 0.00 179.01 180.11 1gqj h LEU 612 N 0.89 -0.05 -0.53 1.64 6.46 -0.95 -1.23 115.31 121.52 1gqj h LEU 612 Ca 0.13 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.93 1gqj h LEU 612 Cb 0.71 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.64 1gqj h LEU 612 CO 0.05 -0.02 0.32 0.58 -0.62 0.00 0.00 178.44 178.75 1gqj h VAL 613 N -0.01 1.05 -0.66 1.05 2.07 -1.23 -2.36 116.25 116.17 1gqj h VAL 613 Ca 0.02 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1gqj h VAL 613 Cb 0.04 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1gqj h VAL 613 CO -0.05 0.12 0.41 -0.74 0.02 0.00 0.00 177.57 177.32 1gqj h HIS 614 N 0.63 0.76 -0.30 1.57 -0.00 -0.83 -1.80 115.15 115.19 1gqj h HIS 614 Ca 0.21 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.56 1gqj h HIS 614 Cb 0.02 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 1gqj h HIS 614 CO -0.06 0.43 -0.01 0.87 -0.00 0.00 0.00 177.93 179.16 1gqj h LYS 615 N 0.79 0.54 -0.33 5.26 1.79 -1.03 0.81 116.57 124.40 1gqj h LYS 615 Ca 0.27 -0.18 0.02 0.00 -2.18 0.00 0.00 60.65 58.58 1gqj h LYS 615 Cb 0.04 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1gqj h LYS 615 CO -0.11 0.69 0.19 1.88 -1.08 0.00 0.00 179.45 181.01 1gqj h TYR 616 N 0.33 0.35 -0.45 -1.35 -1.99 -1.29 -0.93 116.97 111.64 1gqj h TYR 616 Ca 0.08 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.75 1gqj h TYR 616 Cb 0.45 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 1gqj h TYR 616 CO 0.04 0.20 -0.02 1.88 -0.00 0.00 0.00 178.16 180.26 1gqj h TYR 617 N 0.38 0.78 -0.58 4.88 0.05 -1.25 -2.97 116.97 118.26 1gqj h TYR 617 Ca 0.13 -0.11 0.02 0.00 0.05 0.00 0.00 58.73 58.82 1gqj h TYR 617 Cb 0.01 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.50 1gqj h TYR 617 CO -0.08 0.74 0.37 0.37 -1.05 0.00 0.00 178.16 178.51 1gqj h GLN 618 N 0.69 0.72 -0.60 4.88 4.15 -0.22 -1.81 115.11 122.92 1gqj h GLN 618 Ca 0.13 -0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.59 1gqj h GLN 618 Cb 0.45 -0.16 -0.07 0.00 0.21 0.00 0.00 27.48 27.91 1gqj h GLN 618 CO 0.02 0.48 0.25 0.78 -1.93 0.00 0.00 178.83 178.43 1gqj h GLY 619 N 0.74 0.85 0.93 2.39 0.00 -1.03 0.18 103.07 107.13 1gqj h GLY 619 Ca 0.22 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 1gqj h GLY 619 CO -0.07 0.02 0.06 -2.08 0.00 0.00 0.00 176.54 174.46 1gqj h VAL 620 N 0.45 1.24 -0.97 4.60 2.07 -1.46 -1.87 116.25 120.31 1gqj h VAL 620 Ca 0.29 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1gqj h VAL 620 Cb 0.32 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1gqj h VAL 620 CO -0.27 0.30 0.62 -0.33 0.02 0.00 0.00 177.57 177.91 1gqj h GLU 621 N 0.49 1.28 -0.89 1.57 4.39 -0.86 -1.04 114.58 119.53 1gqj h GLU 621 Ca 0.12 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1gqj h GLU 621 Cb 0.37 -0.28 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1gqj h GLU 621 CO 0.01 0.86 0.50 1.96 -1.16 0.00 0.00 179.01 181.19 1gqj h GLN 622 N 1.32 1.23 -0.63 2.33 4.20 -0.34 -0.02 115.11 123.20 1gqj h GLN 622 Ca 0.35 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 1gqj h GLN 622 Cb -0.12 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.38 1gqj h GLN 622 CO -0.07 0.89 0.16 0.28 -0.67 0.00 0.00 178.83 179.42 1gqj h VAL 623 N 1.24 1.25 -0.54 -0.54 2.07 -0.74 -1.24 116.25 117.76 1gqj h VAL 623 Ca 0.32 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 1gqj h VAL 623 Cb 0.00 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1gqj h VAL 623 CO -0.05 0.34 0.08 0.03 0.02 0.00 0.00 177.57 177.99 1gqj h ARG 624 N 0.93 0.86 -0.46 1.57 3.08 -0.73 0.23 114.38 119.84 1gqj h ARG 624 Ca 0.20 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1gqj h ARG 624 Cb 0.34 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1gqj h ARG 624 CO 0.00 0.80 -0.03 0.00 -1.07 0.00 0.00 179.97 179.67 1gqj h ALA 625 N 1.28 1.07 -0.76 0.04 0.00 -0.81 -2.17 119.26 117.91 1gqj h ALA 625 Ca 0.17 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1gqj h ALA 625 Cb 0.37 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1gqj h ALA 625 CO 0.01 0.58 0.33 0.52 0.00 0.00 0.00 179.25 180.68 1gqj h MET 626 N 0.73 1.12 -0.04 0.00 2.86 -0.19 0.14 114.93 119.55 1gqj h MET 626 Ca 0.14 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1gqj h MET 626 Cb 0.49 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1gqj h MET 626 CO 0.03 0.89 -0.14 1.96 1.06 0.00 0.00 176.91 180.71 1gqj h GLN 627 N 1.08 -0.21 -0.58 1.72 4.20 -0.64 0.55 115.11 121.23 1gqj h GLN 627 Ca 0.26 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 1gqj h GLN 627 Cb 0.18 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1gqj h GLN 627 CO -0.03 -0.14 0.30 0.00 -0.67 0.00 0.00 178.83 178.29 1gqj h ARG 628 N -0.22 0.82 -0.03 1.46 3.08 -1.10 -0.43 114.38 117.96 1gqj h ARG 628 Ca 0.06 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1gqj h ARG 628 Cb 0.30 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1gqj h ARG 628 CO -0.17 0.65 -0.12 1.15 -1.07 0.00 0.00 179.97 180.41 1gqj h THR 629 N 0.79 0.70 -0.94 2.04 2.02 -0.76 -2.67 112.91 114.09 1gqj h THR 629 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 1gqj h THR 629 Cb 0.08 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1gqj h THR 629 CO -0.03 0.00 0.55 -0.25 0.37 0.00 0.00 175.52 176.16 1gqj h TRP 630 N -0.19 1.25 -0.64 3.16 2.91 -0.38 -2.44 115.95 119.62 1gqj h TRP 630 Ca 0.05 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.10 1gqj h TRP 630 Cb 0.26 -0.41 -0.04 0.00 -0.51 0.00 0.00 29.16 28.46 1gqj h TRP 630 CO -0.19 0.84 0.42 -0.44 -1.03 0.00 0.00 178.44 178.05 1gqj h ASP 631 N 1.30 0.63 0.08 2.65 3.32 -0.89 -0.97 116.42 122.53 1gqj h ASP 631 Ca 0.33 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1gqj h ASP 631 Cb -0.03 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1gqj h ASP 631 CO -0.06 0.42 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 1gqj n GLN 632 N -4.47 0.46 -0.23 3.56 6.02 -0.92 -3.44 117.38 118.37 1gqj n GLN 632 Ca 0.08 0.03 0.09 0.00 -0.01 0.00 0.00 57.00 57.20 1gqj n GLN 632 Cb 0.16 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.14 1gqj n GLN 632 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1gqj n GLN 633 N -1.07 2.52 -0.02 -1.09 1.13 -0.37 -4.67 117.38 113.81 1gqj n GLN 633 Ca 0.12 -2.25 0.14 0.00 -1.94 0.00 0.00 57.00 53.07 1gqj n GLN 633 Cb 0.08 -1.44 0.58 0.00 0.11 0.00 0.00 30.24 29.57 1gqj n GLN 633 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1gqj h GLU 634 N 3.51 0.22 0.00 -1.09 4.81 -1.71 -0.77 114.58 119.55 1gqj h GLU 634 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1gqj h GLU 634 Cb 0.87 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1gqj h GLU 634 CO 0.00 0.15 0.00 0.00 -0.73 0.00 0.00 179.01 178.43 1gqj h ALA 635 N 1.74 1.00 0.00 2.92 0.00 -1.90 -3.31 119.26 119.71 1gqj h ALA 635 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1gqj h ALA 635 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1gqj h ALA 635 CO -0.05 0.00 -0.95 0.66 0.00 0.00 0.00 179.25 178.91 1gqj n TYR 636 N -2.89 0.00 -4.28 0.00 4.01 -0.30 -4.99 117.16 108.71 1gqj n TYR 636 Ca 0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.46 1gqj n TYR 636 Cb 0.30 -0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 39.16 1gqj n TYR 636 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1gqj s VAL 637 N -2.66 3.04 0.62 -0.72 1.01 -1.17 -4.72 120.40 115.80 1gqj s VAL 637 Ca 0.04 -1.50 -0.19 0.00 0.00 0.00 0.00 61.98 60.33 1gqj s VAL 637 Cb 0.12 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1gqj s VAL 637 CO 0.68 0.04 1.28 1.51 0.00 0.00 0.00 175.10 178.61 1gqj s ASP 638 N -2.35 4.86 0.31 3.32 -4.77 -1.26 -4.84 116.67 111.93 1gqj s ASP 638 Ca 0.21 2.59 0.02 0.00 -3.30 0.00 0.00 52.55 52.06 1gqj s ASP 638 Cb -0.10 -2.62 0.57 0.00 -1.09 0.00 0.00 42.92 39.68 1gqj s ASP 638 CO 0.12 -1.83 1.90 0.00 0.70 0.00 0.00 175.17 176.06 1gqj h ALA 639 N 0.79 1.55 0.47 2.11 0.00 -1.98 -1.85 119.26 120.35 1gqj h ALA 639 Ca -0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1gqj h ALA 639 Cb 1.32 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1gqj h ALA 639 CO 0.54 0.29 -0.22 0.00 0.00 0.00 0.00 179.25 179.86 1gqj h ALA 640 N 1.52 -0.63 -0.71 0.00 0.00 -1.91 -1.96 119.26 115.57 1gqj h ALA 640 Ca 0.41 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1gqj h ALA 640 Cb 0.29 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1gqj h ALA 640 CO -0.17 -0.62 0.47 0.00 0.00 0.00 0.00 179.25 178.93 1gqj h ARG 641 N -1.09 0.86 -0.20 0.00 3.08 -1.76 -1.65 114.38 113.62 1gqj h ARG 641 Ca -0.06 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 59.97 1gqj h ARG 641 Cb 0.55 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1gqj h ARG 641 CO 0.11 0.57 0.01 0.35 -1.07 0.00 0.00 179.97 179.93 1gqj h PHE 642 N 0.89 0.01 -0.42 3.04 3.57 -1.34 -0.96 116.94 121.72 1gqj h PHE 642 Ca 0.28 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.73 1gqj h PHE 642 Cb 0.01 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1gqj h PHE 642 CO -0.00 -0.02 -0.01 0.00 -2.23 0.00 0.00 178.31 176.05 1gqj h ALA 643 N 1.17 1.19 0.01 2.41 0.00 -0.95 -1.31 119.26 121.77 1gqj h ALA 643 Ca 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1gqj h ALA 643 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1gqj h ALA 643 CO -0.15 0.53 -0.01 0.37 0.00 0.00 0.00 179.25 179.99 1gqj h GLN 644 N 0.65 -0.02 -0.76 0.00 4.15 -1.10 -1.57 115.11 116.45 1gqj h GLN 644 Ca 0.13 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 1gqj h GLN 644 Cb 0.42 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1gqj h GLN 644 CO 0.02 0.47 0.33 0.28 -1.93 0.00 0.00 178.83 178.00 1gqj h VAL 645 N -0.52 1.25 -0.38 2.39 2.07 -1.13 -1.30 116.25 118.63 1gqj h VAL 645 Ca -0.00 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 66.82 1gqj h VAL 645 Cb 0.50 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1gqj h VAL 645 CO 0.00 0.31 0.12 0.50 0.02 0.00 0.00 177.57 178.52 1gqj h LYS 646 N 1.09 0.26 -0.40 1.57 3.64 -1.21 -1.05 116.57 120.47 1gqj h LYS 646 Ca 0.26 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1gqj h LYS 646 Cb 0.17 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1gqj h LYS 646 CO -0.03 0.17 0.15 0.00 -2.27 0.00 0.00 179.45 177.48 1gqj h ALA 647 N 1.25 0.52 -0.80 5.00 0.00 -1.07 -2.45 119.26 121.72 1gqj h ALA 647 Ca 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1gqj h ALA 647 Cb 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1gqj h ALA 647 CO -0.19 0.14 0.35 -0.07 0.00 0.00 0.00 179.25 179.47 1gqj h LEU 648 N 0.50 1.08 -1.56 0.00 3.38 -1.03 -1.80 115.31 115.88 1gqj h LEU 648 Ca 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1gqj h LEU 648 Cb 0.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1gqj h LEU 648 CO -0.01 0.93 0.15 -0.07 0.09 0.00 0.00 178.44 179.53 1gqj h LEU 649 N 1.15 0.39 -0.48 1.67 3.38 -1.02 0.11 115.31 120.51 1gqj h LEU 649 Ca 0.27 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 1gqj h LEU 649 Cb 0.17 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1gqj h LEU 649 CO -0.03 0.34 0.06 1.56 0.09 0.00 0.00 178.44 180.47 1gqj h GLN 650 N 0.45 0.80 -0.61 1.13 4.20 -0.86 -0.43 115.11 119.78 1gqj h GLN 650 Ca 0.11 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 1gqj h GLN 650 Cb 0.06 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1gqj h GLN 650 CO -0.02 0.82 0.21 0.28 -0.67 0.00 0.00 178.83 179.45 1gqj h VAL 651 N 0.67 1.24 -0.67 -0.54 2.07 -0.67 -2.40 116.25 115.95 1gqj h VAL 651 Ca 0.14 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 1gqj h VAL 651 Cb 0.41 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1gqj h VAL 651 CO 0.01 0.31 0.14 -0.61 0.02 0.00 0.00 177.57 177.44 1gqj h GLN 652 N 0.87 1.08 -0.71 1.57 4.15 -0.67 -1.52 115.11 119.88 1gqj h GLN 652 Ca 0.20 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1gqj h GLN 652 Cb 0.27 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1gqj h GLN 652 CO -0.01 0.97 0.39 1.49 -1.93 0.00 0.00 178.83 179.74 1gqj h GLU 653 N 1.02 0.99 -0.43 1.69 4.22 -0.87 0.30 114.58 121.50 1gqj h GLU 653 Ca 0.21 -0.12 -0.04 0.00 0.08 0.00 0.00 59.36 59.49 1gqj h GLU 653 Cb 0.39 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1gqj h GLU 653 CO 0.01 0.74 0.09 -0.09 -2.18 0.00 0.00 179.01 177.58 1gqj h ARG 654 N 0.98 0.69 -0.29 1.92 2.43 -1.17 -1.32 114.38 117.62 1gqj h ARG 654 Ca 0.25 -0.17 -0.14 0.00 -0.81 0.00 0.00 59.98 59.10 1gqj h ARG 654 Cb 0.04 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1gqj h ARG 654 CO -0.04 0.71 -0.40 0.93 -1.51 0.00 0.00 179.97 179.66 1gqj h GLU 655 N 0.56 0.70 -0.57 0.20 4.39 -1.05 -1.86 114.58 116.94 1gqj h GLU 655 Ca 0.13 -0.36 -0.07 0.00 0.34 0.00 0.00 59.36 59.40 1gqj h GLU 655 Cb 0.33 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1gqj h GLU 655 CO 0.00 0.97 0.08 0.00 -1.16 0.00 0.00 179.01 178.91 1gqj h ALA 656 N 0.98 1.07 -0.68 3.43 0.00 -0.21 0.34 119.26 124.18 1gqj h ALA 656 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1gqj h ALA 656 Cb 0.94 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1gqj h ALA 656 CO 0.09 0.60 0.34 0.28 0.00 0.00 0.00 179.25 180.56 1gqj h VAL 657 N 0.88 1.22 -0.58 0.00 2.07 -1.19 0.12 116.25 118.77 1gqj h VAL 657 Ca 0.18 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1gqj h VAL 657 Cb 0.40 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1gqj h VAL 657 CO 0.01 0.26 0.04 -0.09 0.02 0.00 0.00 177.57 177.81 1gqj h ARG 658 N 0.95 1.01 0.03 1.57 2.43 -0.52 -0.67 114.38 119.17 1gqj h ARG 658 Ca 0.24 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1gqj h ARG 658 Cb 0.10 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1gqj h ARG 658 CO -0.03 0.98 -0.01 -1.49 -1.51 0.00 0.00 179.97 177.90 1gqj h TRP 659 N 0.90 -0.03 0.05 2.20 4.06 -0.09 -1.65 115.95 121.39 1gqj h TRP 659 Ca 0.17 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.14 1gqj h TRP 659 Cb 0.50 0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.64 1gqj h TRP 659 CO 0.04 0.13 -0.16 -0.09 -3.56 0.00 0.00 178.44 174.79 1gqj h ARG 660 N -0.19 -0.28 -0.67 0.49 2.43 -0.60 -1.43 114.38 114.13 1gqj h ARG 660 Ca -0.00 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1gqj h ARG 660 Cb 0.18 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1gqj h ARG 660 CO 0.01 -0.19 0.32 -0.91 -1.51 0.00 0.00 179.97 177.69 1gqj h ASN 661 N -0.30 0.87 -0.41 -3.80 2.35 -1.14 -0.47 115.58 112.68 1gqj h ASN 661 Ca 0.04 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 1gqj h ASN 661 Cb 0.33 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1gqj h ASN 661 CO -0.12 0.76 0.07 0.28 -1.65 0.00 0.00 177.43 176.77 1gqj h SER 662 N 0.92 0.64 -0.00 5.81 0.02 -1.17 -1.10 113.55 118.68 1gqj h SER 662 Ca 0.23 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1gqj h SER 662 Cb 0.12 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1gqj h SER 662 CO -0.03 0.73 -0.08 0.00 -1.14 0.00 0.00 176.83 176.32 1gqj h VAL 664 N -0.70 1.04 -0.12 0.00 2.07 -1.13 0.04 116.25 117.44 1gqj h VAL 664 Ca -0.01 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 1gqj h VAL 664 Cb 0.86 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1gqj h VAL 664 CO 0.02 0.13 -0.47 -0.07 0.02 0.00 0.00 177.57 177.20 1gqj h LEU 665 N 0.72 0.33 0.15 2.57 3.38 -1.29 0.42 115.31 121.59 1gqj h LEU 665 Ca 0.26 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1gqj h LEU 665 Cb 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1gqj h LEU 665 CO -0.12 0.75 -0.07 0.22 0.09 0.00 0.00 178.44 179.31 1gqj h TYR 666 N 0.25 -0.18 -0.23 1.13 3.20 -0.94 -1.78 116.97 118.42 1gqj h TYR 666 Ca 0.02 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1gqj h TYR 666 Cb 0.92 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1gqj h TYR 666 CO 0.02 0.18 -0.05 0.74 -1.64 0.00 0.00 178.16 177.41 1gqj h PHE 667 N -0.58 0.36 -0.74 -3.82 0.04 -0.91 -1.76 116.94 109.52 1gqj h PHE 667 Ca -0.02 -0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.75 1gqj h PHE 667 Cb 0.44 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.44 1gqj h PHE 667 CO 0.04 0.41 0.47 0.37 -0.60 0.00 0.00 178.31 179.00 1gqj h GLN 668 N 0.33 0.89 0.00 1.51 4.15 -0.86 0.29 115.11 121.41 1gqj h GLN 668 Ca 0.07 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 1gqj h GLN 668 Cb 0.31 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1gqj h GLN 668 CO 0.01 0.59 -0.19 0.66 -1.93 0.00 0.00 178.83 177.97 1gqj h SER 669 N 0.91 0.00 0.03 -0.69 4.64 -0.42 0.52 113.55 118.55 1gqj h SER 669 Ca 0.30 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.44 1gqj h SER 669 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1gqj h SER 669 CO -0.11 0.19 -0.93 0.58 -0.87 0.00 0.00 176.83 175.69 1gqj h VAL 670 N 0.00 1.21 -0.01 0.95 2.07 -1.13 -3.38 116.25 115.96 1gqj h VAL 670 Ca -0.00 -2.29 -0.17 0.00 0.82 0.00 0.00 66.70 65.05 1gqj h VAL 670 Cb 0.39 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 1gqj h VAL 670 CO 0.02 0.51 -0.78 0.00 0.02 0.00 0.00 177.57 177.35 1gqj h ALA 671 N -0.22 0.68 -4.46 1.67 0.00 -0.32 -3.30 119.26 113.31 1gqj h ALA 671 Ca -0.23 -0.68 -0.28 0.00 0.00 0.00 0.00 54.91 53.72 1gqj h ALA 671 Cb 1.35 -0.10 0.10 0.00 0.00 0.00 0.00 17.79 19.14 1gqj h ALA 671 CO -0.07 0.90 -0.49 0.41 0.00 0.00 0.00 179.25 180.00 1gqj n GLY 672 N 0.68 -0.11 3.31 0.00 0.00 0.18 -4.86 105.19 104.38 1gqj n GLY 672 Ca -0.02 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1gqj n GLY 672 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqj s ARG 673 N -5.82 1.28 0.51 1.61 0.52 -1.25 -5.09 118.95 110.70 1gqj s ARG 673 Ca 0.37 -1.16 -0.14 0.00 -0.52 0.00 0.00 55.73 54.28 1gqj s ARG 673 Cb -0.16 -1.56 -0.07 0.00 0.52 0.00 0.00 34.95 33.68 1gqj s ARG 673 CO 0.52 0.38 0.95 -1.25 0.02 0.00 0.00 175.30 175.91 1gqj s PRO 674 N -1.76 3.86 -0.06 3.54 0.04 -1.26 -4.82 135.00 134.54 1gqj s PRO 674 Ca 0.09 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 1gqj s PRO 674 Cb -0.10 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1gqj s PRO 674 CO 0.04 -0.26 1.05 0.42 0.04 0.00 0.00 177.00 178.28 1gqj s ILE 675 N -2.65 4.66 0.32 0.56 1.01 -1.26 -5.00 121.20 118.84 1gqj s ILE 675 Ca 0.57 1.93 -0.28 0.00 0.00 0.00 0.00 60.65 62.86 1gqj s ILE 675 Cb -0.10 -4.24 -0.13 0.00 0.01 0.00 0.00 42.46 38.00 1gqj s ILE 675 CO 0.35 0.05 1.19 -2.65 0.00 0.00 0.00 174.94 173.88 1gqj n PRO 676 N 4.72 1.85 0.25 2.79 -0.02 -1.26 -4.88 135.00 138.45 1gqj n PRO 676 Ca 0.09 0.65 0.18 0.00 -2.02 0.00 0.00 63.50 62.39 1gqj n PRO 676 Cb 0.49 -2.16 0.89 0.00 -0.02 0.00 0.00 33.50 32.70 1gqj n PRO 676 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gqj h ALA 677 N 2.38 1.60 0.00 3.55 0.00 -2.02 -1.84 119.26 122.93 1gqj h ALA 677 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1gqj h ALA 677 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1gqj h ALA 677 CO 0.62 -0.28 0.00 0.27 0.00 0.00 0.00 179.25 179.86 1gqj n ASN 678 N -3.49 0.00 -4.67 0.00 6.94 -1.26 -4.68 115.26 108.10 1gqj n ASN 678 Ca 0.00 -0.09 -0.35 0.00 -0.02 0.00 0.00 54.58 54.12 1gqj n ASN 678 Cb 0.31 -0.22 -0.10 0.00 -2.36 0.00 0.00 39.78 37.42 1gqj n ASN 678 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1gqj s TYR 679 N -2.44 3.18 0.04 -2.53 2.02 -0.69 -5.06 117.35 111.86 1gqj s TYR 679 Ca 0.19 0.15 -0.30 0.00 -0.37 0.00 0.00 57.07 56.74 1gqj s TYR 679 Cb 0.12 -1.84 -0.09 0.00 -0.40 0.00 0.00 41.96 39.75 1gqj s TYR 679 CO 0.25 0.40 1.97 -1.83 -1.57 0.00 0.00 175.55 174.77 1gqj s GLU 680 N -0.64 4.14 0.22 -0.62 -1.05 -1.26 -4.93 118.70 114.56 1gqj s GLU 680 Ca 0.11 2.62 -0.30 0.00 -0.15 0.00 0.00 54.97 57.24 1gqj s GLU 680 Cb -0.12 -4.15 -0.09 0.00 -0.44 0.00 0.00 34.13 29.33 1gqj s GLU 680 CO 0.02 -0.95 1.29 -1.14 0.95 0.00 0.00 175.26 175.43 1gqj s GLN 681 N 4.44 4.41 0.31 -4.83 2.00 -1.26 -4.94 119.66 119.79 1gqj s GLN 681 Ca 0.88 2.05 -0.27 0.00 -2.00 0.00 0.00 55.36 56.03 1gqj s GLN 681 Cb -0.43 -3.18 -0.14 0.00 0.80 0.00 0.00 33.01 30.07 1gqj s GLN 681 CO 0.41 -0.20 0.87 -2.30 -0.50 0.00 0.00 175.29 173.58 1gqj n PRO 682 N 2.24 1.04 -0.34 1.67 -0.02 -1.26 -4.89 135.00 133.44 1gqj n PRO 682 Ca 0.05 0.37 0.17 0.00 -2.02 0.00 0.00 63.50 62.06 1gqj n PRO 682 Cb 0.43 -1.69 0.39 0.00 -0.02 0.00 0.00 33.50 32.61 1gqj n PRO 682 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1gqj h GLU 683 N 1.63 0.58 0.00 -0.52 5.08 -1.99 -3.45 114.58 115.92 1gqj h GLU 683 Ca -0.38 -0.04 -0.35 0.00 -1.00 0.00 0.00 59.36 57.59 1gqj h GLU 683 Cb 1.36 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.40 1gqj h GLU 683 CO 0.58 0.39 -0.30 0.72 -1.00 0.00 0.00 179.01 179.40 1gqj n HIS 684 N -4.81 -0.05 -2.57 4.33 8.25 -1.26 -5.19 115.22 113.92 1gqj n HIS 684 Ca 0.26 -1.74 -0.23 0.00 -0.26 0.00 0.00 57.72 55.75 1gqj n HIS 684 Cb 0.72 0.04 0.07 0.00 1.12 0.00 0.00 29.99 31.94 1gqj n HIS 684 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1gqj s ASP 685 N -2.61 4.81 0.25 0.41 3.84 -1.26 -4.98 116.67 117.13 1gqj s ASP 685 Ca 0.16 -0.13 -0.05 0.00 -0.00 0.00 0.00 52.55 52.53 1gqj s ASP 685 Cb 0.01 -0.51 0.29 0.00 -1.38 0.00 0.00 42.92 41.33 1gqj s ASP 685 CO 0.12 -1.51 1.92 0.25 -0.00 0.00 0.00 175.17 175.95 1gqj h LEU 686 N -0.26 1.13 -1.23 2.11 5.85 -1.94 -1.83 115.31 119.15 1gqj h LEU 686 Ca -0.40 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 1gqj h LEU 686 Cb 1.29 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1gqj h LEU 686 CO 0.48 0.80 0.42 -0.08 -0.34 0.00 0.00 178.44 179.72 1gqj h GLU 687 N 1.33 0.94 -0.76 1.25 4.57 -1.99 -0.93 114.58 118.99 1gqj h GLU 687 Ca 0.38 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.44 1gqj h GLU 687 Cb -0.10 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.26 1gqj h GLU 687 CO -0.10 0.66 0.34 -0.92 -1.18 0.00 0.00 179.01 177.81 1gqj h TYR 688 N 0.96 1.12 -0.08 0.92 5.03 -1.73 -1.12 116.97 122.07 1gqj h TYR 688 Ca 0.25 -0.07 -0.13 0.00 2.58 0.00 0.00 58.73 61.37 1gqj h TYR 688 Cb -0.03 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 37.89 1gqj h TYR 688 CO 0.00 0.84 -0.51 1.88 -1.32 0.00 0.00 178.16 179.05 1gqj h TYR 689 N 1.08 0.27 -0.59 -3.82 -1.99 -1.14 0.15 116.97 110.94 1gqj h TYR 689 Ca 0.26 -0.09 0.01 0.00 2.00 0.00 0.00 58.73 60.91 1gqj h TYR 689 Cb 0.16 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 38.81 1gqj h TYR 689 CO 0.01 0.69 0.39 0.87 -0.00 0.00 0.00 178.16 180.12 1gqj h LYS 690 N 0.18 0.76 -0.49 4.88 1.57 -0.85 -0.61 116.57 122.01 1gqj h LYS 690 Ca 0.01 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1gqj h LYS 690 Cb 0.97 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1gqj h LYS 690 CO 0.08 0.50 0.21 1.98 -0.57 0.00 0.00 179.45 181.66 1gqj h MET 691 N 0.78 0.72 -0.80 3.15 4.05 -0.83 -2.16 114.93 119.84 1gqj h MET 691 Ca 0.22 -0.12 0.02 0.00 -0.28 0.00 0.00 59.70 59.54 1gqj h MET 691 Cb -0.08 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.56 1gqj h MET 691 CO -0.05 0.63 0.53 -0.07 0.23 0.00 0.00 176.91 178.17 1gqj h LEU 692 N 0.65 0.88 -1.06 3.39 3.38 -0.54 -2.03 115.31 119.98 1gqj h LEU 692 Ca 0.17 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1gqj h LEU 692 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1gqj h LEU 692 CO -0.02 0.62 -0.14 0.00 0.09 0.00 0.00 178.44 178.99 1gqj h ALA 693 N 1.52 1.21 0.00 1.53 0.00 -0.60 0.48 119.26 123.40 1gqj h ALA 693 Ca 0.31 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1gqj h ALA 693 Cb -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1gqj h ALA 693 CO -0.08 0.51 -0.31 0.00 0.00 0.00 0.00 179.25 179.37 1gqj h ARG 694 N 0.47 0.00 0.00 0.00 3.08 -0.96 -3.38 114.38 113.59 1gqj h ARG 694 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1gqj h ARG 694 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1gqj h ARG 694 CO 0.03 0.31 -0.23 0.25 -1.07 0.00 0.00 179.97 179.26 1gqj n THR 695 N -3.39 0.00 -2.53 2.04 -2.24 -0.80 -4.70 114.28 102.66 1gqj n THR 695 Ca 0.00 -0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 60.96 1gqj n THR 695 Cb 0.51 0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 1gqj n THR 695 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1gqj s THR 696 N -1.28 4.45 0.13 4.28 2.01 0.13 -4.94 115.64 120.40 1gqj s THR 696 Ca 0.00 1.75 -0.35 0.00 0.31 0.00 0.00 61.69 63.40 1gqj s THR 696 Cb 0.01 -4.13 -0.15 0.00 0.01 0.00 0.00 72.50 68.24 1gqj s THR 696 CO 0.05 -0.06 1.40 0.00 -0.69 0.00 0.00 174.62 175.32 1gqj n TYR 697 N 5.68 1.77 -3.21 4.92 9.36 -1.26 -4.94 117.16 129.48 1gqj n TYR 697 Ca 0.11 0.51 -0.43 0.00 3.32 0.00 0.00 57.90 61.42 1gqj n TYR 697 Cb 0.46 -2.40 -0.08 0.00 -0.63 0.00 0.00 39.34 36.70 1gqj n TYR 697 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1gqj s VAL 698 N 0.50 4.95 -1.30 2.97 1.01 -1.26 -5.00 120.40 122.26 1gqj s VAL 698 Ca 0.80 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.59 1gqj s VAL 698 Cb -0.84 -4.13 0.15 0.00 0.00 0.00 0.00 36.38 31.57 1gqj s VAL 698 CO 0.45 -0.51 1.91 -0.81 0.00 0.00 0.00 175.10 176.13 1gqj n PRO 699 N 5.96 3.52 -3.67 2.72 -0.04 -1.26 -4.31 135.00 137.91 1gqj n PRO 699 Ca -0.04 -3.42 -0.10 0.00 -0.04 0.00 0.00 63.50 59.90 1gqj n PRO 699 Cb 0.48 -2.98 -0.11 0.00 -0.04 0.00 0.00 33.50 30.86 1gqj n PRO 699 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1gqj s GLU 700 N 0.78 0.32 0.25 0.54 2.12 -1.26 -4.78 118.70 116.67 1gqj s GLU 700 Ca 0.41 0.90 -0.04 0.00 0.36 0.00 0.00 54.97 56.59 1gqj s GLU 700 Cb 0.10 0.15 0.36 0.00 0.26 0.00 0.00 34.13 35.00 1gqj s GLU 700 CO -0.01 -0.22 1.87 -1.35 -0.54 0.00 0.00 175.26 175.01 1gqj h PRO 701 N 7.78 1.05 0.32 4.30 0.11 -1.88 -3.32 132.00 140.37 1gqj h PRO 701 Ca -0.24 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1gqj h PRO 701 Cb 1.14 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1gqj h PRO 701 CO 0.19 0.70 -0.15 2.35 -0.21 0.00 0.00 178.00 180.88 1gqj h TRP 702 N 1.09 -0.40 -3.12 0.65 7.01 -1.86 -3.44 115.95 115.88 1gqj h TRP 702 Ca 0.40 -0.01 -0.53 0.00 2.11 0.00 0.00 58.89 60.87 1gqj h TRP 702 Cb 0.15 0.13 0.03 0.00 -2.10 0.00 0.00 29.16 27.38 1gqj h TRP 702 CO -0.02 -0.09 0.72 -1.58 -2.79 0.00 0.00 178.44 174.69 1gqj s HIS 703 N -4.88 3.22 0.60 2.65 2.46 -1.25 -4.90 115.29 113.19 1gqj s HIS 703 Ca -0.14 1.00 0.29 0.00 0.47 0.00 0.00 55.06 56.67 1gqj s HIS 703 Cb 0.02 -3.69 1.42 0.00 -0.13 0.00 0.00 32.58 30.21 1gqj s HIS 703 CO 0.56 -2.35 1.83 -1.35 -2.47 0.00 0.00 174.74 170.96 1gqj h PRO 704 N 6.28 0.00 -0.42 2.88 0.11 -1.90 -2.04 132.00 136.91 1gqj h PRO 704 Ca -0.43 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.80 1gqj h PRO 704 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1gqj h PRO 704 CO 0.84 0.00 0.32 0.00 -0.21 0.00 0.00 178.00 178.95 1gqj h ALA 705 N 1.35 2.34 0.00 -0.75 0.00 -1.93 -0.76 119.26 119.50 1gqj h ALA 705 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1gqj h ALA 705 Cb 1.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1gqj h ALA 705 CO -0.00 -0.54 0.00 0.66 0.00 0.00 0.00 179.25 179.37 1gqj h SER 706 N 0.00 0.00 -0.17 0.00 4.64 -1.55 -1.81 113.55 114.65 1gqj h SER 706 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1gqj h SER 706 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1gqj h SER 706 CO -0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1gqj n SER 707 N -2.89 3.14 -4.69 4.97 7.64 -0.30 -4.85 113.62 116.64 1gqj n SER 707 Ca -0.01 -1.98 -0.42 0.00 1.01 0.00 0.00 58.87 57.47 1gqj n SER 707 Cb 0.20 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 1gqj n SER 707 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1gqj s SER 708 N -1.80 6.66 -0.04 6.43 0.15 -0.68 -4.88 113.70 119.55 1gqj s SER 708 Ca 0.33 2.38 0.15 0.00 0.70 0.00 0.00 55.95 59.50 1gqj s SER 708 Cb 0.21 -2.56 0.50 0.00 -1.71 0.00 0.00 66.02 62.46 1gqj s SER 708 CO 0.31 -0.85 1.40 0.54 1.20 0.00 0.00 173.24 175.83 1gqj n ARG 709 N 5.70 2.62 -1.70 5.44 1.74 -1.26 -4.95 116.66 124.24 1gqj n ARG 709 Ca 0.15 -2.01 -0.43 0.00 -0.77 0.00 0.00 57.85 54.79 1gqj n ARG 709 Cb 0.41 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1gqj n ARG 709 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1gqj n VAL 710 N 0.93 0.14 -0.20 1.55 0.31 -1.26 -4.89 118.33 114.91 1gqj n VAL 710 Ca 0.18 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1gqj n VAL 710 Cb 0.57 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 1gqj n VAL 710 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1gqj n LEU 711 N 4.55 1.01 0.00 7.52 4.77 -1.26 -4.59 117.00 129.00 1gqj n LEU 711 Ca 0.17 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 1gqj n LEU 711 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1gqj n LEU 711 CO 0.65 0.25 0.02 0.29 -1.33 0.00 0.00 177.39 177.27