#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqk n ASP 6 N 0.00 3.13 0.00 1.62 5.68 -1.26 -4.53 116.55 121.19 1gqk n ASP 6 Ca 0.00 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.23 1gqk n ASP 6 Cb 0.00 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.70 1gqk n ASP 6 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gqk n GLY 7 N 0.60 1.58 0.26 6.12 0.00 -1.26 -3.86 105.19 108.63 1gqk n GLY 7 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 1gqk n GLY 7 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1gqk h TYR 8 N 0.00 0.38 -0.00 1.61 3.20 -1.87 -2.09 116.97 118.19 1gqk h TYR 8 Ca 0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1gqk h TYR 8 Cb 0.00 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1gqk h TYR 8 CO 0.00 0.40 -0.03 -0.25 -1.64 0.00 0.00 178.16 176.64 1gqk n ASP 9 N -4.32 0.03 0.00 -2.11 8.00 -1.26 -4.97 116.55 111.92 1gqk n ASP 9 Ca 0.00 0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1gqk n ASP 9 Cb 0.22 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1gqk n ASP 9 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1gqk n MET 10 N -1.49 0.00 -0.09 -1.24 2.81 -0.79 -1.16 117.12 115.16 1gqk n MET 10 Ca 0.07 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.08 1gqk n MET 10 Cb 0.34 0.00 0.30 0.00 -0.71 0.00 0.00 33.22 33.15 1gqk n MET 10 CO 0.00 0.00 0.00 -2.67 1.51 0.00 0.00 175.97 174.81 1gqk n TRP 11 N 12.29 0.23 -2.54 2.03 2.14 -1.26 -4.40 117.44 125.93 1gqk n TRP 11 Ca 0.00 -0.11 -0.41 0.00 2.07 0.00 0.00 57.50 59.05 1gqk n TRP 11 Cb 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 31.31 30.51 1gqk n TRP 11 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1gqk n LEU 12 N 0.83 7.44 -4.45 5.67 4.77 -0.31 -4.63 117.00 126.32 1gqk n LEU 12 Ca 0.17 -5.28 -0.44 0.00 -0.03 0.00 0.00 56.01 50.44 1gqk n LEU 12 Cb 0.46 -1.21 -0.07 0.00 -2.33 0.00 0.00 43.42 40.27 1gqk n LEU 12 CO 0.15 2.02 0.21 -0.13 -1.33 0.00 0.00 177.39 178.31 1gqk s ARG 13 N -3.61 3.09 -1.14 3.23 0.52 -1.26 -4.88 118.95 114.90 1gqk s ARG 13 Ca 0.41 -0.93 -0.05 0.00 -0.52 0.00 0.00 55.73 54.64 1gqk s ARG 13 Cb 0.18 -4.06 0.26 0.00 0.52 0.00 0.00 34.95 31.85 1gqk s ARG 13 CO -0.11 -1.07 1.70 0.66 0.02 0.00 0.00 175.30 176.50 1gqk n TYR 14 N 5.81 2.49 -3.92 -0.53 4.01 -1.26 -4.97 117.16 118.78 1gqk n TYR 14 Ca -0.08 -2.63 -0.28 0.00 -0.16 0.00 0.00 57.90 54.75 1gqk n TYR 14 Cb 0.46 -1.45 -0.03 0.00 -0.31 0.00 0.00 39.34 38.00 1gqk n TYR 14 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1gqk s GLN 15 N -2.16 3.45 0.26 -0.72 -0.21 -1.26 -3.72 119.66 115.29 1gqk s GLN 15 Ca 0.36 -0.52 -0.31 0.00 0.02 0.00 0.00 55.36 54.91 1gqk s GLN 15 Cb 0.09 -2.99 -0.13 0.00 1.00 0.00 0.00 33.01 30.98 1gqk s GLN 15 CO 0.04 0.55 1.37 -2.30 -2.12 0.00 0.00 175.29 172.82 1gqk n PRO 16 N -0.23 2.00 -1.68 2.91 -0.02 -0.83 -4.10 135.00 133.06 1gqk n PRO 16 Ca -0.06 0.71 -0.45 0.00 -2.02 0.00 0.00 63.50 61.68 1gqk n PRO 16 Cb 0.53 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 1gqk n PRO 16 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1gqk n ILE 17 N 1.58 0.34 -0.03 4.25 2.08 -0.78 -4.88 119.36 121.90 1gqk n ILE 17 Ca 0.10 -0.06 -0.10 0.00 0.56 0.00 0.00 62.75 63.25 1gqk n ILE 17 Cb 0.32 -1.89 0.04 0.00 -0.75 0.00 0.00 39.64 37.36 1gqk n ILE 17 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1gqk h ALA 18 N 8.04 0.68 -1.84 -1.39 0.00 -1.93 -3.42 119.26 119.41 1gqk h ALA 18 Ca -0.47 -0.48 -0.57 0.00 0.00 0.00 0.00 54.91 53.39 1gqk h ALA 18 Cb 1.25 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1gqk h ALA 18 CO 0.93 0.67 1.16 0.34 0.00 0.00 0.00 179.25 182.36 1gqk s ASP 19 N -6.89 6.15 0.27 0.00 -1.08 -1.26 -4.89 116.67 108.97 1gqk s ASP 19 Ca -0.09 1.08 -0.01 0.00 -0.52 0.00 0.00 52.55 53.01 1gqk s ASP 19 Cb 0.11 -2.53 0.38 0.00 -1.46 0.00 0.00 42.92 39.42 1gqk s ASP 19 CO 0.85 -1.54 1.80 1.56 0.52 0.00 0.00 175.17 178.36 1gqk h GLN 20 N 11.63 0.79 -0.29 4.34 1.08 -1.99 -0.28 115.11 130.39 1gqk h GLN 20 Ca -0.31 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 56.67 1gqk h GLN 20 Cb 1.13 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.45 1gqk h GLN 20 CO 1.06 0.76 0.03 1.15 -0.95 0.00 0.00 178.83 180.87 1gqk h THR 21 N 0.75 1.24 -0.40 -0.54 2.02 -1.96 -2.33 112.91 111.70 1gqk h THR 21 Ca 0.16 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.45 1gqk h THR 21 Cb 0.36 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1gqk h THR 21 CO 0.01 0.28 0.15 -0.07 0.37 0.00 0.00 175.52 176.26 1gqk h LEU 22 N 0.30 0.56 -0.72 2.58 3.38 -1.91 -2.12 115.31 117.38 1gqk h LEU 22 Ca 0.08 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 57.98 1gqk h LEU 22 Cb 0.38 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 1gqk h LEU 22 CO 0.01 0.58 0.35 0.25 0.09 0.00 0.00 178.44 179.72 1gqk h LEU 23 N 0.50 0.43 -0.63 1.67 5.85 -0.98 -1.22 115.31 120.94 1gqk h LEU 23 Ca 0.13 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1gqk h LEU 23 Cb 0.20 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1gqk h LEU 23 CO -0.01 0.23 0.26 0.11 -0.34 0.00 0.00 178.44 178.70 1gqk h LYS 24 N 0.57 0.93 -0.43 1.25 1.79 -1.12 -0.39 116.57 119.17 1gqk h LYS 24 Ca 0.36 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1gqk h LYS 24 Cb 0.42 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1gqk h LYS 24 CO -0.29 0.78 0.28 1.15 -1.08 0.00 0.00 179.45 180.29 1gqk h THR 25 N 0.88 1.11 -0.81 -0.16 2.02 -0.62 -1.20 112.91 114.13 1gqk h THR 25 Ca 0.21 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1gqk h THR 25 Cb 0.19 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1gqk h THR 25 CO -0.02 0.11 0.33 1.88 0.37 0.00 0.00 175.52 178.19 1gqk h TYR 26 N 0.58 1.22 -0.33 3.16 0.05 -0.89 -1.67 116.97 119.10 1gqk h TYR 26 Ca 0.16 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1gqk h TYR 26 Cb -0.06 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.30 1gqk h TYR 26 CO -0.04 0.92 0.11 1.96 -1.05 0.00 0.00 178.16 180.06 1gqk h GLN 27 N 1.17 0.47 0.04 4.88 4.20 -0.65 0.28 115.11 125.50 1gqk h GLN 27 Ca 0.27 -0.06 -0.25 0.00 0.06 0.00 0.00 58.65 58.67 1gqk h GLN 27 Cb 0.21 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 27.91 1gqk h GLN 27 CO -0.02 0.41 -1.05 0.87 -0.67 0.00 0.00 178.83 178.37 1gqk h LYS 28 N 0.47 0.41 0.06 1.46 1.79 -0.79 -3.33 116.57 116.63 1gqk h LYS 28 Ca 0.11 -0.50 -0.28 0.00 -2.18 0.00 0.00 60.65 57.81 1gqk h LYS 28 Cb 0.13 0.16 0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1gqk h LYS 28 CO -0.01 1.17 -1.14 1.96 -1.08 0.00 0.00 179.45 180.35 1gqk h GLN 29 N 0.20 0.65 -3.86 3.15 4.20 -0.96 -3.41 115.11 115.08 1gqk h GLN 29 Ca -0.11 -0.78 -0.68 0.00 0.06 0.00 0.00 58.65 57.15 1gqk h GLN 29 Cb 1.71 0.24 -0.37 0.00 0.30 0.00 0.00 27.48 29.36 1gqk h GLN 29 CO 0.18 1.34 -0.50 0.42 -0.67 0.00 0.00 178.83 179.60 1gqk s ILE 30 N -3.16 3.21 -0.08 2.54 -1.09 0.05 -4.16 121.20 118.52 1gqk s ILE 30 Ca -0.09 -2.78 0.18 0.00 -2.23 0.00 0.00 60.65 55.73 1gqk s ILE 30 Cb 0.06 -3.16 -0.27 0.00 -1.58 0.00 0.00 42.46 37.51 1gqk s ILE 30 CO 0.93 -0.79 0.30 0.54 -1.23 0.00 0.00 174.94 174.69 1gqk n ARG 31 N 3.73 0.75 -4.08 2.79 1.74 0.12 -4.73 116.66 116.97 1gqk n ARG 31 Ca 0.05 -0.12 -0.07 0.00 -0.77 0.00 0.00 57.85 56.93 1gqk n ARG 31 Cb 0.38 -1.46 -0.10 0.00 -1.02 0.00 0.00 32.46 30.26 1gqk n ARG 31 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1gqk s HIS 32 N -3.04 0.50 -0.20 -1.55 3.76 -1.02 -4.97 115.29 108.77 1gqk s HIS 32 Ca -0.08 -1.04 0.00 0.00 -0.15 0.00 0.00 55.06 53.80 1gqk s HIS 32 Cb 0.10 -0.37 0.05 0.00 1.11 0.00 0.00 32.58 33.47 1gqk s HIS 32 CO 0.78 -0.38 -0.06 -1.17 -0.85 0.00 0.00 174.74 173.05 1gqk s LEU 33 N -2.89 2.17 -0.30 0.89 2.96 -1.26 -0.68 118.68 119.57 1gqk s LEU 33 Ca 0.06 -0.94 -0.10 0.00 -0.22 0.00 0.00 54.13 52.93 1gqk s LEU 33 Cb 0.08 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.65 1gqk s LEU 33 CO -0.10 -0.20 0.17 -2.28 -1.32 0.00 0.00 176.35 172.62 1gqk s HIS 34 N 1.48 3.19 -0.24 5.38 5.65 0.17 -1.59 115.29 129.34 1gqk s HIS 34 Ca -0.03 -0.29 -0.02 0.00 0.25 0.00 0.00 55.06 54.97 1gqk s HIS 34 Cb -0.17 -2.37 0.07 0.00 -1.18 0.00 0.00 32.58 28.93 1gqk s HIS 34 CO -0.07 -0.35 0.06 0.08 -0.65 0.00 0.00 174.74 173.81 1gqk s VAL 35 N 1.68 0.61 0.08 0.89 1.01 -0.29 -1.93 120.40 122.44 1gqk s VAL 35 Ca 0.06 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1gqk s VAL 35 Cb -0.17 -1.23 -0.27 0.00 0.00 0.00 0.00 36.38 34.71 1gqk s VAL 35 CO 0.08 -0.38 1.16 0.00 0.00 0.00 0.00 175.10 175.96 1gqk h ALA 36 N 8.20 0.15 -2.36 5.51 0.00 -1.82 -3.35 119.26 125.60 1gqk h ALA 36 Ca -0.16 -0.90 -0.49 0.00 0.00 0.00 0.00 54.91 53.36 1gqk h ALA 36 Cb 1.08 -0.02 0.13 0.00 0.00 0.00 0.00 17.79 18.98 1gqk h ALA 36 CO 0.39 1.04 0.30 0.20 0.00 0.00 0.00 179.25 181.18 1gqk s GLY 37 N -4.68 1.63 0.00 0.00 0.00 -1.23 -4.97 107.32 98.07 1gqk s GLY 37 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.63 1gqk s GLY 37 CO 0.87 0.37 0.83 2.09 0.00 0.00 0.00 173.10 177.26 1gqk n ASP 38 N -3.60 0.00 -4.74 1.64 5.68 -1.26 -4.78 116.55 109.48 1gqk n ASP 38 Ca 0.07 -1.67 -0.31 0.00 -0.50 0.00 0.00 54.79 52.38 1gqk n ASP 38 Cb 0.55 -0.13 0.11 0.00 -1.14 0.00 0.00 41.12 40.51 1gqk n ASP 38 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1gqk s SER 39 N -0.67 4.09 0.29 -1.12 1.04 -1.26 -4.74 113.70 111.33 1gqk s SER 39 Ca 0.00 1.85 0.04 0.00 0.48 0.00 0.00 55.95 58.33 1gqk s SER 39 Cb 0.00 -2.50 0.68 0.00 0.10 0.00 0.00 66.02 64.30 1gqk s SER 39 CO 0.00 -2.31 1.79 -0.65 0.98 0.00 0.00 173.24 173.05 1gqk h PRO 40 N -1.32 0.78 -0.20 4.02 0.11 -1.98 0.18 132.00 133.58 1gqk h PRO 40 Ca -0.44 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1gqk h PRO 40 Cb 1.24 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1gqk h PRO 40 CO 0.50 0.51 -0.34 1.15 -0.21 0.00 0.00 178.00 179.62 1gqk h THR 41 N 0.80 1.33 -0.62 -1.15 2.02 -1.92 -1.15 112.91 112.22 1gqk h THR 41 Ca 0.55 -1.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.15 1gqk h THR 41 Cb 0.79 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 69.01 1gqk h THR 41 CO -0.36 0.48 0.29 0.40 0.37 0.00 0.00 175.52 176.70 1gqk h ILE 42 N 0.25 1.22 -0.74 3.11 1.08 -1.74 -1.08 117.51 119.61 1gqk h ILE 42 Ca 0.01 -0.63 -0.00 0.00 -0.39 0.00 0.00 64.86 63.85 1gqk h ILE 42 Cb 0.92 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 35.13 1gqk h ILE 42 CO 0.08 0.26 0.45 0.78 -0.69 0.00 0.00 178.15 179.03 1gqk h ASN 43 N 0.85 0.87 -0.05 1.72 2.35 -0.58 0.22 115.58 120.97 1gqk h ASN 43 Ca 0.21 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.80 1gqk h ASN 43 Cb 0.14 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1gqk h ASN 43 CO -0.02 0.66 -0.36 0.00 -1.65 0.00 0.00 177.43 176.06 1gqk h ALA 44 N 1.49 0.92 -0.07 -0.83 0.00 -0.54 -0.04 119.26 120.19 1gqk h ALA 44 Ca 0.27 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1gqk h ALA 44 Cb -0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1gqk h ALA 44 CO -0.05 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.79 1gqk h ALA 45 N 1.15 0.10 -0.39 0.00 0.00 -0.52 -1.44 119.26 118.16 1gqk h ALA 45 Ca 0.05 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1gqk h ALA 45 Cb 0.84 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1gqk h ALA 45 CO 0.07 -0.15 0.07 0.00 0.00 0.00 0.00 179.25 179.24 1gqk h ALA 46 N 0.63 0.42 -0.94 0.00 0.00 -0.44 -0.60 119.26 118.33 1gqk h ALA 46 Ca 0.02 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1gqk h ALA 46 Cb 0.47 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1gqk h ALA 46 CO 0.01 -0.33 0.62 0.00 0.00 0.00 0.00 179.25 179.56 1gqk h ALA 47 N 1.30 1.33 -0.36 0.00 0.00 -0.95 0.25 119.26 120.83 1gqk h ALA 47 Ca 0.19 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1gqk h ALA 47 Cb 0.23 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1gqk h ALA 47 CO -0.25 0.62 -0.18 1.49 0.00 0.00 0.00 179.25 180.93 1gqk h GLU 48 N 1.27 0.76 -0.41 0.00 4.57 -0.56 -2.07 114.58 118.13 1gqk h GLU 48 Ca 0.35 -0.33 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 1gqk h GLU 48 Cb -0.14 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1gqk h GLU 48 CO -0.08 0.95 -0.23 -0.07 -1.18 0.00 0.00 179.01 178.40 1gqk h LEU 49 N 0.55 0.87 0.12 1.64 3.38 -0.78 0.19 115.31 121.27 1gqk h LEU 49 Ca 0.08 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1gqk h LEU 49 Cb 0.72 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1gqk h LEU 49 CO 0.05 1.06 -0.10 1.56 0.09 0.00 0.00 178.44 181.11 1gqk h GLN 50 N 0.73 -0.22 -0.30 1.13 4.20 -0.34 0.26 115.11 120.57 1gqk h GLN 50 Ca 0.10 0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.67 1gqk h GLN 50 Cb 0.77 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1gqk h GLN 50 CO 0.06 -0.15 -0.44 0.07 -0.67 0.00 0.00 178.83 177.70 1gqk h ARG 51 N -0.23 0.75 0.34 1.46 0.11 -1.28 -2.33 114.38 113.20 1gqk h ARG 51 Ca -0.00 -0.41 -0.02 0.00 0.10 0.00 0.00 59.98 59.65 1gqk h ARG 51 Cb 0.21 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.32 1gqk h ARG 51 CO -0.01 1.04 -0.16 0.78 0.10 0.00 0.00 179.97 181.72 1gqk h GLY 52 N 0.90 -0.47 1.27 0.08 0.00 -0.45 -1.89 103.07 102.51 1gqk h GLY 52 Ca 0.04 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1gqk h GLY 52 CO 0.09 -0.17 0.34 1.41 0.00 0.00 0.00 176.54 178.21 1gqk h LEU 53 N -0.84 0.86 -0.63 3.11 3.38 -0.58 -0.49 115.31 120.12 1gqk h LEU 53 Ca -0.05 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1gqk h LEU 53 Cb 0.53 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1gqk h LEU 53 CO 0.08 0.72 -0.01 0.28 0.09 0.00 0.00 178.44 179.60 1gqk h SER 54 N 0.95 1.04 -0.03 -0.43 0.02 -1.44 0.42 113.55 114.08 1gqk h SER 54 Ca 0.24 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 1gqk h SER 54 Cb 0.08 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.34 1gqk h SER 54 CO -0.03 1.09 -0.10 1.23 -1.14 0.00 0.00 176.83 177.88 1gqk h GLY 55 N 0.99 0.14 1.74 -3.77 0.00 -1.07 -1.98 103.07 99.12 1gqk h GLY 55 Ca 0.17 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1gqk h GLY 55 CO 0.03 0.16 -0.50 1.41 0.00 0.00 0.00 176.54 177.65 1gqk h LEU 56 N -0.44 0.30 -1.51 3.11 3.38 -1.07 -2.18 115.31 116.90 1gqk h LEU 56 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1gqk h LEU 56 Cb 0.73 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1gqk h LEU 56 CO 0.02 0.75 -0.11 0.18 0.09 0.00 0.00 178.44 179.37 1gqk n LEU 57 N -3.96 2.46 -3.94 1.67 4.32 0.13 -1.86 117.00 115.82 1gqk n LEU 57 Ca -0.02 -0.83 -0.31 0.00 -0.02 0.00 0.00 56.01 54.83 1gqk n LEU 57 Cb 0.55 -0.01 0.02 0.00 -1.62 0.00 0.00 43.42 42.36 1gqk n LEU 57 CO 0.43 0.42 0.10 -3.20 -1.22 0.00 0.00 177.39 173.92 1gqk n ASN 58 N 0.78 -4.68 -3.58 -1.43 5.15 -0.77 -4.94 115.26 105.79 1gqk n ASN 58 Ca 0.14 -0.80 -0.16 0.00 -0.60 0.00 0.00 54.58 53.16 1gqk n ASN 58 Cb 0.52 -3.80 -0.06 0.00 -0.53 0.00 0.00 39.78 35.91 1gqk n ASN 58 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1gqk s LYS 59 N -6.64 0.98 -0.29 1.20 -2.85 -1.05 -5.06 119.74 106.03 1gqk s LYS 59 Ca 0.67 0.04 -0.29 0.00 -1.00 0.00 0.00 55.97 55.39 1gqk s LYS 59 Cb -0.34 0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 35.87 1gqk s LYS 59 CO 0.84 -0.32 1.69 -1.25 0.10 0.00 0.00 175.35 176.41 1gqk s PRO 60 N -1.57 3.57 -0.23 1.78 0.04 -1.26 -4.15 135.00 133.18 1gqk s PRO 60 Ca -0.10 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.41 1gqk s PRO 60 Cb -0.01 -4.11 0.01 0.00 0.04 0.00 0.00 34.50 30.42 1gqk s PRO 60 CO 0.06 -1.58 -0.06 0.42 0.04 0.00 0.00 177.00 175.88 1gqk s ILE 61 N 5.99 3.10 -0.08 0.56 -1.09 -1.26 -5.03 121.20 123.39 1gqk s ILE 61 Ca 0.75 -0.71 0.04 0.00 -2.23 0.00 0.00 60.65 58.49 1gqk s ILE 61 Cb -0.23 -2.46 -0.01 0.00 -1.58 0.00 0.00 42.46 38.18 1gqk s ILE 61 CO 0.32 0.35 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.48 1gqk s VAL 62 N 1.41 2.41 0.12 2.92 1.01 -1.26 -4.66 120.40 122.35 1gqk s VAL 62 Ca 0.04 -0.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.79 1gqk s VAL 62 Cb -0.15 -1.93 -0.08 0.00 0.00 0.00 0.00 36.38 34.22 1gqk s VAL 62 CO -0.04 0.56 1.45 0.00 0.00 0.00 0.00 175.10 177.07 1gqk s ALA 63 N -0.00 3.65 0.04 5.51 0.00 -1.26 -4.25 121.76 125.44 1gqk s ALA 63 Ca -0.07 1.18 -0.01 0.00 0.00 0.00 0.00 51.96 53.06 1gqk s ALA 63 Cb -0.15 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 1gqk s ALA 63 CO 0.05 -0.70 -0.02 1.03 0.00 0.00 0.00 175.76 176.13 1gqk s ARG 64 N 1.25 0.50 -0.53 0.00 0.52 -0.62 -4.94 118.95 115.12 1gqk s ARG 64 Ca 0.66 -0.95 -0.01 0.00 -0.52 0.00 0.00 55.73 54.92 1gqk s ARG 64 Cb -0.39 0.17 0.14 0.00 0.52 0.00 0.00 34.95 35.40 1gqk s ARG 64 CO 0.30 -0.09 0.32 0.34 0.02 0.00 0.00 175.30 176.19 1gqk s ASP 65 N -2.30 5.04 0.28 0.23 2.15 -1.26 -1.14 116.67 119.66 1gqk s ASP 65 Ca -0.03 -2.63 -0.03 0.00 0.43 0.00 0.00 52.55 50.29 1gqk s ASP 65 Cb 0.00 -1.79 -0.02 0.00 -0.30 0.00 0.00 42.92 40.82 1gqk s ASP 65 CO -0.06 -0.39 0.35 -1.83 -0.17 0.00 0.00 175.17 173.07 1gqk s GLU 66 N 0.26 1.59 0.18 4.34 -1.05 -1.26 -5.06 118.70 117.70 1gqk s GLU 66 Ca 0.14 -1.63 -0.33 0.00 -0.15 0.00 0.00 54.97 53.00 1gqk s GLU 66 Cb -0.22 0.38 -0.13 0.00 -0.44 0.00 0.00 34.13 33.72 1gqk s GLU 66 CO -0.03 -0.62 1.61 1.17 0.95 0.00 0.00 175.26 178.34 1gqk n LYS 67 N -0.44 2.32 -1.65 -4.83 4.81 -1.26 -4.83 118.16 112.28 1gqk n LYS 67 Ca 0.01 0.84 -0.47 0.00 -0.87 0.00 0.00 58.31 57.82 1gqk n LYS 67 Cb 0.63 -2.62 -0.05 0.00 0.02 0.00 0.00 35.03 33.01 1gqk n LYS 67 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1gqk n LEU 68 N 3.50 2.75 -4.76 3.14 7.94 -1.26 -4.99 117.00 123.33 1gqk n LEU 68 Ca 0.16 1.09 -0.29 0.00 -1.11 0.00 0.00 56.01 55.86 1gqk n LEU 68 Cb 0.30 -1.37 -0.07 0.00 0.53 0.00 0.00 43.42 42.82 1gqk n LEU 68 CO 0.63 -0.47 -0.27 -0.54 -1.11 0.00 0.00 177.39 175.64 1gqk s LYS 69 N 0.87 2.80 0.33 1.96 1.02 -1.26 -5.05 119.74 120.41 1gqk s LYS 69 Ca 0.80 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 55.72 1gqk s LYS 69 Cb -0.75 -2.65 -0.12 0.00 -0.52 0.00 0.00 37.83 33.80 1gqk s LYS 69 CO 0.40 0.53 1.48 -3.47 -0.92 0.00 0.00 175.35 173.38 1gqk n ASP 70 N 0.23 3.54 -2.80 2.83 2.03 -1.26 -3.64 116.55 117.49 1gqk n ASP 70 Ca -0.09 1.19 -0.11 0.00 0.52 0.00 0.00 54.79 56.30 1gqk n ASP 70 Cb 0.53 -1.57 0.05 0.00 -0.72 0.00 0.00 41.12 39.41 1gqk n ASP 70 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1gqk n TYR 71 N 1.08 -1.82 -4.24 -0.67 4.01 -0.22 -4.76 117.16 110.55 1gqk n TYR 71 Ca 0.05 0.64 -0.28 0.00 -0.16 0.00 0.00 57.90 58.15 1gqk n TYR 71 Cb 0.37 -3.76 -0.09 0.00 -0.31 0.00 0.00 39.34 35.55 1gqk n TYR 71 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1gqk s SER 72 N -3.35 4.46 -0.26 7.72 0.01 -1.05 0.12 113.70 121.34 1gqk s SER 72 Ca 0.31 -0.45 -0.13 0.00 1.31 0.00 0.00 55.95 56.99 1gqk s SER 72 Cb -0.04 -0.85 -0.04 0.00 0.21 0.00 0.00 66.02 65.29 1gqk s SER 72 CO 0.55 0.13 0.30 -0.22 0.41 0.00 0.00 173.24 174.41 1gqk s LEU 73 N -2.60 4.06 -0.18 2.44 2.96 0.14 -1.10 118.68 124.40 1gqk s LEU 73 Ca 0.24 0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 54.35 1gqk s LEU 73 Cb -0.10 -2.31 0.00 0.00 0.50 0.00 0.00 46.19 44.29 1gqk s LEU 73 CO 0.16 -0.10 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.26 1gqk s VAL 74 N 1.76 2.69 0.14 1.68 1.01 0.24 -0.65 120.40 127.26 1gqk s VAL 74 Ca 0.12 -0.74 0.11 0.00 0.00 0.00 0.00 61.98 61.47 1gqk s VAL 74 Cb -0.15 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1gqk s VAL 74 CO 0.09 0.50 -0.25 0.27 0.00 0.00 0.00 175.10 175.71 1gqk s ILE 75 N 1.12 2.36 -5.00 2.22 -4.36 -0.81 -1.51 121.20 115.21 1gqk s ILE 75 Ca 0.00 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 1gqk s ILE 75 Cb -0.14 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.50 1gqk s ILE 75 CO -0.04 0.06 0.00 0.61 0.24 0.00 0.00 174.94 175.81 1gqk n GLY 76 N 0.81 -0.77 3.75 6.27 0.00 -0.69 -4.35 105.19 110.21 1gqk n GLY 76 Ca -0.17 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.03 1gqk n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gqk s THR 77 N -1.92 3.45 0.51 2.61 -4.23 -1.26 -2.58 115.64 112.22 1gqk s THR 77 Ca 0.00 -1.63 0.19 0.00 -1.18 0.00 0.00 61.69 59.07 1gqk s THR 77 Cb 0.00 -3.06 0.33 0.00 1.34 0.00 0.00 72.50 71.11 1gqk s THR 77 CO 0.00 -0.25 2.06 -0.65 -0.54 0.00 0.00 174.62 175.24 1gqk h PRO 78 N 1.55 0.08 0.00 3.99 0.11 -1.80 0.53 132.00 136.46 1gqk h PRO 78 Ca -0.45 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 1gqk h PRO 78 Cb 1.25 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1gqk h PRO 78 CO 0.61 0.05 -0.57 -0.44 -0.21 0.00 0.00 178.00 177.45 1gqk h ASP 79 N 0.08 0.00 -0.01 -2.05 3.32 -1.91 -3.35 116.42 112.51 1gqk h ASP 79 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1gqk h ASP 79 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1gqk h ASP 79 CO -0.01 0.57 -0.07 -0.46 -1.72 0.00 0.00 179.24 177.54 1gqk n ASN 80 N -3.67 1.32 -3.49 6.45 0.23 -0.85 -4.91 115.26 110.35 1gqk n ASN 80 Ca -0.01 -1.16 -0.26 0.00 -0.53 0.00 0.00 54.58 52.62 1gqk n ASN 80 Cb 0.61 0.23 -0.13 0.00 -2.08 0.00 0.00 39.78 38.41 1gqk n ASN 80 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1gqk s SER 81 N -0.85 2.95 0.52 0.53 0.15 0.12 -3.57 113.70 113.55 1gqk s SER 81 Ca 0.07 -1.44 0.31 0.00 0.70 0.00 0.00 55.95 55.59 1gqk s SER 81 Cb 0.06 -0.16 1.44 0.00 -1.71 0.00 0.00 66.02 65.65 1gqk s SER 81 CO 0.13 -0.39 1.85 -0.65 1.20 0.00 0.00 173.24 175.39 1gqk h PRO 82 N 7.96 0.06 -0.53 5.44 0.11 -1.83 0.62 132.00 143.83 1gqk h PRO 82 Ca -0.11 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.92 1gqk h PRO 82 Cb 1.01 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1gqk h PRO 82 CO 0.36 0.04 0.05 -0.07 -0.21 0.00 0.00 178.00 178.18 1gqk h LEU 83 N 0.07 0.88 -0.41 2.35 3.38 -1.94 0.23 115.31 119.86 1gqk h LEU 83 Ca 0.49 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1gqk h LEU 83 Cb 1.82 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 1gqk h LEU 83 CO -0.05 0.94 0.03 0.40 0.09 0.00 0.00 178.44 179.86 1gqk h ILE 84 N 0.79 1.25 -0.82 1.22 1.08 -1.21 -3.07 117.51 116.75 1gqk h ILE 84 Ca 0.16 -0.95 0.02 0.00 -0.39 0.00 0.00 64.86 63.69 1gqk h ILE 84 Cb 0.46 1.06 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 1gqk h ILE 84 CO 0.02 0.33 0.54 0.00 -0.69 0.00 0.00 178.15 178.35 1gqk h ALA 85 N 0.91 1.44 0.00 1.87 0.00 -0.99 -2.55 119.26 119.95 1gqk h ALA 85 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gqk h ALA 85 Cb 0.43 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1gqk h ALA 85 CO 0.02 0.50 -0.01 0.66 0.00 0.00 0.00 179.25 180.42 1gqk h SER 86 N 1.08 0.00 0.58 0.00 4.64 -0.85 -0.93 113.55 118.06 1gqk h SER 86 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1gqk h SER 86 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1gqk h SER 86 CO -0.08 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.07 1gqk n LEU 87 N -3.15 0.00 -4.00 5.97 4.77 -0.96 -4.94 117.00 114.70 1gqk n LEU 87 Ca -0.02 0.34 -0.40 0.00 -0.03 0.00 0.00 56.01 55.90 1gqk n LEU 87 Cb 0.13 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1gqk n LEU 87 CO 0.22 -0.05 -0.18 -3.20 -1.33 0.00 0.00 177.39 172.86 1gqk n ASN 88 N -1.34 -3.60 0.16 -1.43 5.15 -0.36 -4.86 115.26 108.98 1gqk n ASN 88 Ca 0.11 -1.21 0.01 0.00 -0.60 0.00 0.00 54.58 52.89 1gqk n ASN 88 Cb 0.23 -2.19 0.33 0.00 -0.53 0.00 0.00 39.78 37.61 1gqk n ASN 88 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1gqk h LEU 89 N -2.31 0.06 0.00 1.20 3.38 -1.83 -3.47 115.31 112.33 1gqk h LEU 89 Ca -0.69 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1gqk h LEU 89 Cb 1.39 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1gqk h LEU 89 CO 0.54 0.43 0.00 0.61 0.09 0.00 0.00 178.44 180.11 1gqk n GLY 90 N -0.40 3.82 0.36 0.83 0.00 -1.26 -2.48 105.19 106.07 1gqk n GLY 90 Ca -0.02 0.08 0.18 0.00 0.00 0.00 0.00 46.02 46.27 1gqk n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gqk h GLU 91 N 0.00 0.00 -0.66 1.61 5.08 -1.99 -1.03 114.58 117.59 1gqk h GLU 91 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1gqk h GLU 91 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1gqk h GLU 91 CO 0.00 0.00 0.31 0.00 -1.00 0.00 0.00 179.01 178.32 1gqk h ARG 92 N 0.00 0.95 0.05 2.33 3.08 -1.88 -2.85 114.38 116.05 1gqk h ARG 92 Ca 0.20 -0.14 -0.24 0.00 0.07 0.00 0.00 59.98 59.87 1gqk h ARG 92 Cb 0.83 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 1gqk h ARG 92 CO -0.00 0.76 -1.04 -0.07 -1.07 0.00 0.00 179.97 178.55 1gqk h LEU 93 N 0.92 0.41 -0.68 3.04 3.38 -1.37 -3.35 115.31 117.65 1gqk h LEU 93 Ca 0.23 -0.37 0.12 0.00 0.09 0.00 0.00 57.88 57.95 1gqk h LEU 93 Cb 0.12 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 1gqk h LEU 93 CO -0.03 1.21 0.25 1.56 0.09 0.00 0.00 178.44 181.53 1gqk h GLN 94 N 0.14 0.40 0.00 1.13 4.20 -1.08 -1.84 115.11 118.06 1gqk h GLN 94 Ca -0.09 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1gqk h GLN 94 Cb 1.71 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.40 1gqk h GLN 94 CO 0.17 0.27 0.00 0.00 -0.67 0.00 0.00 178.83 178.60 1gqk n ALA 95 N -2.51 1.56 0.31 3.87 0.00 -1.10 -2.82 120.51 119.81 1gqk n ALA 95 Ca 0.11 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.79 1gqk n ALA 95 Cb 0.35 -1.37 0.34 0.00 0.00 0.00 0.00 19.45 18.76 1gqk n ALA 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1gqk h LEU 96 N 0.00 0.00 0.00 0.00 3.38 -1.50 -3.48 115.31 113.72 1gqk h LEU 96 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gqk h LEU 96 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1gqk h LEU 96 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1gqk n GLY 97 N 0.84 1.43 0.07 0.83 0.00 -1.13 -1.20 105.19 106.02 1gqk n GLY 97 Ca 0.03 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.62 1gqk n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqk n ALA 98 N 5.86 2.76 -0.27 4.61 0.00 -1.26 -4.21 120.51 128.00 1gqk n ALA 98 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1gqk n ALA 98 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1gqk n ALA 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gqk n GLU 99 N -2.08 1.19 -1.89 0.00 1.02 -1.25 -4.45 120.64 113.19 1gqk n GLU 99 Ca 0.04 -0.17 -0.29 0.00 -0.02 0.00 0.00 57.16 56.72 1gqk n GLU 99 Cb 0.42 -0.58 0.13 0.00 -0.02 0.00 0.00 31.44 31.40 1gqk n GLU 99 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1gqk s GLY 100 N -0.22 1.67 0.18 0.62 0.00 -0.34 -4.30 107.32 104.93 1gqk s GLY 100 Ca 0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 44.72 43.65 1gqk s GLY 100 CO 0.00 -0.26 0.54 -2.52 0.00 0.00 0.00 173.10 170.86 1gqk s TYR 101 N -3.69 -0.25 -0.07 1.90 -0.85 -0.60 -4.37 117.35 109.41 1gqk s TYR 101 Ca 0.67 -0.07 0.04 0.00 -0.52 0.00 0.00 57.07 57.19 1gqk s TYR 101 Cb -0.08 0.44 0.00 0.00 0.38 0.00 0.00 41.96 42.70 1gqk s TYR 101 CO 0.51 -0.89 -0.19 -1.17 -1.52 0.00 0.00 175.55 172.28 1gqk s LEU 102 N -2.83 1.92 -0.16 -3.49 2.96 0.63 -1.83 118.68 115.88 1gqk s LEU 102 Ca 0.06 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1gqk s LEU 102 Cb -0.01 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 1gqk s LEU 102 CO -0.06 0.13 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.22 1gqk s LEU 103 N 0.33 2.66 -0.20 -0.68 1.43 0.77 -1.05 118.68 121.93 1gqk s LEU 103 Ca -0.13 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 1gqk s LEU 103 Cb -0.16 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.51 1gqk s LEU 103 CO 0.06 0.09 0.50 -0.70 0.23 0.00 0.00 176.35 176.52 1gqk s GLU 104 N 0.81 0.50 -0.18 1.70 2.12 -0.74 -0.78 118.70 122.13 1gqk s GLU 104 Ca -0.04 0.92 -0.29 0.00 0.36 0.00 0.00 54.97 55.92 1gqk s GLU 104 Cb -0.15 0.04 -0.00 0.00 0.26 0.00 0.00 34.13 34.27 1gqk s GLU 104 CO 0.01 -0.15 0.99 -1.14 -0.54 0.00 0.00 175.26 174.43 1gqk s GLN 105 N 1.43 4.32 0.00 4.30 0.74 0.22 -0.49 119.66 130.18 1gqk s GLN 105 Ca -0.09 1.31 0.00 0.00 0.05 0.00 0.00 55.36 56.63 1gqk s GLN 105 Cb -0.07 -3.60 0.00 0.00 1.10 0.00 0.00 33.01 30.44 1gqk s GLN 105 CO -0.14 -0.47 0.00 -2.37 -0.55 0.00 0.00 175.29 171.76 1gqk n THR 106 N 4.96 0.00 -4.40 -0.34 5.66 0.18 -4.80 114.28 115.54 1gqk n THR 106 Ca 0.10 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.90 1gqk n THR 106 Cb 0.47 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.11 1gqk n THR 106 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1gqk s ARG 107 N -0.03 0.88 -0.10 1.09 1.81 -1.26 -1.43 118.95 119.91 1gqk s ARG 107 Ca 0.00 -0.56 -0.01 0.00 -1.72 0.00 0.00 55.73 53.45 1gqk s ARG 107 Cb 0.00 -0.85 0.03 0.00 -0.45 0.00 0.00 34.95 33.67 1gqk s ARG 107 CO 0.00 0.22 -0.05 0.42 -0.68 0.00 0.00 175.30 175.21 1gqk s ILE 108 N -0.56 0.79 -0.89 1.52 1.01 -0.71 -4.85 121.20 117.51 1gqk s ILE 108 Ca 0.02 -0.15 -0.22 0.00 0.00 0.00 0.00 60.65 60.30 1gqk s ILE 108 Cb -0.06 -0.85 0.03 0.00 0.01 0.00 0.00 42.46 41.59 1gqk s ILE 108 CO 0.00 0.33 0.42 -0.46 0.00 0.00 0.00 174.94 175.23 1gqk n ASN 109 N 4.96 -2.46 0.00 3.58 0.23 -1.26 -1.11 115.26 119.20 1gqk n ASN 109 Ca -0.11 -0.93 0.00 0.00 -0.53 0.00 0.00 54.58 53.01 1gqk n ASN 109 Cb 0.50 -1.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.08 1gqk n ASN 109 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1gqk n LYS 110 N -3.85 0.00 -2.83 -3.83 5.02 -1.26 -4.99 118.16 106.43 1gqk n LYS 110 Ca -0.10 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.79 1gqk n LYS 110 Cb 0.41 -2.43 -0.05 0.00 -0.02 0.00 0.00 35.03 32.93 1gqk n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1gqk s ARG 111 N -0.03 4.68 -0.02 1.97 3.00 -0.27 -5.02 118.95 123.26 1gqk s ARG 111 Ca 0.00 1.34 -0.30 0.00 0.00 0.00 0.00 55.73 56.76 1gqk s ARG 111 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 34.95 31.58 1gqk s ARG 111 CO 0.00 0.36 1.20 -1.01 0.00 0.00 0.00 175.30 175.85 1gqk s HIS 112 N -0.48 3.26 0.05 -0.53 3.76 -1.26 -1.74 115.29 118.35 1gqk s HIS 112 Ca 0.42 1.24 -0.01 0.00 -0.15 0.00 0.00 55.06 56.57 1gqk s HIS 112 Cb -0.23 -3.42 -0.04 0.00 1.11 0.00 0.00 32.58 30.00 1gqk s HIS 112 CO 0.28 -1.28 -0.03 0.14 -0.85 0.00 0.00 174.74 173.00 1gqk s VAL 113 N 1.88 0.25 -0.12 -0.90 -7.23 -0.52 -1.05 120.40 112.71 1gqk s VAL 113 Ca 0.57 -1.64 0.03 0.00 -1.81 0.00 0.00 61.98 59.12 1gqk s VAL 113 Cb -0.26 -1.29 -0.00 0.00 0.56 0.00 0.00 36.38 35.40 1gqk s VAL 113 CO 0.24 -0.88 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.25 1gqk s VAL 114 N -3.39 2.31 0.05 1.32 1.01 -0.26 -0.65 120.40 120.78 1gqk s VAL 114 Ca 0.03 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1gqk s VAL 114 Cb 0.04 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1gqk s VAL 114 CO -0.08 0.55 0.03 0.27 0.00 0.00 0.00 175.10 175.87 1gqk s ILE 115 N 0.50 4.30 -0.33 2.22 -4.36 0.36 -0.59 121.20 123.29 1gqk s ILE 115 Ca -0.13 -0.74 0.03 0.00 -0.26 0.00 0.00 60.65 59.55 1gqk s ILE 115 Cb -0.17 -3.01 0.10 0.00 1.25 0.00 0.00 42.46 40.63 1gqk s ILE 115 CO 0.05 0.22 0.04 -0.69 0.24 0.00 0.00 174.94 174.81 1gqk s VAL 116 N -1.25 2.35 0.05 8.37 1.01 -0.57 -1.79 120.40 128.58 1gqk s VAL 116 Ca 0.25 -2.23 0.09 0.00 0.00 0.00 0.00 61.98 60.09 1gqk s VAL 116 Cb -0.12 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1gqk s VAL 116 CO 0.17 -0.53 -0.24 0.00 0.00 0.00 0.00 175.10 174.49 1gqk s ALA 117 N 0.95 2.37 0.30 5.51 0.00 -0.21 -1.70 121.76 128.97 1gqk s ALA 117 Ca 0.08 -1.27 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 1gqk s ALA 117 Cb -0.19 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1gqk s ALA 117 CO -0.07 0.55 0.64 0.00 0.00 0.00 0.00 175.76 176.88 1gqk s ALA 118 N -0.86 -0.64 0.04 0.00 0.00 -1.07 -0.27 121.76 118.97 1gqk s ALA 118 Ca 0.13 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.44 1gqk s ALA 118 Cb -0.10 0.90 -0.24 0.00 0.00 0.00 0.00 23.12 23.68 1gqk s ALA 118 CO 0.03 -0.95 1.00 -0.91 0.00 0.00 0.00 175.76 174.93 1gqk h ASN 119 N 2.08 0.15 -1.76 0.00 2.35 -1.77 -3.37 115.58 113.26 1gqk h ASN 119 Ca -0.25 -0.20 -0.59 0.00 -0.55 0.00 0.00 56.30 54.71 1gqk h ASN 119 Cb 1.25 -0.05 -0.11 0.00 0.05 0.00 0.00 38.32 39.46 1gqk h ASN 119 CO 0.32 1.16 -0.58 -0.94 -1.65 0.00 0.00 177.43 175.74 1gqk s SER 120 N -6.68 4.16 0.21 5.81 1.04 -1.26 -4.87 113.70 112.11 1gqk s SER 120 Ca -0.04 -1.12 -0.05 0.00 0.48 0.00 0.00 55.95 55.22 1gqk s SER 120 Cb 0.08 -0.47 0.17 0.00 0.10 0.00 0.00 66.02 65.90 1gqk s SER 120 CO 0.84 -0.38 1.62 0.44 0.98 0.00 0.00 173.24 176.74 1gqk h ASP 121 N 1.69 0.81 -0.19 7.02 3.32 -1.92 -2.39 116.42 124.76 1gqk h ASP 121 Ca -0.43 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.26 1gqk h ASP 121 Cb 1.25 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1gqk h ASP 121 CO 0.71 1.00 -0.08 1.62 -1.72 0.00 0.00 179.24 180.77 1gqk h VAL 122 N 0.69 1.23 -0.81 -1.35 3.04 -1.93 -0.83 116.25 116.28 1gqk h VAL 122 Ca 0.10 -0.97 -0.03 0.00 -1.01 0.00 0.00 66.70 64.79 1gqk h VAL 122 Cb 0.73 1.07 -0.04 0.00 -2.01 0.00 0.00 31.29 31.04 1gqk h VAL 122 CO 0.06 0.32 0.39 1.23 -1.01 0.00 0.00 177.57 178.56 1gqk h GLY 123 N 0.91 1.26 1.01 3.17 0.00 -1.70 0.91 103.07 108.63 1gqk h GLY 123 Ca 0.10 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 1gqk h GLY 123 CO 0.02 0.59 0.13 -2.08 0.00 0.00 0.00 176.54 175.20 1gqk h VAL 124 N 1.15 1.25 -0.27 4.60 2.07 -0.84 -0.65 116.25 123.56 1gqk h VAL 124 Ca 0.28 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1gqk h VAL 124 Cb 0.12 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1gqk h VAL 124 CO -0.03 0.33 0.17 0.25 0.02 0.00 0.00 177.57 178.31 1gqk h LEU 125 N 0.81 0.29 -0.63 2.57 5.85 -0.52 0.30 115.31 123.98 1gqk h LEU 125 Ca 0.18 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1gqk h LEU 125 Cb 0.36 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1gqk h LEU 125 CO 0.00 0.21 0.15 1.88 -0.34 0.00 0.00 178.44 180.35 1gqk h TYR 126 N 0.35 1.06 -0.49 1.25 0.05 -0.67 -2.04 116.97 116.48 1gqk h TYR 126 Ca 0.10 -0.13 -0.04 0.00 0.05 0.00 0.00 58.73 58.71 1gqk h TYR 126 Cb -0.03 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.39 1gqk h TYR 126 CO -0.06 0.89 0.15 0.78 -1.05 0.00 0.00 178.16 178.86 1gqk h GLY 127 N 0.93 0.78 1.07 3.88 0.00 -0.96 -1.06 103.07 107.71 1gqk h GLY 127 Ca 0.20 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 47.01 1gqk h GLY 127 CO 0.00 0.39 -0.05 1.76 0.00 0.00 0.00 176.54 178.65 1gqk h SER 128 N 0.72 0.99 -0.66 0.19 0.02 -0.53 -0.73 113.55 113.55 1gqk h SER 128 Ca 0.17 -0.33 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 1gqk h SER 128 Cb 0.22 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1gqk h SER 128 CO -0.01 1.08 0.13 -0.26 -1.14 0.00 0.00 176.83 176.63 1gqk h PHE 129 N 0.88 1.15 -0.63 3.45 0.04 -0.94 -1.73 116.94 119.17 1gqk h PHE 129 Ca 0.15 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1gqk h PHE 129 Cb 0.60 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 1gqk h PHE 129 CO 0.04 0.96 0.25 1.25 -0.60 0.00 0.00 178.31 180.21 1gqk h HIS 130 N 1.03 0.95 -0.43 -0.55 2.76 -0.92 -0.27 115.15 117.72 1gqk h HIS 130 Ca 0.21 -0.07 0.05 0.00 -2.20 0.00 0.00 60.37 58.35 1gqk h HIS 130 Cb 0.41 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 1gqk h HIS 130 CO 0.03 0.75 0.17 1.25 -1.30 0.00 0.00 177.93 178.83 1gqk h LEU 131 N 0.87 0.20 -0.52 0.26 7.12 -0.93 -0.67 115.31 121.65 1gqk h LEU 131 Ca 0.21 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.26 1gqk h LEU 131 Cb 0.20 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.32 1gqk h LEU 131 CO -0.02 0.15 0.32 -0.07 -0.13 0.00 0.00 178.44 178.69 1gqk h LEU 132 N 0.35 0.61 -1.28 2.25 3.38 -1.09 -2.78 115.31 116.75 1gqk h LEU 132 Ca 0.19 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1gqk h LEU 132 Cb 0.16 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1gqk h LEU 132 CO -0.18 0.48 0.53 -0.09 0.09 0.00 0.00 178.44 179.27 1gqk h ARG 133 N 0.69 0.82 -0.58 1.13 2.43 -0.01 0.31 114.38 119.18 1gqk h ARG 133 Ca 0.19 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1gqk h ARG 133 Cb -0.03 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 1gqk h ARG 133 CO -0.04 0.54 0.31 -0.07 -1.51 0.00 0.00 179.97 179.20 1gqk h LEU 134 N 0.85 0.74 -0.31 3.80 3.38 -0.89 0.14 115.31 123.01 1gqk h LEU 134 Ca 0.36 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 1gqk h LEU 134 Cb 0.31 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1gqk h LEU 134 CO -0.14 0.64 -0.55 0.40 0.09 0.00 0.00 178.44 178.88 1gqk h ILE 135 N 0.79 1.27 -0.21 1.22 2.04 -1.11 0.53 117.51 122.04 1gqk h ILE 135 Ca 0.20 -1.73 -0.00 0.00 1.00 0.00 0.00 64.86 64.33 1gqk h ILE 135 Cb 0.07 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1gqk h ILE 135 CO -0.03 0.57 0.13 1.56 0.00 0.00 0.00 178.15 180.37 1gqk h GLN 136 N 0.66 0.29 -0.66 2.37 4.20 0.10 -1.51 115.11 120.57 1gqk h GLN 136 Ca 0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1gqk h GLN 136 Cb 1.16 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1gqk h GLN 136 CO 0.12 0.20 0.00 0.25 -0.67 0.00 0.00 178.83 178.74 1gqk n THR 137 N -4.49 0.87 -3.46 -0.54 -2.24 0.43 -4.48 114.28 100.37 1gqk n THR 137 Ca 0.00 -0.92 -0.21 0.00 -2.27 0.00 0.00 64.05 60.65 1gqk n THR 137 Cb 0.09 0.57 0.07 0.00 -2.10 0.00 0.00 70.33 68.96 1gqk n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gqk n GLN 138 N 1.57 -7.02 -3.31 -0.78 6.02 -0.57 -4.99 117.38 108.31 1gqk n GLN 138 Ca 0.23 0.73 -0.36 0.00 -0.01 0.00 0.00 57.00 57.60 1gqk n GLN 138 Cb 0.60 -5.49 -0.06 0.00 1.02 0.00 0.00 30.24 26.31 1gqk n GLN 138 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1gqk s HIS 139 N -3.28 3.63 0.36 1.08 3.76 0.18 -5.02 115.29 115.99 1gqk s HIS 139 Ca 0.52 1.13 -0.27 0.00 -0.15 0.00 0.00 55.06 56.29 1gqk s HIS 139 Cb -0.23 -2.42 -0.09 0.00 1.11 0.00 0.00 32.58 30.95 1gqk s HIS 139 CO 0.64 0.42 1.18 0.00 -0.85 0.00 0.00 174.74 176.13 1gqk s ALA 140 N -1.45 3.27 -0.15 -1.40 0.00 -1.26 -4.59 121.76 116.19 1gqk s ALA 140 Ca 0.38 1.01 0.22 0.00 0.00 0.00 0.00 51.96 53.57 1gqk s ALA 140 Cb -0.16 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.43 1gqk s ALA 140 CO 0.19 -0.47 0.80 1.28 0.00 0.00 0.00 175.76 177.57 1gqk n LEU 141 N 0.45 0.50 -4.71 0.00 4.32 -1.26 -4.76 117.00 111.53 1gqk n LEU 141 Ca 0.02 0.19 -0.42 0.00 -0.02 0.00 0.00 56.01 55.78 1gqk n LEU 141 Cb 0.45 -0.03 -0.03 0.00 -1.62 0.00 0.00 43.42 42.20 1gqk n LEU 141 CO 0.53 -0.09 1.38 1.21 -1.22 0.00 0.00 177.39 179.19 1gqk n GLU 142 N -2.52 2.76 -1.46 3.23 4.07 -1.26 -1.31 120.64 124.15 1gqk n GLU 142 Ca -0.02 1.00 -0.16 0.00 -0.06 0.00 0.00 57.16 57.91 1gqk n GLU 142 Cb 0.57 -2.85 -0.07 0.00 -0.06 0.00 0.00 31.44 29.04 1gqk n GLU 142 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1gqk n LYS 143 N 4.08 -1.17 -1.68 5.31 4.76 -1.26 -4.94 118.16 123.26 1gqk n LYS 143 Ca 0.16 1.06 -0.45 0.00 -2.87 0.00 0.00 58.31 56.21 1gqk n LYS 143 Cb 0.35 -5.26 -0.04 0.00 -1.84 0.00 0.00 35.03 28.24 1gqk n LYS 143 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1gqk n LEU 144 N -1.82 3.35 -3.19 -0.35 7.94 -0.43 -4.84 117.00 117.66 1gqk n LEU 144 Ca -0.16 1.09 0.01 0.00 -1.11 0.00 0.00 56.01 55.83 1gqk n LEU 144 Cb 0.54 -1.47 -0.01 0.00 0.53 0.00 0.00 43.42 43.01 1gqk n LEU 144 CO 0.24 -0.18 0.06 -0.55 -1.11 0.00 0.00 177.39 175.85 1gqk s SER 145 N 0.90 -1.17 -0.02 1.96 0.15 -1.25 -0.61 113.70 113.67 1gqk s SER 145 Ca 0.76 -0.13 -0.12 0.00 0.70 0.00 0.00 55.95 57.17 1gqk s SER 145 Cb -0.63 1.81 0.02 0.00 -1.71 0.00 0.00 66.02 65.51 1gqk s SER 145 CO 0.38 -0.29 0.25 -1.48 1.20 0.00 0.00 173.24 173.30 1gqk s LEU 146 N 2.57 1.11 0.11 3.45 0.05 0.04 -5.01 118.68 121.00 1gqk s LEU 146 Ca 0.11 0.03 0.06 0.00 0.05 0.00 0.00 54.13 54.37 1gqk s LEU 146 Cb -0.10 1.03 -0.04 0.00 -2.05 0.00 0.00 46.19 45.04 1gqk s LEU 146 CO -0.23 -0.39 -0.14 -0.94 -0.55 0.00 0.00 176.35 174.11 1gqk s SER 147 N -1.21 1.88 -0.16 1.48 1.04 -1.26 -0.16 113.70 115.30 1gqk s SER 147 Ca -0.13 -0.77 -0.16 0.00 0.48 0.00 0.00 55.95 55.37 1gqk s SER 147 Cb -0.06 -0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.05 1gqk s SER 147 CO 0.03 -0.14 0.46 -0.55 0.98 0.00 0.00 173.24 174.02 1gqk s SER 148 N -2.31 -0.47 0.03 7.02 0.15 -0.76 -5.01 113.70 112.34 1gqk s SER 148 Ca 0.06 0.89 0.03 0.00 0.70 0.00 0.00 55.95 57.64 1gqk s SER 148 Cb -0.06 0.91 -0.02 0.00 -1.71 0.00 0.00 66.02 65.14 1gqk s SER 148 CO 0.03 -0.18 -0.10 0.00 1.20 0.00 0.00 173.24 174.18 1gqk s ALA 149 N 0.14 0.82 0.45 5.45 0.00 -1.26 -1.56 121.76 125.81 1gqk s ALA 149 Ca -0.01 -0.70 -0.23 0.00 0.00 0.00 0.00 51.96 51.03 1gqk s ALA 149 Cb -0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.93 1gqk s ALA 149 CO 0.01 0.11 1.15 -1.25 0.00 0.00 0.00 175.76 175.78 1gqk s PRO 150 N -1.12 3.81 0.02 0.00 0.04 -1.26 -4.92 135.00 131.57 1gqk s PRO 150 Ca -0.02 1.73 0.24 0.00 0.04 0.00 0.00 61.00 62.99 1gqk s PRO 150 Cb -0.08 -2.42 0.39 0.00 0.04 0.00 0.00 34.50 32.44 1gqk s PRO 150 CO 0.01 -0.50 1.33 0.54 0.04 0.00 0.00 177.00 178.42 1gqk n ARG 151 N -0.44 0.06 -4.53 4.56 1.74 0.07 -4.89 116.66 113.24 1gqk n ARG 151 Ca 0.07 0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.93 1gqk n ARG 151 Cb 0.48 -1.53 -0.14 0.00 -1.02 0.00 0.00 32.46 30.25 1gqk n ARG 151 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gqk s LEU 152 N -3.23 2.15 -0.03 0.55 1.43 -1.26 -4.66 118.68 113.64 1gqk s LEU 152 Ca 0.10 -0.46 -0.22 0.00 -1.03 0.00 0.00 54.13 52.51 1gqk s LEU 152 Cb 0.17 -0.79 -0.24 0.00 0.03 0.00 0.00 46.19 45.36 1gqk s LEU 152 CO 0.72 0.11 1.05 -0.61 0.23 0.00 0.00 176.35 177.86 1gqk h GLN 153 N 5.02 0.29 -4.53 1.70 4.15 -1.88 -3.43 115.11 116.44 1gqk h GLN 153 Ca -0.40 -0.32 -0.71 0.00 0.77 0.00 0.00 58.65 58.00 1gqk h GLN 153 Cb 1.17 0.09 -0.29 0.00 0.21 0.00 0.00 27.48 28.66 1gqk h GLN 153 CO 0.44 1.03 -0.52 -1.01 -1.93 0.00 0.00 178.83 176.84 1gqk s HIS 154 N -3.12 3.35 -0.48 3.99 3.76 -0.39 -4.98 115.29 117.41 1gqk s HIS 154 Ca -0.14 -1.63 -0.00 0.00 -0.15 0.00 0.00 55.06 53.13 1gqk s HIS 154 Cb 0.02 -2.78 0.13 0.00 1.11 0.00 0.00 32.58 31.05 1gqk s HIS 154 CO 0.78 -0.83 0.25 1.03 -0.85 0.00 0.00 174.74 175.13 1gqk s ARG 155 N 1.37 2.06 0.24 1.40 0.52 -1.26 -1.38 118.95 121.90 1gqk s ARG 155 Ca 0.02 -2.19 0.11 0.00 -0.52 0.00 0.00 55.73 53.15 1gqk s ARG 155 Cb -0.22 -3.51 -0.05 0.00 0.52 0.00 0.00 34.95 31.70 1gqk s ARG 155 CO 0.01 -1.08 -0.15 0.54 0.02 0.00 0.00 175.30 174.64 1gqk s VAL 156 N 0.48 2.77 0.20 3.52 0.11 -0.62 -0.97 120.40 125.88 1gqk s VAL 156 Ca 0.13 -2.07 0.07 0.00 -2.93 0.00 0.00 61.98 57.18 1gqk s VAL 156 Cb -0.22 -2.41 -0.04 0.00 -1.53 0.00 0.00 36.38 32.18 1gqk s VAL 156 CO -0.04 -0.27 0.04 0.68 -3.33 0.00 0.00 175.10 172.18 1gqk s VAL 157 N -2.10 3.83 0.00 2.04 -7.23 -0.87 -2.01 120.40 114.07 1gqk s VAL 157 Ca 0.27 -1.49 0.08 0.00 -1.81 0.00 0.00 61.98 59.03 1gqk s VAL 157 Cb -0.07 -2.97 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 1gqk s VAL 157 CO 0.15 -0.19 -0.23 0.20 -0.31 0.00 0.00 175.10 174.71 1gqk s ASN 158 N -3.22 2.78 -0.16 4.85 0.01 0.29 -1.64 114.94 117.84 1gqk s ASN 158 Ca 0.29 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 1gqk s ASN 158 Cb -0.09 -0.29 0.03 0.00 0.41 0.00 0.00 41.25 41.32 1gqk s ASN 158 CO 0.20 0.26 -0.13 -1.00 -1.51 0.00 0.00 177.10 174.92 1gqk s HIS 159 N -0.64 2.24 -1.36 2.20 3.76 -0.22 -1.67 115.29 119.61 1gqk s HIS 159 Ca 0.09 -1.32 -0.06 0.00 -0.15 0.00 0.00 55.06 53.62 1gqk s HIS 159 Cb -0.09 -1.61 0.10 0.00 1.11 0.00 0.00 32.58 32.09 1gqk s HIS 159 CO 0.00 -0.69 2.44 0.91 -0.85 0.00 0.00 174.74 176.55 1gqk n TRP 160 N 4.75 2.58 -3.42 1.40 8.01 -1.26 -3.00 117.44 126.50 1gqk n TRP 160 Ca -0.16 -2.85 -0.37 0.00 -1.31 0.00 0.00 57.50 52.80 1gqk n TRP 160 Cb 0.49 -1.91 -0.06 0.00 -2.01 0.00 0.00 31.31 27.81 1gqk n TRP 160 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1gqk s ASP 161 N 0.59 6.57 0.45 -0.99 1.11 -1.26 -0.53 116.67 122.62 1gqk s ASP 161 Ca 0.56 0.68 -0.09 0.00 0.18 0.00 0.00 52.55 53.88 1gqk s ASP 161 Cb 0.18 -2.24 -0.05 0.00 1.07 0.00 0.00 42.92 41.88 1gqk s ASP 161 CO -0.09 0.05 0.80 0.20 1.18 0.00 0.00 175.17 177.31 1gqk s ASN 162 N 0.50 6.40 0.55 0.27 0.01 -0.44 -1.11 114.94 121.12 1gqk s ASN 162 Ca 0.22 1.08 0.33 0.00 -0.71 0.00 0.00 52.86 53.78 1gqk s ASN 162 Cb -0.14 -2.31 1.39 0.00 0.41 0.00 0.00 41.25 40.60 1gqk s ASN 162 CO 0.07 -0.51 2.00 -0.07 -1.51 0.00 0.00 177.10 177.09 1gqk h LEU 163 N 0.74 0.00 0.00 0.60 3.38 -1.98 0.44 115.31 118.49 1gqk h LEU 163 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1gqk h LEU 163 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1gqk h LEU 163 CO 0.63 0.03 0.00 -0.46 0.09 0.00 0.00 178.44 178.73 1gqk n ASN 164 N -3.15 0.00 0.00 -0.43 6.94 -1.26 -4.86 115.26 112.51 1gqk n ASN 164 Ca 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.55 1gqk n ASN 164 Cb 0.30 -0.27 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 1gqk n ASN 164 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1gqk n ARG 165 N -1.27 0.00 -3.01 -3.83 1.74 0.15 -5.00 116.66 105.44 1gqk n ARG 165 Ca 0.09 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.77 1gqk n ARG 165 Cb 0.15 -2.26 -0.05 0.00 -1.02 0.00 0.00 32.46 29.28 1gqk n ARG 165 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gqk s VAL 166 N -2.47 4.86 -0.19 1.55 1.01 -1.25 -0.02 120.40 123.88 1gqk s VAL 166 Ca 0.00 1.56 -0.15 0.00 0.00 0.00 0.00 61.98 63.39 1gqk s VAL 166 Cb 0.00 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1gqk s VAL 166 CO 0.00 0.32 0.35 -0.69 0.00 0.00 0.00 175.10 175.08 1gqk s VAL 167 N 0.26 5.24 -0.13 2.92 1.01 -1.26 -1.33 120.40 127.10 1gqk s VAL 167 Ca 0.38 0.62 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 1gqk s VAL 167 Cb -0.19 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1gqk s VAL 167 CO 0.21 0.29 1.18 -0.70 0.00 0.00 0.00 175.10 176.08 1gqk s GLU 168 N 1.08 4.29 -1.07 2.72 2.12 0.31 -2.63 118.70 125.54 1gqk s GLU 168 Ca 0.17 1.59 -0.01 0.00 0.36 0.00 0.00 54.97 57.09 1gqk s GLU 168 Cb -0.14 -3.66 -0.01 0.00 0.26 0.00 0.00 34.13 30.59 1gqk s GLU 168 CO 0.07 -0.57 0.89 0.54 -0.54 0.00 0.00 175.26 175.65 1gqk n ARG 169 N 5.95 -5.58 -3.97 4.30 5.12 -1.26 -4.63 116.66 116.59 1gqk n ARG 169 Ca 0.12 0.77 -0.31 0.00 -1.93 0.00 0.00 57.85 56.50 1gqk n ARG 169 Cb 0.46 -5.52 -0.15 0.00 -1.16 0.00 0.00 32.46 26.08 1gqk n ARG 169 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1gqk s GLY 170 N -4.14 1.37 -0.11 -0.13 0.00 -1.08 -4.84 107.32 98.40 1gqk s GLY 170 Ca 0.04 -1.46 0.14 0.00 0.00 0.00 0.00 44.72 43.45 1gqk s GLY 170 CO 0.66 0.87 1.23 -1.72 0.00 0.00 0.00 173.10 174.14 1gqk n TYR 171 N 4.62 0.38 -1.45 1.90 4.01 -1.26 -4.55 117.16 120.81 1gqk n TYR 171 Ca -0.12 -0.82 0.06 0.00 -0.16 0.00 0.00 57.90 56.86 1gqk n TYR 171 Cb 0.44 -0.18 0.10 0.00 -0.31 0.00 0.00 39.34 39.39 1gqk n TYR 171 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gqk n ALA 172 N -0.73 2.27 0.00 -0.72 0.00 -1.26 -4.49 120.51 115.58 1gqk n ALA 172 Ca 0.15 -2.15 0.00 0.00 0.00 0.00 0.00 53.44 51.44 1gqk n ALA 172 Cb 0.64 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1gqk n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gqk n GLY 173 N -0.90 -0.77 3.84 0.00 0.00 -1.26 -1.99 105.19 104.11 1gqk n GLY 173 Ca 0.11 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 1gqk n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gqk s LEU 174 N 0.00 2.98 0.28 0.99 1.43 -1.26 -4.52 118.68 118.59 1gqk s LEU 174 Ca 0.00 1.41 -0.29 0.00 -1.03 0.00 0.00 54.13 54.21 1gqk s LEU 174 Cb 0.00 -4.24 -0.13 0.00 0.03 0.00 0.00 46.19 41.84 1gqk s LEU 174 CO 0.00 -1.42 1.26 -0.24 0.23 0.00 0.00 176.35 176.18 1gqk n SER 175 N -3.09 2.35 0.27 2.29 2.88 0.97 -0.85 113.62 118.43 1gqk n SER 175 Ca 0.07 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.91 1gqk n SER 175 Cb 0.55 -1.40 0.75 0.00 -0.75 0.00 0.00 64.21 63.35 1gqk n SER 175 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1gqk h LEU 176 N 3.06 0.00 -8.61 2.46 3.38 -1.89 -3.42 115.31 110.28 1gqk h LEU 176 Ca -0.44 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.95 1gqk h LEU 176 Cb 1.30 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.96 1gqk h LEU 176 CO 0.67 0.10 0.81 0.26 0.09 0.00 0.00 178.44 180.37 1gqk s TRP 177 N -4.31 2.75 -1.26 1.13 0.23 -1.26 -4.95 118.94 111.26 1gqk s TRP 177 Ca -0.03 0.39 -0.13 0.00 -2.03 0.00 0.00 56.10 54.30 1gqk s TRP 177 Cb 0.14 -4.31 0.14 0.00 0.03 0.00 0.00 33.47 29.47 1gqk s TRP 177 CO 0.58 -1.38 1.66 -3.47 0.96 0.00 0.00 176.95 175.31 1gqk n ASP 178 N 7.87 5.04 -0.17 2.95 2.03 -1.26 -4.85 116.55 128.16 1gqk n ASP 178 Ca 0.08 -2.99 0.16 0.00 0.52 0.00 0.00 54.79 52.55 1gqk n ASP 178 Cb 0.49 -1.58 0.51 0.00 -0.72 0.00 0.00 41.12 39.81 1gqk n ASP 178 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1gqk h TRP 179 N 6.74 0.48 -0.17 -0.67 4.06 -1.92 -1.60 115.95 122.88 1gqk h TRP 179 Ca 0.38 0.01 0.01 0.00 2.06 0.00 0.00 58.89 61.35 1gqk h TRP 179 Cb 0.79 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.79 1gqk h TRP 179 CO 1.22 0.18 0.11 0.78 -3.56 0.00 0.00 178.44 177.17 1gqk h GLY 180 N 0.41 0.20 -0.82 1.49 0.00 -1.96 -2.88 103.07 99.50 1gqk h GLY 180 Ca 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1gqk h GLY 180 CO -0.12 0.07 -0.44 -1.14 0.00 0.00 0.00 176.54 174.91 1gqk n SER 181 N -4.51 1.78 -4.85 0.19 3.41 -0.65 -4.96 113.62 104.03 1gqk n SER 181 Ca -0.00 -1.39 -0.33 0.00 -0.26 0.00 0.00 58.87 56.89 1gqk n SER 181 Cb 0.11 0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 64.51 1gqk n SER 181 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gqk s LEU 182 N -2.30 4.09 0.00 1.04 1.43 -0.91 -0.32 118.68 121.70 1gqk s LEU 182 Ca 0.15 1.24 0.29 0.00 -1.03 0.00 0.00 54.13 54.79 1gqk s LEU 182 Cb 0.15 -4.01 1.25 0.00 0.03 0.00 0.00 46.19 43.62 1gqk s LEU 182 CO 0.51 -0.18 1.86 -0.81 0.23 0.00 0.00 176.35 177.96 1gqk n PRO 183 N -0.28 1.00 -0.20 1.29 -0.04 -1.26 -4.83 135.00 130.68 1gqk n PRO 183 Ca 0.03 -0.40 -0.05 0.00 -0.04 0.00 0.00 63.50 63.04 1gqk n PRO 183 Cb 0.53 -1.49 0.05 0.00 -0.04 0.00 0.00 33.50 32.55 1gqk n PRO 183 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1gqk h ASN 184 N 0.98 0.58 -3.41 3.54 4.21 -1.87 -3.40 115.58 116.21 1gqk h ASN 184 Ca 0.00 0.00 -0.70 0.00 1.21 0.00 0.00 56.30 56.81 1gqk h ASN 184 Cb 0.35 -0.12 -0.19 0.00 -1.12 0.00 0.00 38.32 37.23 1gqk h ASN 184 CO 0.00 0.41 -0.13 -0.47 -1.29 0.00 0.00 177.43 175.95 1gqk s TYR 185 N -6.13 3.14 -1.15 1.19 5.04 0.56 -4.98 117.35 115.01 1gqk s TYR 185 Ca -0.13 -0.51 -0.15 0.00 -2.44 0.00 0.00 57.07 53.84 1gqk s TYR 185 Cb 0.14 -3.17 0.17 0.00 0.35 0.00 0.00 41.96 39.44 1gqk s TYR 185 CO 0.75 -0.83 1.36 -0.51 -1.34 0.00 0.00 175.55 174.98 1gqk s LEU 186 N 2.24 5.08 0.33 6.97 1.43 -1.26 -4.70 118.68 128.78 1gqk s LEU 186 Ca 0.12 -2.82 -0.29 0.00 -1.03 0.00 0.00 54.13 50.11 1gqk s LEU 186 Cb -0.19 -2.40 -0.11 0.00 0.03 0.00 0.00 46.19 43.52 1gqk s LEU 186 CO 0.12 -0.80 1.53 0.00 0.23 0.00 0.00 176.35 177.43 1gqk n ALA 187 N 5.76 2.36 -0.23 4.21 0.00 -1.26 -4.89 120.51 126.45 1gqk n ALA 187 Ca 0.34 0.36 0.16 0.00 0.00 0.00 0.00 53.44 54.30 1gqk n ALA 187 Cb 0.44 -2.43 0.47 0.00 0.00 0.00 0.00 19.45 17.93 1gqk n ALA 187 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1gqk h PRO 188 N 3.81 0.48 -0.31 0.00 0.11 -2.01 -2.06 132.00 132.02 1gqk h PRO 188 Ca -0.49 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.65 1gqk h PRO 188 Cb 1.24 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1gqk h PRO 188 CO 0.71 0.32 0.21 -0.09 -0.21 0.00 0.00 178.00 178.94 1gqk h ARG 189 N 0.49 0.20 -0.91 1.05 2.43 -1.99 -0.00 114.38 115.65 1gqk h ARG 189 Ca 0.44 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.60 1gqk h ARG 189 Cb 0.97 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 1gqk h ARG 189 CO -0.18 0.13 0.54 1.88 -1.51 0.00 0.00 179.97 180.84 1gqk h TYR 190 N 0.20 1.20 -0.46 2.20 0.05 -1.74 0.71 116.97 119.14 1gqk h TYR 190 Ca 0.14 -0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.77 1gqk h TYR 190 Cb 0.28 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 1gqk h TYR 190 CO -0.00 0.80 -0.26 1.15 -1.05 0.00 0.00 178.16 178.80 1gqk h THR 191 N 1.25 1.27 -0.81 -2.88 2.02 -1.16 -2.47 112.91 110.14 1gqk h THR 191 Ca 0.33 -1.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.03 1gqk h THR 191 Cb -0.05 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1gqk h THR 191 CO -0.06 0.49 0.34 0.44 0.37 0.00 0.00 175.52 177.10 1gqk h ASP 192 N 0.84 1.11 -0.59 4.18 3.32 -0.77 -0.21 116.42 124.29 1gqk h ASP 192 Ca 0.10 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.02 1gqk h ASP 192 Cb 0.85 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 40.07 1gqk h ASP 192 CO 0.08 0.97 0.33 0.22 -1.72 0.00 0.00 179.24 179.12 1gqk h TYR 193 N 1.18 0.62 -0.80 4.55 3.20 -0.80 0.15 116.97 125.07 1gqk h TYR 193 Ca 0.27 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.12 1gqk h TYR 193 Cb 0.19 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 1gqk h TYR 193 CO 0.02 0.32 0.32 0.00 -1.64 0.00 0.00 178.16 177.18 1gqk h ALA 194 N 1.29 1.05 -0.22 1.82 0.00 -0.97 -2.38 119.26 119.85 1gqk h ALA 194 Ca 0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1gqk h ALA 194 Cb 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1gqk h ALA 194 CO -0.14 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.81 1gqk h ARG 195 N 1.16 0.37 -0.22 0.00 3.08 -0.29 -1.08 114.38 117.40 1gqk h ARG 195 Ca 0.27 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.27 1gqk h ARG 195 Cb 0.22 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 1gqk h ARG 195 CO -0.02 0.51 -0.14 0.82 -1.07 0.00 0.00 179.97 180.06 1gqk h ILE 196 N 0.17 0.59 -0.31 2.04 2.04 -0.84 -0.85 117.51 120.34 1gqk h ILE 196 Ca 0.07 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.76 1gqk h ILE 196 Cb 0.32 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1gqk h ILE 196 CO 0.00 0.00 -0.46 0.78 0.00 0.00 0.00 178.15 178.48 1gqk h ASN 197 N -0.13 0.94 0.29 1.72 2.35 -1.36 -3.05 115.58 116.34 1gqk h ASN 197 Ca 0.12 -0.51 -0.05 0.00 -0.55 0.00 0.00 56.30 55.32 1gqk h ASN 197 Cb 0.32 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1gqk h ASN 197 CO -0.30 1.27 -0.24 0.00 -1.65 0.00 0.00 177.43 176.51 1gqk h ALA 198 N 0.70 1.51 0.00 -0.83 0.00 -1.09 -1.16 119.26 118.39 1gqk h ALA 198 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1gqk h ALA 198 Cb 1.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1gqk h ALA 198 CO 0.11 0.30 0.00 0.66 0.00 0.00 0.00 179.25 180.31 1gqk h SER 199 N 0.00 0.00 -0.01 0.00 4.64 -1.03 -1.06 113.55 116.08 1gqk h SER 199 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gqk h SER 199 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1gqk h SER 199 CO 0.03 0.00 -0.26 0.18 -0.87 0.00 0.00 176.83 175.92 1gqk n LEU 200 N -2.75 1.68 0.00 5.97 4.77 -0.64 -4.82 117.00 121.21 1gqk n LEU 200 Ca -0.01 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1gqk n LEU 200 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1gqk n LEU 200 CO 0.18 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1gqk n GLY 201 N 1.06 0.60 3.70 -0.72 0.00 -0.40 -4.49 105.19 104.94 1gqk n GLY 201 Ca 0.07 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1gqk n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqk s ILE 202 N -2.00 3.34 -0.11 -0.61 -1.09 -0.53 -4.84 121.20 115.35 1gqk s ILE 202 Ca 0.00 0.88 0.16 0.00 -2.23 0.00 0.00 60.65 59.46 1gqk s ILE 202 Cb 0.00 -3.56 0.25 0.00 -1.58 0.00 0.00 42.46 37.57 1gqk s ILE 202 CO 0.00 0.04 1.13 -0.46 -1.23 0.00 0.00 174.94 174.41 1gqk n ASN 203 N 4.65 2.24 -3.55 3.58 0.23 -0.14 -4.17 115.26 118.09 1gqk n ASN 203 Ca 0.13 -2.94 -0.15 0.00 -0.53 0.00 0.00 54.58 51.09 1gqk n ASN 203 Cb 0.42 -0.38 -0.06 0.00 -2.08 0.00 0.00 39.78 37.69 1gqk n ASN 203 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1gqk s GLY 204 N -2.62 -0.44 -0.05 4.83 0.00 -1.17 -1.68 107.32 106.18 1gqk s GLY 204 Ca 0.28 1.68 -0.03 0.00 0.00 0.00 0.00 44.72 46.64 1gqk s GLY 204 CO 0.03 1.06 0.12 -1.08 0.00 0.00 0.00 173.10 173.22 1gqk s THR 205 N -1.03 -0.03 -0.35 0.90 -1.32 -0.72 -2.04 115.64 111.05 1gqk s THR 205 Ca -0.06 0.12 -0.11 0.00 -1.21 0.00 0.00 61.69 60.43 1gqk s THR 205 Cb -0.01 -0.19 0.01 0.00 -1.51 0.00 0.00 72.50 70.80 1gqk s THR 205 CO 0.06 0.05 0.19 -0.69 -2.21 0.00 0.00 174.62 172.02 1gqk s VAL 206 N 0.76 4.63 -1.29 5.08 1.01 -0.65 -0.95 120.40 128.98 1gqk s VAL 206 Ca -0.06 -0.66 0.26 0.00 0.00 0.00 0.00 61.98 61.52 1gqk s VAL 206 Cb -0.08 -3.49 0.11 0.00 0.00 0.00 0.00 36.38 32.92 1gqk s VAL 206 CO -0.03 -0.11 1.48 2.30 0.00 0.00 0.00 175.10 178.73 1gqk n ILE 207 N 5.00 0.00 -4.17 2.22 -5.35 -1.17 -1.05 119.36 114.84 1gqk n ILE 207 Ca -0.13 -0.05 -0.17 0.00 -0.27 0.00 0.00 62.75 62.14 1gqk n ILE 207 Cb 0.47 0.30 -0.11 0.00 -1.74 0.00 0.00 39.64 38.56 1gqk n ILE 207 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1gqk s ASN 208 N -2.81 1.58 0.24 7.28 4.22 -1.20 -4.32 114.94 119.94 1gqk s ASN 208 Ca 0.16 -0.68 -0.30 0.00 -2.14 0.00 0.00 52.86 49.90 1gqk s ASN 208 Cb 0.18 -0.03 -0.14 0.00 1.28 0.00 0.00 41.25 42.54 1gqk s ASN 208 CO 0.63 -0.14 1.21 -3.20 -2.04 0.00 0.00 177.10 173.56 1gqk n ASN 209 N 1.03 1.92 0.17 3.54 2.85 -0.27 -4.29 115.26 120.20 1gqk n ASN 209 Ca -0.19 1.16 0.06 0.00 -0.11 0.00 0.00 54.58 55.50 1gqk n ASN 209 Cb 0.55 -1.33 0.55 0.00 1.24 0.00 0.00 39.78 40.79 1gqk n ASN 209 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1gqk h VAL 210 N 2.58 1.05 -1.06 3.44 -1.51 -1.91 -3.14 116.25 115.70 1gqk h VAL 210 Ca -0.43 -0.15 -0.65 0.00 -1.23 0.00 0.00 66.70 64.25 1gqk h VAL 210 Cb 1.32 0.88 -0.10 0.00 -2.13 0.00 0.00 31.29 31.26 1gqk h VAL 210 CO 0.68 0.06 1.82 0.20 -1.23 0.00 0.00 177.57 179.10 1gqk s ASN 211 N -6.94 6.69 0.20 4.19 0.01 -1.26 -4.36 114.94 113.47 1gqk s ASN 211 Ca -0.06 -2.00 -0.24 0.00 -0.71 0.00 0.00 52.86 49.85 1gqk s ASN 211 Cb 0.17 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 39.18 1gqk s ASN 211 CO 0.69 -1.31 0.78 0.00 -1.51 0.00 0.00 177.10 175.75 1gqk s ALA 212 N 4.43 3.42 -0.30 0.60 0.00 -1.19 -5.02 121.76 123.70 1gqk s ALA 212 Ca 0.49 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 1gqk s ALA 212 Cb 0.02 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1gqk s ALA 212 CO -0.01 0.29 0.25 0.34 0.00 0.00 0.00 175.76 176.63 1gqk s ASP 213 N -1.35 6.08 0.64 0.00 -1.08 -1.26 -4.57 116.67 115.13 1gqk s ASP 213 Ca 0.39 -0.06 0.40 0.00 -0.52 0.00 0.00 52.55 52.76 1gqk s ASP 213 Cb -0.21 -2.15 2.18 0.00 -1.46 0.00 0.00 42.92 41.29 1gqk s ASP 213 CO 0.24 -0.14 2.30 1.55 0.52 0.00 0.00 175.17 179.65 1gqk h PRO 214 N 8.37 0.00 -0.16 4.34 0.13 -1.94 -2.78 132.00 139.95 1gqk h PRO 214 Ca -0.33 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.85 1gqk h PRO 214 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1gqk h PRO 214 CO 0.60 0.01 0.16 0.00 -0.23 0.00 0.00 178.00 178.53 1gqk h ARG 215 N 0.00 0.00 0.00 0.86 3.08 -1.98 -2.08 114.38 114.26 1gqk h ARG 215 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1gqk h ARG 215 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1gqk h ARG 215 CO 0.00 0.00 -0.01 -0.39 -1.07 0.00 0.00 179.97 178.50 1gqk h VAL 216 N 0.00 0.13 -0.01 2.04 -1.51 -1.88 -1.48 116.25 113.54 1gqk h VAL 216 Ca 0.08 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.49 1gqk h VAL 216 Cb 0.39 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1gqk h VAL 216 CO -0.00 0.01 -0.20 0.18 -1.23 0.00 0.00 177.57 176.33 1gqk n LEU 217 N -3.26 1.19 -4.85 4.19 4.77 -0.78 -4.03 117.00 114.23 1gqk n LEU 217 Ca -0.03 -0.34 -0.32 0.00 -0.03 0.00 0.00 56.01 55.29 1gqk n LEU 217 Cb 0.10 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1gqk n LEU 217 CO 0.22 0.22 0.66 -0.94 -1.33 0.00 0.00 177.39 176.22 1gqk s SER 218 N -2.37 6.54 0.24 -1.43 1.04 -0.56 -4.85 113.70 112.31 1gqk s SER 218 Ca 0.27 1.50 -0.05 0.00 0.48 0.00 0.00 55.95 58.16 1gqk s SER 218 Cb 0.20 -2.48 0.45 0.00 0.10 0.00 0.00 66.02 64.29 1gqk s SER 218 CO 0.47 -0.62 1.71 -0.78 0.98 0.00 0.00 173.24 175.00 1gqk h ASP 219 N 0.73 0.14 -0.48 7.02 1.82 -1.91 0.47 116.42 124.21 1gqk h ASP 219 Ca -0.46 0.13 0.10 0.00 -0.39 0.00 0.00 57.03 56.40 1gqk h ASP 219 Cb 1.19 0.14 -0.09 0.00 0.68 0.00 0.00 39.33 41.25 1gqk h ASP 219 CO 0.62 0.03 -0.12 -0.61 -1.61 0.00 0.00 179.24 177.55 1gqk h GLN 220 N 0.34 0.00 0.00 0.28 4.15 -1.93 -2.05 115.11 115.91 1gqk h GLN 220 Ca 0.41 -0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.60 1gqk h GLN 220 Cb 0.67 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.32 1gqk h GLN 220 CO -0.46 0.00 -1.20 0.74 -1.93 0.00 0.00 178.83 175.99 1gqk h PHE 221 N 0.00 0.01 -0.53 3.99 0.04 -1.57 -3.29 116.94 115.61 1gqk h PHE 221 Ca 0.23 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.97 1gqk h PHE 221 Cb 0.35 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 1gqk h PHE 221 CO -0.41 1.01 0.24 -0.07 -0.60 0.00 0.00 178.31 178.48 1gqk h LEU 222 N 0.00 0.67 -1.03 1.54 3.38 -0.69 0.20 115.31 119.37 1gqk h LEU 222 Ca -0.09 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1gqk h LEU 222 Cb 1.84 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.39 1gqk h LEU 222 CO 0.12 0.58 0.17 1.56 0.09 0.00 0.00 178.44 180.96 1gqk h GLN 223 N 0.74 0.87 -0.12 1.13 4.20 -1.44 0.71 115.11 121.19 1gqk h GLN 223 Ca 0.18 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 1gqk h GLN 223 Cb 0.10 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1gqk h GLN 223 CO -0.02 0.75 -0.40 0.87 -0.67 0.00 0.00 178.83 179.36 1gqk h LYS 224 N 0.84 0.48 -0.53 1.46 1.57 -1.37 -3.15 116.57 115.89 1gqk h LYS 224 Ca 0.19 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1gqk h LYS 224 Cb 0.26 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1gqk h LYS 224 CO -0.01 0.98 0.17 0.82 -0.57 0.00 0.00 179.45 180.85 1gqk h ILE 225 N 0.08 1.21 -0.30 1.86 2.04 -0.42 -2.44 117.51 119.54 1gqk h ILE 225 Ca -0.02 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1gqk h ILE 225 Cb 1.03 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1gqk h ILE 225 CO 0.09 0.27 0.12 0.00 0.00 0.00 0.00 178.15 178.63 1gqk h ALA 226 N 1.42 1.65 -0.49 1.87 0.00 -0.86 -0.04 119.26 122.81 1gqk h ALA 226 Ca 0.18 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1gqk h ALA 226 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1gqk h ALA 226 CO -0.01 0.28 -0.18 0.00 0.00 0.00 0.00 179.25 179.34 1gqk h ALA 227 N 1.72 0.68 0.01 0.00 0.00 -1.40 0.75 119.26 121.01 1gqk h ALA 227 Ca 0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1gqk h ALA 227 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gqk h ALA 227 CO -0.01 0.64 -0.00 -0.07 0.00 0.00 0.00 179.25 179.81 1gqk h LEU 228 N 0.84 -0.01 -0.98 0.00 3.38 -1.21 -2.01 115.31 115.32 1gqk h LEU 228 Ca 0.12 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1gqk h LEU 228 Cb 0.75 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 1gqk h LEU 228 CO 0.06 0.08 0.63 0.00 0.09 0.00 0.00 178.44 179.29 1gqk h ALA 229 N 0.90 1.41 -0.95 1.53 0.00 -0.82 -0.61 119.26 120.72 1gqk h ALA 229 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1gqk h ALA 229 Cb 0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1gqk h ALA 229 CO 0.00 0.34 0.57 -0.44 0.00 0.00 0.00 179.25 179.72 1gqk h ASP 230 N 1.08 1.14 0.37 0.00 3.32 -0.61 -0.92 116.42 120.80 1gqk h ASP 230 Ca 0.45 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.32 1gqk h ASP 230 Cb 0.29 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1gqk h ASP 230 CO -0.21 0.88 -0.47 0.00 -1.72 0.00 0.00 179.24 177.72 1gqk h ALA 231 N 1.32 1.13 0.01 3.45 0.00 -0.41 -3.24 119.26 121.51 1gqk h ALA 231 Ca 0.34 -0.44 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 1gqk h ALA 231 Cb -0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1gqk h ALA 231 CO -0.06 0.61 -1.23 0.74 0.00 0.00 0.00 179.25 179.31 1gqk h PHE 232 N 0.10 0.03 -0.53 0.00 0.04 -0.91 -3.40 116.94 112.28 1gqk h PHE 232 Ca 0.00 -0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.86 1gqk h PHE 232 Cb 0.86 -0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.92 1gqk h PHE 232 CO 0.01 1.02 -0.06 -0.09 -0.60 0.00 0.00 178.31 178.59 1gqk h ARG 233 N 0.00 0.06 0.00 1.51 2.43 -1.20 -0.63 114.38 116.55 1gqk h ARG 233 Ca -0.10 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1gqk h ARG 233 Cb 1.85 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.39 1gqk h ARG 233 CO 0.12 0.04 0.00 -1.35 -1.51 0.00 0.00 179.97 177.27 1gqk h PRO 234 N 0.06 0.00 -0.47 0.20 0.11 -1.77 -0.91 132.00 129.22 1gqk h PRO 234 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1gqk h PRO 234 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1gqk h PRO 234 CO -0.50 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.95 1gqk n TYR 235 N -2.96 0.62 -1.04 0.65 4.01 -0.26 -4.10 117.16 114.08 1gqk n TYR 235 Ca -0.01 -0.31 -0.01 0.00 -0.16 0.00 0.00 57.90 57.40 1gqk n TYR 235 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 1gqk n TYR 235 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gqk n GLY 236 N 1.31 0.47 3.57 2.72 0.00 -0.35 -4.71 105.19 108.21 1gqk n GLY 236 Ca 0.17 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1gqk n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqk s ILE 237 N -1.85 5.12 0.34 -0.61 1.01 -1.12 -4.63 121.20 119.45 1gqk s ILE 237 Ca 0.00 0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.81 1gqk s ILE 237 Cb 0.00 -3.83 -0.09 0.00 0.01 0.00 0.00 42.46 38.54 1gqk s ILE 237 CO 0.00 -0.06 0.78 -0.54 0.00 0.00 0.00 174.94 175.12 1gqk s LYS 238 N 2.17 4.05 -0.03 2.79 1.02 -0.68 -3.96 119.74 125.10 1gqk s LYS 238 Ca 0.15 0.76 -0.19 0.00 0.02 0.00 0.00 55.97 56.71 1gqk s LYS 238 Cb -0.16 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 1gqk s LYS 238 CO 0.12 0.13 0.52 1.41 -0.92 0.00 0.00 175.35 176.60 1gqk s MET 239 N -3.00 4.23 0.08 1.68 -2.45 -1.26 -1.75 119.30 116.83 1gqk s MET 239 Ca 0.55 0.59 0.03 0.00 -1.25 0.00 0.00 55.69 55.61 1gqk s MET 239 Cb -0.10 -3.34 -0.03 0.00 1.25 0.00 0.00 34.83 32.61 1gqk s MET 239 CO 0.17 0.40 -0.09 0.71 1.05 0.00 0.00 175.02 177.26 1gqk s TYR 240 N -0.22 0.90 0.03 4.11 1.51 -0.13 0.38 117.35 123.94 1gqk s TYR 240 Ca 0.28 -0.63 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 1gqk s TYR 240 Cb -0.17 -0.51 -0.02 0.00 -0.11 0.00 0.00 41.96 41.15 1gqk s TYR 240 CO 0.15 -0.06 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.89 1gqk s LEU 241 N -2.19 2.16 0.28 -1.29 1.43 -1.00 -3.02 118.68 115.06 1gqk s LEU 241 Ca 0.00 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.39 1gqk s LEU 241 Cb -0.04 -0.58 -0.09 0.00 0.03 0.00 0.00 46.19 45.50 1gqk s LEU 241 CO -0.01 0.04 0.97 -0.44 0.23 0.00 0.00 176.35 177.14 1gqk s SER 242 N -1.06 7.44 0.13 2.29 0.01 -1.26 -1.03 113.70 120.22 1gqk s SER 242 Ca 0.01 1.96 0.10 0.00 1.31 0.00 0.00 55.95 59.33 1gqk s SER 242 Cb -0.08 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 1gqk s SER 242 CO 0.01 0.01 -0.24 0.27 0.41 0.00 0.00 173.24 173.70 1gqk s ILE 243 N -1.35 2.04 -0.24 1.44 -5.25 -0.57 -4.80 121.20 112.47 1gqk s ILE 243 Ca 0.45 -1.73 -0.16 0.00 -0.99 0.00 0.00 60.65 58.23 1gqk s ILE 243 Cb -0.24 -1.85 -0.04 0.00 2.95 0.00 0.00 42.46 43.29 1gqk s ILE 243 CO 0.30 -0.02 0.41 0.21 -1.79 0.00 0.00 174.94 174.05 1gqk s ASN 244 N -2.12 6.36 0.51 4.36 2.47 -1.26 -4.50 114.94 120.77 1gqk s ASN 244 Ca 0.12 0.42 0.20 0.00 0.42 0.00 0.00 52.86 54.03 1gqk s ASN 244 Cb -0.09 -2.23 1.32 0.00 -1.45 0.00 0.00 41.25 38.79 1gqk s ASN 244 CO 0.06 -0.16 2.10 0.15 -3.72 0.00 0.00 177.10 175.54 1gqk h PHE 245 N 7.80 0.00 -0.19 0.43 3.57 -1.87 -1.65 116.94 125.03 1gqk h PHE 245 Ca -0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1gqk h PHE 245 Cb 1.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1gqk h PHE 245 CO 0.72 0.09 0.00 0.09 -2.23 0.00 0.00 178.31 176.98 1gqk n ASN 246 N -4.17 1.51 -0.27 0.41 4.13 -1.26 -4.55 115.26 111.06 1gqk n ASN 246 Ca -0.03 -2.09 0.09 0.00 1.68 0.00 0.00 54.58 54.23 1gqk n ASN 246 Cb 0.17 -0.28 0.23 0.00 -1.54 0.00 0.00 39.78 38.35 1gqk n ASN 246 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1gqk h SER 247 N 1.17 -0.08 -0.96 6.41 0.02 -1.71 -0.87 113.55 117.53 1gqk h SER 247 Ca 0.00 0.18 0.16 0.00 -0.84 0.00 0.00 61.79 61.29 1gqk h SER 247 Cb 0.49 0.27 -0.08 0.00 0.14 0.00 0.00 62.40 63.21 1gqk h SER 247 CO 0.05 -0.12 0.60 -0.65 -1.14 0.00 0.00 176.83 175.57 1gqk h PRO 248 N 0.20 0.72 -0.03 3.45 0.11 -1.87 -0.06 132.00 134.53 1gqk h PRO 248 Ca 0.48 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.34 1gqk h PRO 248 Cb 0.90 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.86 1gqk h PRO 248 CO -0.62 0.48 -0.77 0.00 -0.21 0.00 0.00 178.00 176.89 1gqk h ARG 249 N 0.75 0.58 -0.68 1.05 3.08 -1.23 -1.81 114.38 116.12 1gqk h ARG 249 Ca 0.50 -0.58 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1gqk h ARG 249 Cb 0.79 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.96 1gqk h ARG 249 CO -0.27 1.20 0.45 0.00 -1.07 0.00 0.00 179.97 180.28 1gqk h ALA 250 N 0.40 1.58 0.00 0.04 0.00 -0.40 0.16 119.26 121.04 1gqk h ALA 250 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1gqk h ALA 250 Cb 1.44 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1gqk h ALA 250 CO 0.15 0.36 0.00 1.19 0.00 0.00 0.00 179.25 180.95 1gqk n PHE 251 N -4.45 0.00 -1.69 0.00 3.01 -0.11 -4.90 117.46 109.31 1gqk n PHE 251 Ca 0.08 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.43 1gqk n PHE 251 Cb 0.10 -0.24 -0.03 0.00 -0.01 0.00 0.00 39.48 39.30 1gqk n PHE 251 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gqk n GLY 252 N 1.04 0.66 0.08 1.37 0.00 0.55 -4.92 105.19 103.97 1gqk n GLY 252 Ca 0.15 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.63 1gqk n GLY 252 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gqk n ASP 253 N 0.13 0.08 -3.91 1.61 8.00 -0.72 -4.96 116.55 116.77 1gqk n ASP 253 Ca -0.12 0.03 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 1gqk n ASP 253 Cb 0.46 1.18 -0.13 0.00 -0.02 0.00 0.00 41.12 42.60 1gqk n ASP 253 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gqk s VAL 254 N -2.79 0.11 -2.07 2.53 1.01 -0.95 -5.02 120.40 113.22 1gqk s VAL 254 Ca -0.09 -0.27 0.13 0.00 0.00 0.00 0.00 61.98 61.75 1gqk s VAL 254 Cb 0.08 -0.14 0.34 0.00 0.00 0.00 0.00 36.38 36.67 1gqk s VAL 254 CO 0.85 -0.10 1.41 -0.90 0.00 0.00 0.00 175.10 176.36 1gqk n ASP 255 N 2.68 0.82 -4.03 3.32 5.68 -1.26 -3.43 116.55 120.33 1gqk n ASP 255 Ca -0.15 -1.75 -0.10 0.00 -0.50 0.00 0.00 54.79 52.29 1gqk n ASP 255 Cb 0.58 -0.08 -0.07 0.00 -1.14 0.00 0.00 41.12 40.42 1gqk n ASP 255 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1gqk s THR 256 N -1.85 0.01 -0.03 2.12 -1.32 -1.26 -5.02 115.64 108.29 1gqk s THR 256 Ca 0.22 -1.52 0.04 0.00 -1.21 0.00 0.00 61.69 59.22 1gqk s THR 256 Cb 0.11 -2.19 0.06 0.00 -1.51 0.00 0.00 72.50 68.96 1gqk s THR 256 CO 0.17 -0.05 0.93 0.00 -2.21 0.00 0.00 174.62 173.46 1gqk n ALA 257 N -0.33 1.86 -1.64 11.08 0.00 -1.26 -4.42 120.51 125.80 1gqk n ALA 257 Ca -0.02 -1.23 -0.49 0.00 0.00 0.00 0.00 53.44 51.70 1gqk n ALA 257 Cb 0.63 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 1gqk n ALA 257 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1gqk n ASP 258 N -0.56 3.21 0.26 0.00 2.03 -1.26 -4.84 116.55 115.39 1gqk n ASP 258 Ca 0.03 0.83 0.17 0.00 0.52 0.00 0.00 54.79 56.35 1gqk n ASP 258 Cb 0.41 -1.36 0.84 0.00 -0.72 0.00 0.00 41.12 40.29 1gqk n ASP 258 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1gqk h PRO 259 N 10.10 0.00 -0.00 -0.67 0.13 -1.93 -1.15 132.00 138.48 1gqk h PRO 259 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1gqk h PRO 259 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1gqk h PRO 259 CO 0.96 0.00 -0.34 1.28 -0.23 0.00 0.00 178.00 179.67 1gqk n LEU 260 N -2.79 0.42 -4.68 1.56 4.77 -1.26 -4.59 117.00 110.42 1gqk n LEU 260 Ca -0.01 0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.64 1gqk n LEU 260 Cb 0.15 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1gqk n LEU 260 CO 0.20 0.10 0.93 -0.62 -1.33 0.00 0.00 177.39 176.67 1gqk s ASP 261 N -2.93 7.09 0.42 -1.43 -1.08 -0.44 -4.93 116.67 113.37 1gqk s ASP 261 Ca 0.14 1.65 0.16 0.00 -0.52 0.00 0.00 52.55 53.97 1gqk s ASP 261 Cb 0.18 -2.55 1.05 0.00 -1.46 0.00 0.00 42.92 40.14 1gqk s ASP 261 CO 0.63 -0.60 1.90 1.55 0.52 0.00 0.00 175.17 179.18 1gqk h PRO 262 N 7.51 0.42 -0.36 4.34 0.13 -1.87 -1.40 132.00 140.76 1gqk h PRO 262 Ca -0.29 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.74 1gqk h PRO 262 Cb 1.13 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1gqk h PRO 262 CO 0.91 0.28 -0.10 0.00 -0.23 0.00 0.00 178.00 178.86 1gqk h ARG 263 N 0.43 0.62 -0.34 0.86 3.08 -1.93 -1.01 114.38 116.09 1gqk h ARG 263 Ca 0.40 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 1gqk h ARG 263 Cb 0.91 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1gqk h ARG 263 CO -0.13 0.71 -0.21 0.28 -1.07 0.00 0.00 179.97 179.54 1gqk h VAL 264 N 0.57 1.29 -0.48 2.04 2.07 -1.55 -0.73 116.25 119.45 1gqk h VAL 264 Ca 0.10 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.30 1gqk h VAL 264 Cb 0.51 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1gqk h VAL 264 CO 0.03 0.44 0.28 1.56 0.02 0.00 0.00 177.57 179.90 1gqk h GLN 265 N 0.52 0.54 -0.65 1.57 4.20 -1.08 -2.31 115.11 117.91 1gqk h GLN 265 Ca 0.07 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 1gqk h GLN 265 Cb 0.76 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1gqk h GLN 265 CO 0.06 0.36 0.06 0.37 -0.67 0.00 0.00 178.83 179.00 1gqk h GLN 266 N 0.56 1.10 -0.36 1.46 5.75 -1.11 -2.08 115.11 120.43 1gqk h GLN 266 Ca 0.20 -0.32 0.04 0.00 -0.15 0.00 0.00 58.65 58.41 1gqk h GLN 266 Cb 0.03 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.43 1gqk h GLN 266 CO -0.10 1.04 0.14 2.35 -2.65 0.00 0.00 178.83 179.61 1gqk h TRP 267 N 1.02 0.26 -0.37 3.99 7.01 -0.66 0.11 115.95 127.32 1gqk h TRP 267 Ca 0.19 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.09 1gqk h TRP 267 Cb 0.50 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 1gqk h TRP 267 CO 0.04 0.12 -0.23 -1.49 -2.79 0.00 0.00 178.44 174.08 1gqk h TRP 268 N 0.30 0.83 -0.14 2.65 4.06 -1.33 -0.52 115.95 121.80 1gqk h TRP 268 Ca 0.16 -0.19 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 1gqk h TRP 268 Cb 0.11 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 1gqk h TRP 268 CO -0.13 0.89 0.07 -0.22 -3.56 0.00 0.00 178.44 175.49 1gqk h LYS 269 N 0.64 0.20 -0.56 0.49 3.64 -0.85 0.10 116.57 120.23 1gqk h LYS 269 Ca 0.09 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1gqk h LYS 269 Cb 0.73 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 1gqk h LYS 269 CO 0.06 0.25 0.13 1.15 -2.27 0.00 0.00 179.45 178.76 1gqk h THR 270 N 0.09 1.23 -0.57 1.00 2.02 -0.67 -2.03 112.91 113.98 1gqk h THR 270 Ca 0.05 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.28 1gqk h THR 270 Cb 0.12 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1gqk h THR 270 CO -0.01 0.32 -0.01 -0.09 0.37 0.00 0.00 175.52 176.10 1gqk h ARG 271 N 0.83 1.02 -0.73 6.66 9.65 -0.77 -1.78 114.38 129.25 1gqk h ARG 271 Ca 0.18 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1gqk h ARG 271 Cb 0.32 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.77 1gqk h ARG 271 CO 0.00 1.02 0.43 0.00 2.80 0.00 0.00 179.97 184.22 1gqk h ALA 272 N 0.97 0.94 -0.58 2.80 0.00 -0.59 0.48 119.26 123.27 1gqk h ALA 272 Ca 0.16 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1gqk h ALA 272 Cb 0.56 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1gqk h ALA 272 CO 0.03 0.42 0.30 1.96 0.00 0.00 0.00 179.25 181.96 1gqk h GLN 273 N 1.00 0.55 -0.24 0.00 4.20 -1.07 -0.40 115.11 119.15 1gqk h GLN 273 Ca 0.26 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 1gqk h GLN 273 Cb -0.01 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1gqk h GLN 273 CO -0.05 0.36 0.12 -0.22 -0.67 0.00 0.00 178.83 178.38 1gqk h LYS 274 N 0.56 0.34 -0.39 1.46 3.64 -0.62 -0.96 116.57 120.60 1gqk h LYS 274 Ca 0.26 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1gqk h LYS 274 Cb 0.17 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1gqk h LYS 274 CO -0.18 0.33 0.19 0.82 -2.27 0.00 0.00 179.45 178.34 1gqk h ILE 275 N 0.26 0.96 0.00 2.00 2.04 -0.63 -2.58 117.51 119.57 1gqk h ILE 275 Ca 0.08 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1gqk h ILE 275 Cb 0.09 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1gqk h ILE 275 CO -0.01 0.07 -0.18 1.88 0.00 0.00 0.00 178.15 179.91 1gqk h TYR 276 N 0.38 0.00 -0.13 1.37 0.05 -0.78 0.76 116.97 118.63 1gqk h TYR 276 Ca 0.17 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.88 1gqk h TYR 276 Cb 0.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1gqk h TYR 276 CO -0.11 0.18 -0.24 0.66 -1.05 0.00 0.00 178.16 177.60 1gqk h SER 277 N 0.00 0.22 0.23 3.88 4.64 -0.78 -2.85 113.55 118.88 1gqk h SER 277 Ca -0.00 -0.06 -0.35 0.00 -0.47 0.00 0.00 61.79 60.91 1gqk h SER 277 Cb 0.67 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1gqk h SER 277 CO 0.02 0.47 -1.70 1.88 -0.87 0.00 0.00 176.83 176.63 1gqk h TYR 278 N 0.20 0.72 -2.85 4.77 0.05 -1.12 -3.44 116.97 115.31 1gqk h TYR 278 Ca 0.03 -0.52 -0.60 0.00 0.05 0.00 0.00 58.73 57.69 1gqk h TYR 278 Cb 0.55 -0.03 -0.40 0.00 1.01 0.00 0.00 36.73 37.86 1gqk h TYR 278 CO 0.01 1.64 -0.78 0.42 -1.05 0.00 0.00 178.16 178.40 1gqk s ILE 279 N -2.59 0.95 -0.00 -2.88 1.01 0.17 -4.88 121.20 112.99 1gqk s ILE 279 Ca -0.14 -2.24 0.31 0.00 0.00 0.00 0.00 60.65 58.57 1gqk s ILE 279 Cb 0.05 -1.68 0.33 0.00 0.01 0.00 0.00 42.46 41.17 1gqk s ILE 279 CO 0.86 -0.93 1.93 -0.65 0.00 0.00 0.00 174.94 176.15 1gqk h PRO 280 N 6.85 0.00 -0.24 2.79 0.11 -1.76 -2.17 132.00 137.58 1gqk h PRO 280 Ca 0.01 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.04 1gqk h PRO 280 Cb 0.94 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.00 1gqk h PRO 280 CO 0.40 0.00 -0.09 -0.40 -0.21 0.00 0.00 178.00 177.71 1gqk n ASP 281 N -2.67 2.78 -4.64 -2.05 5.75 -1.26 -5.02 116.55 109.43 1gqk n ASP 281 Ca -0.00 -3.48 -0.45 0.00 -0.01 0.00 0.00 54.79 50.85 1gqk n ASP 281 Cb 0.17 -0.57 -0.02 0.00 -1.03 0.00 0.00 41.12 39.67 1gqk n ASP 281 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1gqk n PHE 282 N -1.00 1.81 -0.02 2.11 7.35 -0.81 -4.63 117.46 122.27 1gqk n PHE 282 Ca 0.26 0.58 -0.16 0.00 -0.76 0.00 0.00 57.45 57.38 1gqk n PHE 282 Cb 0.90 -2.36 -0.10 0.00 0.35 0.00 0.00 39.48 38.27 1gqk n PHE 282 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1gqk h GLY 283 N 2.93 0.33 0.00 7.13 0.00 -0.40 -3.42 103.07 109.64 1gqk h GLY 283 Ca -0.43 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.38 1gqk h GLY 283 CO 0.66 0.46 0.00 0.61 0.00 0.00 0.00 176.54 178.27 1gqk n GLY 284 N 0.89 0.75 3.50 4.60 0.00 -1.24 -1.18 105.19 112.51 1gqk n GLY 284 Ca -0.09 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 1gqk n GLY 284 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gqk s PHE 285 N -3.21 2.59 -0.11 1.61 0.08 -0.53 -2.36 117.98 116.05 1gqk s PHE 285 Ca 0.00 -0.24 -0.03 0.00 0.12 0.00 0.00 56.93 56.79 1gqk s PHE 285 Cb 0.00 -1.40 -0.03 0.00 -0.57 0.00 0.00 43.02 41.02 1gqk s PHE 285 CO 0.00 0.35 -0.00 -1.17 -0.10 0.00 0.00 175.22 174.30 1gqk s LEU 286 N -1.93 3.52 -0.08 -0.37 2.96 -0.20 0.29 118.68 122.87 1gqk s LEU 286 Ca 0.18 0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1gqk s LEU 286 Cb -0.11 -1.82 0.03 0.00 0.50 0.00 0.00 46.19 44.79 1gqk s LEU 286 CO 0.09 0.32 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.74 1gqk s VAL 287 N -0.54 0.54 -0.38 1.68 1.01 -0.40 -1.52 120.40 120.79 1gqk s VAL 287 Ca 0.09 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 1gqk s VAL 287 Cb -0.12 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.63 1gqk s VAL 287 CO 0.02 0.28 0.21 -0.75 0.00 0.00 0.00 175.10 174.86 1gqk s LYS 288 N 1.90 2.76 0.00 2.72 2.20 -1.26 -1.30 119.74 126.77 1gqk s LYS 288 Ca 0.05 -1.17 0.03 0.00 -0.36 0.00 0.00 55.97 54.52 1gqk s LYS 288 Cb -0.12 -3.73 -0.01 0.00 -1.51 0.00 0.00 37.83 32.46 1gqk s LYS 288 CO -0.06 -0.75 -0.10 0.00 -0.36 0.00 0.00 175.35 174.07 1gqk s ALA 289 N 1.52 0.85 -1.47 3.13 0.00 -1.26 -4.71 121.76 119.82 1gqk s ALA 289 Ca 0.02 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.36 1gqk s ALA 289 Cb -0.20 -0.19 0.06 0.00 0.00 0.00 0.00 23.12 22.79 1gqk s ALA 289 CO 0.06 0.19 1.03 -0.25 0.00 0.00 0.00 175.76 176.79 1gqk n ASP 290 N 2.61 -5.07 -3.74 0.00 8.00 -0.69 -4.90 116.55 112.76 1gqk n ASP 290 Ca -0.15 -0.71 -0.15 0.00 0.71 0.00 0.00 54.79 54.50 1gqk n ASP 290 Cb 0.56 -4.25 -0.15 0.00 -0.02 0.00 0.00 41.12 37.27 1gqk n ASP 290 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1gqk s SER 291 N -3.38 0.12 -1.33 -2.24 0.15 -1.18 -4.66 113.70 101.19 1gqk s SER 291 Ca 0.60 0.24 -0.06 0.00 0.70 0.00 0.00 55.95 57.43 1gqk s SER 291 Cb -0.29 0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.18 1gqk s SER 291 CO 0.80 -0.16 0.41 -0.62 1.20 0.00 0.00 173.24 174.87 1gqk n GLU 292 N 4.43 -3.54 -0.32 5.44 1.02 -1.26 -0.82 120.64 125.59 1gqk n GLU 292 Ca -0.22 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1gqk n GLU 292 Cb 0.51 -5.36 0.00 0.00 -0.02 0.00 0.00 31.44 26.57 1gqk n GLU 292 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gqk n GLY 293 N -1.20 1.20 3.75 0.62 0.00 -1.26 -5.04 105.19 103.27 1gqk n GLY 293 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1gqk n GLY 293 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gqk s GLN 294 N -0.43 4.67 0.89 1.61 -1.52 -0.00 -5.00 119.66 119.88 1gqk s GLN 294 Ca 0.00 1.74 -0.11 0.00 -1.95 0.00 0.00 55.36 55.04 1gqk s GLN 294 Cb 0.00 -3.22 0.13 0.00 -0.22 0.00 0.00 33.01 29.70 1gqk s GLN 294 CO 0.00 0.24 1.11 -2.14 -0.25 0.00 0.00 175.29 174.25 1gqk s PRO 295 N -1.23 1.28 0.02 2.91 0.02 -1.26 -1.71 135.00 135.04 1gqk s PRO 295 Ca 0.45 1.26 -0.21 0.00 0.02 0.00 0.00 61.00 62.52 1gqk s PRO 295 Cb -0.31 -1.78 0.07 0.00 0.02 0.00 0.00 34.50 32.51 1gqk s PRO 295 CO 0.39 -2.35 0.96 0.41 -0.33 0.00 0.00 177.00 176.08 1gqk n GLY 296 N -0.39 0.41 0.33 0.52 0.00 -1.26 -2.66 105.19 102.14 1gqk n GLY 296 Ca 0.09 -1.03 0.05 0.00 0.00 0.00 0.00 46.02 45.13 1gqk n GLY 296 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1gqk h PRO 297 N 0.00 0.64 0.00 1.61 0.11 -1.87 -1.88 132.00 130.61 1gqk h PRO 297 Ca -0.18 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 1gqk h PRO 297 Cb 0.94 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1gqk h PRO 297 CO 0.26 0.42 -0.07 1.96 -0.21 0.00 0.00 178.00 180.36 1gqk h GLN 298 N 0.66 0.00 0.00 1.05 4.20 -1.81 0.24 115.11 119.45 1gqk h GLN 298 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1gqk h GLN 298 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1gqk h GLN 298 CO -0.05 0.07 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 1gqk n GLY 299 N -0.85 -0.90 0.08 3.46 0.00 -0.71 -1.84 105.19 104.44 1gqk n GLY 299 Ca -0.02 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1gqk n GLY 299 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gqk n TYR 300 N -1.88 0.00 -1.96 1.61 4.01 0.72 -4.97 117.16 114.69 1gqk n TYR 300 Ca 0.01 -0.81 -0.15 0.00 -0.16 0.00 0.00 57.90 56.78 1gqk n TYR 300 Cb 0.10 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 38.98 1gqk n TYR 300 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gqk n GLY 301 N -1.12 0.44 3.75 2.72 0.00 -0.76 -5.01 105.19 105.21 1gqk n GLY 301 Ca 0.11 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1gqk n GLY 301 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqk s ARG 302 N -4.20 2.41 0.50 1.61 1.81 -0.36 -4.97 118.95 115.75 1gqk s ARG 302 Ca 0.00 -1.54 0.09 0.00 -1.72 0.00 0.00 55.73 52.56 1gqk s ARG 302 Cb 0.00 -2.20 0.05 0.00 -0.45 0.00 0.00 34.95 32.34 1gqk s ARG 302 CO 0.00 0.08 0.68 0.16 -0.68 0.00 0.00 175.30 175.54 1gqk s ASP 303 N -3.88 5.38 0.37 0.23 1.47 -1.26 -2.63 116.67 116.35 1gqk s ASP 303 Ca 0.39 -0.62 0.19 0.00 1.18 0.00 0.00 52.55 53.69 1gqk s ASP 303 Cb -0.02 -0.20 0.61 0.00 -0.34 0.00 0.00 42.92 42.97 1gqk s ASP 303 CO 0.23 -1.05 1.69 0.45 0.68 0.00 0.00 175.17 177.18 1gqk h HIS 304 N 0.41 0.00 -0.29 2.11 3.86 -1.95 -1.76 115.15 117.53 1gqk h HIS 304 Ca -0.35 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.81 1gqk h HIS 304 Cb 1.28 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.74 1gqk h HIS 304 CO 0.41 0.36 -0.03 0.00 0.86 0.00 0.00 177.93 179.54 1gqk h ALA 305 N 1.64 0.39 -0.71 2.45 0.00 -1.95 0.13 119.26 121.21 1gqk h ALA 305 Ca -0.00 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1gqk h ALA 305 Cb 0.96 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1gqk h ALA 305 CO 0.05 0.16 0.44 0.93 0.00 0.00 0.00 179.25 180.82 1gqk h GLU 306 N 0.30 0.82 -0.12 0.00 5.08 -1.82 0.55 114.58 119.39 1gqk h GLU 306 Ca 0.08 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1gqk h GLU 306 Cb 0.48 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1gqk h GLU 306 CO 0.02 0.54 -0.08 0.78 -1.00 0.00 0.00 179.01 179.27 1gqk h GLY 307 N 0.84 0.29 1.02 -3.84 0.00 -1.23 -2.65 103.07 97.51 1gqk h GLY 307 Ca 0.29 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 1gqk h GLY 307 CO -0.12 0.25 0.29 0.00 0.00 0.00 0.00 176.54 176.95 1gqk h ALA 308 N 0.64 0.89 -0.13 3.60 0.00 -0.76 -2.74 119.26 120.76 1gqk h ALA 308 Ca 0.03 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1gqk h ALA 308 Cb 0.56 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1gqk h ALA 308 CO 0.02 0.50 -0.40 -0.91 0.00 0.00 0.00 179.25 178.46 1gqk h ASN 309 N 0.97 0.29 -0.23 0.00 2.35 -0.90 0.63 115.58 118.70 1gqk h ASN 309 Ca 0.23 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1gqk h ASN 309 Cb 0.19 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1gqk h ASN 309 CO -0.02 0.67 0.09 -0.03 -1.65 0.00 0.00 177.43 176.48 1gqk h MET 310 N 0.23 0.35 -0.63 0.81 4.05 -1.33 0.17 114.93 118.59 1gqk h MET 310 Ca 0.02 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 1gqk h MET 310 Cb 0.81 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.53 1gqk h MET 310 CO 0.06 0.40 0.27 -0.07 0.23 0.00 0.00 176.91 177.80 1gqk h LEU 311 N 0.22 0.86 -1.07 3.39 3.38 -1.22 -2.87 115.31 118.01 1gqk h LEU 311 Ca 0.08 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1gqk h LEU 311 Cb 0.19 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1gqk h LEU 311 CO -0.01 0.78 0.17 0.00 0.09 0.00 0.00 178.44 179.48 1gqk h ALA 312 N 1.11 1.25 -0.25 1.53 0.00 -0.59 -2.11 119.26 120.20 1gqk h ALA 312 Ca 0.21 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1gqk h ALA 312 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1gqk h ALA 312 CO -0.02 0.53 -0.13 0.00 0.00 0.00 0.00 179.25 179.63 1gqk h ALA 313 N 1.37 1.32 -0.16 0.00 0.00 -0.45 0.10 119.26 121.45 1gqk h ALA 313 Ca 0.19 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1gqk h ALA 313 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1gqk h ALA 313 CO -0.01 0.46 -0.45 0.00 0.00 0.00 0.00 179.25 179.25 1gqk h ALA 314 N 1.48 0.93 0.00 0.00 0.00 -1.19 -3.26 119.26 117.23 1gqk h ALA 314 Ca 0.07 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 1gqk h ALA 314 Cb 0.46 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1gqk h ALA 314 CO 0.03 0.64 -1.33 -0.07 0.00 0.00 0.00 179.25 178.52 1gqk h LEU 315 N 0.32 0.00 -0.69 0.00 3.38 -0.90 -3.41 115.31 114.01 1gqk h LEU 315 Ca 0.02 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.13 1gqk h LEU 315 Cb 0.92 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 1gqk h LEU 315 CO 0.08 0.68 -0.16 0.50 0.09 0.00 0.00 178.44 179.62 1gqk h LYS 316 N 0.00 0.01 0.00 1.13 1.63 -0.85 -0.12 116.57 118.36 1gqk h LYS 316 Ca -0.16 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1gqk h LYS 316 Cb 1.66 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.28 1gqk h LYS 316 CO 0.06 0.00 0.00 -1.35 -3.45 0.00 0.00 179.45 174.71 1gqk h PRO 317 N 0.01 0.00 -0.20 1.90 0.11 -1.79 -1.86 132.00 130.17 1gqk h PRO 317 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1gqk h PRO 317 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1gqk h PRO 317 CO -0.70 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.28 1gqk n PHE 318 N -2.42 0.25 -0.96 0.65 3.72 -0.11 -4.97 117.46 113.62 1gqk n PHE 318 Ca -0.01 -0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 1gqk n PHE 318 Cb 0.11 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1gqk n PHE 318 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gqk n GLY 319 N 0.90 0.48 3.86 1.37 0.00 -0.70 -4.93 105.19 106.18 1gqk n GLY 319 Ca 0.12 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1gqk n GLY 319 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gqk s GLY 320 N -2.34 1.93 0.21 -0.02 0.00 -0.87 -4.99 107.32 101.24 1gqk s GLY 320 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 44.72 44.75 1gqk s GLY 320 CO 0.00 0.15 -0.21 -1.34 0.00 0.00 0.00 173.10 171.70 1gqk s VAL 321 N -2.57 2.23 -0.26 1.40 -7.23 -0.32 -4.33 120.40 109.33 1gqk s VAL 321 Ca 0.54 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.52 1gqk s VAL 321 Cb -0.10 -2.11 -0.00 0.00 0.56 0.00 0.00 36.38 34.73 1gqk s VAL 321 CO 0.34 -0.28 0.02 -0.69 -0.31 0.00 0.00 175.10 174.19 1gqk s VAL 322 N -2.09 3.72 -0.65 1.32 1.01 -0.14 -1.45 120.40 122.12 1gqk s VAL 322 Ca 0.23 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 1gqk s VAL 322 Cb -0.06 -2.81 0.10 0.00 0.00 0.00 0.00 36.38 33.60 1gqk s VAL 322 CO 0.10 0.25 0.83 -0.36 0.00 0.00 0.00 175.10 175.92 1gqk s PHE 323 N 1.49 2.93 -0.27 5.22 0.08 0.15 -0.57 117.98 127.01 1gqk s PHE 323 Ca 0.04 -0.90 -0.15 0.00 0.12 0.00 0.00 56.93 56.04 1gqk s PHE 323 Cb -0.16 -4.13 -0.04 0.00 -0.57 0.00 0.00 43.02 38.13 1gqk s PHE 323 CO 0.00 -1.42 0.36 -0.46 -0.10 0.00 0.00 175.22 173.59 1gqk s TRP 324 N 3.06 3.25 0.27 0.36 -0.11 0.74 -1.27 118.94 125.24 1gqk s TRP 324 Ca 0.17 0.39 -0.29 0.00 1.22 0.00 0.00 56.10 57.59 1gqk s TRP 324 Cb -0.19 -2.55 -0.09 0.00 -1.50 0.00 0.00 33.47 29.13 1gqk s TRP 324 CO 0.05 -0.21 0.98 1.03 -4.62 0.00 0.00 176.95 174.18 1gqk s ARG 325 N 2.01 4.73 0.00 5.86 0.52 -0.42 -0.29 118.95 131.35 1gqk s ARG 325 Ca 0.14 1.53 0.23 0.00 -0.52 0.00 0.00 55.73 57.12 1gqk s ARG 325 Cb -0.16 -3.14 0.74 0.00 0.52 0.00 0.00 34.95 32.92 1gqk s ARG 325 CO 0.10 0.38 1.56 0.00 0.02 0.00 0.00 175.30 177.35 1gqk n ALA 326 N 1.18 2.52 -2.08 2.13 0.00 -0.14 -4.74 120.51 119.37 1gqk n ALA 326 Ca -0.01 -0.58 -0.33 0.00 0.00 0.00 0.00 53.44 52.53 1gqk n ALA 326 Cb 0.47 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 1gqk n ALA 326 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1gqk n PHE 327 N 0.51 3.07 -3.80 0.00 7.35 -1.26 -4.70 117.46 118.64 1gqk n PHE 327 Ca 0.17 -1.80 -0.14 0.00 -0.76 0.00 0.00 57.45 54.92 1gqk n PHE 327 Cb 0.39 -2.55 -0.15 0.00 0.35 0.00 0.00 39.48 37.52 1gqk n PHE 327 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1gqk s VAL 328 N 9.00 -0.04 -0.30 -2.13 1.01 -1.26 -4.77 120.40 121.92 1gqk s VAL 328 Ca 0.64 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.65 1gqk s VAL 328 Cb 0.02 -0.10 0.14 0.00 0.00 0.00 0.00 36.38 36.44 1gqk s VAL 328 CO 0.12 0.06 0.75 -0.72 0.00 0.00 0.00 175.10 175.31 1gqk s TYR 329 N 0.74 -1.15 0.25 5.22 1.13 -1.26 -3.52 117.35 118.76 1gqk s TYR 329 Ca -0.06 2.00 -0.25 0.00 -1.41 0.00 0.00 57.07 57.34 1gqk s TYR 329 Cb -0.08 0.69 -0.09 0.00 -1.10 0.00 0.00 41.96 41.38 1gqk s TYR 329 CO -0.02 -0.57 0.86 -1.58 -2.51 0.00 0.00 175.55 171.73 1gqk s HIS 330 N 2.75 3.79 0.37 -3.49 2.46 -1.26 -4.82 115.29 115.10 1gqk s HIS 330 Ca -0.05 1.70 0.27 0.00 0.47 0.00 0.00 55.06 57.45 1gqk s HIS 330 Cb -0.10 -2.84 1.36 0.00 -0.13 0.00 0.00 32.58 30.86 1gqk s HIS 330 CO -0.19 0.35 2.03 -1.00 -2.47 0.00 0.00 174.74 173.47 1gqk h PRO 331 N 3.66 0.00 -0.19 2.88 0.13 -2.02 -3.17 132.00 133.30 1gqk h PRO 331 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1gqk h PRO 331 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1gqk h PRO 331 CO 0.66 0.14 0.00 -0.25 -0.23 0.00 0.00 178.00 178.32 1gqk n ASP 332 N -3.62 1.62 -4.87 1.44 8.00 -1.26 -4.88 116.55 112.97 1gqk n ASP 332 Ca -0.02 -1.74 -0.31 0.00 0.71 0.00 0.00 54.79 53.44 1gqk n ASP 332 Cb 0.27 -0.12 0.01 0.00 -0.02 0.00 0.00 41.12 41.26 1gqk n ASP 332 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1gqk s ILE 333 N -1.76 4.74 0.19 0.53 -4.36 -1.20 -4.97 121.20 114.36 1gqk s ILE 333 Ca 0.31 0.79 -0.09 0.00 -0.26 0.00 0.00 60.65 61.40 1gqk s ILE 333 Cb 0.16 -3.87 0.09 0.00 1.25 0.00 0.00 42.46 40.10 1gqk s ILE 333 CO 0.24 -1.11 1.69 -0.08 0.24 0.00 0.00 174.94 175.93 1gqk h GLU 334 N -0.24 1.09 -2.84 0.37 4.81 -1.92 -3.42 114.58 112.42 1gqk h GLU 334 Ca -0.44 -0.28 -0.36 0.00 -0.13 0.00 0.00 59.36 58.14 1gqk h GLU 334 Cb 1.19 -0.13 -0.38 0.00 0.63 0.00 0.00 28.75 30.06 1gqk h GLU 334 CO 0.62 0.99 -0.67 0.34 -0.73 0.00 0.00 179.01 179.55 1gqk s ASP 335 N -6.44 1.55 0.36 1.04 2.15 -1.26 -5.02 116.67 109.05 1gqk s ASP 335 Ca -0.12 -0.22 0.14 0.00 0.43 0.00 0.00 52.55 52.78 1gqk s ASP 335 Cb 0.14 0.14 0.99 0.00 -0.30 0.00 0.00 42.92 43.88 1gqk s ASP 335 CO 0.84 -0.31 1.76 -0.09 -0.17 0.00 0.00 175.17 177.20 1gqk h ARG 336 N 8.36 0.49 -1.02 4.34 2.43 -1.92 -0.25 114.38 126.82 1gqk h ARG 336 Ca -0.15 -0.03 0.25 0.00 -0.81 0.00 0.00 59.98 59.23 1gqk h ARG 336 Cb 1.14 -0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 30.47 1gqk h ARG 336 CO 0.25 0.32 0.62 0.35 -1.51 0.00 0.00 179.97 180.01 1gqk h PHE 337 N 0.50 0.90 0.00 2.20 3.04 -1.95 0.30 116.94 121.93 1gqk h PHE 337 Ca 0.60 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.59 1gqk h PHE 337 Cb 1.33 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.58 1gqk h PHE 337 CO -0.00 0.08 0.00 0.00 -2.02 0.00 0.00 178.31 176.37 1gqk h ARG 338 N 0.54 0.00 0.01 1.11 3.08 -1.39 -3.42 114.38 114.31 1gqk h ARG 338 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.67 1gqk h ARG 338 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 1gqk h ARG 338 CO -0.40 0.00 -0.09 0.78 -1.07 0.00 0.00 179.97 179.19 1gqk h GLY 339 N 3.42 -1.31 1.01 0.04 0.00 -0.40 -2.13 103.07 103.70 1gqk h GLY 339 Ca 0.00 0.59 0.01 0.00 0.00 0.00 0.00 47.33 47.93 1gqk h GLY 339 CO 0.00 -0.47 0.63 0.00 0.00 0.00 0.00 176.54 176.70 1gqk h ALA 340 N -1.33 1.21 -0.18 3.60 0.00 -1.77 -0.96 119.26 119.82 1gqk h ALA 340 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1gqk h ALA 340 Cb 0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1gqk h ALA 340 CO -0.06 0.62 0.11 -0.92 0.00 0.00 0.00 179.25 179.00 1gqk h TYR 341 N 1.30 0.23 0.00 0.00 5.03 -1.85 -0.64 116.97 121.04 1gqk h TYR 341 Ca 0.35 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.60 1gqk h TYR 341 Cb -0.14 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.06 1gqk h TYR 341 CO -0.00 0.18 -0.30 -0.44 -1.32 0.00 0.00 178.16 176.28 1gqk h ASP 342 N 0.22 0.00 -0.09 -2.11 3.32 -0.82 -0.80 116.42 116.13 1gqk h ASP 342 Ca 0.06 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.91 1gqk h ASP 342 Cb 0.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.58 1gqk h ASP 342 CO -0.01 0.30 -0.72 -0.33 -1.72 0.00 0.00 179.24 176.76 1gqk h GLU 343 N 0.00 0.65 0.00 3.56 4.39 -0.84 -3.41 114.58 118.93 1gqk h GLU 343 Ca -0.00 -0.58 -0.24 0.00 0.34 0.00 0.00 59.36 58.88 1gqk h GLU 343 Cb 0.64 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.38 1gqk h GLU 343 CO 0.04 1.19 -2.14 1.19 -1.16 0.00 0.00 179.01 178.13 1gqk n PHE 344 N -4.05 0.00 -0.24 4.33 3.72 -0.28 -4.47 117.46 116.47 1gqk n PHE 344 Ca -0.09 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.35 1gqk n PHE 344 Cb 0.72 -0.77 0.16 0.00 -0.94 0.00 0.00 39.48 38.65 1gqk n PHE 344 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1gqk h MET 345 N 0.00 0.43 0.00 -1.08 2.86 -1.36 0.11 114.93 115.89 1gqk h MET 345 Ca -0.36 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1gqk h MET 345 Cb 1.78 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.34 1gqk h MET 345 CO 0.02 0.29 0.00 -2.30 1.06 0.00 0.00 176.91 175.97 1gqk n PRO 346 N -4.99 0.14 -0.06 -0.22 -0.02 -1.26 -1.79 135.00 126.80 1gqk n PRO 346 Ca 0.12 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 1gqk n PRO 346 Cb 0.36 -1.94 0.13 0.00 -0.02 0.00 0.00 33.50 32.04 1gqk n PRO 346 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1gqk n LEU 347 N -2.23 3.10 -4.68 2.45 4.77 0.37 -4.94 117.00 115.84 1gqk n LEU 347 Ca -0.01 -1.15 -0.45 0.00 -0.03 0.00 0.00 56.01 54.37 1gqk n LEU 347 Cb 0.05 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1gqk n LEU 347 CO 0.10 0.57 1.26 -0.67 -1.33 0.00 0.00 177.39 177.32 1gqk n ASP 348 N 1.36 3.33 0.00 -1.43 2.03 -0.74 -0.53 116.55 120.58 1gqk n ASP 348 Ca 0.15 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.53 1gqk n ASP 348 Cb 0.59 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 1gqk n ASP 348 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gqk n GLY 349 N 3.61 1.82 0.33 0.27 0.00 -1.22 -4.89 105.19 105.11 1gqk n GLY 349 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1gqk n GLY 349 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gqk n LYS 350 N -2.00 0.98 -3.33 1.61 4.76 0.31 -4.91 118.16 115.58 1gqk n LYS 350 Ca 0.00 -0.67 -0.36 0.00 -2.87 0.00 0.00 58.31 54.41 1gqk n LYS 350 Cb 0.00 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.65 1gqk n LYS 350 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1gqk s PHE 351 N -2.48 3.63 0.83 2.13 0.08 -1.26 -4.89 117.98 116.02 1gqk s PHE 351 Ca 0.23 1.11 -0.11 0.00 0.12 0.00 0.00 56.93 58.28 1gqk s PHE 351 Cb 0.19 -2.40 0.09 0.00 -0.57 0.00 0.00 43.02 40.33 1gqk s PHE 351 CO 0.53 0.44 1.13 0.00 -0.10 0.00 0.00 175.22 177.22 1gqk s ALA 352 N -1.42 1.89 0.11 5.36 0.00 -1.26 -4.91 121.76 121.53 1gqk s ALA 352 Ca 0.37 0.48 0.34 0.00 0.00 0.00 0.00 51.96 53.15 1gqk s ALA 352 Cb -0.16 -3.37 1.52 0.00 0.00 0.00 0.00 23.12 21.11 1gqk s ALA 352 CO 0.19 -2.21 2.01 0.22 0.00 0.00 0.00 175.76 175.96 1gqk h ASP 353 N -1.35 0.00 -0.62 0.00 1.82 -1.99 -1.33 116.42 112.95 1gqk h ASP 353 Ca -0.44 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.08 1gqk h ASP 353 Cb 1.25 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 41.19 1gqk h ASP 353 CO 0.47 0.00 0.16 -0.46 -1.61 0.00 0.00 179.24 177.80 1gqk n ASN 354 N -2.92 4.85 -4.57 2.28 6.94 -1.26 -4.84 115.26 115.74 1gqk n ASN 354 Ca 0.00 -3.00 -0.34 0.00 -0.02 0.00 0.00 54.58 51.22 1gqk n ASN 354 Cb 0.24 -0.71 -0.11 0.00 -2.36 0.00 0.00 39.78 36.84 1gqk n ASN 354 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1gqk s VAL 355 N -2.69 4.20 -0.10 3.53 1.01 -0.50 -0.96 120.40 124.89 1gqk s VAL 355 Ca 0.50 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1gqk s VAL 355 Cb 0.39 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1gqk s VAL 355 CO 0.13 0.51 -0.17 -0.63 0.00 0.00 0.00 175.10 174.94 1gqk s ILE 356 N 0.12 1.59 -0.32 2.22 1.01 0.27 -4.32 121.20 121.77 1gqk s ILE 356 Ca 0.01 -0.72 -0.26 0.00 0.00 0.00 0.00 60.65 59.67 1gqk s ILE 356 Cb -0.13 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.93 1gqk s ILE 356 CO 0.02 0.46 0.95 -0.22 0.00 0.00 0.00 174.94 176.14 1gqk s LEU 357 N 0.71 4.01 -0.35 2.97 2.96 -0.03 -0.18 118.68 128.76 1gqk s LEU 357 Ca -0.12 0.86 -0.19 0.00 -0.22 0.00 0.00 54.13 54.45 1gqk s LEU 357 Cb -0.16 -3.33 -0.00 0.00 0.50 0.00 0.00 46.19 43.20 1gqk s LEU 357 CO 0.03 -0.77 0.57 -1.58 -1.32 0.00 0.00 176.35 173.28 1gqk s GLN 358 N 3.35 3.65 -0.10 1.98 0.74 0.60 -1.09 119.66 128.78 1gqk s GLN 358 Ca 0.39 -0.07 0.04 0.00 0.05 0.00 0.00 55.36 55.78 1gqk s GLN 358 Cb -0.13 -3.81 -0.00 0.00 1.10 0.00 0.00 33.01 30.17 1gqk s GLN 358 CO 0.14 -0.68 -0.24 0.42 -0.55 0.00 0.00 175.29 174.39 1gqk s ILE 359 N 2.53 2.11 0.81 -2.34 1.01 -0.11 -0.97 121.20 124.23 1gqk s ILE 359 Ca 0.21 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 59.73 1gqk s ILE 359 Cb -0.15 -1.80 0.09 0.00 0.01 0.00 0.00 42.46 40.60 1gqk s ILE 359 CO 0.14 0.56 1.17 -0.54 0.00 0.00 0.00 174.94 176.27 1gqk s LYS 360 N 0.33 1.69 0.42 2.79 1.02 -1.26 -0.04 119.74 124.69 1gqk s LYS 360 Ca -0.18 1.60 0.10 0.00 0.02 0.00 0.00 55.97 57.51 1gqk s LYS 360 Cb -0.18 -1.80 0.94 0.00 -0.52 0.00 0.00 37.83 36.27 1gqk s LYS 360 CO 0.09 -2.14 2.01 -2.95 -0.92 0.00 0.00 175.35 171.44 1gqk h ASN 361 N -1.05 0.43 -2.96 2.83 -1.07 -1.89 -3.41 115.58 108.45 1gqk h ASN 361 Ca -0.45 -0.00 -0.50 0.00 0.07 0.00 0.00 56.30 55.42 1gqk h ASN 361 Cb 1.28 -0.09 -0.14 0.00 -2.07 0.00 0.00 38.32 37.30 1gqk h ASN 361 CO 0.46 0.28 -0.62 -0.83 0.07 0.00 0.00 177.43 176.79 1gqk s GLY 362 N -3.73 2.06 0.00 9.14 0.00 -1.26 -0.99 107.32 112.53 1gqk s GLY 362 Ca -0.08 -2.05 0.29 0.00 0.00 0.00 0.00 44.72 42.89 1gqk s GLY 362 CO 0.74 -1.86 1.97 -1.55 0.00 0.00 0.00 173.10 172.40 1gqk n PRO 363 N -0.69 0.29 0.00 2.90 -0.04 -1.26 -4.54 135.00 131.66 1gqk n PRO 363 Ca -0.03 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1gqk n PRO 363 Cb 0.66 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1gqk n PRO 363 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1gqk n ILE 364 N -1.34 0.00 -2.70 0.52 2.08 -1.26 -4.68 119.36 111.98 1gqk n ILE 364 Ca 0.11 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.36 1gqk n ILE 364 Cb 0.28 -0.42 0.07 0.00 -0.75 0.00 0.00 39.64 38.82 1gqk n ILE 364 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1gqk n ASP 365 N 0.00 -2.03 -2.18 4.38 2.03 -1.26 -5.00 116.55 112.48 1gqk n ASP 365 Ca 0.00 -2.50 -0.15 0.00 0.52 0.00 0.00 54.79 52.66 1gqk n ASP 365 Cb 0.00 1.25 -0.02 0.00 -0.72 0.00 0.00 41.12 41.63 1gqk n ASP 365 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1gqk n PHE 366 N 1.53 -1.03 -1.66 -0.67 3.72 -1.26 -4.94 117.46 113.15 1gqk n PHE 366 Ca 0.05 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.12 1gqk n PHE 366 Cb 0.67 -3.08 0.06 0.00 -0.94 0.00 0.00 39.48 36.19 1gqk n PHE 366 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1gqk s GLN 367 N -4.61 2.62 0.36 -1.08 -1.52 -1.26 -4.80 119.66 109.38 1gqk s GLN 367 Ca 0.00 1.46 0.16 0.00 -1.95 0.00 0.00 55.36 55.03 1gqk s GLN 367 Cb 0.00 -1.92 1.09 0.00 -0.22 0.00 0.00 33.01 31.96 1gqk s GLN 367 CO 0.00 -1.40 1.69 -1.35 -0.25 0.00 0.00 175.29 173.98 1gqk h PRO 368 N -0.10 0.35 -3.57 2.91 0.11 -1.92 -3.34 132.00 126.44 1gqk h PRO 368 Ca -0.47 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.32 1gqk h PRO 368 Cb 1.26 -0.08 -0.34 0.00 0.11 0.00 0.00 31.00 31.95 1gqk h PRO 368 CO 0.53 0.23 -0.73 0.50 -0.21 0.00 0.00 178.00 178.32 1gqk s ARG 369 N -5.61 0.02 0.05 1.05 3.52 -1.26 -4.90 118.95 111.82 1gqk s ARG 369 Ca -0.10 0.16 0.03 0.00 -0.13 0.00 0.00 55.73 55.70 1gqk s ARG 369 Cb 0.29 -0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.37 1gqk s ARG 369 CO 0.80 -0.15 -0.10 -1.21 -0.81 0.00 0.00 175.30 173.82 1gqk s GLU 370 N 1.02 0.63 0.89 5.12 2.02 -1.26 -4.97 118.70 122.14 1gqk s GLU 370 Ca -0.09 -0.81 -0.11 0.00 0.02 0.00 0.00 54.97 53.98 1gqk s GLU 370 Cb -0.13 -0.48 0.12 0.00 0.10 0.00 0.00 34.13 33.75 1gqk s GLU 370 CO -0.03 0.10 1.09 -1.25 0.02 0.00 0.00 175.26 175.19 1gqk s PRO 371 N -1.61 1.32 0.51 0.39 0.04 -1.26 -4.85 135.00 129.54 1gqk s PRO 371 Ca -0.07 1.00 -0.22 0.00 0.04 0.00 0.00 61.00 61.75 1gqk s PRO 371 Cb -0.10 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 1gqk s PRO 371 CO 0.01 -2.25 1.23 -0.59 0.04 0.00 0.00 177.00 175.44 1gqk s PHE 372 N -2.86 2.62 -0.06 0.56 -0.12 -1.26 -4.21 117.98 112.65 1gqk s PHE 372 Ca 0.64 1.48 -0.29 0.00 -0.05 0.00 0.00 56.93 58.70 1gqk s PHE 372 Cb -0.19 -3.52 -0.08 0.00 -0.63 0.00 0.00 43.02 38.60 1gqk s PHE 372 CO 0.57 -2.04 2.07 0.43 -0.05 0.00 0.00 175.22 176.20 1gqk n SER 373 N -0.82 3.83 0.04 1.98 7.64 -0.16 -4.68 113.62 121.44 1gqk n SER 373 Ca 0.09 0.64 0.20 0.00 1.01 0.00 0.00 58.87 60.81 1gqk n SER 373 Cb 0.47 -1.54 0.72 0.00 -1.01 0.00 0.00 64.21 62.86 1gqk n SER 373 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gqk h ALA 374 N 12.27 2.34 -0.94 -0.43 0.00 -1.91 -1.26 119.26 129.33 1gqk h ALA 374 Ca -0.47 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 54.61 1gqk h ALA 374 Cb 1.24 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1gqk h ALA 374 CO 0.95 -0.63 0.60 -0.07 0.00 0.00 0.00 179.25 180.10 1gqk h LEU 375 N 0.00 0.61 -1.50 0.00 3.38 -1.90 -1.79 115.31 114.11 1gqk h LEU 375 Ca 0.23 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.32 1gqk h LEU 375 Cb 0.99 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1gqk h LEU 375 CO -0.00 0.26 0.42 -0.26 0.09 0.00 0.00 178.44 178.94 1gqk h PHE 376 N 0.62 0.61 -0.00 1.13 0.04 -1.60 -1.64 116.94 116.09 1gqk h PHE 376 Ca 0.50 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.29 1gqk h PHE 376 Cb 0.95 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.90 1gqk h PHE 376 CO -0.00 0.32 -0.67 0.00 -0.60 0.00 0.00 178.31 177.36 1gqk n ALA 377 N -2.48 3.99 -0.07 2.45 0.00 -0.71 -4.45 120.51 119.24 1gqk n ALA 377 Ca 0.09 -0.49 -0.06 0.00 0.00 0.00 0.00 53.44 52.98 1gqk n ALA 377 Cb 0.25 -0.94 -0.11 0.00 0.00 0.00 0.00 19.45 18.64 1gqk n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gqk n GLY 378 N 1.47 -0.71 3.58 0.00 0.00 -0.88 -4.82 105.19 103.83 1gqk n GLY 378 Ca 0.06 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1gqk n GLY 378 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1gqk s MET 379 N -2.41 3.69 0.00 1.61 -1.94 -0.67 -4.89 119.30 114.69 1gqk s MET 379 Ca -0.07 0.28 0.12 0.00 -1.71 0.00 0.00 55.69 54.31 1gqk s MET 379 Cb 0.05 -3.84 -0.03 0.00 2.01 0.00 0.00 34.83 33.02 1gqk s MET 379 CO 0.60 -0.95 0.68 -1.13 -0.01 0.00 0.00 175.02 174.21 1gqk n SER 380 N 6.61 1.22 -0.72 3.03 3.41 -1.26 -4.58 113.62 121.34 1gqk n SER 380 Ca 0.04 -1.11 0.04 0.00 -0.26 0.00 0.00 58.87 57.58 1gqk n SER 380 Cb 0.48 0.57 0.07 0.00 -0.26 0.00 0.00 64.21 65.08 1gqk n SER 380 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gqk n ARG 381 N -0.41 0.57 -4.06 4.33 1.74 -1.26 -4.84 116.66 112.72 1gqk n ARG 381 Ca 0.05 -2.06 -0.16 0.00 -0.77 0.00 0.00 57.85 54.91 1gqk n ARG 381 Cb 0.25 -0.78 -0.15 0.00 -1.02 0.00 0.00 32.46 30.76 1gqk n ARG 381 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1gqk s THR 382 N -1.21 0.30 0.27 0.55 2.01 -1.26 -3.46 115.64 112.84 1gqk s THR 382 Ca 0.24 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 1gqk s THR 382 Cb 0.24 -0.29 -0.10 0.00 0.01 0.00 0.00 72.50 72.36 1gqk s THR 382 CO -0.06 0.11 1.42 0.20 -0.69 0.00 0.00 174.62 175.60 1gqk s ASN 383 N 0.22 6.66 0.12 3.53 0.01 -1.26 -4.94 114.94 119.27 1gqk s ASN 383 Ca -0.02 2.70 0.05 0.00 -0.71 0.00 0.00 52.86 54.88 1gqk s ASN 383 Cb -0.05 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 1gqk s ASN 383 CO -0.00 -0.68 -0.12 -0.04 -1.51 0.00 0.00 177.10 174.75 1gqk s MET 384 N -0.78 0.98 0.04 -0.60 -1.94 -1.26 -0.85 119.30 114.89 1gqk s MET 384 Ca 0.57 -1.27 -0.08 0.00 -1.71 0.00 0.00 55.69 53.20 1gqk s MET 384 Cb -0.42 -0.73 -0.00 0.00 2.01 0.00 0.00 34.83 35.69 1gqk s MET 384 CO 0.47 0.12 0.16 0.00 -0.01 0.00 0.00 175.02 175.75 1gqk s MET 385 N -2.97 0.64 0.20 2.03 0.23 -0.25 -4.00 119.30 115.18 1gqk s MET 385 Ca 0.10 -0.67 -0.15 0.00 -1.03 0.00 0.00 55.69 53.94 1gqk s MET 385 Cb -0.03 0.26 -0.08 0.00 -1.53 0.00 0.00 34.83 33.46 1gqk s MET 385 CO 0.02 -0.18 0.62 1.41 -2.03 0.00 0.00 175.02 174.86 1gqk s MET 386 N -2.54 4.04 -0.21 3.16 1.75 -0.93 -0.94 119.30 123.63 1gqk s MET 386 Ca -0.05 0.60 0.02 0.00 -1.25 0.00 0.00 55.69 55.00 1gqk s MET 386 Cb -0.01 -2.83 0.04 0.00 2.84 0.00 0.00 34.83 34.87 1gqk s MET 386 CO -0.04 0.40 -0.12 -2.00 -0.65 0.00 0.00 175.02 172.61 1gqk s GLU 387 N -2.18 2.28 0.15 4.11 2.12 0.94 0.24 118.70 126.36 1gqk s GLU 387 Ca 0.42 -1.00 0.06 0.00 0.36 0.00 0.00 54.97 54.81 1gqk s GLU 387 Cb -0.14 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 1gqk s GLU 387 CO 0.20 -0.43 0.06 -0.06 -0.54 0.00 0.00 175.26 174.49 1gqk s PHE 388 N 1.28 3.02 -0.17 5.30 2.99 -0.08 -2.51 117.98 127.81 1gqk s PHE 388 Ca -0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 56.93 56.80 1gqk s PHE 388 Cb -0.17 -1.48 -0.03 0.00 0.00 0.00 0.00 43.02 41.34 1gqk s PHE 388 CO -0.08 0.51 0.02 -1.14 -0.00 0.00 0.00 175.22 174.53 1gqk s GLN 389 N -2.85 3.82 -0.25 0.44 0.74 -1.26 -1.23 119.66 119.07 1gqk s GLN 389 Ca 0.29 -0.43 -0.10 0.00 0.05 0.00 0.00 55.36 55.16 1gqk s GLN 389 Cb -0.10 -3.09 -0.11 0.00 1.10 0.00 0.00 33.01 30.81 1gqk s GLN 389 CO 0.21 0.23 -0.31 -0.89 -0.55 0.00 0.00 175.29 173.99 1gqk n ILE 390 N 3.61 1.37 -1.71 -2.34 -0.00 -0.21 -4.91 119.36 115.17 1gqk n ILE 390 Ca -0.17 -0.37 -0.42 0.00 -0.00 0.00 0.00 62.75 61.79 1gqk n ILE 390 Cb 0.52 -1.76 0.00 0.00 -0.00 0.00 0.00 39.64 38.40 1gqk n ILE 390 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1gqk n THR 391 N -3.98 2.22 -1.91 1.39 5.66 -0.76 -4.82 114.28 112.08 1gqk n THR 391 Ca -0.48 -0.50 -0.37 0.00 -3.05 0.00 0.00 64.05 59.65 1gqk n THR 391 Cb 0.86 -1.62 -0.02 0.00 -1.55 0.00 0.00 70.33 68.01 1gqk n THR 391 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gqk n GLN 392 N 0.34 4.07 -0.34 1.09 6.02 -1.26 -4.64 117.38 122.66 1gqk n GLN 392 Ca 0.05 -3.28 0.07 0.00 -0.01 0.00 0.00 57.00 53.84 1gqk n GLN 392 Cb 0.38 -2.49 0.24 0.00 1.02 0.00 0.00 30.24 29.39 1gqk n GLN 392 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1gqk h GLU 393 N 4.12 0.84 -0.06 -1.09 4.81 -1.89 0.13 114.58 121.45 1gqk h GLU 393 Ca 0.61 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 1gqk h GLU 393 Cb 0.40 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1gqk h GLU 393 CO 1.30 0.56 0.00 0.66 -0.73 0.00 0.00 179.01 180.79 1gqk n TYR 394 N -4.70 0.07 -0.95 0.92 4.01 -1.26 -4.54 117.16 110.70 1gqk n TYR 394 Ca 0.18 -0.15 0.09 0.00 -0.16 0.00 0.00 57.90 57.86 1gqk n TYR 394 Cb 0.39 -0.01 0.16 0.00 -0.31 0.00 0.00 39.34 39.56 1gqk n TYR 394 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1gqk n PHE 395 N 0.21 0.22 0.00 -0.72 3.72 -1.07 -4.80 117.46 115.02 1gqk n PHE 395 Ca 0.04 -0.92 0.00 0.00 -0.05 0.00 0.00 57.45 56.52 1gqk n PHE 395 Cb 0.20 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1gqk n PHE 395 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gqk n GLY 396 N -1.12 1.92 7.00 1.37 0.00 -0.99 -4.58 105.19 108.79 1gqk n GLY 396 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1gqk n GLY 396 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gqk n PHE 397 N -0.76 0.00 -0.32 1.61 3.01 0.41 -1.77 117.46 119.65 1gqk n PHE 397 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 1gqk n PHE 397 Cb 0.00 0.00 0.26 0.00 -0.01 0.00 0.00 39.48 39.73 1gqk n PHE 397 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1gqk n ALA 398 N 10.94 2.34 0.21 4.37 0.00 -1.26 -4.44 120.51 132.67 1gqk n ALA 398 Ca 0.00 -1.27 0.07 0.00 0.00 0.00 0.00 53.44 52.24 1gqk n ALA 398 Cb 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 19.45 18.61 1gqk n ALA 398 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1gqk n THR 399 N 1.16 0.00 -4.06 0.00 -2.24 -0.73 -4.10 114.28 104.31 1gqk n THR 399 Ca 0.20 -0.28 -0.35 0.00 -2.27 0.00 0.00 64.05 61.35 1gqk n THR 399 Cb 0.57 0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 69.17 1gqk n THR 399 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1gqk s HIS 400 N -2.76 3.41 -0.32 4.78 3.76 -1.04 -4.02 115.29 119.11 1gqk s HIS 400 Ca -0.02 0.34 -0.21 0.00 -0.15 0.00 0.00 55.06 55.02 1gqk s HIS 400 Cb 0.09 -1.84 -0.00 0.00 1.11 0.00 0.00 32.58 31.95 1gqk s HIS 400 CO 0.58 0.61 0.67 -1.17 -0.85 0.00 0.00 174.74 174.58 1gqk s LEU 401 N -1.32 4.15 -0.45 0.89 0.20 -1.26 -4.89 118.68 116.00 1gqk s LEU 401 Ca 0.18 0.42 0.05 0.00 0.69 0.00 0.00 54.13 55.48 1gqk s LEU 401 Cb -0.12 -2.87 0.18 0.00 -0.43 0.00 0.00 46.19 42.95 1gqk s LEU 401 CO 0.08 -0.54 0.53 0.00 -0.29 0.00 0.00 176.35 176.14 1gqk s ALA 402 N 2.72 -0.67 0.10 5.97 0.00 -1.26 -4.79 121.76 123.82 1gqk s ALA 402 Ca 0.27 -1.16 -0.32 0.00 0.00 0.00 0.00 51.96 50.75 1gqk s ALA 402 Cb -0.15 -2.23 -0.11 0.00 0.00 0.00 0.00 23.12 20.63 1gqk s ALA 402 CO 0.13 -2.13 1.83 0.98 0.00 0.00 0.00 175.76 176.57 1gqk n TYR 403 N 3.21 2.56 1.16 0.00 9.36 -1.26 -4.87 117.16 127.32 1gqk n TYR 403 Ca 0.20 -0.12 0.12 0.00 3.32 0.00 0.00 57.90 61.43 1gqk n TYR 403 Cb 0.52 -2.72 0.24 0.00 -0.63 0.00 0.00 39.34 36.75 1gqk n TYR 403 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1gqk n GLN 404 N 5.71 0.98 -0.30 2.98 1.13 -1.26 -4.04 117.38 122.58 1gqk n GLN 404 Ca 0.19 -0.68 0.03 0.00 -1.94 0.00 0.00 57.00 54.60 1gqk n GLN 404 Cb 0.36 -1.49 0.11 0.00 0.11 0.00 0.00 30.24 29.34 1gqk n GLN 404 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1gqk h GLY 405 N 4.90 0.63 1.92 1.08 0.00 -1.87 -0.98 103.07 108.74 1gqk h GLY 405 Ca 0.00 0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 1gqk h GLY 405 CO 0.00 -0.32 -0.23 -2.55 0.00 0.00 0.00 176.54 173.44 1gqk h PRO 406 N 0.00 0.10 -0.19 4.80 0.11 -1.91 0.98 132.00 135.89 1gqk h PRO 406 Ca 0.41 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.44 1gqk h PRO 406 Cb 0.63 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 1gqk h PRO 406 CO -0.87 0.33 -0.08 1.25 -0.21 0.00 0.00 178.00 178.42 1gqk h LEU 407 N 0.09 0.39 -0.14 2.35 6.46 -1.50 -1.38 115.31 121.58 1gqk h LEU 407 Ca 0.02 -0.40 -0.00 0.00 -0.12 0.00 0.00 57.88 57.37 1gqk h LEU 407 Cb 0.46 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1gqk h LEU 407 CO 0.03 0.71 0.08 -0.26 -0.62 0.00 0.00 178.44 178.38 1gqk h PHE 408 N 0.08 0.20 -0.26 1.25 0.04 -1.11 -1.78 116.94 115.36 1gqk h PHE 408 Ca 0.04 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.81 1gqk h PHE 408 Cb 0.55 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 1gqk h PHE 408 CO 0.06 0.21 0.16 1.49 -0.60 0.00 0.00 178.31 179.63 1gqk h GLU 409 N 0.13 0.32 -0.47 1.51 4.81 -0.80 -0.46 114.58 119.63 1gqk h GLU 409 Ca 0.05 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1gqk h GLU 409 Cb 0.08 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.32 1gqk h GLU 409 CO -0.01 0.21 0.07 1.49 -0.73 0.00 0.00 179.01 180.04 1gqk h GLU 410 N 0.33 0.19 0.45 1.92 4.81 -1.09 0.83 114.58 122.01 1gqk h GLU 410 Ca 0.10 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1gqk h GLU 410 Cb -0.02 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1gqk h GLU 410 CO -0.04 0.13 -0.25 0.77 -0.73 0.00 0.00 179.01 178.89 1gqk h SER 411 N 0.20 -0.62 -0.19 1.04 0.02 -1.07 -2.56 113.55 110.36 1gqk h SER 411 Ca 0.23 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1gqk h SER 411 Cb 0.32 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1gqk h SER 411 CO -0.33 -0.41 -0.01 -0.07 -1.14 0.00 0.00 176.83 174.88 1gqk h LEU 412 N -0.65 0.43 -1.40 5.07 3.38 -0.46 -1.98 115.31 119.70 1gqk h LEU 412 Ca -0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1gqk h LEU 412 Cb 0.53 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1gqk h LEU 412 CO 0.07 0.50 0.00 0.29 0.09 0.00 0.00 178.44 179.39 1gqk n LYS 413 N -4.30 1.90 -2.24 1.13 5.02 0.23 -1.06 118.16 118.85 1gqk n LYS 413 Ca 0.01 -1.38 -0.42 0.00 -2.02 0.00 0.00 58.31 54.50 1gqk n LYS 413 Cb 0.23 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 1gqk n LYS 413 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1gqk s THR 414 N -1.62 3.79 -0.02 -0.18 2.01 -0.74 -4.83 115.64 114.04 1gqk s THR 414 Ca 0.31 1.13 -0.30 0.00 0.31 0.00 0.00 61.69 63.14 1gqk s THR 414 Cb 0.17 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1gqk s THR 414 CO 0.24 -0.02 1.13 -0.70 -0.69 0.00 0.00 174.62 174.57 1gqk s GLU 415 N 2.66 4.42 -0.02 4.92 2.56 -1.26 -1.86 118.70 130.12 1gqk s GLU 415 Ca 0.63 1.61 0.20 0.00 0.00 0.00 0.00 54.97 57.41 1gqk s GLU 415 Cb -0.30 -3.48 -0.28 0.00 2.00 0.00 0.00 34.13 32.07 1gqk s GLU 415 CO 0.25 -0.30 0.58 0.25 -0.56 0.00 0.00 175.26 175.48 1gqk n THR 416 N 4.29 0.00 -2.25 -1.70 -2.24 -0.34 -4.96 114.28 107.08 1gqk n THR 416 Ca 0.09 -0.31 -0.15 0.00 -2.27 0.00 0.00 64.05 61.41 1gqk n THR 416 Cb 0.48 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 69.08 1gqk n THR 416 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1gqk n HIS 417 N -1.93 -1.09 -0.23 4.78 -0.00 -1.25 -4.59 115.22 110.91 1gqk n HIS 417 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.66 1gqk n HIS 417 Cb 0.44 -3.12 0.10 0.00 -0.00 0.00 0.00 29.99 27.41 1gqk n HIS 417 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1gqk h ALA 418 N 0.92 1.07 -1.47 -1.41 0.00 -1.88 -3.36 119.26 113.14 1gqk h ALA 418 Ca -0.36 -0.21 -0.43 0.00 0.00 0.00 0.00 54.91 53.91 1gqk h ALA 418 Cb 1.22 -0.27 -0.30 0.00 0.00 0.00 0.00 17.79 18.44 1gqk h ALA 418 CO 0.44 0.63 -0.85 -2.13 0.00 0.00 0.00 179.25 177.34 1gqk n ARG 419 N -4.26 0.58 0.00 0.00 0.63 -1.26 -5.07 116.66 107.28 1gqk n ARG 419 Ca 0.06 -2.69 0.00 0.00 -0.92 0.00 0.00 57.85 54.30 1gqk n ARG 419 Cb 0.22 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.72 1gqk n ARG 419 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1gqk n GLY 420 N 2.00 -1.65 3.77 5.14 0.00 -1.26 -4.68 105.19 108.51 1gqk n GLY 420 Ca 0.20 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 1gqk n GLY 420 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gqk s GLU 421 N -1.61 3.63 0.00 1.61 2.12 -1.26 -2.91 118.70 120.28 1gqk s GLU 421 Ca 0.00 1.78 0.00 0.00 0.36 0.00 0.00 54.97 57.11 1gqk s GLU 421 Cb 0.00 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 32.07 1gqk s GLU 421 CO 0.00 -0.66 0.00 0.41 -0.54 0.00 0.00 175.26 174.47 1gqk n GLY 422 N 0.42 0.77 2.30 -1.50 0.00 -1.26 -4.96 105.19 100.95 1gqk n GLY 422 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1gqk n GLY 422 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gqk n SER 423 N 0.00 7.51 -4.80 1.61 7.64 -1.15 -4.79 113.62 119.64 1gqk n SER 423 Ca 0.00 -2.77 -0.31 0.00 1.01 0.00 0.00 58.87 56.80 1gqk n SER 423 Cb 0.00 -1.44 0.06 0.00 -1.01 0.00 0.00 64.21 61.83 1gqk n SER 423 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1gqk s THR 424 N 0.52 3.79 0.23 0.44 -4.23 -1.26 -1.20 115.64 113.94 1gqk s THR 424 Ca 0.64 0.58 -0.06 0.00 -1.18 0.00 0.00 61.69 61.67 1gqk s THR 424 Cb 0.24 -3.24 0.20 0.00 1.34 0.00 0.00 72.50 71.04 1gqk s THR 424 CO -0.08 -0.76 1.85 0.40 -0.54 0.00 0.00 174.62 175.49 1gqk h ILE 425 N -0.86 1.05 -0.60 2.99 1.08 -1.37 0.12 117.51 119.92 1gqk h ILE 425 Ca -0.44 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 63.70 1gqk h ILE 425 Cb 1.22 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 1gqk h ILE 425 CO 0.55 0.17 0.36 1.23 -0.69 0.00 0.00 178.15 179.77 1gqk h GLY 426 N 0.95 0.88 1.41 5.37 0.00 -1.36 0.16 103.07 110.49 1gqk h GLY 426 Ca 0.35 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1gqk h GLY 426 CO -0.16 0.36 -0.08 3.43 0.00 0.00 0.00 176.54 180.09 1gqk h ASN 427 N 0.82 0.69 -0.01 0.19 2.35 -1.58 -0.56 115.58 117.47 1gqk h ASN 427 Ca 0.22 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1gqk h ASN 427 Cb -0.00 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 1gqk h ASN 427 CO -0.04 0.81 0.01 0.40 -1.65 0.00 0.00 177.43 176.95 1gqk h ILE 428 N 0.65 1.12 -0.85 2.81 2.04 -0.22 -2.84 117.51 120.23 1gqk h ILE 428 Ca 0.12 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.65 1gqk h ILE 428 Cb 0.52 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 1gqk h ILE 428 CO 0.03 0.09 0.56 -0.07 0.00 0.00 0.00 178.15 178.76 1gqk h LEU 429 N -0.12 0.95 -2.65 1.44 3.38 -0.39 -1.04 115.31 116.89 1gqk h LEU 429 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1gqk h LEU 429 Cb 0.14 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1gqk h LEU 429 CO -0.00 0.67 0.00 -0.08 0.09 0.00 0.00 178.44 179.12 1gqk h GLU 430 N 1.12 0.00 0.00 1.13 4.81 -0.99 -3.40 114.58 117.25 1gqk h GLU 430 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1gqk h GLU 430 Cb -0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1gqk h GLU 430 CO -0.08 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.61 1gqk n GLY 431 N -0.93 0.65 0.19 1.92 0.00 -0.39 -4.95 105.19 101.67 1gqk n GLY 431 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1gqk n GLY 431 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqk h LYS 432 N 4.39 0.00 0.00 1.61 1.57 -1.72 -0.26 116.57 122.16 1gqk h LYS 432 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1gqk h LYS 432 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1gqk h LYS 432 CO 0.00 0.28 -0.00 0.28 -0.57 0.00 0.00 179.45 179.44 1gqk h VAL 433 N 0.00 1.67 -0.01 0.50 2.07 -1.82 -3.38 116.25 115.28 1gqk h VAL 433 Ca -0.00 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.32 1gqk h VAL 433 Cb 1.04 3.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.94 1gqk h VAL 433 CO 0.04 0.56 -0.24 0.49 0.02 0.00 0.00 177.57 178.43 1gqk n PHE 434 N -4.64 0.00 -2.99 1.57 3.72 -1.25 -5.00 117.46 108.87 1gqk n PHE 434 Ca -0.09 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.18 1gqk n PHE 434 Cb 0.44 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.04 1gqk n PHE 434 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1gqk n LYS 435 N 0.20 -1.89 -3.47 -1.08 4.76 -0.13 -4.86 118.16 111.71 1gqk n LYS 435 Ca 0.08 0.78 -0.21 0.00 -2.87 0.00 0.00 58.31 56.09 1gqk n LYS 435 Cb 0.37 -5.22 -0.01 0.00 -1.84 0.00 0.00 35.03 28.33 1gqk n LYS 435 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1gqk s THR 436 N -3.32 2.45 -0.23 -0.18 -4.23 -1.11 -5.06 115.64 103.97 1gqk s THR 436 Ca 0.37 -1.27 0.01 0.00 -1.18 0.00 0.00 61.69 59.62 1gqk s THR 436 Cb -0.05 -2.72 -0.15 0.00 1.34 0.00 0.00 72.50 70.93 1gqk s THR 436 CO 0.64 0.00 -0.20 0.54 -0.54 0.00 0.00 174.62 175.05 1gqk n ARG 437 N -1.73 0.56 -3.89 3.99 1.74 -1.26 -4.81 116.66 111.26 1gqk n ARG 437 Ca 0.05 0.13 -0.36 0.00 -0.77 0.00 0.00 57.85 56.91 1gqk n ARG 437 Cb 0.62 -1.45 -0.13 0.00 -1.02 0.00 0.00 32.46 30.48 1gqk n ARG 437 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1gqk s HIS 438 N -2.45 3.05 0.27 -1.55 3.76 -1.26 -5.02 115.29 112.09 1gqk s HIS 438 Ca -0.31 -0.50 0.10 0.00 -0.15 0.00 0.00 55.06 54.20 1gqk s HIS 438 Cb 0.08 -2.16 -0.05 0.00 1.11 0.00 0.00 32.58 31.56 1gqk s HIS 438 CO 0.52 -0.33 -0.15 0.95 -0.85 0.00 0.00 174.74 174.87 1gqk s THR 439 N 1.35 2.17 0.00 1.30 -4.23 -1.26 -4.29 115.64 110.68 1gqk s THR 439 Ca 0.05 -2.30 0.00 0.00 -1.18 0.00 0.00 61.69 58.26 1gqk s THR 439 Cb -0.15 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1gqk s THR 439 CO 0.02 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1gqk n GLY 440 N -0.59 -0.89 3.27 3.99 0.00 -1.26 -1.27 105.19 108.45 1gqk n GLY 440 Ca -0.06 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1gqk n GLY 440 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1gqk s MET 441 N -2.00 0.42 0.00 1.61 1.75 -0.48 -2.20 119.30 118.41 1gqk s MET 441 Ca 0.00 0.66 0.08 0.00 -1.25 0.00 0.00 55.69 55.18 1gqk s MET 441 Cb 0.00 0.10 -0.02 0.00 2.84 0.00 0.00 34.83 37.75 1gqk s MET 441 CO 0.00 -0.11 -0.25 0.00 -0.65 0.00 0.00 175.02 174.02 1gqk s ALA 442 N 0.79 2.08 -0.14 4.11 0.00 0.14 -1.59 121.76 127.14 1gqk s ALA 442 Ca -0.05 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1gqk s ALA 442 Cb -0.06 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.60 1gqk s ALA 442 CO -0.06 0.50 -0.08 0.20 0.00 0.00 0.00 175.76 176.33 1gqk s GLY 443 N -0.81 0.94 -0.77 0.00 0.00 -0.85 -0.90 107.32 104.93 1gqk s GLY 443 Ca 0.10 -0.74 -0.26 0.00 0.00 0.00 0.00 44.72 43.82 1gqk s GLY 443 CO 0.00 0.82 1.32 0.14 0.00 0.00 0.00 173.10 175.38 1gqk s VAL 444 N 1.63 3.73 -0.13 1.40 1.01 -0.36 -0.55 120.40 127.13 1gqk s VAL 444 Ca 0.03 0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.37 1gqk s VAL 444 Cb -0.14 -4.91 -0.23 0.00 0.00 0.00 0.00 36.38 31.10 1gqk s VAL 444 CO -0.08 -1.84 0.32 2.30 0.00 0.00 0.00 175.10 175.80 1gqk n ILE 445 N 6.47 1.55 -4.24 2.22 -5.35 -0.67 -1.04 119.36 118.31 1gqk n ILE 445 Ca 0.07 -0.77 -0.31 0.00 -0.27 0.00 0.00 62.75 61.48 1gqk n ILE 445 Cb 0.49 -1.00 -0.08 0.00 -1.74 0.00 0.00 39.64 37.32 1gqk n ILE 445 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1gqk n ASN 446 N -3.04 0.40 -4.01 7.28 3.02 -1.24 -3.93 115.26 113.74 1gqk n ASN 446 Ca -0.28 -1.23 -0.30 0.00 -0.03 0.00 0.00 54.58 52.74 1gqk n ASN 446 Cb 1.08 -1.87 0.20 0.00 -0.61 0.00 0.00 39.78 38.58 1gqk n ASN 446 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1gqk s PRO 447 N -7.23 0.08 0.00 3.52 0.04 -1.26 -4.38 135.00 125.76 1gqk s PRO 447 Ca 0.03 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.73 1gqk s PRO 447 Cb -0.02 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1gqk s PRO 447 CO 0.98 -2.80 0.00 0.41 0.04 0.00 0.00 177.00 175.62 1gqk n GLY 448 N -3.02 2.48 0.00 0.56 0.00 -0.53 -4.69 105.19 100.00 1gqk n GLY 448 Ca 0.15 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 45.24 1gqk n GLY 448 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gqk n THR 449 N 0.00 0.44 -1.62 2.61 -2.24 -0.03 -4.33 114.28 109.11 1gqk n THR 449 Ca 0.00 0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.48 1gqk n THR 449 Cb 0.00 -0.83 0.02 0.00 -2.10 0.00 0.00 70.33 67.42 1gqk n THR 449 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gqk n ASP 450 N -1.25 1.36 -0.29 3.42 9.92 -0.84 -4.82 116.55 124.04 1gqk n ASP 450 Ca 0.09 1.01 0.17 0.00 -0.53 0.00 0.00 54.79 55.53 1gqk n ASP 450 Cb 0.13 -1.38 0.44 0.00 -0.64 0.00 0.00 41.12 39.67 1gqk n ASP 450 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1gqk h ARG 451 N 1.46 0.52 -0.62 -1.24 9.65 -1.89 -0.29 114.38 121.97 1gqk h ARG 451 Ca -0.46 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1gqk h ARG 451 Cb 1.34 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1gqk h ARG 451 CO 0.56 0.34 0.00 0.27 2.80 0.00 0.00 179.97 183.95 1gqk n ASN 452 N -4.60 3.56 0.00 -3.80 6.94 -1.25 -3.41 115.26 112.70 1gqk n ASN 452 Ca 0.21 -2.15 0.00 0.00 -0.02 0.00 0.00 54.58 52.62 1gqk n ASN 452 Cb 0.67 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 1gqk n ASN 452 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 1gqk n TRP 453 N 1.12 0.00 0.10 -2.53 7.02 -0.12 -4.46 117.44 118.56 1gqk n TRP 453 Ca 0.21 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.70 1gqk n TRP 453 Cb 0.61 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.50 1gqk n TRP 453 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1gqk n THR 454 N 0.00 0.00 0.00 -0.99 -2.24 -1.26 -1.45 114.28 108.34 1gqk n THR 454 Ca 0.00 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1gqk n THR 454 Cb 0.00 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1gqk n THR 454 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqk n GLY 455 N 0.56 2.18 3.69 3.38 0.00 -1.26 -4.55 105.19 109.19 1gqk n GLY 455 Ca 0.01 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1gqk n GLY 455 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gqk s HIS 456 N 0.00 3.52 0.39 1.61 5.65 -1.26 -4.93 115.29 120.27 1gqk s HIS 456 Ca 0.00 1.47 0.17 0.00 0.25 0.00 0.00 55.06 56.95 1gqk s HIS 456 Cb 0.00 -3.08 1.05 0.00 -1.18 0.00 0.00 32.58 29.37 1gqk s HIS 456 CO 0.00 -0.15 1.79 -1.35 -0.65 0.00 0.00 174.74 174.38 1gqk h PRO 457 N 7.07 0.43 0.00 2.88 0.11 -1.91 -1.49 132.00 139.09 1gqk h PRO 457 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1gqk h PRO 457 Cb 1.16 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1gqk h PRO 457 CO 0.82 0.29 0.00 1.19 -0.21 0.00 0.00 178.00 180.09 1gqk n PHE 458 N -4.61 0.22 0.23 0.65 3.01 -1.26 -2.41 117.46 113.28 1gqk n PHE 458 Ca 0.24 0.07 0.07 0.00 1.01 0.00 0.00 57.45 58.83 1gqk n PHE 458 Cb 0.79 -0.61 0.54 0.00 -0.01 0.00 0.00 39.48 40.19 1gqk n PHE 458 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1gqk h VAL 459 N 0.00 0.99 -0.87 -4.37 2.07 -1.58 -2.04 116.25 110.45 1gqk h VAL 459 Ca 0.00 -0.72 0.13 0.00 0.82 0.00 0.00 66.70 66.93 1gqk h VAL 459 Cb 0.47 1.41 -0.09 0.00 -1.52 0.00 0.00 31.29 31.56 1gqk h VAL 459 CO 0.00 0.20 0.48 1.56 0.02 0.00 0.00 177.57 179.82 1gqk h GLN 460 N 0.00 0.70 -0.35 1.57 4.20 -1.62 -1.57 115.11 118.03 1gqk h GLN 460 Ca -0.00 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1gqk h GLN 460 Cb 0.39 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1gqk h GLN 460 CO 0.03 0.46 0.02 0.66 -0.67 0.00 0.00 178.83 179.33 1gqk h SER 461 N 0.72 0.50 -0.26 1.46 4.64 -1.55 0.13 113.55 119.18 1gqk h SER 461 Ca 0.45 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.60 1gqk h SER 461 Cb 0.57 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1gqk h SER 461 CO -0.32 0.55 -0.18 0.28 -0.87 0.00 0.00 176.83 176.29 1gqk h SER 462 N 0.52 0.62 -0.53 4.97 0.02 -1.33 -0.54 113.55 117.27 1gqk h SER 462 Ca 0.11 -0.44 0.02 0.00 -0.84 0.00 0.00 61.79 60.64 1gqk h SER 462 Cb 0.30 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1gqk h SER 462 CO 0.01 0.92 0.33 -0.25 -1.14 0.00 0.00 176.83 176.70 1gqk h TRP 463 N 0.31 0.63 0.25 3.45 2.91 -1.04 -0.34 115.95 122.12 1gqk h TRP 463 Ca 0.05 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.09 1gqk h TRP 463 Cb 0.72 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.15 1gqk h TRP 463 CO 0.07 0.38 -0.20 -0.92 -1.03 0.00 0.00 178.44 176.74 1gqk h TYR 464 N 0.67 -0.51 -0.72 2.65 3.20 -0.83 -2.04 116.97 119.39 1gqk h TYR 464 Ca 0.20 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1gqk h TYR 464 Cb -0.03 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1gqk h TYR 464 CO -0.05 -0.30 0.44 0.00 -1.64 0.00 0.00 178.16 176.61 1gqk h ALA 465 N 0.26 0.92 -0.26 1.82 0.00 -0.96 -1.45 119.26 119.59 1gqk h ALA 465 Ca -0.01 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1gqk h ALA 465 Cb 0.40 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1gqk h ALA 465 CO -0.01 0.39 -0.16 0.35 0.00 0.00 0.00 179.25 179.82 1gqk h PHE 466 N 0.99 -0.39 -0.55 0.00 3.57 -0.83 -0.58 116.94 119.15 1gqk h PHE 466 Ca 0.26 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 1gqk h PHE 466 Cb -0.04 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1gqk h PHE 466 CO -0.01 -0.23 -0.02 0.78 -2.23 0.00 0.00 178.31 176.60 1gqk h GLY 467 N -0.13 1.06 1.00 2.40 0.00 -1.06 -0.67 103.07 105.67 1gqk h GLY 467 Ca 0.14 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1gqk h GLY 467 CO -0.35 0.73 0.35 3.21 0.00 0.00 0.00 176.54 180.48 1gqk h ARG 468 N 0.86 0.90 0.00 4.80 2.47 -0.92 -2.34 114.38 120.15 1gqk h ARG 468 Ca 0.15 -0.11 -0.09 0.00 -1.26 0.00 0.00 59.98 58.67 1gqk h ARG 468 Cb 0.57 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1gqk h ARG 468 CO 0.03 0.69 -0.44 0.52 0.56 0.00 0.00 179.97 181.32 1gqk h MET 469 N 0.88 0.00 -0.03 0.04 2.86 -0.92 0.32 114.93 118.09 1gqk h MET 469 Ca 0.23 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.78 1gqk h MET 469 Cb 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1gqk h MET 469 CO -0.04 0.44 -0.40 0.00 1.06 0.00 0.00 176.91 177.98 1gqk h ALA 470 N 1.56 1.29 -0.01 6.32 0.00 -0.81 -2.29 119.26 125.32 1gqk h ALA 470 Ca -0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1gqk h ALA 470 Cb 0.91 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1gqk h ALA 470 CO 0.06 0.52 -0.24 2.35 0.00 0.00 0.00 179.25 181.94 1gqk h TRP 471 N 0.05 0.25 -3.01 0.00 2.91 -0.87 -3.36 115.95 111.92 1gqk h TRP 471 Ca 0.00 -0.13 -0.50 0.00 1.13 0.00 0.00 58.89 59.39 1gqk h TRP 471 Cb 0.73 -0.03 -0.40 0.00 -0.51 0.00 0.00 29.16 28.95 1gqk h TRP 471 CO 0.00 0.92 -0.76 0.34 -1.03 0.00 0.00 178.44 177.91 1gqk s ASP 472 N -6.29 2.98 0.00 2.65 -1.08 0.04 -0.75 116.67 114.23 1gqk s ASP 472 Ca -0.16 -0.96 0.12 0.00 -0.52 0.00 0.00 52.55 51.03 1gqk s ASP 472 Cb 0.01 -0.39 0.58 0.00 -1.46 0.00 0.00 42.92 41.65 1gqk s ASP 472 CO 0.74 -0.38 1.31 0.00 0.52 0.00 0.00 175.17 177.36 1gqk n HIS 473 N 5.19 0.00 1.14 -5.34 1.44 -0.87 -1.31 115.22 115.48 1gqk n HIS 473 Ca -0.07 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.77 1gqk n HIS 473 Cb 0.46 -0.34 0.21 0.00 0.12 0.00 0.00 29.99 30.44 1gqk n HIS 473 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1gqk n GLN 474 N -1.34 1.12 -1.95 -1.40 6.02 -1.26 -4.78 117.38 113.80 1gqk n GLN 474 Ca 0.05 -0.81 -0.42 0.00 -0.01 0.00 0.00 57.00 55.81 1gqk n GLN 474 Cb 0.10 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 1gqk n GLN 474 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1gqk s ILE 475 N -2.44 2.55 0.59 5.09 1.01 -0.42 -4.98 121.20 122.60 1gqk s ILE 475 Ca 0.23 0.44 -0.09 0.00 0.00 0.00 0.00 60.65 61.23 1gqk s ILE 475 Cb 0.19 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 1gqk s ILE 475 CO 0.52 0.06 0.95 -0.94 0.00 0.00 0.00 174.94 175.53 1gqk s SER 476 N 0.60 6.00 0.28 3.58 1.04 -1.26 -4.88 113.70 119.05 1gqk s SER 476 Ca 0.63 1.11 -0.02 0.00 0.48 0.00 0.00 55.95 58.15 1gqk s SER 476 Cb -0.43 -2.19 0.39 0.00 0.10 0.00 0.00 66.02 63.89 1gqk s SER 476 CO 0.41 -0.90 1.88 0.00 0.98 0.00 0.00 173.24 175.61 1gqk h ALA 477 N -0.20 1.28 -0.19 5.32 0.00 -1.94 -2.01 119.26 121.51 1gqk h ALA 477 Ca -0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1gqk h ALA 477 Cb 1.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1gqk h ALA 477 CO 0.62 0.55 0.10 0.00 0.00 0.00 0.00 179.25 180.52 1gqk h ALA 478 N 1.38 0.25 -0.20 0.00 0.00 -1.94 -1.07 119.26 117.68 1gqk h ALA 478 Ca 0.24 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1gqk h ALA 478 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1gqk h ALA 478 CO -0.03 -0.20 0.10 1.15 0.00 0.00 0.00 179.25 180.27 1gqk h THR 479 N 0.19 1.01 -0.81 0.00 2.02 -1.89 0.51 112.91 113.94 1gqk h THR 479 Ca 0.07 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1gqk h THR 479 Cb 0.10 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1gqk h THR 479 CO -0.01 0.04 0.41 0.00 0.37 0.00 0.00 175.52 176.33 1gqk h ALA 480 N 1.10 1.04 -0.53 6.16 0.00 -1.30 -1.63 119.26 124.09 1gqk h ALA 480 Ca 0.08 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1gqk h ALA 480 Cb 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1gqk h ALA 480 CO -0.05 0.58 -0.09 0.00 0.00 0.00 0.00 179.25 179.69 1gqk h ALA 481 N 1.22 0.73 -0.01 0.00 0.00 -0.89 0.18 119.26 120.48 1gqk h ALA 481 Ca 0.28 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1gqk h ALA 481 Cb 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1gqk h ALA 481 CO -0.04 0.62 -0.08 0.22 0.00 0.00 0.00 179.25 179.97 1gqk h ASP 482 N 0.87 -0.23 0.05 0.00 3.58 -0.50 -0.47 116.42 119.71 1gqk h ASP 482 Ca 0.14 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.64 1gqk h ASP 482 Cb 0.65 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 1gqk h ASP 482 CO 0.04 -0.12 -0.11 -0.33 -2.88 0.00 0.00 179.24 175.85 1gqk h GLU 483 N -0.13 -0.21 -0.70 0.28 5.08 -1.11 -2.66 114.58 115.12 1gqk h GLU 483 Ca 0.04 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1gqk h GLU 483 Cb 0.18 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1gqk h GLU 483 CO -0.09 -0.14 0.44 2.35 -1.00 0.00 0.00 179.01 180.57 1gqk h TRP 484 N -0.22 0.83 -0.60 4.33 7.01 -0.81 -0.58 115.95 125.91 1gqk h TRP 484 Ca 0.02 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.99 1gqk h TRP 484 Cb 0.24 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 1gqk h TRP 484 CO -0.15 0.48 0.17 -0.07 -2.79 0.00 0.00 178.44 176.08 1gqk h LEU 485 N 0.87 0.90 -0.46 0.65 3.38 -1.00 0.84 115.31 120.48 1gqk h LEU 485 Ca 0.28 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1gqk h LEU 485 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1gqk h LEU 485 CO -0.11 0.88 0.23 0.03 0.09 0.00 0.00 178.44 179.56 1gqk h ARG 486 N 0.87 0.65 -0.15 1.13 3.08 -1.16 0.20 114.38 119.01 1gqk h ARG 486 Ca 0.19 -0.09 -0.18 0.00 0.07 0.00 0.00 59.98 59.97 1gqk h ARG 486 Cb 0.32 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1gqk h ARG 486 CO -0.00 0.55 -0.64 0.52 -1.07 0.00 0.00 179.97 179.33 1gqk h MET 487 N 0.59 0.54 0.03 0.04 2.86 -0.91 -3.34 114.93 114.73 1gqk h MET 487 Ca 0.16 -0.38 -0.32 0.00 -2.06 0.00 0.00 59.70 57.09 1gqk h MET 487 Cb 0.10 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.78 1gqk h MET 487 CO -0.02 1.00 -1.90 2.41 1.06 0.00 0.00 176.91 179.46 1gqk n THR 488 N -3.91 1.61 0.07 2.22 -1.04 0.27 -4.31 114.28 109.19 1gqk n THR 488 Ca -0.04 -0.77 0.00 0.00 -2.04 0.00 0.00 64.05 61.20 1gqk n THR 488 Cb 0.66 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 1gqk n THR 488 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1gqk n PHE 489 N -3.10 -0.81 -3.57 -1.42 3.72 0.62 -5.02 117.46 107.88 1gqk n PHE 489 Ca -0.23 0.14 -0.11 0.00 -0.05 0.00 0.00 57.45 57.20 1gqk n PHE 489 Cb 1.06 0.22 -0.05 0.00 -0.94 0.00 0.00 39.48 39.77 1gqk n PHE 489 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1gqk s SER 490 N -5.50 -0.38 0.00 4.37 0.15 -0.69 -4.89 113.70 106.75 1gqk s SER 490 Ca 0.00 0.42 0.23 0.00 0.70 0.00 0.00 55.95 57.30 1gqk s SER 490 Cb 0.00 0.32 0.48 0.00 -1.71 0.00 0.00 66.02 65.10 1gqk s SER 490 CO 0.00 -0.35 1.44 0.59 1.20 0.00 0.00 173.24 176.11 1gqk n ASN 491 N 0.74 3.57 -4.66 5.45 3.02 -1.26 -3.55 115.26 118.57 1gqk n ASN 491 Ca -0.11 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.02 1gqk n ASN 491 Cb 0.58 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 1gqk n ASN 491 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1gqk s GLN 492 N -1.40 4.21 0.34 3.52 -1.52 -1.26 -4.90 119.66 118.64 1gqk s GLN 492 Ca 0.41 2.02 0.06 0.00 -1.95 0.00 0.00 55.36 55.90 1gqk s GLN 492 Cb 0.23 -3.87 0.73 0.00 -0.22 0.00 0.00 33.01 29.88 1gqk s GLN 492 CO 0.32 -0.77 1.89 -1.35 -0.25 0.00 0.00 175.29 175.12 1gqk h PRO 493 N 8.95 0.77 0.00 2.91 0.11 -1.99 -0.82 132.00 141.92 1gqk h PRO 493 Ca -0.36 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1gqk h PRO 493 Cb 1.16 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1gqk h PRO 493 CO 0.95 0.51 -0.05 0.00 -0.21 0.00 0.00 178.00 179.20 1gqk h ALA 494 N 1.58 1.05 0.04 -0.75 0.00 -2.01 -2.78 119.26 116.39 1gqk h ALA 494 Ca 0.42 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 55.10 1gqk h ALA 494 Cb 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1gqk h ALA 494 CO -0.19 0.06 -1.02 0.35 0.00 0.00 0.00 179.25 178.45 1gqk h PHE 495 N 0.00 0.16 -0.25 0.00 3.57 -1.59 -3.41 116.94 115.42 1gqk h PHE 495 Ca -0.00 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.42 1gqk h PHE 495 Cb 0.40 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1gqk h PHE 495 CO 0.00 1.40 0.06 0.82 -2.23 0.00 0.00 178.31 178.36 1gqk h ILE 496 N -0.75 0.90 0.71 1.41 2.04 -1.00 -2.70 117.51 118.13 1gqk h ILE 496 Ca -0.25 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1gqk h ILE 496 Cb 1.40 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1gqk h ILE 496 CO -0.06 0.03 -0.36 -0.08 0.00 0.00 0.00 178.15 177.67 1gqk h GLU 497 N 0.17 -0.95 -0.25 2.37 4.57 -1.73 0.12 114.58 118.88 1gqk h GLU 497 Ca 0.11 0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.27 1gqk h GLU 497 Cb 0.10 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1gqk h GLU 497 CO -0.14 -0.63 -0.25 -1.00 -1.18 0.00 0.00 179.01 175.81 1gqk h PRO 498 N -0.98 0.47 -0.19 0.92 0.13 -1.78 -1.68 132.00 128.89 1gqk h PRO 498 Ca -0.09 -0.17 -0.15 0.00 -0.87 0.00 0.00 66.00 64.72 1gqk h PRO 498 Cb 0.77 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1gqk h PRO 498 CO 0.14 0.68 -0.50 0.28 -0.23 0.00 0.00 178.00 178.38 1gqk h VAL 499 N 0.41 1.32 -0.29 1.56 2.07 -1.41 -0.77 116.25 119.14 1gqk h VAL 499 Ca 0.06 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 1gqk h VAL 499 Cb 0.65 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1gqk h VAL 499 CO 0.05 0.53 0.13 0.50 0.02 0.00 0.00 177.57 178.80 1gqk h LYS 500 N 0.41 0.42 -0.84 1.57 3.64 -0.53 0.65 116.57 121.88 1gqk h LYS 500 Ca 0.02 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1gqk h LYS 500 Cb 1.02 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.72 1gqk h LYS 500 CO 0.09 0.42 0.46 1.96 -2.27 0.00 0.00 179.45 180.11 1gqk h GLN 501 N 0.32 1.17 -0.41 1.90 1.08 -1.20 0.23 115.11 118.21 1gqk h GLN 501 Ca 0.10 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1gqk h GLN 501 Cb 0.14 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 1gqk h GLN 501 CO -0.01 0.87 0.26 1.98 -0.95 0.00 0.00 178.83 180.98 1gqk h MET 502 N 1.17 0.55 -0.56 1.46 4.05 -0.84 -1.26 114.93 119.50 1gqk h MET 502 Ca 0.30 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.70 1gqk h MET 502 Cb 0.04 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.68 1gqk h MET 502 CO -0.05 0.38 0.35 0.52 0.23 0.00 0.00 176.91 178.34 1gqk h MET 503 N 0.55 0.68 0.00 0.39 2.86 -0.16 -2.37 114.93 116.88 1gqk h MET 503 Ca 0.15 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 1gqk h MET 503 Cb -0.04 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1gqk h MET 503 CO -0.03 0.45 -0.36 -0.07 1.06 0.00 0.00 176.91 177.96 1gqk h LEU 504 N 0.70 0.00 0.00 1.22 3.38 -0.07 -2.66 115.31 117.88 1gqk h LEU 504 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1gqk h LEU 504 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1gqk h LEU 504 CO -0.08 0.36 -0.56 1.62 0.09 0.00 0.00 178.44 179.87 1gqk h VAL 505 N 0.00 0.00 -0.98 1.22 3.04 -1.01 -3.39 116.25 115.12 1gqk h VAL 505 Ca -0.00 -0.71 0.05 0.00 -1.01 0.00 0.00 66.70 65.03 1gqk h VAL 505 Cb 0.69 1.38 -0.06 0.00 -2.01 0.00 0.00 31.29 31.28 1gqk h VAL 505 CO 0.05 0.00 0.64 0.77 -1.01 0.00 0.00 177.57 178.02 1gqk h SER 506 N 0.00 1.05 0.04 3.17 4.64 -1.05 0.09 113.55 121.48 1gqk h SER 506 Ca 0.00 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gqk h SER 506 Cb 0.85 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1gqk h SER 506 CO 0.00 0.70 -0.02 -0.09 -0.87 0.00 0.00 176.83 176.55 1gqk h ARG 507 N 1.21 -0.05 -0.45 4.77 1.12 -1.74 -2.13 114.38 117.11 1gqk h ARG 507 Ca 0.41 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 59.22 1gqk h ARG 507 Cb 0.07 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.02 1gqk h ARG 507 CO -0.14 0.00 0.03 1.49 -3.11 0.00 0.00 179.97 178.24 1gqk h GLU 508 N -0.09 0.73 -0.49 0.20 4.57 -1.59 -0.87 114.58 117.04 1gqk h GLU 508 Ca -0.01 -0.17 0.05 0.00 -1.18 0.00 0.00 59.36 58.05 1gqk h GLU 508 Cb 0.07 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.52 1gqk h GLU 508 CO 0.01 0.72 0.22 0.00 -1.18 0.00 0.00 179.01 178.78 1gqk h ALA 509 N 1.34 0.61 0.00 2.92 0.00 -0.85 -0.65 119.26 122.63 1gqk h ALA 509 Ca 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1gqk h ALA 509 Cb 0.38 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1gqk h ALA 509 CO 0.01 -0.14 -0.11 0.78 0.00 0.00 0.00 179.25 179.79 1gqk h GLY 510 N 0.44 0.00 0.68 0.00 0.00 -0.51 -1.51 103.07 102.17 1gqk h GLY 510 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.49 1gqk h GLY 510 CO -0.18 0.00 -0.18 -2.08 0.00 0.00 0.00 176.54 174.10 1gqk h VAL 511 N 0.00 1.39 -0.29 4.60 2.07 -0.65 -3.29 116.25 120.07 1gqk h VAL 511 Ca -0.00 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.04 1gqk h VAL 511 Cb 0.22 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1gqk h VAL 511 CO 0.01 0.42 0.10 0.78 0.02 0.00 0.00 177.57 178.91 1gqk h ASN 512 N -0.14 0.40 0.29 0.57 -0.26 -0.18 0.10 115.58 116.37 1gqk h ASN 512 Ca 0.01 -0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.56 1gqk h ASN 512 Cb 0.76 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.92 1gqk h ASN 512 CO 0.04 0.48 -0.04 0.00 -1.06 0.00 0.00 177.43 176.85 1gqk n TYR 513 N -4.73 0.00 -0.07 1.19 0.18 -0.69 -3.39 117.16 109.66 1gqk n TYR 513 Ca -0.02 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.62 1gqk n TYR 513 Cb 0.14 -0.15 -0.05 0.00 -0.38 0.00 0.00 39.34 38.91 1gqk n TYR 513 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1gqk n ARG 514 N -1.00 0.32 -2.71 -3.48 1.74 -1.02 -3.92 116.66 106.59 1gqk n ARG 514 Ca 0.18 0.14 -0.04 0.00 -0.77 0.00 0.00 57.85 57.35 1gqk n ARG 514 Cb 0.22 -1.03 0.03 0.00 -1.02 0.00 0.00 32.46 30.66 1gqk n ARG 514 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1gqk n SER 515 N -3.74 -2.35 -4.33 0.55 3.41 0.32 -4.88 113.62 102.60 1gqk n SER 515 Ca -0.26 -2.08 -0.29 0.00 -0.26 0.00 0.00 58.87 55.99 1gqk n SER 515 Cb 0.63 1.24 0.16 0.00 -0.26 0.00 0.00 64.21 65.99 1gqk n SER 515 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1gqk s PRO 516 N 0.79 1.00 -1.81 4.33 0.04 -1.12 -4.08 135.00 134.15 1gqk s PRO 516 Ca 0.27 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.91 1gqk s PRO 516 Cb 0.11 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1gqk s PRO 516 CO -0.10 -2.15 0.00 1.28 0.04 0.00 0.00 177.00 176.07 1gqk n LEU 517 N -3.57 -1.06 0.00 -3.56 4.77 -1.26 -1.18 117.00 111.13 1gqk n LEU 517 Ca 0.14 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1gqk n LEU 517 Cb 0.60 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.88 1gqk n LEU 517 CO 0.47 -1.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.06 1gqk n GLY 518 N -0.13 0.37 3.73 -0.72 0.00 -1.21 -1.62 105.19 105.61 1gqk n GLY 518 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1gqk n GLY 518 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gqk s LEU 519 N 0.00 3.09 0.09 0.99 1.43 -0.33 -3.55 118.68 120.41 1gqk s LEU 519 Ca 0.00 2.07 -0.25 0.00 -1.03 0.00 0.00 54.13 54.92 1gqk s LEU 519 Cb 0.00 -4.55 0.08 0.00 0.03 0.00 0.00 46.19 41.75 1gqk s LEU 519 CO 0.00 -2.34 0.75 0.28 0.23 0.00 0.00 176.35 175.27 1gqk s THR 520 N -2.55 0.00 -1.37 5.49 -1.32 -1.26 -4.60 115.64 110.04 1gqk s THR 520 Ca 0.66 -0.08 -0.06 0.00 -1.21 0.00 0.00 61.69 61.00 1gqk s THR 520 Cb -0.22 -1.10 0.03 0.00 -1.51 0.00 0.00 72.50 69.70 1gqk s THR 520 CO 0.52 0.00 0.92 1.57 -2.21 0.00 0.00 174.62 175.42 1gqk n HIS 521 N -0.33 -2.26 -0.63 9.09 -0.00 -1.26 -4.72 115.22 115.12 1gqk n HIS 521 Ca -0.12 0.91 0.10 0.00 -0.00 0.00 0.00 57.72 58.60 1gqk n HIS 521 Cb 0.63 -4.51 0.36 0.00 -0.00 0.00 0.00 29.99 26.47 1gqk n HIS 521 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1gqk n LEU 522 N -4.51 4.78 -4.82 0.27 4.77 -1.26 -4.16 117.00 112.06 1gqk n LEU 522 Ca -0.14 -2.44 -0.33 0.00 -0.03 0.00 0.00 56.01 53.07 1gqk n LEU 522 Cb 0.61 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1gqk n LEU 522 CO 0.69 0.82 0.68 -0.31 -1.33 0.00 0.00 177.39 177.94 1gqk s TYR 523 N -1.83 3.25 0.25 -1.77 1.51 -1.26 -0.17 117.35 117.32 1gqk s TYR 523 Ca 0.51 1.54 -0.31 0.00 -1.01 0.00 0.00 57.07 57.81 1gqk s TYR 523 Cb 0.33 -2.90 -0.13 0.00 -0.11 0.00 0.00 41.96 39.15 1gqk s TYR 523 CO 0.25 -0.50 1.41 0.45 -1.11 0.00 0.00 175.55 176.05 1gqk n SER 524 N -1.25 2.85 -4.58 2.29 2.88 0.26 -4.33 113.62 111.74 1gqk n SER 524 Ca 0.08 1.15 -0.34 0.00 -1.33 0.00 0.00 58.87 58.42 1gqk n SER 524 Cb 0.54 -1.45 -0.11 0.00 -0.75 0.00 0.00 64.21 62.44 1gqk n SER 524 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1gqk s GLN 525 N -0.55 2.94 -0.18 -1.46 -1.52 -1.26 -1.09 119.66 116.54 1gqk s GLN 525 Ca 0.67 -0.53 0.16 0.00 -1.95 0.00 0.00 55.36 53.71 1gqk s GLN 525 Cb -0.63 -2.67 0.59 0.00 -0.22 0.00 0.00 33.01 30.09 1gqk s GLN 525 CO 0.51 0.59 1.50 0.41 -0.25 0.00 0.00 175.29 178.05 1gqk n GLY 526 N 2.45 3.67 0.11 3.09 0.00 -1.26 -4.90 105.19 108.35 1gqk n GLY 526 Ca -0.18 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 1gqk n GLY 526 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1gqk h ASP 527 N 2.42 0.38 -0.49 1.61 2.03 -1.96 -3.48 116.42 116.92 1gqk h ASP 527 Ca 0.00 -0.38 -0.19 0.00 -0.73 0.00 0.00 57.03 55.73 1gqk h ASP 527 Cb 1.53 -0.12 -0.07 0.00 -0.83 0.00 0.00 39.33 39.84 1gqk h ASP 527 CO 0.27 1.26 -0.17 1.41 -1.03 0.00 0.00 179.24 180.98 1gqk n HIS 528 N -3.56 -0.03 -0.07 4.15 8.25 -0.25 -4.96 115.22 118.75 1gqk n HIS 528 Ca -0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.27 1gqk n HIS 528 Cb 0.96 -1.84 -0.10 0.00 1.12 0.00 0.00 29.99 30.13 1gqk n HIS 528 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1gqk h TYR 529 N 0.00 0.00 -5.34 4.41 3.20 -1.84 -3.44 116.97 113.96 1gqk h TYR 529 Ca -0.19 0.00 -0.58 0.00 3.14 0.00 0.00 58.73 61.11 1gqk h TYR 529 Cb 0.63 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.82 1gqk h TYR 529 CO 0.26 0.84 -0.35 0.41 -1.64 0.00 0.00 178.16 177.68 1gqk n GLY 530 N 1.63 3.20 3.77 1.82 0.00 -1.26 -4.85 105.19 109.49 1gqk n GLY 530 Ca -0.10 -2.33 -0.39 0.00 0.00 0.00 0.00 46.02 43.20 1gqk n GLY 530 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gqk s PRO 531 N -3.89 4.32 -0.45 1.61 0.04 -1.26 -0.58 135.00 134.80 1gqk s PRO 531 Ca 0.14 1.89 0.07 0.00 0.04 0.00 0.00 61.00 63.14 1gqk s PRO 531 Cb -0.01 -2.93 0.32 0.00 0.04 0.00 0.00 34.50 31.93 1gqk s PRO 531 CO 0.09 -0.10 1.07 0.00 0.04 0.00 0.00 177.00 178.10 1gqk n ALA 532 N 0.60 -0.45 0.36 8.56 0.00 0.76 -4.39 120.51 125.95 1gqk n ALA 532 Ca 0.02 -1.69 0.10 0.00 0.00 0.00 0.00 53.44 51.87 1gqk n ALA 532 Cb 0.45 -1.13 0.45 0.00 0.00 0.00 0.00 19.45 19.22 1gqk n ALA 532 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1gqk n PRO 533 N 0.35 0.14 0.08 0.00 -0.04 -1.12 -1.40 135.00 133.01 1gqk n PRO 533 Ca 0.08 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.10 1gqk n PRO 533 Cb 0.70 -1.80 0.46 0.00 -0.04 0.00 0.00 33.50 32.81 1gqk n PRO 533 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1gqk n TRP 534 N -2.07 0.70 -1.69 0.54 2.14 -1.26 -4.23 117.44 111.56 1gqk n TRP 534 Ca 0.02 0.21 -0.56 0.00 2.07 0.00 0.00 57.50 59.24 1gqk n TRP 534 Cb 0.18 -0.85 -0.07 0.00 -0.81 0.00 0.00 31.31 29.76 1gqk n TRP 534 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 1gqk n THR 535 N -2.08 0.28 -3.51 -1.67 -1.04 -0.49 -4.76 114.28 101.01 1gqk n THR 535 Ca 0.05 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1gqk n THR 535 Cb 0.37 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 1gqk n THR 535 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1gqk n ASP 536 N 5.06 0.00 -3.78 8.00 4.64 -1.26 -1.24 116.55 127.97 1gqk n ASP 536 Ca 0.25 -0.94 -0.35 0.00 -1.38 0.00 0.00 54.79 52.37 1gqk n ASP 536 Cb 0.16 0.00 0.03 0.00 -1.04 0.00 0.00 41.12 40.27 1gqk n ASP 536 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1gqk n ASP 537 N -2.02 -5.05 -4.63 1.67 8.00 -1.26 -5.00 116.55 108.26 1gqk n ASP 537 Ca 0.00 -1.07 -0.24 0.00 0.71 0.00 0.00 54.79 54.19 1gqk n ASP 537 Cb 0.00 -2.85 -0.08 0.00 -0.02 0.00 0.00 41.12 38.16 1gqk n ASP 537 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1gqk s LEU 538 N -6.62 3.02 0.54 0.64 1.43 -1.26 -5.03 118.68 111.40 1gqk s LEU 538 Ca 0.45 -0.91 0.23 0.00 -1.03 0.00 0.00 54.13 52.87 1gqk s LEU 538 Cb -0.19 -1.44 1.41 0.00 0.03 0.00 0.00 46.19 46.00 1gqk s LEU 538 CO 0.89 -0.18 2.07 -0.65 0.23 0.00 0.00 176.35 178.71 1gqk h PRO 539 N 1.83 0.00 -4.78 1.29 0.11 -2.01 -3.38 132.00 125.06 1gqk h PRO 539 Ca -0.43 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.12 1gqk h PRO 539 Cb 1.25 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 32.03 1gqk h PRO 539 CO 0.65 0.00 -0.83 -0.98 -0.21 0.00 0.00 178.00 176.62 1gqk s ARG 540 N -4.95 2.11 0.36 1.05 1.70 -1.26 -5.02 118.95 112.94 1gqk s ARG 540 Ca -0.05 -0.55 0.09 0.00 -0.47 0.00 0.00 55.73 54.75 1gqk s ARG 540 Cb 0.18 -1.68 0.81 0.00 -0.57 0.00 0.00 34.95 33.69 1gqk s ARG 540 CO 0.67 0.07 1.90 0.00 -1.08 0.00 0.00 175.30 176.86 1gqk h ALA 541 N 6.91 1.82 0.00 7.88 0.00 -1.91 -1.65 119.26 132.32 1gqk h ALA 541 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1gqk h ALA 541 Cb 1.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1gqk h ALA 541 CO 0.47 -0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 1gqk n ASP 542 N -4.53 0.00 -0.09 0.00 5.75 -1.26 -1.43 116.55 114.99 1gqk n ASP 542 Ca 0.15 -0.92 0.11 0.00 -0.01 0.00 0.00 54.79 54.12 1gqk n ASP 542 Cb 0.40 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.48 1gqk n ASP 542 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1gqk n TRP 543 N -0.82 0.00 -2.32 2.11 5.03 -0.62 -5.01 117.44 115.81 1gqk n TRP 543 Ca 0.10 0.00 -0.26 0.00 3.03 0.00 0.00 57.50 60.37 1gqk n TRP 543 Cb 0.05 -0.05 0.15 0.00 -1.03 0.00 0.00 31.31 30.42 1gqk n TRP 543 CO 0.00 0.00 0.00 0.95 -0.03 0.00 0.00 177.69 178.61 1gqk s THR 544 N -2.89 2.05 -0.19 -0.99 -4.23 -0.51 -4.95 115.64 103.92 1gqk s THR 544 Ca 0.11 -0.35 -0.10 0.00 -1.18 0.00 0.00 61.69 60.17 1gqk s THR 544 Cb 0.17 -2.70 -0.21 0.00 1.34 0.00 0.00 72.50 71.10 1gqk s THR 544 CO 0.77 0.00 0.11 0.00 -0.54 0.00 0.00 174.62 174.97 1gqk n ALA 545 N -3.25 1.01 0.15 3.99 0.00 -0.37 -4.46 120.51 117.57 1gqk n ALA 545 Ca 0.16 -0.73 0.05 0.00 0.00 0.00 0.00 53.44 52.92 1gqk n ALA 545 Cb 0.60 -0.43 0.50 0.00 0.00 0.00 0.00 19.45 20.12 1gqk n ALA 545 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1gqk h VAL 546 N -0.37 1.09 -0.90 0.00 -1.51 -1.66 -0.46 116.25 112.45 1gqk h VAL 546 Ca -0.47 -0.33 0.15 0.00 -1.23 0.00 0.00 66.70 64.82 1gqk h VAL 546 Cb 1.76 0.97 -0.07 0.00 -2.13 0.00 0.00 31.29 31.82 1gqk h VAL 546 CO -0.09 0.11 0.58 0.22 -1.23 0.00 0.00 177.57 177.16 1gqk h TYR 547 N 0.21 0.80 0.15 5.19 5.03 -1.81 -0.90 116.97 125.64 1gqk h TYR 547 Ca 0.05 0.02 -0.34 0.00 2.58 0.00 0.00 58.73 61.04 1gqk h TYR 547 Cb 0.12 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.15 1gqk h TYR 547 CO 0.00 0.28 -1.77 1.88 -1.32 0.00 0.00 178.16 177.23 1gqk h TYR 548 N 0.67 0.59 0.00 -3.82 0.05 -1.33 -3.40 116.97 109.74 1gqk h TYR 548 Ca 0.46 -0.43 -0.28 0.00 0.05 0.00 0.00 58.73 58.52 1gqk h TYR 548 Cb 0.77 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.44 1gqk h TYR 548 CO -0.00 1.69 -1.59 1.12 -1.05 0.00 0.00 178.16 178.33 1gqk h HIS 549 N 0.01 0.01 -4.70 4.88 2.07 -1.44 -3.38 115.15 112.60 1gqk h HIS 549 Ca -0.36 -0.01 -0.31 0.00 -2.85 0.00 0.00 60.37 56.84 1gqk h HIS 549 Cb 2.01 -0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.95 1gqk h HIS 549 CO 0.10 1.02 -0.44 0.54 -3.07 0.00 0.00 177.93 176.07 1gqk n ARG 550 N -3.11 -3.00 -1.93 5.12 1.74 -0.35 -0.23 116.66 114.90 1gqk n ARG 550 Ca -0.14 0.54 -0.39 0.00 -0.77 0.00 0.00 57.85 57.08 1gqk n ARG 550 Cb 1.03 -5.20 0.01 0.00 -1.02 0.00 0.00 32.46 27.28 1gqk n ARG 550 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gqk s ALA 551 N -2.78 3.21 0.32 7.54 0.00 -1.26 -4.53 121.76 124.25 1gqk s ALA 551 Ca 0.21 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1gqk s ALA 551 Cb -0.11 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 1gqk s ALA 551 CO 0.26 -1.02 0.41 -1.13 0.00 0.00 0.00 175.76 174.28 1gqk n SER 552 N -0.12 -1.11 0.17 0.00 3.41 0.27 -5.00 113.62 111.23 1gqk n SER 552 Ca 0.05 -2.80 0.06 0.00 -0.26 0.00 0.00 58.87 55.91 1gqk n SER 552 Cb 0.43 2.15 0.53 0.00 -0.26 0.00 0.00 64.21 67.07 1gqk n SER 552 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1gqk h LYS 553 N 0.00 0.18 0.00 4.33 1.63 -1.88 -3.17 116.57 117.66 1gqk h LYS 553 Ca -0.24 -0.02 -0.23 0.00 -0.85 0.00 0.00 60.65 59.31 1gqk h LYS 553 Cb 1.09 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.65 1gqk h LYS 553 CO 0.33 0.17 -1.92 0.25 -3.45 0.00 0.00 179.45 174.83 1gqk n THR 554 N -4.46 1.11 -3.29 1.00 -2.24 -1.26 -4.80 114.28 100.34 1gqk n THR 554 Ca -0.01 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1gqk n THR 554 Cb 0.12 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1gqk n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqk n GLY 555 N 1.52 1.32 3.38 3.38 0.00 -1.20 -1.97 105.19 111.62 1gqk n GLY 555 Ca -0.18 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 1gqk n GLY 555 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1gqk s ILE 556 N -2.49 0.04 0.00 -0.61 2.07 -0.40 -0.56 121.20 119.25 1gqk s ILE 556 Ca 0.00 -0.29 0.00 0.00 -1.41 0.00 0.00 60.65 58.95 1gqk s ILE 556 Cb 0.00 -0.96 0.00 0.00 0.13 0.00 0.00 42.46 41.63 1gqk s ILE 556 CO 0.00 -0.16 0.00 0.61 -1.91 0.00 0.00 174.94 173.48 1gqk n GLY 557 N 0.49 2.57 3.11 1.50 0.00 0.68 -0.64 105.19 112.91 1gqk n GLY 557 Ca -0.18 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 1gqk n GLY 557 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gqk s PHE 558 N -2.22 2.64 -0.48 1.61 2.19 -0.79 -4.33 117.98 116.60 1gqk s PHE 558 Ca 0.00 -1.50 -0.29 0.00 0.33 0.00 0.00 56.93 55.47 1gqk s PHE 558 Cb 0.00 -1.84 0.02 0.00 -1.31 0.00 0.00 43.02 39.90 1gqk s PHE 558 CO 0.00 -0.74 1.26 1.21 1.83 0.00 0.00 175.22 178.78 1gqk s ASN 559 N 1.20 6.47 -0.08 6.13 2.47 -1.26 -1.94 114.94 127.93 1gqk s ASN 559 Ca 0.02 0.50 0.12 0.00 0.42 0.00 0.00 52.86 53.92 1gqk s ASN 559 Cb -0.14 -2.55 0.30 0.00 -1.45 0.00 0.00 41.25 37.42 1gqk s ASN 559 CO -0.10 -1.39 1.23 0.54 -3.72 0.00 0.00 177.10 173.66 1gqk n ARG 560 N 8.09 2.57 -1.57 0.43 1.74 0.13 -1.76 116.66 126.29 1gqk n ARG 560 Ca 0.13 -2.29 -0.19 0.00 -0.77 0.00 0.00 57.85 54.73 1gqk n ARG 560 Cb 0.49 -1.44 0.12 0.00 -1.02 0.00 0.00 32.46 30.62 1gqk n ARG 560 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1gqk n THR 561 N -0.44 0.00 -0.05 0.55 -2.24 -1.23 -1.74 114.28 109.13 1gqk n THR 561 Ca 0.13 -0.84 0.23 0.00 -2.27 0.00 0.00 64.05 61.30 1gqk n THR 561 Cb 0.58 -1.44 0.71 0.00 -2.10 0.00 0.00 70.33 68.08 1gqk n THR 561 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1gqk h LYS 562 N 0.00 0.00 -0.01 -0.78 1.57 -1.95 0.14 116.57 115.54 1gqk h LYS 562 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1gqk h LYS 562 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1gqk h LYS 562 CO 0.23 0.00 -0.13 0.25 -0.57 0.00 0.00 179.45 179.23 1gqk n THR 563 N -4.27 0.00 0.00 -0.16 -2.24 -1.26 -4.70 114.28 101.66 1gqk n THR 563 Ca 0.13 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1gqk n THR 563 Cb 0.73 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1gqk n THR 563 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqk n GLY 564 N 1.26 1.61 0.06 3.38 0.00 0.33 -4.97 105.19 106.86 1gqk n GLY 564 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1gqk n GLY 564 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqk n SER 565 N 0.00 0.45 -2.72 1.61 3.41 -0.72 -4.87 113.62 110.78 1gqk n SER 565 Ca 0.00 0.55 -0.20 0.00 -0.26 0.00 0.00 58.87 58.96 1gqk n SER 565 Cb 0.00 -0.67 0.01 0.00 -0.26 0.00 0.00 64.21 63.29 1gqk n SER 565 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1gqk n ASN 566 N -1.93 -5.35 0.25 4.04 5.15 -0.30 -4.87 115.26 112.24 1gqk n ASN 566 Ca 0.06 -0.11 0.11 0.00 -0.60 0.00 0.00 54.58 54.04 1gqk n ASN 566 Cb 0.36 -4.42 0.67 0.00 -0.53 0.00 0.00 39.78 35.87 1gqk n ASN 566 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gqk h ALA 567 N 1.00 1.32 -0.22 5.20 0.00 -1.62 -2.48 119.26 122.47 1gqk h ALA 567 Ca -0.46 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.38 1gqk h ALA 567 Cb 1.33 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1gqk h ALA 567 CO 0.53 0.18 0.16 -0.07 0.00 0.00 0.00 179.25 180.04 1gqk h LEU 568 N 0.00 0.00 0.00 0.00 3.38 -1.67 0.08 115.31 117.10 1gqk h LEU 568 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gqk h LEU 568 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1gqk h LEU 568 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1gqk n ALA 569 N -2.57 1.48 1.11 1.53 0.00 -0.93 -1.61 120.51 119.52 1gqk n ALA 569 Ca 0.02 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.56 1gqk n ALA 569 Cb 0.30 -1.16 0.55 0.00 0.00 0.00 0.00 19.45 19.14 1gqk n ALA 569 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1gqk n GLN 570 N -1.48 0.16 -3.89 0.00 6.02 0.02 -4.85 117.38 113.35 1gqk n GLN 570 Ca 0.03 -0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.76 1gqk n GLN 570 Cb 0.12 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 1gqk n GLN 570 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1gqk s TYR 571 N -2.87 3.46 0.50 1.08 2.02 -0.63 -4.86 117.35 116.06 1gqk s TYR 571 Ca 0.17 0.05 -0.23 0.00 -0.37 0.00 0.00 57.07 56.69 1gqk s TYR 571 Cb 0.19 -1.63 -0.07 0.00 -0.40 0.00 0.00 41.96 40.05 1gqk s TYR 571 CO 0.55 0.41 1.30 -2.30 -1.57 0.00 0.00 175.55 173.94 1gqk n PRO 572 N -1.31 1.75 -0.30 -1.71 -0.02 -1.26 -4.60 135.00 127.55 1gqk n PRO 572 Ca -0.08 0.64 0.06 0.00 -2.02 0.00 0.00 63.50 62.09 1gqk n PRO 572 Cb 0.56 -2.48 0.15 0.00 -0.02 0.00 0.00 33.50 31.72 1gqk n PRO 572 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1gqk h GLU 573 N 1.64 0.03 -0.58 -0.52 4.22 -1.92 0.55 114.58 118.00 1gqk h GLU 573 Ca -0.50 -0.00 0.04 0.00 0.08 0.00 0.00 59.36 58.98 1gqk h GLU 573 Cb 1.30 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1gqk h GLU 573 CO 0.58 0.02 0.38 -1.35 -2.18 0.00 0.00 179.01 176.46 1gqk h PRO 574 N 0.03 0.64 -0.08 0.92 0.11 -1.90 -0.72 132.00 131.00 1gqk h PRO 574 Ca 0.44 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.45 1gqk h PRO 574 Cb 0.75 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1gqk h PRO 574 CO -0.84 0.42 -0.20 0.82 -0.21 0.00 0.00 178.00 178.00 1gqk h ILE 575 N 0.66 1.42 -0.89 4.15 1.08 -1.22 -2.14 117.51 120.56 1gqk h ILE 575 Ca 0.24 -1.54 0.09 0.00 -0.39 0.00 0.00 64.86 63.25 1gqk h ILE 575 Cb 0.11 2.23 -0.07 0.00 -3.07 0.00 0.00 36.82 36.02 1gqk h ILE 575 CO -0.06 0.44 0.54 0.00 -0.69 0.00 0.00 178.15 178.37 1gqk h ALA 576 N 0.47 1.28 -0.05 1.87 0.00 -0.98 -0.73 119.26 121.12 1gqk h ALA 576 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gqk h ALA 576 Cb 0.81 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1gqk h ALA 576 CO 0.04 0.20 -0.01 -0.22 0.00 0.00 0.00 179.25 179.27 1gqk h LYS 577 N 0.92 0.09 -0.54 0.00 3.64 -1.17 -0.46 116.57 119.04 1gqk h LYS 577 Ca 0.42 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.73 1gqk h LYS 577 Cb 0.33 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1gqk h LYS 577 CO -0.23 0.40 0.18 0.00 -2.27 0.00 0.00 179.45 177.53 1gqk h ALA 578 N 0.69 0.71 0.00 5.00 0.00 -1.09 -2.94 119.26 121.63 1gqk h ALA 578 Ca 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1gqk h ALA 578 Cb 0.36 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1gqk h ALA 578 CO 0.00 0.36 -0.27 -1.49 0.00 0.00 0.00 179.25 177.85 1gqk h TRP 579 N 0.75 0.00 0.00 0.00 6.55 -1.16 -2.27 115.95 119.82 1gqk h TRP 579 Ca 0.18 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.02 1gqk h TRP 579 Cb 0.26 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.56 1gqk h TRP 579 CO 0.01 0.08 -0.30 0.41 -1.05 0.00 0.00 178.44 177.59 1gqk n GLY 580 N 1.14 -1.45 3.59 1.49 0.00 -0.19 -4.65 105.19 105.13 1gqk n GLY 580 Ca 0.03 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1gqk n GLY 580 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gqk s ASP 581 N -3.61 5.71 0.62 1.61 -1.08 -1.12 -4.97 116.67 113.83 1gqk s ASP 581 Ca 0.10 0.01 0.35 0.00 -0.52 0.00 0.00 52.55 52.50 1gqk s ASP 581 Cb 0.16 -2.02 2.03 0.00 -1.46 0.00 0.00 42.92 41.63 1gqk s ASP 581 CO 0.64 0.06 2.29 -0.07 0.52 0.00 0.00 175.17 178.62 1gqk h LEU 582 N 7.52 0.00 -0.79 -1.34 3.38 -1.87 -0.73 115.31 121.48 1gqk h LEU 582 Ca -0.37 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1gqk h LEU 582 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1gqk h LEU 582 CO 0.64 0.00 -0.08 -1.13 0.09 0.00 0.00 178.44 177.96 1gqk h ASN 583 N 0.00 0.00 0.00 -0.43 -1.24 -1.93 -3.36 115.58 108.62 1gqk h ASN 583 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1gqk h ASN 583 Cb 0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.06 1gqk h ASN 583 CO 0.00 0.08 -0.34 -1.54 -1.29 0.00 0.00 177.43 174.35 1gqk n SER 584 N -3.16 1.68 -4.73 1.15 3.41 -0.40 -5.04 113.62 106.53 1gqk n SER 584 Ca 0.02 -0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 57.95 1gqk n SER 584 Cb 0.44 0.85 -0.03 0.00 -0.26 0.00 0.00 64.21 65.21 1gqk n SER 584 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gqk s VAL 585 N -1.19 2.72 0.27 -3.33 0.11 -0.49 -4.78 120.40 113.72 1gqk s VAL 585 Ca 0.00 0.54 -0.30 0.00 -2.93 0.00 0.00 61.98 59.29 1gqk s VAL 585 Cb 0.00 -3.35 -0.11 0.00 -1.53 0.00 0.00 36.38 31.39 1gqk s VAL 585 CO 0.00 0.06 1.61 -2.84 -3.33 0.00 0.00 175.10 170.59 1gqk s PRO 586 N 0.65 4.14 0.48 1.54 0.02 -1.26 -4.88 135.00 135.68 1gqk s PRO 586 Ca 0.66 2.56 0.14 0.00 0.02 0.00 0.00 61.00 64.38 1gqk s PRO 586 Cb -0.42 -3.04 1.12 0.00 0.02 0.00 0.00 34.50 32.17 1gqk s PRO 586 CO 0.35 -0.64 2.07 0.93 -0.33 0.00 0.00 177.00 179.38 1gqk h GLU 587 N 5.30 0.05 0.00 5.54 5.08 -1.96 -1.48 114.58 127.11 1gqk h GLU 587 Ca -0.46 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1gqk h GLU 587 Cb 1.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1gqk h GLU 587 CO 0.83 0.11 0.00 -0.40 -1.00 0.00 0.00 179.01 178.55 1gqk n ASP 588 N -4.44 0.00 0.00 1.42 5.68 -1.26 -2.65 116.55 115.30 1gqk n ASP 588 Ca -0.02 -0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1gqk n ASP 588 Cb 0.15 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 1gqk n ASP 588 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1gqk n LEU 589 N -1.24 0.40 -0.24 -2.12 4.77 -0.69 -3.29 117.00 114.59 1gqk n LEU 589 Ca 0.08 -0.56 0.04 0.00 -0.03 0.00 0.00 56.01 55.54 1gqk n LEU 589 Cb 0.11 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.34 1gqk n LEU 589 CO 0.11 0.10 0.83 -0.29 -1.33 0.00 0.00 177.39 176.81 1gqk h ILE 590 N 0.16 0.40 0.00 -0.08 2.10 -1.07 -1.23 117.51 117.79 1gqk h ILE 590 Ca 0.00 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.90 1gqk h ILE 590 Cb 0.08 0.27 0.00 0.00 -1.09 0.00 0.00 36.82 36.08 1gqk h ILE 590 CO 0.00 0.02 0.00 0.18 -1.08 0.00 0.00 178.15 177.27 1gqk n LEU 591 N -5.31 0.00 0.18 2.19 4.77 -0.64 -1.69 117.00 116.50 1gqk n LEU 591 Ca 0.12 0.32 0.03 0.00 -0.03 0.00 0.00 56.01 56.45 1gqk n LEU 591 Cb 0.44 -0.32 0.36 0.00 -2.33 0.00 0.00 43.42 41.57 1gqk n LEU 591 CO 0.07 -0.06 0.70 -0.50 -1.33 0.00 0.00 177.39 176.27 1gqk h TRP 592 N 0.00 0.00 0.00 -1.77 4.06 -1.27 -2.11 115.95 114.86 1gqk h TRP 592 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1gqk h TRP 592 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1gqk h TRP 592 CO 0.00 0.39 -0.59 1.19 -3.56 0.00 0.00 178.44 175.87 1gqk n PHE 593 N -3.92 0.00 -4.54 0.49 3.72 -0.82 -4.45 117.46 107.95 1gqk n PHE 593 Ca -0.01 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.17 1gqk n PHE 593 Cb 0.44 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.83 1gqk n PHE 593 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1gqk s HIS 594 N -1.51 1.16 -0.34 1.38 3.76 -0.68 -0.69 115.29 118.36 1gqk s HIS 594 Ca 0.00 -0.28 -0.14 0.00 -0.15 0.00 0.00 55.06 54.49 1gqk s HIS 594 Cb 0.00 -0.79 -0.01 0.00 1.11 0.00 0.00 32.58 32.89 1gqk s HIS 594 CO 0.00 -0.08 0.32 -1.58 -0.85 0.00 0.00 174.74 172.55 1gqk s HIS 595 N -0.00 3.22 0.07 1.40 2.46 -1.26 -3.03 115.29 118.14 1gqk s HIS 595 Ca -0.00 -0.08 0.10 0.00 0.47 0.00 0.00 55.06 55.54 1gqk s HIS 595 Cb -0.08 -2.61 -0.03 0.00 -0.13 0.00 0.00 32.58 29.73 1gqk s HIS 595 CO 0.00 -0.41 -0.26 -0.51 -2.47 0.00 0.00 174.74 171.09 1gqk s LEU 596 N 1.92 2.21 0.59 8.88 1.43 0.19 -4.90 118.68 129.00 1gqk s LEU 596 Ca 0.10 -0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 52.38 1gqk s LEU 596 Cb -0.17 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 1gqk s LEU 596 CO 0.11 0.23 1.21 -0.94 0.23 0.00 0.00 176.35 177.19 1gqk s SER 597 N -1.47 5.21 0.59 2.29 1.04 -1.26 -1.27 113.70 118.83 1gqk s SER 597 Ca 0.12 2.40 0.39 0.00 0.48 0.00 0.00 55.95 59.34 1gqk s SER 597 Cb -0.10 -2.60 2.03 0.00 0.10 0.00 0.00 66.02 65.45 1gqk s SER 597 CO 0.03 -1.58 2.19 -0.50 0.98 0.00 0.00 173.24 174.36 1gqk h TRP 598 N 0.92 0.00 -0.02 5.02 4.06 -1.74 -2.02 115.95 122.16 1gqk h TRP 598 Ca -0.50 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.45 1gqk h TRP 598 Cb 1.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.46 1gqk h TRP 598 CO 0.47 0.00 0.00 -0.25 -3.56 0.00 0.00 178.44 175.10 1gqk n ASP 599 N -2.94 1.48 -4.70 -3.49 8.00 -1.26 -2.38 116.55 111.26 1gqk n ASP 599 Ca -0.02 -1.50 -0.43 0.00 0.71 0.00 0.00 54.79 53.55 1gqk n ASP 599 Cb 0.11 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 1gqk n ASP 599 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1gqk n HIS 600 N 0.16 2.58 -3.17 1.24 -0.00 -0.76 -4.69 115.22 110.57 1gqk n HIS 600 Ca 0.19 0.14 -0.39 0.00 -0.00 0.00 0.00 57.72 57.66 1gqk n HIS 600 Cb 0.35 -2.62 -0.05 0.00 -0.00 0.00 0.00 29.99 27.67 1gqk n HIS 600 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1gqk s ARG 601 N 0.95 4.36 0.64 1.57 0.52 -1.26 -0.88 118.95 124.85 1gqk s ARG 601 Ca 0.76 0.66 -0.03 0.00 -0.52 0.00 0.00 55.73 56.60 1gqk s ARG 601 Cb -0.57 -3.46 0.06 0.00 0.52 0.00 0.00 34.95 31.50 1gqk s ARG 601 CO 0.35 0.06 0.91 -1.64 0.02 0.00 0.00 175.30 175.01 1gqk s MET 602 N 0.87 2.27 0.39 3.54 -1.94 0.05 -4.94 119.30 119.54 1gqk s MET 602 Ca 0.31 -0.59 0.14 0.00 -1.71 0.00 0.00 55.69 53.84 1gqk s MET 602 Cb -0.16 -2.32 0.97 0.00 2.01 0.00 0.00 34.83 35.33 1gqk s MET 602 CO 0.14 -1.04 1.87 1.96 -0.01 0.00 0.00 175.02 177.93 1gqk h GLN 603 N -0.31 0.50 0.00 2.03 4.20 -1.98 -0.02 115.11 119.54 1gqk h GLN 603 Ca -0.43 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1gqk h GLN 603 Cb 1.30 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1gqk h GLN 603 CO 0.54 0.33 0.00 -1.13 -0.67 0.00 0.00 178.83 177.90 1gqk n SER 604 N -4.54 0.68 0.00 1.46 3.41 -1.26 -4.87 113.62 108.50 1gqk n SER 604 Ca 0.18 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 1gqk n SER 604 Cb 0.59 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1gqk n SER 604 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gqk n GLY 605 N 0.20 1.88 3.80 5.00 0.00 -0.02 -5.06 105.19 110.98 1gqk n GLY 605 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1gqk n GLY 605 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqk s ARG 606 N -0.93 3.88 0.89 1.61 0.52 -1.26 -4.71 118.95 118.95 1gqk s ARG 606 Ca 0.00 1.36 -0.12 0.00 -0.52 0.00 0.00 55.73 56.45 1gqk s ARG 606 Cb 0.00 -2.15 0.13 0.00 0.52 0.00 0.00 34.95 33.44 1gqk s ARG 606 CO 0.00 -0.37 1.11 0.54 0.02 0.00 0.00 175.30 176.60 1gqk s ASN 607 N -1.95 3.60 0.25 0.23 2.20 -1.26 -0.77 114.94 117.24 1gqk s ASN 607 Ca 0.66 1.22 -0.05 0.00 -0.94 0.00 0.00 52.86 53.76 1gqk s ASN 607 Cb -0.16 -1.89 0.32 0.00 -2.00 0.00 0.00 41.25 37.52 1gqk s ASN 607 CO 0.20 -2.53 1.90 0.25 -2.94 0.00 0.00 177.10 173.99 1gqk h LEU 608 N -1.47 1.08 -0.31 3.54 5.85 -0.63 0.52 115.31 123.88 1gqk h LEU 608 Ca -0.50 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1gqk h LEU 608 Cb 1.30 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1gqk h LEU 608 CO 0.59 0.74 0.20 -0.25 -0.34 0.00 0.00 178.44 179.38 1gqk h TRP 609 N 1.25 0.40 -0.67 1.25 2.91 -1.84 -0.43 115.95 118.82 1gqk h TRP 609 Ca 0.39 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.38 1gqk h TRP 609 Cb 0.00 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 28.49 1gqk h TRP 609 CO -0.00 0.27 0.26 1.96 -1.03 0.00 0.00 178.44 179.90 1gqk h GLN 610 N 0.42 0.99 -0.30 2.65 4.20 -1.68 -1.63 115.11 119.76 1gqk h GLN 610 Ca 0.11 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 1gqk h GLN 610 Cb -0.03 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 1gqk h GLN 610 CO -0.02 0.81 -0.28 1.49 -0.67 0.00 0.00 178.83 180.16 1gqk h GLU 611 N 0.97 0.71 -0.06 1.46 4.57 -0.68 -0.12 114.58 121.43 1gqk h GLU 611 Ca 0.23 -0.37 0.04 0.00 -1.18 0.00 0.00 59.36 58.07 1gqk h GLU 611 Cb 0.20 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 1gqk h GLU 611 CO -0.02 0.99 -0.21 1.25 -1.18 0.00 0.00 179.01 179.83 1gqk h LEU 612 N 0.46 -0.64 -0.33 1.64 6.46 -0.76 -0.22 115.31 121.92 1gqk h LEU 612 Ca 0.05 0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1gqk h LEU 612 Cb 0.85 0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 41.03 1gqk h LEU 612 CO 0.07 -0.27 0.20 0.58 -0.62 0.00 0.00 178.44 178.39 1gqk h VAL 613 N -0.31 1.04 -0.61 1.05 2.07 -1.22 -2.30 116.25 115.97 1gqk h VAL 613 Ca 0.08 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1gqk h VAL 613 Cb 0.42 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 1gqk h VAL 613 CO -0.24 0.07 0.24 -0.74 0.02 0.00 0.00 177.57 176.93 1gqk h HIS 614 N 0.40 0.43 -0.39 1.57 -0.00 -0.59 -1.02 115.15 115.55 1gqk h HIS 614 Ca 0.13 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.49 1gqk h HIS 614 Cb -0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.29 1gqk h HIS 614 CO -0.07 0.13 0.07 0.87 -0.00 0.00 0.00 177.93 178.92 1gqk h LYS 615 N 0.44 0.64 -0.64 5.26 1.79 -0.78 0.11 116.57 123.38 1gqk h LYS 615 Ca 0.30 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1gqk h LYS 615 Cb 0.35 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 1gqk h LYS 615 CO -0.29 0.69 0.40 1.88 -1.08 0.00 0.00 179.45 181.06 1gqk h TYR 616 N 0.49 0.82 -0.30 -1.35 -1.99 -1.07 -1.31 116.97 112.25 1gqk h TYR 616 Ca 0.12 0.01 -0.12 0.00 2.00 0.00 0.00 58.73 60.74 1gqk h TYR 616 Cb 0.36 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 1gqk h TYR 616 CO 0.02 0.53 -0.30 1.88 -0.00 0.00 0.00 178.16 180.30 1gqk h TYR 617 N 0.86 0.71 -0.89 4.88 0.05 -1.08 -3.07 116.97 118.43 1gqk h TYR 617 Ca 0.23 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1gqk h TYR 617 Cb -0.07 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.47 1gqk h TYR 617 CO -0.02 0.85 0.51 0.37 -1.05 0.00 0.00 178.16 178.82 1gqk h GLN 618 N 0.53 1.23 -0.55 4.88 4.15 -0.36 -1.77 115.11 123.22 1gqk h GLN 618 Ca 0.06 -0.13 0.02 0.00 0.77 0.00 0.00 58.65 59.38 1gqk h GLN 618 Cb 0.78 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 1gqk h GLN 618 CO 0.06 0.88 0.34 0.78 -1.93 0.00 0.00 178.83 178.96 1gqk h GLY 619 N 1.25 0.77 1.01 2.39 0.00 -1.16 0.21 103.07 107.53 1gqk h GLY 619 Ca 0.32 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 1gqk h GLY 619 CO -0.05 0.23 0.16 -2.08 0.00 0.00 0.00 176.54 174.80 1gqk h VAL 620 N 0.68 1.25 -0.44 4.60 2.07 -1.49 -2.14 116.25 120.78 1gqk h VAL 620 Ca 0.21 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1gqk h VAL 620 Cb -0.01 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1gqk h VAL 620 CO -0.08 0.33 0.05 -0.33 0.02 0.00 0.00 177.57 177.56 1gqk h GLU 621 N 0.86 0.68 -0.66 1.57 4.39 -0.66 -1.48 114.58 119.28 1gqk h GLU 621 Ca 0.19 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 1gqk h GLU 621 Cb 0.32 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1gqk h GLU 621 CO -0.00 0.67 0.23 1.96 -1.16 0.00 0.00 179.01 180.70 1gqk h GLN 622 N 0.66 1.02 -0.50 2.33 4.20 -0.22 -0.20 115.11 122.39 1gqk h GLN 622 Ca 0.14 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1gqk h GLN 622 Cb 0.33 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1gqk h GLN 622 CO 0.01 0.87 0.27 0.28 -0.67 0.00 0.00 178.83 179.59 1gqk h VAL 623 N 0.95 1.18 -0.75 -0.54 2.07 -0.99 -0.33 116.25 117.84 1gqk h VAL 623 Ca 0.22 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1gqk h VAL 623 Cb 0.27 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1gqk h VAL 623 CO -0.01 0.19 0.38 0.03 0.02 0.00 0.00 177.57 178.18 1gqk h ARG 624 N 0.67 1.05 -0.38 1.57 3.08 -1.06 0.08 114.38 119.38 1gqk h ARG 624 Ca 0.18 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 1gqk h ARG 624 Cb 0.06 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1gqk h ARG 624 CO -0.03 0.79 -0.18 0.00 -1.07 0.00 0.00 179.97 179.48 1gqk h ALA 625 N 1.37 0.96 -0.73 0.04 0.00 -0.73 -2.12 119.26 118.04 1gqk h ALA 625 Ca 0.26 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1gqk h ALA 625 Cb 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1gqk h ALA 625 CO -0.04 0.61 0.34 0.52 0.00 0.00 0.00 179.25 180.67 1gqk h MET 626 N 0.64 1.07 -0.11 0.00 2.86 -0.02 -0.73 114.93 118.64 1gqk h MET 626 Ca 0.10 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1gqk h MET 626 Cb 0.67 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 1gqk h MET 626 CO 0.05 0.85 -0.09 1.96 1.06 0.00 0.00 176.91 180.74 1gqk h GLN 627 N 1.04 -0.10 -0.56 1.72 4.20 -0.66 0.71 115.11 121.46 1gqk h GLN 627 Ca 0.25 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 1gqk h GLN 627 Cb 0.15 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1gqk h GLN 627 CO -0.03 -0.06 0.26 0.00 -0.67 0.00 0.00 178.83 178.32 1gqk h ARG 628 N -0.10 0.82 -0.18 1.46 3.08 -1.14 -1.54 114.38 116.79 1gqk h ARG 628 Ca 0.07 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 60.02 1gqk h ARG 628 Cb 0.20 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1gqk h ARG 628 CO -0.17 0.68 -0.03 1.15 -1.07 0.00 0.00 179.97 180.53 1gqk h THR 629 N 0.76 0.83 -0.76 2.04 2.02 -0.87 -2.73 112.91 114.20 1gqk h THR 629 Ca 0.19 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.38 1gqk h THR 629 Cb 0.15 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1gqk h THR 629 CO -0.02 0.00 0.50 -0.25 0.37 0.00 0.00 175.52 176.12 1gqk h TRP 630 N 0.01 0.96 -0.23 3.16 2.91 -0.47 -2.19 115.95 120.10 1gqk h TRP 630 Ca 0.08 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.19 1gqk h TRP 630 Cb 0.12 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.44 1gqk h TRP 630 CO -0.19 0.60 0.16 -0.44 -1.03 0.00 0.00 178.44 177.54 1gqk h ASP 631 N 1.03 0.01 0.07 2.65 3.32 -1.04 -0.55 116.42 121.91 1gqk h ASP 631 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1gqk h ASP 631 Cb -0.11 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1gqk h ASP 631 CO -0.06 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.47 1gqk n GLN 632 N -4.47 0.74 -0.22 3.56 6.02 -0.82 -3.30 117.38 118.88 1gqk n GLN 632 Ca 0.02 0.01 0.08 0.00 -0.01 0.00 0.00 57.00 57.10 1gqk n GLN 632 Cb 0.30 -1.50 0.20 0.00 1.02 0.00 0.00 30.24 30.26 1gqk n GLN 632 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1gqk n GLN 633 N -1.04 2.71 -0.29 -1.09 1.13 -0.21 -4.69 117.38 113.89 1gqk n GLN 633 Ca 0.18 -2.20 0.13 0.00 -1.94 0.00 0.00 57.00 53.17 1gqk n GLN 633 Cb 0.11 -1.36 0.37 0.00 0.11 0.00 0.00 30.24 29.46 1gqk n GLN 633 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1gqk h GLU 634 N 2.79 0.68 0.00 -1.09 4.81 -1.69 -0.80 114.58 119.28 1gqk h GLU 634 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1gqk h GLU 634 Cb 0.80 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1gqk h GLU 634 CO 0.00 0.45 0.00 0.00 -0.73 0.00 0.00 179.01 178.73 1gqk n ALA 635 N -2.42 1.62 0.66 2.92 0.00 -1.26 -3.48 120.51 118.55 1gqk n ALA 635 Ca 0.19 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.79 1gqk n ALA 635 Cb 0.51 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 1gqk n ALA 635 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1gqk n TYR 636 N -2.24 0.00 -4.48 0.00 4.01 -0.31 -4.99 117.16 109.16 1gqk n TYR 636 Ca 0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.48 1gqk n TYR 636 Cb 0.22 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.11 1gqk n TYR 636 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1gqk s VAL 637 N -2.06 2.10 0.63 -0.72 1.01 -1.20 -4.73 120.40 115.42 1gqk s VAL 637 Ca 0.08 -1.62 -0.19 0.00 0.00 0.00 0.00 61.98 60.26 1gqk s VAL 637 Cb 0.11 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1gqk s VAL 637 CO 0.48 0.12 1.30 1.51 0.00 0.00 0.00 175.10 178.51 1gqk s ASP 638 N -1.83 4.74 0.25 3.32 -4.77 -1.26 -4.82 116.67 112.29 1gqk s ASP 638 Ca 0.12 2.65 -0.04 0.00 -3.30 0.00 0.00 52.55 51.98 1gqk s ASP 638 Cb -0.10 -2.62 0.42 0.00 -1.09 0.00 0.00 42.92 39.53 1gqk s ASP 638 CO 0.05 -1.92 1.80 0.00 0.70 0.00 0.00 175.17 175.80 1gqk h ALA 639 N 0.72 1.20 0.38 2.11 0.00 -1.99 -2.06 119.26 119.63 1gqk h ALA 639 Ca -0.51 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1gqk h ALA 639 Cb 1.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1gqk h ALA 639 CO 0.54 0.08 -0.18 0.00 0.00 0.00 0.00 179.25 179.68 1gqk h ALA 640 N 1.47 -0.51 -0.27 0.00 0.00 -1.90 -0.28 119.26 117.77 1gqk h ALA 640 Ca 0.41 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1gqk h ALA 640 Cb 0.41 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1gqk h ALA 640 CO -0.26 -0.68 -0.21 0.00 0.00 0.00 0.00 179.25 178.09 1gqk h ARG 641 N -0.71 0.49 0.11 0.00 3.08 -1.78 -1.54 114.38 114.03 1gqk h ARG 641 Ca -0.05 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 1gqk h ARG 641 Cb 0.50 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1gqk h ARG 641 CO 0.09 0.67 -0.06 0.35 -1.07 0.00 0.00 179.97 179.94 1gqk h PHE 642 N 0.44 -0.17 -0.91 3.04 3.57 -1.27 -0.87 116.94 120.77 1gqk h PHE 642 Ca 0.07 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1gqk h PHE 642 Cb 0.61 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 1gqk h PHE 642 CO 0.02 -0.10 0.55 0.00 -2.23 0.00 0.00 178.31 176.55 1gqk h ALA 643 N 0.72 1.16 -0.04 2.41 0.00 -0.79 -0.83 119.26 121.89 1gqk h ALA 643 Ca -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1gqk h ALA 643 Cb 0.14 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1gqk h ALA 643 CO 0.02 0.62 0.01 0.37 0.00 0.00 0.00 179.25 180.27 1gqk h GLN 644 N 1.26 0.06 -0.46 0.00 4.15 -1.01 -0.72 115.11 118.39 1gqk h GLN 644 Ca 0.33 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.64 1gqk h GLN 644 Cb -0.05 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1gqk h GLN 644 CO -0.06 0.27 -0.08 0.28 -1.93 0.00 0.00 178.83 177.30 1gqk h VAL 645 N -0.16 1.26 -0.24 2.39 2.07 -1.06 -1.12 116.25 119.39 1gqk h VAL 645 Ca 0.01 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.40 1gqk h VAL 645 Cb 0.24 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1gqk h VAL 645 CO 0.00 0.40 0.12 0.50 0.02 0.00 0.00 177.57 178.60 1gqk h LYS 646 N 0.75 0.24 -0.48 1.57 3.64 -0.99 -1.27 116.57 120.03 1gqk h LYS 646 Ca 0.13 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1gqk h LYS 646 Cb 0.57 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1gqk h LYS 646 CO 0.03 0.16 -0.01 0.00 -2.27 0.00 0.00 179.45 177.37 1gqk h ALA 647 N 1.12 0.64 -0.98 5.00 0.00 -0.93 -2.66 119.26 121.46 1gqk h ALA 647 Ca 0.10 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1gqk h ALA 647 Cb 0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1gqk h ALA 647 CO -0.07 0.45 0.64 -0.07 0.00 0.00 0.00 179.25 180.20 1gqk h LEU 648 N 0.70 1.14 -1.62 0.00 3.38 -0.97 -1.64 115.31 116.31 1gqk h LEU 648 Ca 0.13 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1gqk h LEU 648 Cb 0.52 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1gqk h LEU 648 CO 0.03 0.83 0.03 -0.07 0.09 0.00 0.00 178.44 179.35 1gqk h LEU 649 N 1.34 0.25 -0.56 1.67 3.38 -1.12 0.17 115.31 120.44 1gqk h LEU 649 Ca 0.36 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.22 1gqk h LEU 649 Cb -0.14 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1gqk h LEU 649 CO -0.08 0.27 0.01 1.56 0.09 0.00 0.00 178.44 180.30 1gqk h GLN 650 N 0.28 0.99 -0.45 1.13 4.20 -0.96 0.36 115.11 120.66 1gqk h GLN 650 Ca 0.07 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.41 1gqk h GLN 650 Cb 0.14 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1gqk h GLN 650 CO -0.00 0.98 0.06 0.28 -0.67 0.00 0.00 178.83 179.48 1gqk h VAL 651 N 0.87 1.25 -0.52 -0.54 2.07 -0.80 -1.74 116.25 116.84 1gqk h VAL 651 Ca 0.16 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1gqk h VAL 651 Cb 0.53 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1gqk h VAL 651 CO 0.03 0.32 0.32 -0.61 0.02 0.00 0.00 177.57 177.65 1gqk h GLN 652 N 0.61 0.63 -0.70 1.57 4.15 -0.51 0.46 115.11 121.32 1gqk h GLN 652 Ca 0.13 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1gqk h GLN 652 Cb 0.40 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1gqk h GLN 652 CO 0.01 0.42 0.38 1.49 -1.93 0.00 0.00 178.83 179.20 1gqk h GLU 653 N 0.65 0.97 -0.15 1.69 4.22 -0.69 0.43 114.58 121.70 1gqk h GLU 653 Ca 0.20 -0.11 -0.00 0.00 0.08 0.00 0.00 59.36 59.52 1gqk h GLU 653 Cb -0.02 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1gqk h GLU 653 CO -0.07 0.73 0.08 -0.09 -2.18 0.00 0.00 179.01 177.48 1gqk h ARG 654 N 0.96 0.21 -0.48 1.92 2.43 -0.90 -1.58 114.38 116.93 1gqk h ARG 654 Ca 0.25 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 1gqk h ARG 654 Cb 0.04 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1gqk h ARG 654 CO -0.04 0.22 -0.03 0.93 -1.51 0.00 0.00 179.97 179.54 1gqk h GLU 655 N 0.14 0.81 -0.70 0.20 4.39 -0.55 -2.11 114.58 116.76 1gqk h GLU 655 Ca 0.05 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.46 1gqk h GLU 655 Cb 0.07 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1gqk h GLU 655 CO -0.01 0.83 0.20 0.00 -1.16 0.00 0.00 179.01 178.88 1gqk h ALA 656 N 1.22 1.03 -0.67 3.43 0.00 0.11 0.22 119.26 124.59 1gqk h ALA 656 Ca 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1gqk h ALA 656 Cb 0.49 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1gqk h ALA 656 CO 0.02 0.65 0.32 0.28 0.00 0.00 0.00 179.25 180.52 1gqk h VAL 657 N 1.05 1.23 -0.54 0.00 2.07 -1.09 0.19 116.25 119.16 1gqk h VAL 657 Ca 0.23 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1gqk h VAL 657 Cb 0.32 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1gqk h VAL 657 CO -0.00 0.27 0.20 -0.09 0.02 0.00 0.00 177.57 177.96 1gqk h ARG 658 N 0.93 0.83 -0.14 1.57 2.43 -0.78 0.91 114.38 120.13 1gqk h ARG 658 Ca 0.23 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1gqk h ARG 658 Cb 0.13 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1gqk h ARG 658 CO -0.03 0.73 0.05 -1.49 -1.51 0.00 0.00 179.97 177.73 1gqk h TRP 659 N 0.75 0.10 0.29 2.20 4.06 -0.32 -0.47 115.95 122.55 1gqk h TRP 659 Ca 0.18 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.12 1gqk h TRP 659 Cb 0.23 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.37 1gqk h TRP 659 CO 0.01 0.05 -0.14 -0.09 -3.56 0.00 0.00 178.44 174.72 1gqk h ARG 660 N 0.13 -0.37 -0.51 0.49 2.43 -0.61 -1.10 114.38 114.83 1gqk h ARG 660 Ca 0.06 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1gqk h ARG 660 Cb 0.03 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1gqk h ARG 660 CO -0.06 -0.24 0.29 -0.91 -1.51 0.00 0.00 179.97 177.55 1gqk h ASN 661 N -0.40 0.63 -0.22 -3.80 4.21 -0.82 -0.25 115.58 114.94 1gqk h ASN 661 Ca -0.04 -0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.38 1gqk h ASN 661 Cb 0.30 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 1gqk h ASN 661 CO 0.06 0.53 0.11 0.28 -1.29 0.00 0.00 177.43 177.13 1gqk h SER 662 N 0.68 0.28 -0.02 5.81 0.02 -0.98 -1.21 113.55 118.14 1gqk h SER 662 Ca 0.18 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1gqk h SER 662 Cb 0.03 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1gqk h SER 662 CO -0.03 0.32 -0.03 0.00 -1.14 0.00 0.00 176.83 175.95 1gqk h VAL 664 N -0.44 1.13 -0.24 0.00 2.07 -1.07 0.13 116.25 117.83 1gqk h VAL 664 Ca 0.00 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 1gqk h VAL 664 Cb 0.55 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1gqk h VAL 664 CO 0.01 0.13 -0.32 -0.07 0.02 0.00 0.00 177.57 177.34 1gqk h LEU 665 N 0.73 0.51 0.38 2.57 3.38 -1.26 0.89 115.31 122.52 1gqk h LEU 665 Ca 0.20 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1gqk h LEU 665 Cb -0.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1gqk h LEU 665 CO -0.05 0.80 -0.18 0.22 0.09 0.00 0.00 178.44 179.32 1gqk h TYR 666 N 0.43 -0.47 -0.28 1.13 3.20 -0.67 -1.78 116.97 118.52 1gqk h TYR 666 Ca 0.05 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1gqk h TYR 666 Cb 0.77 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 1gqk h TYR 666 CO 0.03 -0.16 0.08 0.74 -1.64 0.00 0.00 178.16 177.20 1gqk h PHE 667 N -0.78 0.40 -0.78 -3.82 0.04 -0.90 -1.30 116.94 109.80 1gqk h PHE 667 Ca -0.05 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.72 1gqk h PHE 667 Cb 0.52 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.50 1gqk h PHE 667 CO 0.01 0.35 0.51 0.37 -0.60 0.00 0.00 178.31 178.95 1gqk h GLN 668 N 0.40 0.99 0.00 1.51 4.15 -0.75 0.12 115.11 121.53 1gqk h GLN 668 Ca 0.10 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 1gqk h GLN 668 Cb 0.14 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 1gqk h GLN 668 CO -0.01 0.65 -0.09 0.66 -1.93 0.00 0.00 178.83 178.12 1gqk h SER 669 N 1.02 0.00 0.04 -0.69 4.64 -0.32 0.38 113.55 118.62 1gqk h SER 669 Ca 0.30 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.31 1gqk h SER 669 Cb -0.05 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 1gqk h SER 669 CO -0.09 0.09 -1.71 0.52 -0.87 0.00 0.00 176.83 174.76 1gqk n VAL 670 N -3.63 1.62 0.10 0.95 0.31 -0.92 -4.41 118.33 112.34 1gqk n VAL 670 Ca -0.02 -0.31 -0.05 0.00 -0.01 0.00 0.00 64.34 63.95 1gqk n VAL 670 Cb 0.20 -1.89 0.05 0.00 -0.91 0.00 0.00 33.84 31.30 1gqk n VAL 670 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gqk h ALA 671 N -0.32 0.70 -3.62 3.52 0.00 -0.66 -3.25 119.26 115.63 1gqk h ALA 671 Ca -0.42 -0.68 -0.21 0.00 0.00 0.00 0.00 54.91 53.59 1gqk h ALA 671 Cb 1.62 -0.10 0.08 0.00 0.00 0.00 0.00 17.79 19.39 1gqk h ALA 671 CO -0.12 0.91 -0.37 0.41 0.00 0.00 0.00 179.25 180.08 1gqk n GLY 672 N 0.66 0.14 3.27 0.00 0.00 0.13 -4.83 105.19 104.57 1gqk n GLY 672 Ca -0.02 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1gqk n GLY 672 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqk s ARG 673 N -5.61 1.07 0.47 1.61 0.52 -1.25 -5.09 118.95 110.67 1gqk s ARG 673 Ca 0.28 -1.13 -0.19 0.00 -0.52 0.00 0.00 55.73 54.17 1gqk s ARG 673 Cb -0.13 -1.30 -0.10 0.00 0.52 0.00 0.00 34.95 33.95 1gqk s ARG 673 CO 0.39 0.30 0.97 -1.25 0.02 0.00 0.00 175.30 175.73 1gqk s PRO 674 N -1.88 4.10 -0.03 3.54 0.05 -1.26 -4.84 135.00 134.68 1gqk s PRO 674 Ca 0.05 1.06 -0.30 0.00 0.05 0.00 0.00 61.00 61.86 1gqk s PRO 674 Cb -0.10 -2.16 -0.04 0.00 0.05 0.00 0.00 34.50 32.25 1gqk s PRO 674 CO 0.04 -0.14 1.19 0.42 0.05 0.00 0.00 177.00 178.56 1gqk s ILE 675 N -2.35 4.24 0.34 0.56 1.01 -1.26 -4.98 121.20 118.76 1gqk s ILE 675 Ca 0.61 1.58 -0.27 0.00 0.00 0.00 0.00 60.65 62.57 1gqk s ILE 675 Cb -0.10 -4.01 -0.13 0.00 0.01 0.00 0.00 42.46 38.23 1gqk s ILE 675 CO 0.20 0.03 1.09 -2.65 0.00 0.00 0.00 174.94 173.61 1gqk n PRO 676 N 4.89 1.57 0.17 2.79 -0.02 -1.26 -4.86 135.00 138.28 1gqk n PRO 676 Ca 0.10 0.55 0.16 0.00 -2.02 0.00 0.00 63.50 62.29 1gqk n PRO 676 Cb 0.46 -2.03 0.75 0.00 -0.02 0.00 0.00 33.50 32.67 1gqk n PRO 676 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gqk h ALA 677 N 2.03 2.02 0.00 3.55 0.00 -2.02 -2.30 119.26 122.54 1gqk h ALA 677 Ca -0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1gqk h ALA 677 Cb 1.32 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1gqk h ALA 677 CO 0.60 -0.31 -0.06 -2.95 0.00 0.00 0.00 179.25 176.53 1gqk h ASN 678 N 0.00 0.00 -3.90 0.00 -1.07 -2.04 -3.44 115.58 105.13 1gqk h ASN 678 Ca 0.11 0.00 -0.47 0.00 0.07 0.00 0.00 56.30 56.00 1gqk h ASN 678 Cb 0.50 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.73 1gqk h ASN 678 CO -0.00 0.06 0.22 -0.31 0.07 0.00 0.00 177.43 177.46 1gqk s TYR 679 N -3.72 3.38 -0.05 4.14 2.02 -0.87 -5.01 117.35 117.25 1gqk s TYR 679 Ca 0.01 1.35 -0.30 0.00 -0.37 0.00 0.00 57.07 57.76 1gqk s TYR 679 Cb 0.10 -2.66 -0.05 0.00 -0.40 0.00 0.00 41.96 38.95 1gqk s TYR 679 CO 0.56 -0.07 1.55 -2.00 -1.57 0.00 0.00 175.55 174.02 1gqk s GLU 680 N -3.34 4.21 0.10 -0.62 2.12 -1.26 -4.97 118.70 114.94 1gqk s GLU 680 Ca 0.57 2.08 -0.30 0.00 0.36 0.00 0.00 54.97 57.68 1gqk s GLU 680 Cb -0.10 -3.86 -0.06 0.00 0.26 0.00 0.00 34.13 30.37 1gqk s GLU 680 CO 0.20 -0.77 1.16 -0.65 -0.54 0.00 0.00 175.26 174.66 1gqk s GLN 681 N 3.59 4.49 0.36 4.30 -1.52 -1.26 -5.00 119.66 124.62 1gqk s GLN 681 Ca 0.69 1.75 -0.28 0.00 -1.95 0.00 0.00 55.36 55.56 1gqk s GLN 681 Cb -0.32 -3.32 -0.12 0.00 -0.22 0.00 0.00 33.01 29.04 1gqk s GLN 681 CO 0.27 -0.14 1.42 -2.30 -0.25 0.00 0.00 175.29 174.30 1gqk n PRO 682 N 3.35 2.48 0.05 2.91 -0.02 -1.26 -4.91 135.00 137.61 1gqk n PRO 682 Ca 0.07 0.87 -0.05 0.00 -2.02 0.00 0.00 63.50 62.36 1gqk n PRO 682 Cb 0.46 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 1gqk n PRO 682 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1gqk h GLU 683 N 2.90 0.00 -6.53 -0.52 4.22 -2.03 -3.46 114.58 109.17 1gqk h GLU 683 Ca -0.49 0.00 -0.44 0.00 0.08 0.00 0.00 59.36 58.51 1gqk h GLU 683 Cb 1.26 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.53 1gqk h GLU 683 CO 0.64 0.75 -0.21 -1.01 -2.18 0.00 0.00 179.01 177.01 1gqk s HIS 684 N -2.74 3.09 0.70 0.92 3.76 -1.26 -5.12 115.29 114.64 1gqk s HIS 684 Ca -0.00 -0.05 -0.00 0.00 -0.15 0.00 0.00 55.06 54.86 1gqk s HIS 684 Cb 0.09 -2.24 0.14 0.00 1.11 0.00 0.00 32.58 31.68 1gqk s HIS 684 CO 0.81 -0.28 0.96 -0.40 -0.85 0.00 0.00 174.74 174.98 1gqk n ASP 685 N -1.90 1.30 -0.29 1.40 3.85 -1.26 -4.99 116.55 114.66 1gqk n ASP 685 Ca 0.02 -2.09 -0.05 0.00 -0.71 0.00 0.00 54.79 51.96 1gqk n ASP 685 Cb 0.58 -0.62 0.07 0.00 -1.35 0.00 0.00 41.12 39.80 1gqk n ASP 685 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1gqk h LEU 686 N 0.00 1.02 -0.96 -2.12 5.85 -1.95 -2.61 115.31 114.54 1gqk h LEU 686 Ca -0.32 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.35 1gqk h LEU 686 Cb 1.17 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 1gqk h LEU 686 CO 0.34 0.84 0.62 -0.08 -0.34 0.00 0.00 178.44 179.82 1gqk h GLU 687 N 1.12 1.11 -0.86 1.25 4.57 -1.99 -0.78 114.58 118.99 1gqk h GLU 687 Ca 0.28 -0.07 0.05 0.00 -1.18 0.00 0.00 59.36 58.44 1gqk h GLU 687 Cb 0.06 -0.25 -0.06 0.00 -0.16 0.00 0.00 28.75 28.35 1gqk h GLU 687 CO -0.04 0.73 0.55 -0.92 -1.18 0.00 0.00 179.01 178.15 1gqk h TYR 688 N 1.14 1.02 0.00 0.92 5.03 -1.85 0.13 116.97 123.36 1gqk h TYR 688 Ca 0.41 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.63 1gqk h TYR 688 Cb 0.13 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 38.06 1gqk h TYR 688 CO -0.01 0.55 -0.58 1.88 -1.32 0.00 0.00 178.16 178.68 1gqk h TYR 689 N 1.03 0.00 -0.68 -3.82 -1.99 -1.25 -0.17 116.97 110.09 1gqk h TYR 689 Ca 0.36 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.02 1gqk h TYR 689 Cb 0.10 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.80 1gqk h TYR 689 CO -0.03 0.58 0.13 0.87 -0.00 0.00 0.00 178.16 179.71 1gqk h LYS 690 N 0.00 1.11 -0.18 4.88 1.57 -0.47 -0.70 116.57 122.78 1gqk h LYS 690 Ca -0.01 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1gqk h LYS 690 Cb 1.15 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1gqk h LYS 690 CO 0.08 1.00 0.08 1.98 -0.57 0.00 0.00 179.45 182.02 1gqk h MET 691 N 1.03 0.27 -0.78 3.15 4.05 -0.64 -2.14 114.93 119.87 1gqk h MET 691 Ca 0.21 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.63 1gqk h MET 691 Cb 0.42 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.13 1gqk h MET 691 CO 0.01 0.32 0.51 -0.07 0.23 0.00 0.00 176.91 177.91 1gqk h LEU 692 N 0.15 0.80 -1.15 3.39 3.38 -0.88 -1.05 115.31 119.95 1gqk h LEU 692 Ca 0.06 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1gqk h LEU 692 Cb 0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1gqk h LEU 692 CO -0.01 0.54 0.16 0.00 0.09 0.00 0.00 178.44 179.22 1gqk h ALA 693 N 1.56 1.32 0.00 1.53 0.00 -0.76 0.12 119.26 123.03 1gqk h ALA 693 Ca 0.32 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1gqk h ALA 693 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1gqk h ALA 693 CO -0.10 0.49 -0.38 0.00 0.00 0.00 0.00 179.25 179.26 1gqk h ARG 694 N 0.74 0.00 0.00 0.00 3.08 -0.66 -3.38 114.38 114.16 1gqk h ARG 694 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1gqk h ARG 694 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1gqk h ARG 694 CO -0.01 0.38 -0.31 0.25 -1.07 0.00 0.00 179.97 179.22 1gqk n THR 695 N -3.33 0.00 -2.44 2.04 -2.24 -0.49 -4.72 114.28 103.09 1gqk n THR 695 Ca 0.01 -0.37 -0.43 0.00 -2.27 0.00 0.00 64.05 61.00 1gqk n THR 695 Cb 0.59 0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 69.74 1gqk n THR 695 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1gqk s THR 696 N -1.51 4.27 0.05 4.28 2.01 0.36 -4.94 115.64 120.15 1gqk s THR 696 Ca 0.01 1.56 -0.37 0.00 0.31 0.00 0.00 61.69 63.21 1gqk s THR 696 Cb 0.03 -4.01 -0.16 0.00 0.01 0.00 0.00 72.50 68.37 1gqk s THR 696 CO 0.19 -0.07 1.39 0.00 -0.69 0.00 0.00 174.62 175.44 1gqk n TYR 697 N 5.92 1.60 -3.14 4.92 9.36 -1.26 -4.94 117.16 129.62 1gqk n TYR 697 Ca 0.12 0.61 -0.43 0.00 3.32 0.00 0.00 57.90 61.53 1gqk n TYR 697 Cb 0.45 -2.35 -0.07 0.00 -0.63 0.00 0.00 39.34 36.74 1gqk n TYR 697 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1gqk s VAL 698 N 0.86 4.85 -1.36 2.97 1.01 -1.26 -5.01 120.40 122.46 1gqk s VAL 698 Ca 0.86 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 62.64 1gqk s VAL 698 Cb -0.96 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 31.29 1gqk s VAL 698 CO 0.49 -0.64 1.98 -0.81 0.00 0.00 0.00 175.10 176.12 1gqk n PRO 699 N 6.21 3.16 -3.67 2.72 -0.04 -1.26 -4.34 135.00 137.77 1gqk n PRO 699 Ca -0.03 -3.07 -0.09 0.00 -0.04 0.00 0.00 63.50 60.27 1gqk n PRO 699 Cb 0.47 -3.21 -0.09 0.00 -0.04 0.00 0.00 33.50 30.63 1gqk n PRO 699 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1gqk s GLU 700 N 2.52 0.43 0.22 0.54 2.12 -1.26 -4.79 118.70 118.49 1gqk s GLU 700 Ca 0.46 0.98 -0.08 0.00 0.36 0.00 0.00 54.97 56.69 1gqk s GLU 700 Cb 0.10 0.17 0.27 0.00 0.26 0.00 0.00 34.13 34.92 1gqk s GLU 700 CO -0.03 -0.19 1.82 -1.35 -0.54 0.00 0.00 175.26 174.98 1gqk h PRO 701 N 7.47 0.75 0.28 4.30 0.11 -1.87 -3.34 132.00 139.70 1gqk h PRO 701 Ca -0.28 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1gqk h PRO 701 Cb 1.16 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1gqk h PRO 701 CO 0.21 0.50 -0.13 2.35 -0.21 0.00 0.00 178.00 180.71 1gqk h TRP 702 N 0.77 -0.35 -3.51 0.65 7.01 -1.86 -3.45 115.95 115.22 1gqk h TRP 702 Ca 0.32 -0.01 -0.52 0.00 2.11 0.00 0.00 58.89 60.79 1gqk h TRP 702 Cb 0.18 0.11 0.02 0.00 -2.10 0.00 0.00 29.16 27.38 1gqk h TRP 702 CO -0.06 -0.13 0.56 -1.58 -2.79 0.00 0.00 178.44 174.44 1gqk s HIS 703 N -5.59 3.41 0.54 2.65 2.46 -1.25 -4.90 115.29 112.62 1gqk s HIS 703 Ca -0.15 1.43 0.32 0.00 0.47 0.00 0.00 55.06 57.13 1gqk s HIS 703 Cb 0.04 -3.44 1.49 0.00 -0.13 0.00 0.00 32.58 30.54 1gqk s HIS 703 CO 0.62 -1.23 1.87 -1.35 -2.47 0.00 0.00 174.74 172.18 1gqk h PRO 704 N 5.10 0.00 -0.48 2.88 0.11 -1.91 -2.08 132.00 135.61 1gqk h PRO 704 Ca -0.45 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.79 1gqk h PRO 704 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1gqk h PRO 704 CO 0.74 0.00 0.34 0.00 -0.21 0.00 0.00 178.00 178.87 1gqk h ALA 705 N 1.51 2.39 0.00 -0.75 0.00 -1.93 0.96 119.26 121.44 1gqk h ALA 705 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1gqk h ALA 705 Cb 1.79 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1gqk h ALA 705 CO -0.00 -0.53 0.00 0.66 0.00 0.00 0.00 179.25 179.38 1gqk h SER 706 N 0.05 0.00 0.00 0.00 4.64 -1.57 -1.72 113.55 114.96 1gqk h SER 706 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1gqk h SER 706 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1gqk h SER 706 CO -0.01 0.00 -0.16 -1.20 -0.87 0.00 0.00 176.83 174.59 1gqk n SER 707 N -2.88 2.30 -4.71 4.97 7.64 0.32 -4.84 113.62 116.41 1gqk n SER 707 Ca -0.00 -1.68 -0.42 0.00 1.01 0.00 0.00 58.87 57.78 1gqk n SER 707 Cb 0.20 0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 1gqk n SER 707 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1gqk s SER 708 N -2.18 6.58 -0.16 6.43 0.15 -0.65 -4.90 113.70 118.97 1gqk s SER 708 Ca 0.27 2.60 0.17 0.00 0.70 0.00 0.00 55.95 59.68 1gqk s SER 708 Cb 0.20 -2.59 0.76 0.00 -1.71 0.00 0.00 66.02 62.68 1gqk s SER 708 CO 0.40 -0.84 1.68 0.54 1.20 0.00 0.00 173.24 176.22 1gqk n ARG 709 N 4.33 4.18 -1.89 5.44 1.74 -1.26 -4.96 116.66 124.24 1gqk n ARG 709 Ca 0.14 -3.00 -0.42 0.00 -0.77 0.00 0.00 57.85 53.80 1gqk n ARG 709 Cb 0.39 -2.04 -0.03 0.00 -1.02 0.00 0.00 32.46 29.76 1gqk n ARG 709 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gqk s VAL 710 N -2.23 2.46 -0.01 1.55 1.01 -1.26 -4.89 120.40 117.02 1gqk s VAL 710 Ca 0.52 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.86 1gqk s VAL 710 Cb 0.36 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.56 1gqk s VAL 710 CO 0.21 0.03 0.86 0.18 0.00 0.00 0.00 175.10 176.38 1gqk n LEU 711 N 3.79 1.30 0.00 3.92 4.77 -1.26 -4.62 117.00 124.90 1gqk n LEU 711 Ca 0.14 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.68 1gqk n LEU 711 Cb 0.38 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1gqk n LEU 711 CO 0.62 0.35 0.01 0.29 -1.33 0.00 0.00 177.39 177.33