#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 3.05 0.00 1.62 5.68 -1.26 -4.51 116.55 121.13 1gqk n ASP 6 Ca 0.00 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 1gqk n ASP 6 Cb 0.00 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 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 0.56 1.07 0.31 6.12 0.00 -1.26 -3.87 105.19 108.11 1gqk n GLY 7 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.71 -0.00 1.61 3.20 -1.88 -2.29 116.97 118.32 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 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.05 1gqk h TYR 8 CO 0.00 0.54 -0.01 -0.25 -1.64 0.00 0.00 178.16 176.81 1gqk n ASP 9 N -4.36 0.01 0.00 -2.11 8.00 -1.26 -4.97 116.55 111.86 1gqk n ASP 9 Ca 0.04 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1gqk n ASP 9 Cb 0.15 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 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 -1.46 0.00 -0.11 -1.24 2.81 -0.86 -1.04 117.12 115.22 1gqk n MET 10 Ca 0.08 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.08 1gqk n MET 10 Cb 0.32 0.00 0.32 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 14.00 0.29 -2.74 2.03 2.14 -1.26 -4.37 117.44 127.54 1gqk n TRP 11 Ca 0.00 -0.14 -0.41 0.00 2.07 0.00 0.00 57.50 59.01 1gqk n TRP 11 Cb 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 30.52 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 0.67 7.08 -4.42 5.67 4.77 -0.21 -4.67 117.00 125.89 1gqk n LEU 12 Ca 0.17 -5.36 -0.44 0.00 -0.03 0.00 0.00 56.01 50.35 1gqk n LEU 12 Cb 0.41 -1.18 -0.07 0.00 -2.33 0.00 0.00 43.42 40.25 1gqk n LEU 12 CO 0.14 1.97 0.17 -0.13 -1.33 0.00 0.00 177.39 178.21 1gqk s ARG 13 N -3.95 3.05 -1.12 3.23 0.52 -1.26 -4.87 118.95 114.55 1gqk s ARG 13 Ca 0.37 -1.12 -0.07 0.00 -0.52 0.00 0.00 55.73 54.40 1gqk s ARG 13 Cb 0.16 -4.11 0.28 0.00 0.52 0.00 0.00 34.95 31.80 1gqk s ARG 13 CO -0.07 -1.11 1.32 0.66 0.02 0.00 0.00 175.30 176.12 1gqk n TYR 14 N 5.67 3.92 -4.08 -0.53 4.01 -1.26 -4.97 117.16 119.93 1gqk n TYR 14 Ca -0.09 -3.29 -0.29 0.00 -0.16 0.00 0.00 57.90 54.07 1gqk n TYR 14 Cb 0.45 -1.56 -0.06 0.00 -0.31 0.00 0.00 39.34 37.85 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 -1.70 2.82 0.30 -0.72 -0.21 -1.26 -3.84 119.66 115.04 1gqk s GLN 15 Ca 0.32 -0.79 -0.29 0.00 0.02 0.00 0.00 55.36 54.62 1gqk s GLN 15 Cb -0.03 -2.66 -0.13 0.00 1.00 0.00 0.00 33.01 31.20 1gqk s GLN 15 CO 0.01 0.53 1.36 -0.35 -2.12 0.00 0.00 175.29 174.71 1gqk n PRO 16 N 0.19 2.13 -1.69 2.91 -0.04 -0.75 -4.00 135.00 133.75 1gqk n PRO 16 Ca -0.09 0.75 -0.44 0.00 -0.04 0.00 0.00 63.50 63.69 1gqk n PRO 16 Cb 0.53 -2.38 -0.04 0.00 -0.04 0.00 0.00 33.50 31.58 1gqk n PRO 16 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1gqk n ILE 17 N 1.07 0.24 0.01 0.52 2.08 -0.65 -4.90 119.36 117.73 1gqk n ILE 17 Ca 0.08 -0.04 -0.10 0.00 0.56 0.00 0.00 62.75 63.25 1gqk n ILE 17 Cb 0.34 -1.93 0.05 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 7.66 0.69 -1.77 -1.39 0.00 -1.93 -3.41 119.26 119.11 1gqk h ALA 18 Ca -0.46 -0.52 -0.56 0.00 0.00 0.00 0.00 54.91 53.37 1gqk h ALA 18 Cb 1.23 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1gqk h ALA 18 CO 0.94 0.69 1.20 0.34 0.00 0.00 0.00 179.25 182.42 1gqk s ASP 19 N -6.93 5.98 0.26 0.00 -1.08 -1.26 -4.89 116.67 108.76 1gqk s ASP 19 Ca -0.07 0.95 -0.04 0.00 -0.52 0.00 0.00 52.55 52.86 1gqk s ASP 19 Cb 0.11 -2.53 0.31 0.00 -1.46 0.00 0.00 42.92 39.35 1gqk s ASP 19 CO 0.84 -1.70 1.87 1.56 0.52 0.00 0.00 175.17 178.27 1gqk h GLN 20 N 12.27 1.11 -0.18 4.34 1.08 -1.99 0.49 115.11 132.23 1gqk h GLN 20 Ca -0.30 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 56.74 1gqk h GLN 20 Cb 1.14 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 1gqk h GLN 20 CO 1.08 0.83 0.04 1.15 -0.95 0.00 0.00 178.83 180.98 1gqk h THR 21 N 1.11 1.21 -0.59 -0.54 2.02 -1.96 -2.20 112.91 111.97 1gqk h THR 21 Ca 0.28 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 1gqk h THR 21 Cb 0.06 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1gqk h THR 21 CO -0.04 0.21 0.22 0.25 0.37 0.00 0.00 175.52 176.53 1gqk h LEU 22 N 0.09 0.82 -0.40 2.58 5.85 -1.92 -2.22 115.31 120.11 1gqk h LEU 22 Ca 0.05 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.65 1gqk h LEU 22 Cb 0.28 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 1gqk h LEU 22 CO 0.00 0.78 0.09 0.25 -0.34 0.00 0.00 178.44 179.22 1gqk h LEU 23 N 0.81 0.03 -0.90 2.25 5.85 -0.81 -1.53 115.31 121.01 1gqk h LEU 23 Ca 0.19 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1gqk h LEU 23 Cb 0.23 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1gqk h LEU 23 CO -0.01 0.05 0.59 0.11 -0.34 0.00 0.00 178.44 178.84 1gqk h LYS 24 N 0.22 1.16 -0.35 1.25 1.57 -1.13 -0.54 116.57 118.75 1gqk h LYS 24 Ca 0.19 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1gqk h LYS 24 Cb 0.23 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1gqk h LYS 24 CO -0.25 0.77 0.21 1.15 -0.57 0.00 0.00 179.45 180.77 1gqk h THR 25 N 1.20 1.12 -0.69 -0.16 2.02 -0.72 -1.17 112.91 114.51 1gqk h THR 25 Ca 0.34 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1gqk h THR 25 Cb -0.10 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 1gqk h THR 25 CO -0.08 0.12 0.40 1.88 0.37 0.00 0.00 175.52 178.20 1gqk h TYR 26 N 0.46 0.92 -0.50 3.16 0.05 -0.76 -1.60 116.97 118.71 1gqk h TYR 26 Ca 0.13 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.89 1gqk h TYR 26 Cb 0.00 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.42 1gqk h TYR 26 CO -0.04 0.64 0.28 1.96 -1.05 0.00 0.00 178.16 179.96 1gqk h GLN 27 N 0.94 0.68 -0.01 4.88 4.20 -0.75 0.30 115.11 125.36 1gqk h GLN 27 Ca 0.24 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.70 1gqk h GLN 27 Cb 0.00 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1gqk h GLN 27 CO -0.04 0.50 -0.85 0.87 -0.67 0.00 0.00 178.83 178.63 1gqk h LYS 28 N 0.69 0.24 0.23 1.46 1.79 -0.75 -3.33 116.57 116.90 1gqk h LYS 28 Ca 0.18 -0.25 -0.33 0.00 -2.18 0.00 0.00 60.65 58.07 1gqk h LYS 28 Cb 0.00 0.07 0.04 0.00 -1.58 0.00 0.00 32.23 30.76 1gqk h LYS 28 CO -0.03 0.96 -1.43 1.96 -1.08 0.00 0.00 179.45 179.83 1gqk h GLN 29 N 0.14 0.55 -3.86 3.15 4.20 -0.84 -3.42 115.11 115.03 1gqk h GLN 29 Ca -0.04 -0.89 -0.67 0.00 0.06 0.00 0.00 58.65 57.11 1gqk h GLN 29 Cb 1.46 0.32 -0.38 0.00 0.30 0.00 0.00 27.48 29.19 1gqk h GLN 29 CO 0.13 1.42 -0.55 0.42 -0.67 0.00 0.00 178.83 179.58 1gqk s ILE 30 N -2.68 2.99 -0.12 2.54 -1.09 0.05 -4.15 121.20 118.75 1gqk s ILE 30 Ca -0.09 -2.83 0.17 0.00 -2.23 0.00 0.00 60.65 55.67 1gqk s ILE 30 Cb 0.04 -3.05 -0.24 0.00 -1.58 0.00 0.00 42.46 37.63 1gqk s ILE 30 CO 0.94 -0.77 0.18 0.54 -1.23 0.00 0.00 174.94 174.60 1gqk n ARG 31 N 3.67 0.94 -4.14 2.79 1.74 0.95 -4.70 116.66 117.90 1gqk n ARG 31 Ca 0.05 -0.06 -0.10 0.00 -0.77 0.00 0.00 57.85 56.96 1gqk n ARG 31 Cb 0.37 -1.45 -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 -2.73 0.77 -0.22 -1.55 3.76 -1.01 -4.98 115.29 109.33 1gqk s HIS 32 Ca -0.08 -0.94 0.02 0.00 -0.15 0.00 0.00 55.06 53.91 1gqk s HIS 32 Cb 0.08 -0.47 0.05 0.00 1.11 0.00 0.00 32.58 33.34 1gqk s HIS 32 CO 0.74 -0.21 -0.12 -1.17 -0.85 0.00 0.00 174.74 173.14 1gqk s LEU 33 N -2.94 2.69 -0.28 0.89 2.96 -1.26 -0.15 118.68 120.59 1gqk s LEU 33 Ca 0.09 -1.06 -0.08 0.00 -0.22 0.00 0.00 54.13 52.86 1gqk s LEU 33 Cb 0.05 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.35 1gqk s LEU 33 CO -0.06 -0.15 0.11 -2.28 -1.32 0.00 0.00 176.35 172.65 1gqk s HIS 34 N 1.28 3.13 -0.20 5.38 5.65 0.34 -1.67 115.29 129.20 1gqk s HIS 34 Ca -0.03 -0.53 -0.03 0.00 0.25 0.00 0.00 55.06 54.72 1gqk s HIS 34 Cb -0.17 -2.29 0.06 0.00 -1.18 0.00 0.00 32.58 29.00 1gqk s HIS 34 CO -0.08 -0.41 0.04 0.08 -0.65 0.00 0.00 174.74 173.72 1gqk s VAL 35 N 1.60 0.48 0.06 0.89 1.01 -0.72 -1.57 120.40 122.16 1gqk s VAL 35 Ca 0.05 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1gqk s VAL 35 Cb -0.16 -1.03 -0.24 0.00 0.00 0.00 0.00 36.38 34.94 1gqk s VAL 35 CO 0.05 -0.25 1.05 0.00 0.00 0.00 0.00 175.10 175.94 1gqk h ALA 36 N 8.25 0.37 -2.35 5.51 0.00 -1.82 -3.33 119.26 125.89 1gqk h ALA 36 Ca -0.16 -1.06 -0.48 0.00 0.00 0.00 0.00 54.91 53.21 1gqk h ALA 36 Cb 1.11 0.09 0.14 0.00 0.00 0.00 0.00 17.79 19.13 1gqk h ALA 36 CO 0.34 1.25 0.26 0.20 0.00 0.00 0.00 179.25 181.30 1gqk s GLY 37 N -4.83 1.61 0.00 0.00 0.00 -1.23 -4.97 107.32 97.91 1gqk s GLY 37 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1gqk s GLY 37 CO 0.84 0.38 0.65 2.09 0.00 0.00 0.00 173.10 177.06 1gqk n ASP 38 N -3.83 0.00 -4.72 1.64 5.75 -1.26 -4.78 116.55 109.35 1gqk n ASP 38 Ca 0.07 -1.41 -0.31 0.00 -0.01 0.00 0.00 54.79 53.13 1gqk n ASP 38 Cb 0.56 -0.08 0.13 0.00 -1.03 0.00 0.00 41.12 40.69 1gqk n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1gqk s SER 39 N -0.41 3.71 0.27 -1.12 1.04 -1.26 -4.72 113.70 111.21 1gqk s SER 39 Ca 0.00 2.00 0.00 0.00 0.48 0.00 0.00 55.95 58.44 1gqk s SER 39 Cb 0.00 -2.54 0.53 0.00 0.10 0.00 0.00 66.02 64.11 1gqk s SER 39 CO 0.00 -2.57 1.81 -0.65 0.98 0.00 0.00 173.24 172.81 1gqk h PRO 40 N -1.50 0.85 -0.36 4.02 0.11 -1.98 0.37 132.00 133.52 1gqk h PRO 40 Ca -0.43 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 1gqk h PRO 40 Cb 1.25 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1gqk h PRO 40 CO 0.46 0.56 -0.18 1.15 -0.21 0.00 0.00 178.00 179.79 1gqk h THR 41 N 0.88 1.29 -0.48 -1.15 2.02 -1.92 0.42 112.91 113.96 1gqk h THR 41 Ca 0.48 -1.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.29 1gqk h THR 41 Cb 0.52 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1gqk h THR 41 CO -0.29 0.43 0.07 0.40 0.37 0.00 0.00 175.52 176.51 1gqk h ILE 42 N 0.54 1.25 -0.84 3.11 1.08 -1.74 -1.34 117.51 119.56 1gqk h ILE 42 Ca 0.08 -0.92 0.05 0.00 -0.39 0.00 0.00 64.86 63.67 1gqk h ILE 42 Cb 0.73 0.92 -0.05 0.00 -3.07 0.00 0.00 36.82 35.35 1gqk h ILE 42 CO 0.05 0.33 0.55 0.78 -0.69 0.00 0.00 178.15 179.17 1gqk h ASN 43 N 0.67 0.86 -0.37 1.72 2.35 -0.83 0.84 115.58 120.82 1gqk h ASN 43 Ca 0.14 -0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 1gqk h ASN 43 Cb 0.40 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1gqk h ASN 43 CO 0.01 0.58 -0.21 0.00 -1.65 0.00 0.00 177.43 176.15 1gqk h ALA 44 N 1.53 0.82 -0.38 -0.83 0.00 -0.42 -0.41 119.26 119.56 1gqk h ALA 44 Ca 0.35 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1gqk h ALA 44 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1gqk h ALA 44 CO -0.11 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.80 1gqk h ALA 45 N 1.01 0.51 -0.39 0.00 0.00 -0.35 -1.89 119.26 118.15 1gqk h ALA 45 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1gqk h ALA 45 Cb 0.75 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1gqk h ALA 45 CO 0.06 0.26 0.26 0.00 0.00 0.00 0.00 179.25 179.83 1gqk h ALA 46 N 0.89 0.50 -0.74 0.00 0.00 -0.72 -0.71 119.26 118.48 1gqk h ALA 46 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1gqk h ALA 46 Cb 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1gqk h ALA 46 CO 0.02 -0.05 0.30 0.00 0.00 0.00 0.00 179.25 179.52 1gqk h ALA 47 N 1.14 1.14 -0.42 0.00 0.00 -0.98 0.12 119.26 120.26 1gqk h ALA 47 Ca 0.14 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1gqk h ALA 47 Cb -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1gqk h ALA 47 CO -0.03 0.62 -0.03 1.49 0.00 0.00 0.00 179.25 181.30 1gqk h GLU 48 N 1.06 0.76 -0.37 0.00 4.57 -0.83 -2.08 114.58 117.69 1gqk h GLU 48 Ca 0.25 -0.26 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 1gqk h GLU 48 Cb 0.19 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1gqk h GLU 48 CO -0.02 0.85 -0.27 -0.07 -1.18 0.00 0.00 179.01 178.32 1gqk h LEU 49 N 0.59 0.79 0.33 1.64 3.38 -0.87 0.33 115.31 121.49 1gqk h LEU 49 Ca 0.12 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1gqk h LEU 49 Cb 0.52 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1gqk h LEU 49 CO 0.03 1.02 -0.16 -0.61 0.09 0.00 0.00 178.44 178.81 1gqk h GLN 50 N 0.66 -0.42 -0.36 1.13 4.15 -0.63 0.17 115.11 119.82 1gqk h GLN 50 Ca 0.08 0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.41 1gqk h GLN 50 Cb 0.79 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 1gqk h GLN 50 CO 0.07 -0.28 -0.27 0.07 -1.93 0.00 0.00 178.83 176.49 1gqk h ARG 51 N -0.44 0.73 0.11 1.69 0.11 -1.31 -2.29 114.38 112.99 1gqk h ARG 51 Ca -0.04 -0.31 -0.01 0.00 0.10 0.00 0.00 59.98 59.72 1gqk h ARG 51 Cb 0.34 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1gqk h ARG 51 CO 0.07 0.92 -0.05 0.78 0.10 0.00 0.00 179.97 181.79 1gqk h GLY 52 N 0.97 -0.15 1.00 0.08 0.00 -0.21 -2.21 103.07 102.54 1gqk h GLY 52 Ca 0.08 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1gqk h GLY 52 CO 0.06 -0.06 0.34 1.41 0.00 0.00 0.00 176.54 178.29 1gqk h LEU 53 N -0.76 0.85 -0.88 3.11 3.38 -0.77 -1.20 115.31 119.04 1gqk h LEU 53 Ca -0.02 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1gqk h LEU 53 Cb 0.56 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1gqk h LEU 53 CO 0.02 0.73 0.56 0.28 0.09 0.00 0.00 178.44 180.13 1gqk h SER 54 N 0.91 1.02 -0.03 -0.43 0.02 -1.47 0.19 113.55 113.77 1gqk h SER 54 Ca 0.23 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1gqk h SER 54 Cb 0.09 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1gqk h SER 54 CO -0.03 0.76 -0.06 1.23 -1.14 0.00 0.00 176.83 177.58 1gqk h GLY 55 N 1.19 0.10 1.72 -3.77 0.00 -1.22 -2.33 103.07 98.75 1gqk h GLY 55 Ca 0.32 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.42 1gqk h GLY 55 CO -0.07 0.11 -0.39 1.41 0.00 0.00 0.00 176.54 177.60 1gqk h LEU 56 N -0.47 0.33 -1.78 3.11 3.38 -1.13 -1.97 115.31 116.78 1gqk h LEU 56 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1gqk h LEU 56 Cb 0.66 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1gqk h LEU 56 CO 0.01 0.69 -0.02 0.18 0.09 0.00 0.00 178.44 179.39 1gqk n LEU 57 N -4.04 2.79 -3.98 1.67 4.32 0.67 -1.63 117.00 116.81 1gqk n LEU 57 Ca -0.01 -0.93 -0.31 0.00 -0.02 0.00 0.00 56.01 54.73 1gqk n LEU 57 Cb 0.47 -0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.28 1gqk n LEU 57 CO 0.42 0.47 0.03 -3.20 -1.22 0.00 0.00 177.39 173.89 1gqk n ASN 58 N 1.16 -3.72 -3.56 -1.43 5.15 -0.89 -4.94 115.26 107.04 1gqk n ASN 58 Ca 0.14 -0.86 -0.14 0.00 -0.60 0.00 0.00 54.58 53.12 1gqk n ASN 58 Cb 0.57 -3.53 -0.05 0.00 -0.53 0.00 0.00 39.78 36.23 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 1.06 -0.27 1.20 -2.85 -1.11 -5.06 119.74 106.06 1gqk s LYS 59 Ca 0.57 -0.19 -0.29 0.00 -1.00 0.00 0.00 55.97 55.06 1gqk s LYS 59 Cb -0.29 0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 35.96 1gqk s LYS 59 CO 0.86 -0.38 1.35 -2.14 0.10 0.00 0.00 175.35 175.14 1gqk s PRO 60 N -2.39 3.93 -0.19 1.78 0.02 -1.26 -4.15 135.00 132.74 1gqk s PRO 60 Ca -0.06 1.36 -0.02 0.00 0.02 0.00 0.00 61.00 62.31 1gqk s PRO 60 Cb -0.01 -3.89 0.00 0.00 0.02 0.00 0.00 34.50 30.62 1gqk s PRO 60 CO -0.01 -1.10 -0.11 0.42 -0.33 0.00 0.00 177.00 175.87 1gqk s ILE 61 N 4.40 2.85 -0.11 2.83 -1.09 -1.26 -5.02 121.20 123.80 1gqk s ILE 61 Ca 0.59 -0.68 0.03 0.00 -2.23 0.00 0.00 60.65 58.36 1gqk s ILE 61 Cb -0.19 -2.25 -0.00 0.00 -1.58 0.00 0.00 42.46 38.44 1gqk s ILE 61 CO 0.23 0.48 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.50 1gqk s VAL 62 N 1.27 2.16 0.16 2.92 1.01 -1.26 -4.68 120.40 121.98 1gqk s VAL 62 Ca 0.03 -0.98 -0.32 0.00 0.00 0.00 0.00 61.98 60.72 1gqk s VAL 62 Cb -0.14 -1.83 -0.10 0.00 0.00 0.00 0.00 36.38 34.31 1gqk s VAL 62 CO -0.05 0.56 1.56 0.00 0.00 0.00 0.00 175.10 177.16 1gqk s ALA 63 N 0.39 3.77 0.02 5.51 0.00 -1.26 -4.30 121.76 125.89 1gqk s ALA 63 Ca -0.17 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.12 1gqk s ALA 63 Cb -0.18 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 1gqk s ALA 63 CO 0.08 -0.77 0.04 1.03 0.00 0.00 0.00 175.76 176.14 1gqk s ARG 64 N 1.14 0.41 -0.59 0.00 0.52 -0.67 -4.97 118.95 114.79 1gqk s ARG 64 Ca 0.70 -0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 55.29 1gqk s ARG 64 Cb -0.43 0.16 0.15 0.00 0.52 0.00 0.00 34.95 35.35 1gqk s ARG 64 CO 0.31 -0.08 0.41 0.34 0.02 0.00 0.00 175.30 176.30 1gqk s ASP 65 N -1.57 5.37 0.23 0.23 2.15 -1.25 -1.76 116.67 120.06 1gqk s ASP 65 Ca -0.13 -2.64 -0.01 0.00 0.43 0.00 0.00 52.55 50.19 1gqk s ASP 65 Cb -0.08 -1.88 -0.03 0.00 -0.30 0.00 0.00 42.92 40.63 1gqk s ASP 65 CO -0.01 -0.43 0.20 -1.83 -0.17 0.00 0.00 175.17 172.93 1gqk s GLU 66 N 0.26 1.33 0.13 4.34 -1.05 -1.26 -5.06 118.70 117.39 1gqk s GLU 66 Ca 0.15 -1.64 -0.34 0.00 -0.15 0.00 0.00 54.97 52.99 1gqk s GLU 66 Cb -0.20 0.31 -0.14 0.00 -0.44 0.00 0.00 34.13 33.65 1gqk s GLU 66 CO -0.04 -0.47 1.60 1.17 0.95 0.00 0.00 175.26 178.47 1gqk n LYS 67 N -0.34 2.10 -1.66 -4.83 4.81 -1.26 -4.81 118.16 112.17 1gqk n LYS 67 Ca 0.02 0.76 -0.50 0.00 -0.87 0.00 0.00 58.31 57.73 1gqk n LYS 67 Cb 0.65 -2.53 -0.05 0.00 0.02 0.00 0.00 35.03 33.12 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 3.70 2.80 -4.93 3.14 7.94 -1.26 -4.99 117.00 123.40 1gqk n LEU 68 Ca 0.18 1.06 -0.26 0.00 -1.11 0.00 0.00 56.01 55.87 1gqk n LEU 68 Cb 0.28 -1.32 -0.03 0.00 0.53 0.00 0.00 43.42 42.88 1gqk n LEU 68 CO 0.64 -0.39 -0.11 -0.54 -1.11 0.00 0.00 177.39 175.88 1gqk s LYS 69 N 2.11 3.39 0.37 1.96 1.02 -1.26 -5.04 119.74 122.30 1gqk s LYS 69 Ca 0.87 -0.62 -0.28 0.00 0.02 0.00 0.00 55.97 55.96 1gqk s LYS 69 Cb -0.79 -2.94 -0.11 0.00 -0.52 0.00 0.00 37.83 33.47 1gqk s LYS 69 CO 0.48 0.52 1.44 0.34 -0.92 0.00 0.00 175.35 177.20 1gqk s ASP 70 N -3.22 6.41 -0.79 2.83 2.15 -1.26 -3.74 116.67 119.05 1gqk s ASP 70 Ca 0.34 2.95 -0.04 0.00 0.43 0.00 0.00 52.55 56.24 1gqk s ASP 70 Cb -0.11 -2.66 -0.04 0.00 -0.30 0.00 0.00 42.92 39.81 1gqk s ASP 70 CO 0.28 -0.82 0.68 -1.22 -0.17 0.00 0.00 175.17 173.93 1gqk n TYR 71 N 0.48 -1.77 -4.27 -5.34 4.01 -0.08 -4.75 117.16 105.44 1gqk n TYR 71 Ca 0.01 0.64 -0.28 0.00 -0.16 0.00 0.00 57.90 58.11 1gqk n TYR 71 Cb 0.40 -3.79 -0.10 0.00 -0.31 0.00 0.00 39.34 35.54 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 -3.41 4.27 -0.26 7.72 0.01 -1.08 -0.04 113.70 120.91 1gqk s SER 72 Ca 0.28 -0.52 -0.13 0.00 1.31 0.00 0.00 55.95 56.89 1gqk s SER 72 Cb -0.04 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 1gqk s SER 72 CO 0.54 0.13 0.27 -0.22 0.41 0.00 0.00 173.24 174.37 1gqk s LEU 73 N -2.61 4.05 -0.19 2.44 2.96 0.79 -1.80 118.68 124.32 1gqk s LEU 73 Ca 0.23 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 54.28 1gqk s LEU 73 Cb -0.10 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.32 1gqk s LEU 73 CO 0.14 -0.09 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.33 1gqk s VAL 74 N 1.75 3.26 0.12 1.68 1.01 0.02 -0.50 120.40 127.74 1gqk s VAL 74 Ca 0.11 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.63 1gqk s VAL 74 Cb -0.15 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1gqk s VAL 74 CO 0.09 0.46 -0.18 0.27 0.00 0.00 0.00 175.10 175.74 1gqk s ILE 75 N 1.12 2.83 -5.00 2.22 -4.36 -0.61 -1.36 121.20 116.04 1gqk s ILE 75 Ca 0.01 -1.53 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 1gqk s ILE 75 Cb -0.15 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 41.26 1gqk s ILE 75 CO -0.01 0.09 0.00 0.61 0.24 0.00 0.00 174.94 175.86 1gqk n GLY 76 N 0.75 -0.72 3.72 6.27 0.00 -0.73 -4.33 105.19 110.16 1gqk n GLY 76 Ca -0.15 -1.60 -0.23 0.00 0.00 0.00 0.00 46.02 44.04 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 3.31 0.51 2.61 -4.23 -1.26 -2.54 115.64 112.12 1gqk s THR 77 Ca 0.00 -1.71 0.22 0.00 -1.18 0.00 0.00 61.69 59.03 1gqk s THR 77 Cb 0.00 -3.00 0.38 0.00 1.34 0.00 0.00 72.50 71.22 1gqk s THR 77 CO 0.00 -0.25 1.99 -0.65 -0.54 0.00 0.00 174.62 175.17 1gqk h PRO 78 N 1.62 0.09 -0.05 3.99 0.11 -1.81 0.17 132.00 136.12 1gqk h PRO 78 Ca -0.44 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 1gqk h PRO 78 Cb 1.25 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1gqk h PRO 78 CO 0.62 0.06 -0.64 -0.44 -0.21 0.00 0.00 178.00 177.39 1gqk h ASP 79 N 0.10 0.21 -0.00 -2.05 3.32 -1.91 -3.35 116.42 112.73 1gqk h ASP 79 Ca 0.26 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1gqk h ASP 79 Cb 0.89 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1gqk h ASP 79 CO -0.03 0.79 -0.05 -0.46 -1.72 0.00 0.00 179.24 177.78 1gqk n ASN 80 N -3.83 1.10 -3.64 6.45 0.23 -0.91 -4.90 115.26 109.76 1gqk n ASN 80 Ca -0.02 -1.05 -0.29 0.00 -0.53 0.00 0.00 54.58 52.68 1gqk n ASN 80 Cb 0.64 0.25 -0.15 0.00 -2.08 0.00 0.00 39.78 38.45 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 -0.66 3.77 0.46 0.53 0.15 -0.00 -3.50 113.70 114.46 1gqk s SER 81 Ca 0.05 -1.51 0.21 0.00 0.70 0.00 0.00 55.95 55.40 1gqk s SER 81 Cb 0.04 -0.62 1.21 0.00 -1.71 0.00 0.00 66.02 64.94 1gqk s SER 81 CO 0.09 -0.42 1.89 -0.65 1.20 0.00 0.00 173.24 175.35 1gqk h PRO 82 N 8.18 0.26 -0.62 5.44 0.11 -1.83 -0.44 132.00 143.09 1gqk h PRO 82 Ca -0.16 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 1gqk h PRO 82 Cb 1.01 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1gqk h PRO 82 CO 0.45 0.17 0.38 -0.07 -0.21 0.00 0.00 178.00 178.72 1gqk h LEU 83 N 0.26 0.74 -0.45 2.35 3.38 -1.94 -1.05 115.31 118.60 1gqk h LEU 83 Ca 0.41 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 1gqk h LEU 83 Cb 1.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1gqk h LEU 83 CO -0.10 0.57 -0.04 0.40 0.09 0.00 0.00 178.44 179.35 1gqk h ILE 84 N 0.84 1.27 -0.57 1.22 1.08 -1.42 -2.97 117.51 116.95 1gqk h ILE 84 Ca 0.22 -1.12 -0.01 0.00 -0.39 0.00 0.00 64.86 63.57 1gqk h ILE 84 Cb -0.04 1.08 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 1gqk h ILE 84 CO -0.04 0.39 0.33 0.00 -0.69 0.00 0.00 178.15 178.14 1gqk h ALA 85 N 0.89 1.51 0.00 1.87 0.00 -1.03 -2.50 119.26 120.01 1gqk h ALA 85 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1gqk h ALA 85 Cb 0.56 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1gqk h ALA 85 CO 0.03 0.42 -0.04 0.66 0.00 0.00 0.00 179.25 180.32 1gqk h SER 86 N 0.79 0.00 0.71 0.00 4.64 -1.03 -1.45 113.55 117.21 1gqk h SER 86 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1gqk h SER 86 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1gqk h SER 86 CO -0.04 0.04 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1gqk n LEU 87 N -3.41 0.14 -3.96 5.97 4.77 -0.94 -4.92 117.00 114.66 1gqk n LEU 87 Ca -0.02 0.53 -0.32 0.00 -0.03 0.00 0.00 56.01 56.16 1gqk n LEU 87 Cb 0.15 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.74 1gqk n LEU 87 CO 0.25 -0.23 -0.21 0.59 -1.33 0.00 0.00 177.39 176.47 1gqk n ASN 88 N -1.64 -2.33 0.25 -1.43 5.03 -0.55 -4.84 115.26 109.75 1gqk n ASN 88 Ca 0.04 -1.11 0.11 0.00 0.87 0.00 0.00 54.58 54.49 1gqk n ASN 88 Cb 0.24 -2.65 0.64 0.00 -1.02 0.00 0.00 39.78 36.99 1gqk n ASN 88 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1gqk h LEU 89 N -2.02 0.00 0.00 3.41 3.38 -1.83 -3.47 115.31 114.78 1gqk h LEU 89 Ca -0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1gqk h LEU 89 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1gqk h LEU 89 CO 0.57 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.87 1gqk n GLY 90 N -0.52 2.88 0.37 0.83 0.00 -1.26 -3.04 105.19 104.46 1gqk n GLY 90 Ca -0.01 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1gqk n GLY 90 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1gqk h GLU 91 N 0.00 0.63 -0.69 1.61 4.81 -1.98 -0.73 114.58 118.23 1gqk h GLU 91 Ca 0.00 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1gqk h GLU 91 Cb 0.00 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 1gqk h GLU 91 CO 0.00 0.42 0.44 -0.09 -0.73 0.00 0.00 179.01 179.05 1gqk h ARG 92 N 0.65 0.84 0.11 1.92 2.43 -1.94 -0.26 114.38 118.12 1gqk h ARG 92 Ca 0.45 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.40 1gqk h ARG 92 Cb 0.79 -0.19 0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1gqk h ARG 92 CO -0.21 0.56 -0.75 1.25 -1.51 0.00 0.00 179.97 179.31 1gqk h LEU 93 N 0.87 0.47 -1.30 3.80 5.85 -1.49 -3.35 115.31 120.15 1gqk h LEU 93 Ca 0.27 -0.92 0.06 0.00 0.84 0.00 0.00 57.88 58.13 1gqk h LEU 93 Cb -0.00 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1gqk h LEU 93 CO -0.10 1.35 0.51 -0.61 -0.34 0.00 0.00 178.44 179.25 1gqk h GLN 94 N -0.34 0.84 -0.00 1.25 4.15 -0.91 -1.39 115.11 118.71 1gqk h GLN 94 Ca -0.13 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.24 1gqk h GLN 94 Cb 1.57 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 29.07 1gqk h GLN 94 CO 0.14 0.56 0.00 0.00 -1.93 0.00 0.00 178.83 177.60 1gqk h ALA 95 N 1.57 1.10 0.00 3.38 0.00 -1.18 -2.26 119.26 121.87 1gqk h ALA 95 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1gqk h ALA 95 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1gqk h ALA 95 CO -0.11 -0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.42 1gqk n LEU 96 N -3.22 0.00 0.00 0.00 4.77 -0.52 -5.00 117.00 113.03 1gqk n LEU 96 Ca -0.03 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1gqk n LEU 96 Cb 0.07 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1gqk n LEU 96 CO 0.21 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1gqk n GLY 97 N 0.74 -0.51 0.01 -0.72 0.00 -0.85 -1.88 105.19 101.97 1gqk n GLY 97 Ca 0.11 -1.08 0.10 0.00 0.00 0.00 0.00 46.02 45.15 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 1.38 1.95 -0.43 4.61 0.00 -1.26 -3.73 120.51 123.03 1gqk n ALA 98 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1gqk n ALA 98 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 -1.57 0.33 -2.16 0.00 1.02 -1.26 -4.45 120.64 112.56 1gqk n GLU 99 Ca 0.05 -0.18 -0.27 0.00 -0.02 0.00 0.00 57.16 56.74 1gqk n GLU 99 Cb 0.25 -0.62 0.13 0.00 -0.02 0.00 0.00 31.44 31.18 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 -0.10 1.74 0.17 0.62 0.00 -0.79 -4.39 107.32 104.58 1gqk s GLY 100 Ca 0.00 -1.23 -0.23 0.00 0.00 0.00 0.00 44.72 43.26 1gqk s GLY 100 CO 0.00 -0.62 0.61 -2.52 0.00 0.00 0.00 173.10 170.58 1gqk s TYR 101 N -3.53 -0.50 -0.09 1.90 -0.85 -0.56 -4.28 117.35 109.43 1gqk s TYR 101 Ca 0.68 0.27 0.04 0.00 -0.52 0.00 0.00 57.07 57.54 1gqk s TYR 101 Cb -0.06 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.85 1gqk s TYR 101 CO 0.49 -0.88 -0.21 -1.17 -1.52 0.00 0.00 175.55 172.25 1gqk s LEU 102 N -2.76 2.00 -0.22 -3.49 2.96 0.15 -1.98 118.68 115.33 1gqk s LEU 102 Ca 0.02 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.38 1gqk s LEU 102 Cb -0.01 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.37 1gqk s LEU 102 CO -0.11 0.13 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.26 1gqk s LEU 103 N 0.43 2.95 -0.18 -0.68 1.43 0.12 -0.92 118.68 121.83 1gqk s LEU 103 Ca -0.17 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 1gqk s LEU 103 Cb -0.17 -1.75 0.06 0.00 0.03 0.00 0.00 46.19 44.35 1gqk s LEU 103 CO 0.07 -0.03 0.45 -0.70 0.23 0.00 0.00 176.35 176.38 1gqk s GLU 104 N 1.49 0.44 -0.09 1.70 2.12 -0.80 -0.16 118.70 123.40 1gqk s GLU 104 Ca 0.06 0.83 -0.30 0.00 0.36 0.00 0.00 54.97 55.92 1gqk s GLU 104 Cb -0.14 0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.25 1gqk s GLU 104 CO -0.03 -0.15 1.02 -1.14 -0.54 0.00 0.00 175.26 174.42 1gqk s GLN 105 N 1.32 4.43 0.00 4.30 0.74 0.32 -0.35 119.66 130.42 1gqk s GLN 105 Ca -0.09 1.42 0.00 0.00 0.05 0.00 0.00 55.36 56.74 1gqk s GLN 105 Cb -0.08 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.50 1gqk s GLN 105 CO -0.12 -0.31 0.00 -2.37 -0.55 0.00 0.00 175.29 171.94 1gqk n THR 106 N 4.51 0.00 -4.60 -0.34 5.66 0.14 -4.77 114.28 114.88 1gqk n THR 106 Ca 0.09 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.87 1gqk n THR 106 Cb 0.49 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.12 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 0.47 1.11 -0.12 1.09 1.81 -1.26 -1.72 118.95 120.33 1gqk s ARG 107 Ca 0.00 -0.55 -0.01 0.00 -1.72 0.00 0.00 55.73 53.45 1gqk s ARG 107 Cb 0.00 -1.08 0.03 0.00 -0.45 0.00 0.00 34.95 33.46 1gqk s ARG 107 CO 0.00 0.29 -0.02 0.42 -0.68 0.00 0.00 175.30 175.31 1gqk s ILE 108 N -0.42 0.68 -1.35 1.52 1.01 -0.62 -4.85 121.20 117.17 1gqk s ILE 108 Ca 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 1gqk s ILE 108 Cb -0.06 -0.86 -0.00 0.00 0.01 0.00 0.00 42.46 41.55 1gqk s ILE 108 CO -0.00 0.19 0.52 0.59 0.00 0.00 0.00 174.94 176.24 1gqk n ASN 109 N 5.04 -1.00 0.00 3.58 3.02 -1.26 -1.03 115.26 123.60 1gqk n ASN 109 Ca -0.09 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1gqk n ASN 109 Cb 0.49 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.35 1gqk n ASN 109 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1gqk n LYS 110 N -4.35 -0.37 -3.21 3.52 4.76 -1.26 -4.98 118.16 112.27 1gqk n LYS 110 Ca -0.29 0.09 -0.39 0.00 -2.87 0.00 0.00 58.31 54.86 1gqk n LYS 110 Cb 0.68 -4.27 -0.06 0.00 -1.84 0.00 0.00 35.03 29.53 1gqk n LYS 110 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1gqk s ARG 111 N -1.01 4.28 0.00 1.97 3.00 -0.20 -5.03 118.95 121.96 1gqk s ARG 111 Ca 0.00 0.82 -0.30 0.00 0.00 0.00 0.00 55.73 56.25 1gqk s ARG 111 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 34.95 31.66 1gqk s ARG 111 CO 0.00 0.60 1.16 -1.01 0.00 0.00 0.00 175.30 176.05 1gqk s HIS 112 N -1.04 3.39 0.12 -0.53 3.76 -1.26 -1.58 115.29 118.14 1gqk s HIS 112 Ca 0.30 1.34 -0.05 0.00 -0.15 0.00 0.00 55.06 56.51 1gqk s HIS 112 Cb -0.20 -3.36 -0.02 0.00 1.11 0.00 0.00 32.58 30.10 1gqk s HIS 112 CO 0.20 -1.05 0.13 0.14 -0.85 0.00 0.00 174.74 173.32 1gqk s VAL 113 N 1.50 0.12 -0.10 -0.90 -7.23 -0.70 -0.90 120.40 112.20 1gqk s VAL 113 Ca 0.56 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 59.15 1gqk s VAL 113 Cb -0.26 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 34.92 1gqk s VAL 113 CO 0.26 -0.54 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.64 1gqk s VAL 114 N -3.97 1.64 0.08 1.32 1.01 -0.74 -0.68 120.40 119.05 1gqk s VAL 114 Ca 0.16 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1gqk s VAL 114 Cb 0.06 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1gqk s VAL 114 CO -0.03 0.47 0.13 0.27 0.00 0.00 0.00 175.10 175.94 1gqk s ILE 115 N 0.69 4.88 -0.38 2.22 -4.36 0.53 -0.79 121.20 123.98 1gqk s ILE 115 Ca -0.12 -0.63 0.04 0.00 -0.26 0.00 0.00 60.65 59.68 1gqk s ILE 115 Cb -0.16 -3.37 0.11 0.00 1.25 0.00 0.00 42.46 40.29 1gqk s ILE 115 CO 0.03 0.12 0.10 -0.69 0.24 0.00 0.00 174.94 174.74 1gqk s VAL 116 N -1.45 2.38 0.03 8.37 1.01 -0.46 -1.90 120.40 128.38 1gqk s VAL 116 Ca 0.32 -2.54 0.07 0.00 0.00 0.00 0.00 61.98 59.83 1gqk s VAL 116 Cb -0.12 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1gqk s VAL 116 CO 0.24 -0.64 -0.19 0.00 0.00 0.00 0.00 175.10 174.51 1gqk s ALA 117 N 0.66 2.55 0.27 5.51 0.00 -0.10 -1.78 121.76 128.88 1gqk s ALA 117 Ca 0.12 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 1gqk s ALA 117 Cb -0.21 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.19 1gqk s ALA 117 CO -0.06 0.57 0.58 0.00 0.00 0.00 0.00 175.76 176.84 1gqk s ALA 118 N -0.88 -0.54 -0.04 0.00 0.00 -1.05 0.31 121.76 119.56 1gqk s ALA 118 Ca 0.14 -0.72 0.12 0.00 0.00 0.00 0.00 51.96 51.50 1gqk s ALA 118 Cb -0.10 0.98 -0.12 0.00 0.00 0.00 0.00 23.12 23.87 1gqk s ALA 118 CO 0.04 -0.92 1.12 -0.91 0.00 0.00 0.00 175.76 175.09 1gqk h ASN 119 N 2.15 0.00 -3.26 0.00 2.35 -1.77 -3.37 115.58 111.69 1gqk h ASN 119 Ca -0.24 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.06 1gqk h ASN 119 Cb 1.25 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.48 1gqk h ASN 119 CO 0.32 0.77 -0.68 -0.94 -1.65 0.00 0.00 177.43 175.25 1gqk s SER 120 N -6.33 2.46 0.21 5.81 1.04 -1.26 -4.87 113.70 110.76 1gqk s SER 120 Ca -0.00 -1.16 -0.08 0.00 0.48 0.00 0.00 55.95 55.19 1gqk s SER 120 Cb 0.09 -0.11 0.15 0.00 0.10 0.00 0.00 66.02 66.24 1gqk s SER 120 CO 0.80 -0.35 1.77 0.44 0.98 0.00 0.00 173.24 176.88 1gqk h ASP 121 N 2.40 1.08 0.31 7.02 3.32 -1.92 -2.42 116.42 126.22 1gqk h ASP 121 Ca -0.39 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.42 1gqk h ASP 121 Cb 1.23 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1gqk h ASP 121 CO 0.65 0.96 -0.30 -0.37 -1.72 0.00 0.00 179.24 178.46 1gqk h VAL 122 N 1.13 1.20 -0.76 -1.35 -1.51 -1.93 -1.63 116.25 111.40 1gqk h VAL 122 Ca 0.26 -1.05 -0.06 0.00 -1.23 0.00 0.00 66.70 64.62 1gqk h VAL 122 Cb 0.23 1.57 -0.03 0.00 -2.13 0.00 0.00 31.29 30.92 1gqk h VAL 122 CO -0.02 0.30 0.26 1.23 -1.23 0.00 0.00 177.57 178.10 1gqk h GLY 123 N 0.93 1.26 1.02 5.19 0.00 -1.65 0.15 103.07 109.96 1gqk h GLY 123 Ca -0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 1gqk h GLY 123 CO 0.04 0.68 0.37 -2.08 0.00 0.00 0.00 176.54 175.55 1gqk h VAL 124 N 1.13 1.24 -0.17 4.60 2.07 -0.91 0.52 116.25 124.73 1gqk h VAL 124 Ca 0.25 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1gqk h VAL 124 Cb 0.28 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1gqk h VAL 124 CO -0.01 0.28 0.08 0.25 0.02 0.00 0.00 177.57 178.18 1gqk h LEU 125 N 1.05 0.23 -0.61 2.57 5.85 -0.92 0.16 115.31 123.64 1gqk h LEU 125 Ca 0.26 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1gqk h LEU 125 Cb 0.10 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1gqk h LEU 125 CO -0.03 0.31 0.32 1.88 -0.34 0.00 0.00 178.44 180.58 1gqk h TYR 126 N 0.14 0.85 -0.63 1.25 0.05 -0.82 -1.87 116.97 115.94 1gqk h TYR 126 Ca 0.06 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 1gqk h TYR 126 Cb 0.15 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.59 1gqk h TYR 126 CO -0.02 0.63 0.25 0.78 -1.05 0.00 0.00 178.16 178.75 1gqk h GLY 127 N 0.83 0.99 0.95 3.88 0.00 -0.74 -1.68 103.07 107.30 1gqk h GLY 127 Ca 0.21 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1gqk h GLY 127 CO -0.03 0.48 0.17 1.76 0.00 0.00 0.00 176.54 178.93 1gqk h SER 128 N 0.90 0.48 -0.67 0.19 0.02 -0.11 -0.26 113.55 114.10 1gqk h SER 128 Ca 0.21 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1gqk h SER 128 Cb 0.18 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1gqk h SER 128 CO -0.02 0.47 0.29 -0.26 -1.14 0.00 0.00 176.83 176.18 1gqk h PHE 129 N 0.45 1.02 -0.49 3.45 0.04 -0.91 -1.71 116.94 118.79 1gqk h PHE 129 Ca 0.13 -0.06 -0.10 0.00 2.80 0.00 0.00 57.97 60.74 1gqk h PHE 129 Cb 0.12 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 1gqk h PHE 129 CO -0.01 0.77 -0.08 1.25 -0.60 0.00 0.00 178.31 179.64 1gqk h HIS 130 N 1.00 1.03 -0.50 -0.55 2.76 -1.08 0.13 115.15 117.94 1gqk h HIS 130 Ca 0.24 -0.21 0.06 0.00 -2.20 0.00 0.00 60.37 58.25 1gqk h HIS 130 Cb 0.17 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 28.82 1gqk h HIS 130 CO 0.01 0.98 0.22 1.25 -1.30 0.00 0.00 177.93 179.10 1gqk h LEU 131 N 0.78 0.28 -0.84 0.26 7.12 -0.65 -0.09 115.31 122.18 1gqk h LEU 131 Ca 0.13 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.17 1gqk h LEU 131 Cb 0.62 -0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.71 1gqk h LEU 131 CO 0.04 0.20 0.47 -0.07 -0.13 0.00 0.00 178.44 178.95 1gqk h LEU 132 N 0.43 1.04 -1.17 2.25 3.38 -0.99 -2.63 115.31 117.62 1gqk h LEU 132 Ca 0.23 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1gqk h LEU 132 Cb 0.19 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1gqk h LEU 132 CO -0.20 0.83 0.45 -0.09 0.09 0.00 0.00 178.44 179.52 1gqk h ARG 133 N 1.16 1.02 -0.72 1.13 2.43 0.49 0.25 114.38 120.15 1gqk h ARG 133 Ca 0.30 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1gqk h ARG 133 Cb 0.01 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 1gqk h ARG 133 CO -0.05 0.71 0.45 -0.07 -1.51 0.00 0.00 179.97 179.50 1gqk h LEU 134 N 1.03 0.74 -0.10 3.80 3.38 -0.71 0.06 115.31 123.51 1gqk h LEU 134 Ca 0.27 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 1gqk h LEU 134 Cb -0.04 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1gqk h LEU 134 CO -0.05 0.51 -0.20 0.40 0.09 0.00 0.00 178.44 179.20 1gqk h ILE 135 N 0.88 1.39 -0.39 1.22 2.04 -1.15 0.41 117.51 121.91 1gqk h ILE 135 Ca 0.29 -1.48 0.04 0.00 1.00 0.00 0.00 64.86 64.71 1gqk h ILE 135 Cb 0.02 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1gqk h ILE 135 CO -0.11 0.42 0.26 1.56 0.00 0.00 0.00 178.15 180.29 1gqk h GLN 136 N -0.13 0.35 -0.65 2.37 4.20 -0.23 -1.62 115.11 119.41 1gqk h GLN 136 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1gqk h GLN 136 Cb 0.78 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1gqk h GLN 136 CO 0.04 0.23 0.00 0.25 -0.67 0.00 0.00 178.83 178.68 1gqk n THR 137 N -4.48 1.27 -3.70 -0.54 -2.24 -0.02 -4.45 114.28 100.12 1gqk n THR 137 Ca 0.04 -0.96 -0.26 0.00 -2.27 0.00 0.00 64.05 60.61 1gqk n THR 137 Cb 0.19 0.24 0.06 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.17 -6.95 -3.33 -0.78 6.02 -0.61 -5.00 117.38 107.90 1gqk n GLN 138 Ca 0.22 0.74 -0.35 0.00 -0.01 0.00 0.00 57.00 57.61 1gqk n GLN 138 Cb 0.69 -5.72 -0.06 0.00 1.02 0.00 0.00 30.24 26.17 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 -3.33 3.58 0.28 1.08 3.76 0.14 -5.02 115.29 115.78 1gqk s HIS 139 Ca 0.55 1.08 -0.29 0.00 -0.15 0.00 0.00 55.06 56.25 1gqk s HIS 139 Cb -0.26 -2.39 -0.09 0.00 1.11 0.00 0.00 32.58 30.95 1gqk s HIS 139 CO 0.77 0.39 1.05 0.00 -0.85 0.00 0.00 174.74 176.09 1gqk s ALA 140 N -1.53 3.35 -0.34 -1.40 0.00 -1.26 -4.57 121.76 116.02 1gqk s ALA 140 Ca 0.40 0.79 0.23 0.00 0.00 0.00 0.00 51.96 53.38 1gqk s ALA 140 Cb -0.15 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1gqk s ALA 140 CO 0.19 -0.05 0.98 1.28 0.00 0.00 0.00 175.76 178.16 1gqk n LEU 141 N 1.13 0.64 -4.72 0.00 4.77 -1.26 -4.75 117.00 112.82 1gqk n LEU 141 Ca -0.01 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 1gqk n LEU 141 Cb 0.46 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1gqk n LEU 141 CO 0.52 -0.09 1.39 -0.70 -1.33 0.00 0.00 177.39 177.18 1gqk s GLU 142 N -3.33 4.13 -1.79 3.23 2.56 -1.26 -1.03 118.70 121.21 1gqk s GLU 142 Ca 0.00 2.60 0.00 0.00 0.00 0.00 0.00 54.97 57.57 1gqk s GLU 142 Cb 0.12 -3.15 0.00 0.00 2.00 0.00 0.00 34.13 33.10 1gqk s GLU 142 CO 0.80 -0.76 0.00 1.63 -0.56 0.00 0.00 175.26 176.37 1gqk n LYS 143 N 4.23 -1.19 -1.75 4.30 4.76 -1.26 -4.94 118.16 122.31 1gqk n LYS 143 Ca 0.16 1.09 -0.42 0.00 -2.87 0.00 0.00 58.31 56.27 1gqk n LYS 143 Cb 0.36 -5.32 -0.03 0.00 -1.84 0.00 0.00 35.03 28.20 1gqk n LYS 143 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1gqk s LEU 144 N -3.93 4.37 -0.35 -0.35 2.96 -0.19 -4.85 118.68 116.34 1gqk s LEU 144 Ca 0.00 2.85 0.05 0.00 -0.22 0.00 0.00 54.13 56.80 1gqk s LEU 144 Cb 0.00 -3.60 0.17 0.00 0.50 0.00 0.00 46.19 43.26 1gqk s LEU 144 CO 0.00 -0.96 0.49 -0.55 -1.32 0.00 0.00 176.35 174.01 1gqk s SER 145 N 1.14 -0.21 0.01 3.68 0.15 -1.24 -0.52 113.70 116.71 1gqk s SER 145 Ca 0.74 -0.79 -0.00 0.00 0.70 0.00 0.00 55.95 56.60 1gqk s SER 145 Cb -0.49 1.32 -0.01 0.00 -1.71 0.00 0.00 66.02 65.13 1gqk s SER 145 CO 0.33 -0.26 -0.01 -1.48 1.20 0.00 0.00 173.24 173.01 1gqk s LEU 146 N 2.04 2.09 0.12 3.45 0.05 0.77 -5.00 118.68 122.20 1gqk s LEU 146 Ca 0.14 -0.25 0.06 0.00 0.05 0.00 0.00 54.13 54.14 1gqk s LEU 146 Cb -0.10 0.08 -0.04 0.00 -2.05 0.00 0.00 46.19 44.08 1gqk s LEU 146 CO -0.15 -0.16 -0.15 -0.94 -0.55 0.00 0.00 176.35 174.40 1gqk s SER 147 N -0.75 2.10 -0.02 1.48 1.04 -1.26 0.13 113.70 116.41 1gqk s SER 147 Ca -0.08 -0.77 -0.19 0.00 0.48 0.00 0.00 55.95 55.39 1gqk s SER 147 Cb -0.05 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.02 1gqk s SER 147 CO -0.00 -0.09 0.40 -0.55 0.98 0.00 0.00 173.24 173.98 1gqk s SER 148 N -2.28 -0.31 -0.00 7.02 0.15 -0.84 -5.02 113.70 112.42 1gqk s SER 148 Ca 0.07 0.23 -0.05 0.00 0.70 0.00 0.00 55.95 56.91 1gqk s SER 148 Cb -0.07 0.37 -0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1gqk s SER 148 CO 0.03 -0.50 0.09 0.00 1.20 0.00 0.00 173.24 174.07 1gqk s ALA 149 N -1.35 -0.21 0.44 5.45 0.00 -1.26 -1.50 121.76 123.33 1gqk s ALA 149 Ca -0.13 -0.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.45 1gqk s ALA 149 Cb -0.04 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 23.06 1gqk s ALA 149 CO 0.05 -0.17 1.10 -1.25 0.00 0.00 0.00 175.76 175.49 1gqk s PRO 150 N -1.12 3.92 0.00 0.00 0.04 -1.26 -4.91 135.00 131.67 1gqk s PRO 150 Ca -0.12 1.60 0.24 0.00 0.04 0.00 0.00 61.00 62.76 1gqk s PRO 150 Cb -0.07 -2.41 0.40 0.00 0.04 0.00 0.00 34.50 32.47 1gqk s PRO 150 CO 0.01 -0.37 1.34 0.54 0.04 0.00 0.00 177.00 178.56 1gqk n ARG 151 N -0.41 0.15 -4.52 4.56 1.74 0.66 -4.87 116.66 113.96 1gqk n ARG 151 Ca 0.07 -0.09 -0.22 0.00 -0.77 0.00 0.00 57.85 56.83 1gqk n ARG 151 Cb 0.49 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.92 2.12 -0.06 0.55 1.43 -1.25 -4.65 118.68 113.90 1gqk s LEU 152 Ca 0.12 -0.41 -0.27 0.00 -1.03 0.00 0.00 54.13 52.55 1gqk s LEU 152 Cb 0.17 -0.73 -0.22 0.00 0.03 0.00 0.00 46.19 45.44 1gqk s LEU 152 CO 0.70 0.11 1.09 1.56 0.23 0.00 0.00 176.35 180.03 1gqk h GLN 153 N 5.19 0.03 -4.55 1.70 4.20 -1.83 -3.43 115.11 116.41 1gqk h GLN 153 Ca -0.38 -0.02 -0.71 0.00 0.06 0.00 0.00 58.65 57.60 1gqk h GLN 153 Cb 1.17 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.69 1gqk h GLN 153 CO 0.45 0.70 -0.52 -1.01 -0.67 0.00 0.00 178.83 177.79 1gqk s HIS 154 N -3.49 3.28 -0.49 2.96 3.76 0.03 -4.97 115.29 116.37 1gqk s HIS 154 Ca -0.17 -1.26 0.01 0.00 -0.15 0.00 0.00 55.06 53.49 1gqk s HIS 154 Cb 0.00 -2.59 0.13 0.00 1.11 0.00 0.00 32.58 31.23 1gqk s HIS 154 CO 0.69 -0.74 0.25 1.03 -0.85 0.00 0.00 174.74 175.12 1gqk s ARG 155 N 1.48 2.02 0.10 1.40 0.52 -1.26 -1.16 118.95 122.05 1gqk s ARG 155 Ca 0.01 -2.30 0.09 0.00 -0.52 0.00 0.00 55.73 53.01 1gqk s ARG 155 Cb -0.21 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 1gqk s ARG 155 CO 0.04 -1.08 -0.22 0.54 0.02 0.00 0.00 175.30 174.60 1gqk s VAL 156 N 0.27 1.78 0.07 3.52 0.11 -0.41 -1.13 120.40 124.61 1gqk s VAL 156 Ca 0.14 -1.56 0.03 0.00 -2.93 0.00 0.00 61.98 57.66 1gqk s VAL 156 Cb -0.22 -1.61 -0.04 0.00 -1.53 0.00 0.00 36.38 32.98 1gqk s VAL 156 CO -0.03 -0.03 0.08 0.68 -3.33 0.00 0.00 175.10 172.46 1gqk s VAL 157 N -1.13 4.54 -0.04 2.04 -7.23 -0.71 -1.23 120.40 116.64 1gqk s VAL 157 Ca 0.07 -0.72 0.06 0.00 -1.81 0.00 0.00 61.98 59.58 1gqk s VAL 157 Cb -0.10 -3.17 -0.02 0.00 0.56 0.00 0.00 36.38 33.65 1gqk s VAL 157 CO 0.04 0.16 -0.24 0.20 -0.31 0.00 0.00 175.10 174.95 1gqk s ASN 158 N -2.30 3.21 -0.16 4.85 0.01 0.26 -0.94 114.94 119.87 1gqk s ASN 158 Ca 0.28 -0.45 0.01 0.00 -0.71 0.00 0.00 52.86 52.00 1gqk s ASN 158 Cb -0.12 -0.67 0.01 0.00 0.41 0.00 0.00 41.25 40.88 1gqk s ASN 158 CO 0.21 0.28 -0.20 -1.00 -1.51 0.00 0.00 177.10 174.88 1gqk s HIS 159 N -0.39 2.74 -1.26 2.20 3.76 0.05 -2.24 115.29 120.14 1gqk s HIS 159 Ca 0.03 -1.43 -0.04 0.00 -0.15 0.00 0.00 55.06 53.47 1gqk s HIS 159 Cb -0.12 -1.88 0.16 0.00 1.11 0.00 0.00 32.58 31.86 1gqk s HIS 159 CO 0.01 -0.68 2.26 0.91 -0.85 0.00 0.00 174.74 176.39 1gqk n TRP 160 N 4.33 2.64 -3.49 1.40 8.01 -1.26 -3.05 117.44 126.01 1gqk n TRP 160 Ca -0.20 -2.77 -0.37 0.00 -1.31 0.00 0.00 57.50 52.85 1gqk n TRP 160 Cb 0.51 -1.70 -0.07 0.00 -2.01 0.00 0.00 31.31 28.05 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 -0.00 6.53 0.38 -0.99 1.11 -1.26 -1.16 116.67 121.28 1gqk s ASP 161 Ca 0.51 0.62 -0.11 0.00 0.18 0.00 0.00 52.55 53.75 1gqk s ASP 161 Cb 0.18 -2.21 -0.07 0.00 1.07 0.00 0.00 42.92 41.90 1gqk s ASP 161 CO -0.10 0.11 0.74 0.20 1.18 0.00 0.00 175.17 177.30 1gqk s ASN 162 N 0.32 6.55 0.54 0.27 0.01 -0.72 -1.16 114.94 120.74 1gqk s ASN 162 Ca 0.19 1.11 0.28 0.00 -0.71 0.00 0.00 52.86 53.74 1gqk s ASN 162 Cb -0.14 -2.31 1.55 0.00 0.41 0.00 0.00 41.25 40.76 1gqk s ASN 162 CO 0.06 -0.35 2.11 -0.07 -1.51 0.00 0.00 177.10 177.35 1gqk h LEU 163 N 1.45 0.00 0.00 0.60 3.38 -1.98 -0.08 115.31 118.68 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 0.64 0.09 0.00 -0.46 0.09 0.00 0.00 178.44 178.80 1gqk n ASN 164 N -3.65 0.00 0.00 -0.43 6.94 -1.26 -4.84 115.26 112.02 1gqk n ASN 164 Ca -0.02 0.04 0.00 0.00 -0.02 0.00 0.00 54.58 54.58 1gqk n ASN 164 Cb 0.20 -0.27 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 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 -2.98 -3.83 1.74 -0.04 -5.00 116.66 105.28 1gqk n ARG 165 Ca 0.07 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.75 1gqk n ARG 165 Cb 0.12 -2.34 -0.05 0.00 -1.02 0.00 0.00 32.46 29.17 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 -2.53 4.91 -0.17 1.55 1.01 -1.25 -0.08 120.40 123.83 1gqk s VAL 166 Ca 0.00 1.59 -0.15 0.00 0.00 0.00 0.00 61.98 63.42 1gqk s VAL 166 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1gqk s VAL 166 CO 0.00 0.28 0.36 -0.69 0.00 0.00 0.00 175.10 175.05 1gqk s VAL 167 N 0.51 5.24 -0.10 2.92 1.01 -1.26 -1.76 120.40 126.96 1gqk s VAL 167 Ca 0.40 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.75 1gqk s VAL 167 Cb -0.19 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1gqk s VAL 167 CO 0.21 0.32 1.16 -0.70 0.00 0.00 0.00 175.10 176.09 1gqk s GLU 168 N 0.86 4.34 -1.25 2.72 2.12 -0.31 -2.59 118.70 124.60 1gqk s GLU 168 Ca 0.19 1.58 -0.01 0.00 0.36 0.00 0.00 54.97 57.09 1gqk s GLU 168 Cb -0.14 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.66 1gqk s GLU 168 CO 0.07 -0.48 0.92 0.54 -0.54 0.00 0.00 175.26 175.77 1gqk n ARG 169 N 5.50 -6.18 -4.04 4.30 5.12 -1.26 -4.66 116.66 115.43 1gqk n ARG 169 Ca 0.11 0.78 -0.32 0.00 -1.93 0.00 0.00 57.85 56.49 1gqk n ARG 169 Cb 0.46 -5.66 -0.15 0.00 -1.16 0.00 0.00 32.46 25.95 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 -4.28 1.46 -0.15 -0.13 0.00 -1.07 -4.82 107.32 98.34 1gqk s GLY 170 Ca 0.05 -1.47 0.18 0.00 0.00 0.00 0.00 44.72 43.48 1gqk s GLY 170 CO 0.76 0.61 1.21 -1.72 0.00 0.00 0.00 173.10 173.95 1gqk n TYR 171 N 4.56 0.18 -1.74 1.90 4.01 -1.26 -4.55 117.16 120.25 1gqk n TYR 171 Ca -0.15 -1.02 0.04 0.00 -0.16 0.00 0.00 57.90 56.61 1gqk n TYR 171 Cb 0.45 -0.19 0.05 0.00 -0.31 0.00 0.00 39.34 39.34 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 -1.26 2.17 0.00 -0.72 0.00 -1.26 -4.47 120.51 114.97 1gqk n ALA 172 Ca 0.17 -1.69 0.00 0.00 0.00 0.00 0.00 53.44 51.93 1gqk n ALA 172 Cb 0.69 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.44 -0.87 3.83 0.00 0.00 -1.26 -2.11 105.19 104.33 1gqk n GLY 173 Ca 0.06 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 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 2.91 0.29 0.99 1.43 -1.26 -4.50 118.68 118.53 1gqk s LEU 174 Ca 0.00 1.42 -0.30 0.00 -1.03 0.00 0.00 54.13 54.22 1gqk s LEU 174 Cb 0.00 -4.20 -0.13 0.00 0.03 0.00 0.00 46.19 41.89 1gqk s LEU 174 CO 0.00 -1.58 1.34 -0.24 0.23 0.00 0.00 176.35 176.10 1gqk n SER 175 N -3.19 2.71 0.28 2.29 2.88 0.88 -0.92 113.62 118.55 1gqk n SER 175 Ca 0.07 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.92 1gqk n SER 175 Cb 0.55 -1.45 0.79 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 3.34 0.00 -8.74 2.46 3.38 -1.89 -3.42 115.31 110.44 1gqk h LEU 176 Ca -0.45 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.94 1gqk h LEU 176 Cb 1.28 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.95 1gqk h LEU 176 CO 0.69 0.07 0.80 0.26 0.09 0.00 0.00 178.44 180.35 1gqk s TRP 177 N -4.43 2.90 -1.21 1.13 0.23 -1.26 -4.95 118.94 111.34 1gqk s TRP 177 Ca -0.04 0.68 -0.13 0.00 -2.03 0.00 0.00 56.10 54.58 1gqk s TRP 177 Cb 0.14 -4.18 0.18 0.00 0.03 0.00 0.00 33.47 29.64 1gqk s TRP 177 CO 0.58 -1.14 1.47 -3.47 0.96 0.00 0.00 176.95 175.34 1gqk n ASP 178 N 7.48 5.24 0.02 2.95 2.03 -1.26 -4.84 116.55 128.17 1gqk n ASP 178 Ca 0.10 -3.00 0.13 0.00 0.52 0.00 0.00 54.79 52.54 1gqk n ASP 178 Cb 0.49 -1.55 0.57 0.00 -0.72 0.00 0.00 41.12 39.91 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 6.96 0.23 0.00 -0.67 4.06 -1.92 -1.21 115.95 123.41 1gqk h TRP 179 Ca 0.32 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.25 1gqk h TRP 179 Cb 0.85 -0.08 -0.00 0.00 -1.00 0.00 0.00 29.16 28.92 1gqk h TRP 179 CO 1.10 0.12 -0.14 0.78 -3.56 0.00 0.00 178.44 176.73 1gqk h GLY 180 N 0.23 0.00 -1.07 1.49 0.00 -1.97 -2.99 103.07 98.76 1gqk h GLY 180 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1gqk h GLY 180 CO -0.04 0.00 -0.18 -1.14 0.00 0.00 0.00 176.54 175.18 1gqk n SER 181 N -4.14 2.04 -4.86 0.19 3.41 -0.50 -4.97 113.62 104.78 1gqk n SER 181 Ca -0.02 -1.52 -0.32 0.00 -0.26 0.00 0.00 58.87 56.74 1gqk n SER 181 Cb 0.22 0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.79 4.15 0.00 1.04 1.43 -0.93 -0.07 118.68 122.51 1gqk s LEU 182 Ca 0.17 1.06 0.29 0.00 -1.03 0.00 0.00 54.13 54.63 1gqk s LEU 182 Cb 0.14 -3.79 1.35 0.00 0.03 0.00 0.00 46.19 43.92 1gqk s LEU 182 CO 0.33 -0.11 1.93 -0.81 0.23 0.00 0.00 176.35 177.92 1gqk n PRO 183 N -0.14 0.71 -0.22 1.29 -0.04 -1.26 -4.82 135.00 130.51 1gqk n PRO 183 Ca 0.01 -0.19 -0.06 0.00 -0.04 0.00 0.00 63.50 63.22 1gqk n PRO 183 Cb 0.53 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.46 0.73 -3.33 3.54 4.21 -1.87 -3.40 115.58 115.93 1gqk h ASN 184 Ca 0.00 -0.03 -0.70 0.00 1.21 0.00 0.00 56.30 56.78 1gqk h ASN 184 Cb 0.31 -0.18 -0.20 0.00 -1.12 0.00 0.00 38.32 37.13 1gqk h ASN 184 CO 0.00 0.54 -0.12 -0.47 -1.29 0.00 0.00 177.43 176.09 1gqk s TYR 185 N -6.12 3.13 -1.13 1.19 5.04 0.89 -5.00 117.35 115.36 1gqk s TYR 185 Ca -0.13 -0.62 -0.16 0.00 -2.44 0.00 0.00 57.07 53.72 1gqk s TYR 185 Cb 0.13 -3.30 0.15 0.00 0.35 0.00 0.00 41.96 39.29 1gqk s TYR 185 CO 0.76 -0.89 1.38 -0.51 -1.34 0.00 0.00 175.55 174.95 1gqk s LEU 186 N 2.23 4.87 0.36 6.97 1.43 -1.26 -4.68 118.68 128.60 1gqk s LEU 186 Ca 0.11 -2.62 -0.28 0.00 -1.03 0.00 0.00 54.13 50.31 1gqk s LEU 186 Cb -0.20 -2.42 -0.11 0.00 0.03 0.00 0.00 46.19 43.48 1gqk s LEU 186 CO 0.11 -0.90 1.51 0.00 0.23 0.00 0.00 176.35 177.30 1gqk s ALA 187 N 2.27 3.61 0.42 4.21 0.00 -1.26 -4.89 121.76 126.13 1gqk s ALA 187 Ca 0.41 1.58 0.18 0.00 0.00 0.00 0.00 51.96 54.13 1gqk s ALA 187 Cb -0.03 -3.62 1.09 0.00 0.00 0.00 0.00 23.12 20.56 1gqk s ALA 187 CO -0.02 -1.05 1.87 -1.35 0.00 0.00 0.00 175.76 175.20 1gqk h PRO 188 N 3.38 0.38 -0.26 0.00 0.11 -2.01 -1.99 132.00 131.61 1gqk h PRO 188 Ca -0.50 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.60 1gqk h PRO 188 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1gqk h PRO 188 CO 0.67 0.25 0.18 -0.09 -0.21 0.00 0.00 178.00 178.80 1gqk h ARG 189 N 0.40 0.29 -0.75 1.05 2.43 -1.99 -0.65 114.38 115.16 1gqk h ARG 189 Ca 0.45 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.62 1gqk h ARG 189 Cb 1.13 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 1gqk h ARG 189 CO -0.16 0.19 0.48 1.88 -1.51 0.00 0.00 179.97 180.85 1gqk h TYR 190 N 0.29 0.91 -0.28 2.20 0.05 -1.73 0.88 116.97 119.30 1gqk h TYR 190 Ca 0.10 0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.76 1gqk h TYR 190 Cb 0.05 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 1gqk h TYR 190 CO -0.00 0.54 -0.41 1.15 -1.05 0.00 0.00 178.16 178.39 1gqk h THR 191 N 0.96 1.29 -0.25 -2.88 2.02 -1.26 -2.48 112.91 110.31 1gqk h THR 191 Ca 0.29 -1.59 -0.10 0.00 0.77 0.00 0.00 66.41 65.78 1gqk h THR 191 Cb -0.04 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1gqk h THR 191 CO -0.09 0.51 -0.26 0.44 0.37 0.00 0.00 175.52 176.49 1gqk h ASP 192 N 0.55 0.50 -0.63 4.18 3.32 -0.91 -0.40 116.42 123.02 1gqk h ASP 192 Ca 0.04 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1gqk h ASP 192 Cb 0.94 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 1gqk h ASP 192 CO 0.09 0.75 0.23 0.22 -1.72 0.00 0.00 179.24 178.80 1gqk h TYR 193 N 0.43 1.01 -0.27 4.55 3.20 -0.68 -1.18 116.97 124.04 1gqk h TYR 193 Ca 0.06 -0.08 -0.17 0.00 3.14 0.00 0.00 58.73 61.68 1gqk h TYR 193 Cb 0.68 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1gqk h TYR 193 CO 0.02 0.80 -0.49 0.00 -1.64 0.00 0.00 178.16 176.84 1gqk h ALA 194 N 1.28 0.43 -0.22 1.82 0.00 -1.01 -2.36 119.26 119.20 1gqk h ALA 194 Ca 0.22 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1gqk h ALA 194 Cb 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1gqk h ALA 194 CO -0.01 0.60 0.12 0.00 0.00 0.00 0.00 179.25 179.96 1gqk h ARG 195 N 0.58 0.25 -0.12 0.00 3.08 -0.75 0.25 114.38 117.66 1gqk h ARG 195 Ca 0.02 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1gqk h ARG 195 Cb 1.10 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.04 1gqk h ARG 195 CO 0.11 0.16 -0.21 0.82 -1.07 0.00 0.00 179.97 179.79 1gqk h ILE 196 N 0.26 0.48 -0.37 2.04 2.04 -1.13 0.03 117.51 120.86 1gqk h ILE 196 Ca 0.08 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.80 1gqk h ILE 196 Cb -0.00 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1gqk h ILE 196 CO -0.04 0.00 -0.33 0.78 0.00 0.00 0.00 178.15 178.55 1gqk h ASN 197 N -0.27 0.88 0.10 1.72 2.35 -1.26 -2.97 115.58 116.13 1gqk h ASN 197 Ca 0.10 -0.38 -0.06 0.00 -0.55 0.00 0.00 56.30 55.41 1gqk h ASN 197 Cb 0.41 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1gqk h ASN 197 CO -0.28 1.13 -0.20 0.00 -1.65 0.00 0.00 177.43 176.44 1gqk h ALA 198 N 0.91 1.45 -0.01 -0.83 0.00 -0.75 -1.08 119.26 118.96 1gqk h ALA 198 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1gqk h ALA 198 Cb 0.89 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1gqk h ALA 198 CO 0.08 0.39 0.01 0.66 0.00 0.00 0.00 179.25 180.39 1gqk h SER 199 N 0.18 0.00 -0.01 0.00 4.64 -0.81 -0.04 113.55 117.51 1gqk h SER 199 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1gqk h SER 199 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1gqk h SER 199 CO 0.03 0.00 -0.34 0.18 -0.87 0.00 0.00 176.83 175.83 1gqk n LEU 200 N -3.37 1.72 0.00 5.97 4.77 -0.58 -4.82 117.00 120.69 1gqk n LEU 200 Ca -0.03 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1gqk n LEU 200 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1gqk n LEU 200 CO 0.23 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1gqk n GLY 201 N 1.19 0.62 3.69 -0.72 0.00 -0.03 -4.49 105.19 105.45 1gqk n GLY 201 Ca 0.07 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 3.42 -0.13 -0.61 -1.09 -0.51 -4.85 121.20 115.43 1gqk s ILE 202 Ca 0.00 0.89 0.14 0.00 -2.23 0.00 0.00 60.65 59.45 1gqk s ILE 202 Cb 0.00 -3.57 0.25 0.00 -1.58 0.00 0.00 42.46 37.56 1gqk s ILE 202 CO 0.00 0.01 1.15 -0.46 -1.23 0.00 0.00 174.94 174.41 1gqk n ASN 203 N 5.10 2.44 -3.53 3.58 0.23 -0.29 -4.18 115.26 118.61 1gqk n ASN 203 Ca 0.13 -2.82 -0.15 0.00 -0.53 0.00 0.00 54.58 51.22 1gqk n ASN 203 Cb 0.42 -0.34 -0.05 0.00 -2.08 0.00 0.00 39.78 37.73 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 -2.33 -0.50 -0.05 4.83 0.00 -1.14 -1.63 107.32 106.50 1gqk s GLY 204 Ca 0.26 1.42 -0.03 0.00 0.00 0.00 0.00 44.72 46.37 1gqk s GLY 204 CO 0.03 0.89 0.11 -1.08 0.00 0.00 0.00 173.10 173.06 1gqk s THR 205 N -1.45 -0.03 -0.37 0.90 -1.32 -0.67 -1.74 115.64 110.97 1gqk s THR 205 Ca -0.07 0.10 -0.11 0.00 -1.21 0.00 0.00 61.69 60.40 1gqk s THR 205 Cb -0.00 -0.18 0.02 0.00 -1.51 0.00 0.00 72.50 70.83 1gqk s THR 205 CO 0.05 0.04 0.21 -0.69 -2.21 0.00 0.00 174.62 172.02 1gqk s VAL 206 N 0.64 4.62 -0.90 5.08 1.01 -0.11 -0.70 120.40 130.04 1gqk s VAL 206 Ca -0.05 -0.80 0.25 0.00 0.00 0.00 0.00 61.98 61.38 1gqk s VAL 206 Cb -0.07 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.82 1gqk s VAL 206 CO -0.03 -0.21 1.49 2.30 0.00 0.00 0.00 175.10 178.65 1gqk n ILE 207 N 5.01 0.11 -4.31 2.22 -5.35 -1.19 -0.77 119.36 115.08 1gqk n ILE 207 Ca -0.12 -0.08 -0.20 0.00 -0.27 0.00 0.00 62.75 62.09 1gqk n ILE 207 Cb 0.46 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.26 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 -3.36 2.43 0.33 7.28 4.22 -1.19 -4.25 114.94 120.40 1gqk s ASN 208 Ca 0.10 -0.88 -0.28 0.00 -2.14 0.00 0.00 52.86 49.66 1gqk s ASN 208 Cb 0.17 -0.12 -0.12 0.00 1.28 0.00 0.00 41.25 42.45 1gqk s ASN 208 CO 0.67 -0.10 1.29 -3.20 -2.04 0.00 0.00 177.10 173.71 1gqk n ASN 209 N 0.21 2.68 0.21 3.54 2.85 -0.31 -4.31 115.26 120.13 1gqk n ASN 209 Ca -0.13 1.20 0.04 0.00 -0.11 0.00 0.00 54.58 55.59 1gqk n ASN 209 Cb 0.58 -1.47 0.45 0.00 1.24 0.00 0.00 39.78 40.58 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 2.56 1.16 -1.00 3.44 -1.51 -1.91 -3.16 116.25 115.83 1gqk h VAL 210 Ca -0.46 -0.87 -0.65 0.00 -1.23 0.00 0.00 66.70 63.49 1gqk h VAL 210 Cb 1.29 1.47 -0.09 0.00 -2.13 0.00 0.00 31.29 31.83 1gqk h VAL 210 CO 0.64 0.25 1.89 0.20 -1.23 0.00 0.00 177.57 179.32 1gqk s ASN 211 N -6.95 6.70 0.17 4.19 0.01 -1.26 -4.35 114.94 113.46 1gqk s ASN 211 Ca -0.03 -2.05 -0.22 0.00 -0.71 0.00 0.00 52.86 49.84 1gqk s ASN 211 Cb 0.15 -2.57 -0.08 0.00 0.41 0.00 0.00 41.25 39.16 1gqk s ASN 211 CO 0.70 -1.30 0.72 0.00 -1.51 0.00 0.00 177.10 175.72 1gqk s ALA 212 N 4.46 3.46 -0.26 0.60 0.00 -1.19 -5.02 121.76 123.81 1gqk s ALA 212 Ca 0.50 0.23 -0.14 0.00 0.00 0.00 0.00 51.96 52.56 1gqk s ALA 212 Cb 0.02 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 1gqk s ALA 212 CO 0.00 0.32 0.32 0.34 0.00 0.00 0.00 175.76 176.75 1gqk s ASP 213 N -1.33 6.21 0.48 0.00 -1.08 -1.26 -4.58 116.67 115.11 1gqk s ASP 213 Ca 0.37 0.23 0.33 0.00 -0.52 0.00 0.00 52.55 52.97 1gqk s ASP 213 Cb -0.20 -2.18 1.65 0.00 -1.46 0.00 0.00 42.92 40.73 1gqk s ASP 213 CO 0.23 -0.12 1.99 1.55 0.52 0.00 0.00 175.17 179.34 1gqk h PRO 214 N 8.08 0.00 0.00 4.34 0.13 -1.95 -2.95 132.00 139.65 1gqk h PRO 214 Ca -0.33 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1gqk h PRO 214 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1gqk h PRO 214 CO 0.63 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.39 1gqk h ARG 215 N 0.00 0.00 0.00 0.86 3.08 -1.98 -2.09 114.38 114.26 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 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1gqk h ARG 215 CO 0.00 0.01 -0.01 -0.39 -1.07 0.00 0.00 179.97 178.50 1gqk h VAL 216 N 0.00 0.11 -0.01 2.04 -1.51 -1.91 -0.29 116.25 114.67 1gqk h VAL 216 Ca -0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 1gqk h VAL 216 Cb 0.02 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1gqk h VAL 216 CO 0.00 0.01 -0.16 0.18 -1.23 0.00 0.00 177.57 176.37 1gqk n LEU 217 N -3.21 1.41 -4.84 4.19 4.77 -0.78 -4.04 117.00 114.49 1gqk n LEU 217 Ca -0.02 -0.44 -0.32 0.00 -0.03 0.00 0.00 56.01 55.20 1gqk n LEU 217 Cb 0.14 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1gqk n LEU 217 CO 0.23 0.25 0.69 -0.94 -1.33 0.00 0.00 177.39 176.29 1gqk s SER 218 N -2.28 6.44 0.23 -1.43 1.04 -0.12 -4.84 113.70 112.74 1gqk s SER 218 Ca 0.29 1.58 -0.07 0.00 0.48 0.00 0.00 55.95 58.24 1gqk s SER 218 Cb 0.20 -2.51 0.38 0.00 0.10 0.00 0.00 66.02 64.20 1gqk s SER 218 CO 0.44 -0.71 1.72 -0.78 0.98 0.00 0.00 173.24 174.88 1gqk h ASP 219 N 0.67 0.15 -0.56 7.02 1.82 -1.91 0.15 116.42 123.76 1gqk h ASP 219 Ca -0.46 0.11 0.11 0.00 -0.39 0.00 0.00 57.03 56.40 1gqk h ASP 219 Cb 1.19 0.12 -0.11 0.00 0.68 0.00 0.00 39.33 41.21 1gqk h ASP 219 CO 0.61 0.06 -0.13 -0.61 -1.61 0.00 0.00 179.24 177.56 1gqk h GLN 220 N 0.36 0.01 0.07 0.28 4.15 -1.93 -2.06 115.11 115.98 1gqk h GLN 220 Ca 0.37 -0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.53 1gqk h GLN 220 Cb 0.55 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 1gqk h GLN 220 CO -0.41 0.01 -1.27 0.74 -1.93 0.00 0.00 178.83 175.97 1gqk h PHE 221 N 0.01 0.26 -0.66 3.99 0.04 -1.53 -3.29 116.94 115.76 1gqk h PHE 221 Ca 0.27 -0.19 0.06 0.00 2.80 0.00 0.00 57.97 60.91 1gqk h PHE 221 Cb 0.41 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.51 1gqk h PHE 221 CO -0.45 1.18 0.44 -0.07 -0.60 0.00 0.00 178.31 178.80 1gqk h LEU 222 N 0.04 0.60 -0.95 1.54 3.38 -0.49 0.23 115.31 119.65 1gqk h LEU 222 Ca -0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1gqk h LEU 222 Cb 1.92 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.51 1gqk h LEU 222 CO 0.16 0.39 0.30 1.56 0.09 0.00 0.00 178.44 180.94 1gqk h GLN 223 N 0.68 1.06 -0.08 1.13 4.20 -1.46 -0.24 115.11 120.41 1gqk h GLN 223 Ca 0.28 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 1gqk h GLN 223 Cb 0.24 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1gqk h GLN 223 CO -0.09 0.85 -0.33 0.87 -0.67 0.00 0.00 178.83 179.47 1gqk h LYS 224 N 1.04 0.36 -0.40 1.46 1.57 -1.25 -3.18 116.57 116.17 1gqk h LYS 224 Ca 0.25 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1gqk h LYS 224 Cb 0.18 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1gqk h LYS 224 CO -0.02 0.92 0.16 0.82 -0.57 0.00 0.00 179.45 180.75 1gqk h ILE 225 N -0.12 1.16 -0.17 1.86 2.04 -0.47 -2.26 117.51 119.55 1gqk h ILE 225 Ca -0.02 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 1gqk h ILE 225 Cb 0.97 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1gqk h ILE 225 CO 0.07 0.19 -0.19 0.00 0.00 0.00 0.00 178.15 178.22 1gqk h ALA 226 N 1.61 1.38 -0.25 1.87 0.00 -1.06 0.12 119.26 122.93 1gqk h ALA 226 Ca 0.14 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1gqk h ALA 226 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1gqk h ALA 226 CO -0.01 0.43 -0.32 0.00 0.00 0.00 0.00 179.25 179.34 1gqk h ALA 227 N 1.55 0.98 -0.18 0.00 0.00 -1.39 -0.06 119.26 120.17 1gqk h ALA 227 Ca 0.05 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1gqk h ALA 227 Cb 0.49 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1gqk h ALA 227 CO 0.03 0.60 -0.11 -0.07 0.00 0.00 0.00 179.25 179.71 1gqk h LEU 228 N 0.44 0.40 -0.85 0.00 3.38 -1.26 -2.42 115.31 115.00 1gqk h LEU 228 Ca 0.05 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.67 1gqk h LEU 228 Cb 0.78 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1gqk h LEU 228 CO 0.06 0.75 0.51 0.00 0.09 0.00 0.00 178.44 179.85 1gqk h ALA 229 N 0.67 1.20 -0.81 1.53 0.00 -0.48 -1.14 119.26 120.22 1gqk h ALA 229 Ca 0.04 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1gqk h ALA 229 Cb 0.61 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1gqk h ALA 229 CO 0.03 0.19 0.52 -0.44 0.00 0.00 0.00 179.25 179.55 1gqk h ASP 230 N 0.88 0.87 0.46 0.00 3.32 -0.90 -0.13 116.42 120.93 1gqk h ASP 230 Ca 0.39 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.34 1gqk h ASP 230 Cb 0.29 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1gqk h ASP 230 CO -0.21 0.61 -0.47 0.00 -1.72 0.00 0.00 179.24 177.44 1gqk h ALA 231 N 1.33 1.21 0.01 3.45 0.00 -0.79 -3.21 119.26 121.26 1gqk h ALA 231 Ca 0.32 -0.43 -0.26 0.00 0.00 0.00 0.00 54.91 54.54 1gqk h ALA 231 Cb -0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1gqk h ALA 231 CO -0.11 0.59 -1.39 0.74 0.00 0.00 0.00 179.25 179.09 1gqk h PHE 232 N 0.02 0.03 -0.57 0.00 0.04 -0.86 -3.40 116.94 112.19 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 0.84 -0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.88 1gqk h PHE 232 CO 0.00 1.03 -0.23 -0.09 -0.60 0.00 0.00 178.31 178.42 1gqk h ARG 233 N 0.00 -0.08 0.00 1.51 2.43 -1.02 -1.03 114.38 116.18 1gqk h ARG 233 Ca -0.16 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1gqk h ARG 233 Cb 1.91 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1gqk h ARG 233 CO 0.11 -0.06 0.00 -1.35 -1.51 0.00 0.00 179.97 177.16 1gqk h PRO 234 N -0.09 0.00 -0.51 0.20 0.11 -1.77 -0.06 132.00 129.88 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 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1gqk h PRO 234 CO -0.63 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.82 1gqk n TYR 235 N -2.35 0.68 -1.01 0.65 4.01 -0.41 -4.06 117.16 114.68 1gqk n TYR 235 Ca 0.00 -0.34 -0.00 0.00 -0.16 0.00 0.00 57.90 57.40 1gqk n TYR 235 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.16 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 1.42 0.46 3.58 2.72 0.00 -0.04 -4.72 105.19 108.62 1gqk n GLY 236 Ca 0.19 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.91 5.24 0.36 -0.61 1.01 -1.14 -4.59 121.20 119.57 1gqk s ILE 237 Ca 0.00 0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.74 1gqk s ILE 237 Cb 0.00 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 1gqk s ILE 237 CO 0.00 0.13 0.75 -0.54 0.00 0.00 0.00 174.94 175.28 1gqk s LYS 238 N 1.90 3.91 -0.04 2.79 1.02 -0.65 -4.02 119.74 124.65 1gqk s LYS 238 Ca 0.10 0.59 -0.17 0.00 0.02 0.00 0.00 55.97 56.51 1gqk s LYS 238 Cb -0.16 -2.41 -0.05 0.00 -0.52 0.00 0.00 37.83 34.69 1gqk s LYS 238 CO 0.11 0.07 0.47 1.41 -0.92 0.00 0.00 175.35 176.48 1gqk s MET 239 N -3.36 4.17 0.09 1.68 -2.45 -1.26 -1.67 119.30 116.50 1gqk s MET 239 Ca 0.53 0.48 0.04 0.00 -1.25 0.00 0.00 55.69 55.50 1gqk s MET 239 Cb -0.10 -3.33 -0.03 0.00 1.25 0.00 0.00 34.83 32.62 1gqk s MET 239 CO 0.23 0.43 -0.12 0.71 1.05 0.00 0.00 175.02 177.32 1gqk s TYR 240 N -0.27 1.13 0.03 4.11 1.51 0.12 -0.37 117.35 123.62 1gqk s TYR 240 Ca 0.26 -0.55 0.07 0.00 -1.01 0.00 0.00 57.07 55.83 1gqk s TYR 240 Cb -0.16 -0.62 -0.02 0.00 -0.11 0.00 0.00 41.96 41.04 1gqk s TYR 240 CO 0.13 0.04 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.90 1gqk s LEU 241 N -2.10 2.13 0.26 -1.29 1.43 -0.88 -3.14 118.68 115.07 1gqk s LEU 241 Ca 0.02 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 1gqk s LEU 241 Cb -0.07 -0.95 -0.09 0.00 0.03 0.00 0.00 46.19 45.11 1gqk s LEU 241 CO 0.01 0.17 0.99 -0.44 0.23 0.00 0.00 176.35 177.32 1gqk s SER 242 N -0.95 7.51 0.16 2.29 0.01 -1.26 -1.13 113.70 120.32 1gqk s SER 242 Ca 0.07 2.05 0.11 0.00 1.31 0.00 0.00 55.95 59.48 1gqk s SER 242 Cb -0.08 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1gqk s SER 242 CO 0.01 0.05 -0.24 0.27 0.41 0.00 0.00 173.24 173.73 1gqk s ILE 243 N -1.20 2.20 -0.25 1.44 -5.25 -0.63 -4.79 121.20 112.72 1gqk s ILE 243 Ca 0.43 -1.86 -0.15 0.00 -0.99 0.00 0.00 60.65 58.08 1gqk s ILE 243 Cb -0.27 -1.99 -0.04 0.00 2.95 0.00 0.00 42.46 43.11 1gqk s ILE 243 CO 0.34 -0.05 0.36 0.21 -1.79 0.00 0.00 174.94 174.02 1gqk s ASN 244 N -2.34 6.27 0.49 4.36 2.47 -1.26 -4.53 114.94 120.40 1gqk s ASN 244 Ca 0.16 0.31 0.17 0.00 0.42 0.00 0.00 52.86 53.92 1gqk s ASN 244 Cb -0.09 -2.20 1.21 0.00 -1.45 0.00 0.00 41.25 38.71 1gqk s ASN 244 CO 0.07 -0.14 2.07 0.15 -3.72 0.00 0.00 177.10 175.54 1gqk h PHE 245 N 7.98 0.14 -0.12 0.43 3.57 -1.87 -1.63 116.94 125.44 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 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1gqk h PHE 245 CO 0.74 0.08 0.00 0.09 -2.23 0.00 0.00 178.31 176.98 1gqk n ASN 246 N -4.48 1.08 -0.28 0.41 3.02 -1.26 -4.56 115.26 109.19 1gqk n ASN 246 Ca 0.03 -2.06 0.08 0.00 -0.03 0.00 0.00 54.58 52.61 1gqk n ASN 246 Cb 0.26 -0.24 0.23 0.00 -0.61 0.00 0.00 39.78 39.42 1gqk n ASN 246 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1gqk h SER 247 N 0.73 0.24 -0.93 6.41 0.02 -1.71 -1.26 113.55 117.04 1gqk h SER 247 Ca 0.00 0.13 0.11 0.00 -0.84 0.00 0.00 61.79 61.20 1gqk h SER 247 Cb 0.38 0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.97 1gqk h SER 247 CO 0.03 0.04 0.60 -0.65 -1.14 0.00 0.00 176.83 175.70 1gqk h PRO 248 N 0.40 0.86 -0.24 3.45 0.11 -1.87 -0.84 132.00 133.87 1gqk h PRO 248 Ca 0.47 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 66.34 1gqk h PRO 248 Cb 0.81 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1gqk h PRO 248 CO -0.48 0.57 -0.59 0.00 -0.21 0.00 0.00 178.00 177.30 1gqk h ARG 249 N 0.89 0.82 -0.43 1.05 3.08 -1.31 -1.71 114.38 116.77 1gqk h ARG 249 Ca 0.45 -0.56 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1gqk h ARG 249 Cb 0.50 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1gqk h ARG 249 CO -0.21 1.19 0.11 0.00 -1.07 0.00 0.00 179.97 179.98 1gqk h ALA 250 N 0.63 1.38 0.00 0.04 0.00 -0.35 -1.23 119.26 119.74 1gqk h ALA 250 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1gqk h ALA 250 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1gqk h ALA 250 CO 0.13 0.45 0.00 1.19 0.00 0.00 0.00 179.25 181.01 1gqk n PHE 251 N -4.32 0.00 -1.08 0.00 3.01 -0.43 -4.91 117.46 109.74 1gqk n PHE 251 Ca 0.03 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.46 1gqk n PHE 251 Cb 0.20 -0.45 -0.01 0.00 -0.01 0.00 0.00 39.48 39.21 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 1.20 0.60 0.09 1.37 0.00 -0.46 -4.95 105.19 103.04 1gqk n GLY 252 Ca 0.08 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 1.23 0.65 -3.93 1.61 8.00 -0.67 -4.94 116.55 118.50 1gqk n ASP 253 Ca -0.03 0.31 -0.11 0.00 0.71 0.00 0.00 54.79 55.67 1gqk n ASP 253 Cb 0.10 0.27 -0.13 0.00 -0.02 0.00 0.00 41.12 41.35 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 -2.66 0.10 -2.00 2.53 1.01 -1.04 -5.02 120.40 113.31 1gqk s VAL 254 Ca -0.06 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.54 1gqk s VAL 254 Cb 0.08 -0.17 0.22 0.00 0.00 0.00 0.00 36.38 36.51 1gqk s VAL 254 CO 0.83 -0.23 1.18 -0.90 0.00 0.00 0.00 175.10 175.98 1gqk n ASP 255 N 2.35 1.32 -3.89 3.32 5.68 -1.26 -3.53 116.55 120.55 1gqk n ASP 255 Ca -0.18 -2.00 -0.09 0.00 -0.50 0.00 0.00 54.79 52.02 1gqk n ASP 255 Cb 0.57 -0.16 -0.05 0.00 -1.14 0.00 0.00 41.12 40.34 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 -1.67 0.03 -0.00 2.12 -1.32 -1.26 -5.02 115.64 108.51 1gqk s THR 256 Ca 0.17 -1.16 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1gqk s THR 256 Cb 0.09 -1.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.21 1gqk s THR 256 CO 0.11 -0.12 0.95 0.00 -2.21 0.00 0.00 174.62 173.35 1gqk n ALA 257 N -0.33 1.89 -1.58 11.08 0.00 -1.26 -4.41 120.51 125.90 1gqk n ALA 257 Ca -0.06 -0.97 -0.52 0.00 0.00 0.00 0.00 53.44 51.89 1gqk n ALA 257 Cb 0.62 -0.01 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.46 2.56 0.18 0.00 2.03 -1.26 -4.83 116.55 114.77 1gqk n ASP 258 Ca 0.00 0.74 0.13 0.00 0.52 0.00 0.00 54.79 56.19 1gqk n ASP 258 Cb 0.28 -1.26 0.62 0.00 -0.72 0.00 0.00 41.12 40.04 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 10.14 0.00 -0.00 -0.67 0.13 -1.93 -1.21 132.00 138.45 1gqk h PRO 259 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1gqk h PRO 259 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1gqk h PRO 259 CO 0.98 0.00 -0.18 1.28 -0.23 0.00 0.00 178.00 179.86 1gqk n LEU 260 N -2.40 0.47 -4.68 1.56 4.77 -1.26 -4.60 117.00 110.86 1gqk n LEU 260 Ca 0.00 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.62 1gqk n LEU 260 Cb 0.14 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 1gqk n LEU 260 CO 0.16 0.09 0.54 -0.62 -1.33 0.00 0.00 177.39 176.23 1gqk s ASP 261 N -2.64 6.93 0.34 -1.43 -1.08 -0.46 -4.95 116.67 113.38 1gqk s ASP 261 Ca 0.23 1.14 0.09 0.00 -0.52 0.00 0.00 52.55 53.49 1gqk s ASP 261 Cb 0.19 -2.43 0.83 0.00 -1.46 0.00 0.00 42.92 40.05 1gqk s ASP 261 CO 0.53 -0.32 1.82 -0.65 0.52 0.00 0.00 175.17 177.06 1gqk h PRO 262 N 7.23 0.66 -0.16 4.34 0.11 -1.87 0.42 132.00 142.73 1gqk h PRO 262 Ca -0.32 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 1gqk h PRO 262 Cb 1.15 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1gqk h PRO 262 CO 0.81 0.44 -0.10 0.00 -0.21 0.00 0.00 178.00 178.93 1gqk h ARG 263 N 0.68 0.24 -0.10 1.05 3.08 -1.94 -0.78 114.38 116.61 1gqk h ARG 263 Ca 0.53 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.42 1gqk h ARG 263 Cb 0.92 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1gqk h ARG 263 CO -0.29 0.35 -0.37 0.28 -1.07 0.00 0.00 179.97 178.88 1gqk h VAL 264 N 0.23 1.39 -0.64 2.04 2.07 -1.21 -1.21 116.25 118.92 1gqk h VAL 264 Ca 0.05 -1.70 0.06 0.00 0.82 0.00 0.00 66.70 65.93 1gqk h VAL 264 Cb 0.33 2.18 -0.06 0.00 -1.52 0.00 0.00 31.29 32.23 1gqk h VAL 264 CO 0.02 0.50 0.34 1.56 0.02 0.00 0.00 177.57 180.01 1gqk h GLN 265 N 0.00 0.61 -0.56 1.57 4.20 -1.21 -1.93 115.11 117.79 1gqk h GLN 265 Ca -0.02 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 1gqk h GLN 265 Cb 1.00 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 1gqk h GLN 265 CO 0.08 0.40 -0.03 0.37 -0.67 0.00 0.00 178.83 178.98 1gqk h GLN 266 N 0.63 1.01 -0.36 1.46 5.75 -1.12 -2.11 115.11 120.38 1gqk h GLN 266 Ca 0.29 -0.34 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1gqk h GLN 266 Cb 0.20 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 1gqk h GLN 266 CO -0.19 1.02 0.19 2.35 -2.65 0.00 0.00 178.83 179.55 1gqk h TRP 267 N 0.90 0.35 -0.08 3.99 7.01 -0.63 0.30 115.95 127.78 1gqk h TRP 267 Ca 0.15 0.01 -0.12 0.00 2.11 0.00 0.00 58.89 61.05 1gqk h TRP 267 Cb 0.59 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 1gqk h TRP 267 CO 0.04 0.19 -0.50 -1.49 -2.79 0.00 0.00 178.44 173.90 1gqk h TRP 268 N 0.39 0.26 -0.15 2.65 4.06 -1.29 0.75 115.95 122.62 1gqk h TRP 268 Ca 0.15 -0.08 -0.02 0.00 2.06 0.00 0.00 58.89 61.00 1gqk h TRP 268 Cb 0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 1gqk h TRP 268 CO -0.09 0.67 0.03 -0.22 -3.56 0.00 0.00 178.44 175.27 1gqk h LYS 269 N 0.17 0.24 -0.71 0.49 3.64 -0.86 -0.14 116.57 119.41 1gqk h LYS 269 Ca 0.01 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1gqk h LYS 269 Cb 0.94 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 1gqk h LYS 269 CO 0.08 0.42 0.35 1.15 -2.27 0.00 0.00 179.45 179.18 1gqk h THR 270 N 0.03 1.23 -0.64 1.00 2.02 -0.80 -1.89 112.91 113.87 1gqk h THR 270 Ca 0.04 -0.63 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 1gqk h THR 270 Cb 0.29 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1gqk h THR 270 CO 0.00 0.27 0.14 -0.09 0.37 0.00 0.00 175.52 176.21 1gqk h ARG 271 N 0.99 1.03 -0.76 6.66 9.65 -0.72 -1.14 114.38 130.08 1gqk h ARG 271 Ca 0.24 -0.25 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1gqk h ARG 271 Cb 0.10 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 1gqk h ARG 271 CO -0.03 0.93 0.47 0.00 2.80 0.00 0.00 179.97 184.14 1gqk h ALA 272 N 1.05 0.97 -0.81 2.80 0.00 -0.78 0.35 119.26 122.84 1gqk h ALA 272 Ca 0.20 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1gqk h ALA 272 Cb 0.38 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1gqk h ALA 272 CO 0.00 0.43 0.52 1.96 0.00 0.00 0.00 179.25 182.16 1gqk h GLN 273 N 1.04 0.98 -0.23 0.00 4.20 -0.90 -0.63 115.11 119.56 1gqk h GLN 273 Ca 0.27 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 1gqk h GLN 273 Cb -0.05 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 1gqk h GLN 273 CO -0.05 0.65 0.04 -0.22 -0.67 0.00 0.00 178.83 178.57 1gqk h LYS 274 N 1.01 0.39 -0.31 1.46 3.64 -0.57 -2.08 116.57 120.11 1gqk h LYS 274 Ca 0.32 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1gqk h LYS 274 Cb 0.01 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 1gqk h LYS 274 CO -0.11 0.53 0.09 0.82 -2.27 0.00 0.00 179.45 178.50 1gqk h ILE 275 N 0.19 0.89 0.00 2.00 2.04 -0.49 -2.64 117.51 119.50 1gqk h ILE 275 Ca 0.07 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1gqk h ILE 275 Cb 0.33 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1gqk h ILE 275 CO 0.00 0.04 -0.07 1.88 0.00 0.00 0.00 178.15 180.00 1gqk h TYR 276 N 0.22 0.00 -0.06 1.37 0.05 -1.05 0.45 116.97 117.95 1gqk h TYR 276 Ca 0.14 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.79 1gqk h TYR 276 Cb 0.13 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 1gqk h TYR 276 CO -0.15 0.07 -0.55 0.66 -1.05 0.00 0.00 178.16 177.14 1gqk h SER 277 N 0.00 0.18 0.36 3.88 4.64 -1.01 -2.78 113.55 118.82 1gqk h SER 277 Ca -0.00 -0.09 -0.32 0.00 -0.47 0.00 0.00 61.79 60.90 1gqk h SER 277 Cb 0.49 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1gqk h SER 277 CO 0.01 0.69 -1.55 1.88 -0.87 0.00 0.00 176.83 177.00 1gqk h TYR 278 N 0.13 0.64 -2.77 4.77 0.05 -1.11 -3.43 116.97 115.25 1gqk h TYR 278 Ca -0.00 -0.47 -0.59 0.00 0.05 0.00 0.00 58.73 57.72 1gqk h TYR 278 Cb 1.01 -0.03 -0.39 0.00 1.01 0.00 0.00 36.73 38.33 1gqk h TYR 278 CO 0.01 1.49 -0.80 0.42 -1.05 0.00 0.00 178.16 178.23 1gqk s ILE 279 N -2.61 0.70 0.57 -2.88 1.01 0.05 -4.86 121.20 113.17 1gqk s ILE 279 Ca -0.10 -2.05 0.39 0.00 0.00 0.00 0.00 60.65 58.90 1gqk s ILE 279 Cb 0.06 -1.50 0.41 0.00 0.01 0.00 0.00 42.46 41.44 1gqk s ILE 279 CO 0.88 -0.94 2.28 -0.65 0.00 0.00 0.00 174.94 176.51 1gqk h PRO 280 N 6.94 0.00 -0.29 2.79 0.11 -1.75 -2.08 132.00 137.72 1gqk h PRO 280 Ca 0.02 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.02 1gqk h PRO 280 Cb 0.95 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.00 1gqk h PRO 280 CO 0.36 0.01 -0.07 -0.40 -0.21 0.00 0.00 178.00 177.70 1gqk n ASP 281 N -3.26 2.82 -4.60 -2.05 5.75 -1.26 -5.01 116.55 108.94 1gqk n ASP 281 Ca -0.02 -3.52 -0.46 0.00 -0.01 0.00 0.00 54.79 50.77 1gqk n ASP 281 Cb 0.12 -0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 39.59 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 -0.98 1.41 0.09 2.11 7.35 -0.78 -4.66 117.46 122.00 1gqk n PHE 282 Ca 0.28 0.66 -0.22 0.00 -0.76 0.00 0.00 57.45 57.41 1gqk n PHE 282 Cb 0.96 -2.29 -0.13 0.00 0.35 0.00 0.00 39.48 38.37 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 2.84 0.70 0.00 7.13 0.00 -1.04 -3.42 103.07 109.28 1gqk h GLY 283 Ca -0.42 -1.46 0.00 0.00 0.00 0.00 0.00 47.33 45.46 1gqk h GLY 283 CO 0.66 1.28 0.00 0.61 0.00 0.00 0.00 176.54 179.10 1gqk n GLY 284 N 1.38 0.92 3.36 4.60 0.00 -1.25 -1.22 105.19 112.98 1gqk n GLY 284 Ca -0.14 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.18 2.35 -0.10 1.61 0.08 -0.51 -2.08 117.98 116.15 1gqk s PHE 285 Ca 0.00 -0.40 -0.03 0.00 0.12 0.00 0.00 56.93 56.62 1gqk s PHE 285 Cb 0.00 -1.41 -0.03 0.00 -0.57 0.00 0.00 43.02 41.01 1gqk s PHE 285 CO 0.00 0.13 0.03 -1.17 -0.10 0.00 0.00 175.22 174.11 1gqk s LEU 286 N -1.23 3.72 -0.06 -0.37 2.96 -0.29 0.42 118.68 123.83 1gqk s LEU 286 Ca 0.12 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1gqk s LEU 286 Cb -0.10 -1.87 0.03 0.00 0.50 0.00 0.00 46.19 44.75 1gqk s LEU 286 CO 0.02 0.37 0.01 -0.69 -1.32 0.00 0.00 176.35 174.75 1gqk s VAL 287 N -0.83 0.26 -0.38 1.68 1.01 -0.11 -1.61 120.40 120.41 1gqk s VAL 287 Ca 0.13 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 1gqk s VAL 287 Cb -0.12 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.87 1gqk s VAL 287 CO 0.02 0.24 0.21 -0.75 0.00 0.00 0.00 175.10 174.83 1gqk s LYS 288 N 1.97 2.75 0.00 2.72 2.20 -1.26 -0.84 119.74 127.28 1gqk s LYS 288 Ca 0.04 -1.19 0.03 0.00 -0.36 0.00 0.00 55.97 54.49 1gqk s LYS 288 Cb -0.12 -3.72 -0.01 0.00 -1.51 0.00 0.00 37.83 32.46 1gqk s LYS 288 CO -0.05 -0.77 -0.10 0.00 -0.36 0.00 0.00 175.35 174.08 1gqk s ALA 289 N 1.51 0.81 -1.45 3.13 0.00 -1.26 -4.72 121.76 119.77 1gqk s ALA 289 Ca 0.02 -0.47 -0.08 0.00 0.00 0.00 0.00 51.96 51.43 1gqk s ALA 289 Cb -0.20 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.78 1gqk s ALA 289 CO 0.05 0.18 0.83 -0.25 0.00 0.00 0.00 175.76 176.58 1gqk n ASP 290 N 2.67 -3.08 -3.71 0.00 8.00 -0.75 -4.90 116.55 114.78 1gqk n ASP 290 Ca -0.14 -0.82 -0.14 0.00 0.71 0.00 0.00 54.79 54.40 1gqk n ASP 290 Cb 0.56 -3.85 -0.14 0.00 -0.02 0.00 0.00 41.12 37.67 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 -3.78 0.08 -1.45 -2.24 0.15 -1.20 -4.63 113.70 100.63 1gqk s SER 291 Ca 0.37 0.41 -0.05 0.00 0.70 0.00 0.00 55.95 57.38 1gqk s SER 291 Cb -0.19 0.33 0.02 0.00 -1.71 0.00 0.00 66.02 64.47 1gqk s SER 291 CO 0.83 -0.19 0.42 -0.62 1.20 0.00 0.00 173.24 174.89 1gqk n GLU 292 N 4.59 -3.75 -0.31 5.44 1.02 -1.26 -1.43 120.64 124.94 1gqk n GLU 292 Ca -0.19 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1gqk n GLU 292 Cb 0.51 -5.53 0.00 0.00 -0.02 0.00 0.00 31.44 26.40 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 -1.27 1.05 3.75 0.62 0.00 -1.26 -5.05 105.19 103.03 1gqk n GLY 293 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.49 4.74 0.91 1.61 -1.52 -0.51 -5.00 119.66 119.40 1gqk s GLN 294 Ca 0.00 1.65 -0.11 0.00 -1.95 0.00 0.00 55.36 54.95 1gqk s GLN 294 Cb 0.00 -3.24 0.14 0.00 -0.22 0.00 0.00 33.01 29.69 1gqk s GLN 294 CO 0.00 0.34 1.10 -2.14 -0.25 0.00 0.00 175.29 174.34 1gqk s PRO 295 N -1.23 1.09 -0.08 2.91 0.02 -1.26 -1.80 135.00 134.65 1gqk s PRO 295 Ca 0.43 1.08 -0.29 0.00 0.02 0.00 0.00 61.00 62.23 1gqk s PRO 295 Cb -0.29 -1.77 0.10 0.00 0.02 0.00 0.00 34.50 32.56 1gqk s PRO 295 CO 0.36 -2.43 1.32 0.41 -0.33 0.00 0.00 177.00 176.33 1gqk n GLY 296 N -0.54 0.12 0.33 0.52 0.00 -1.26 -2.38 105.19 101.97 1gqk n GLY 296 Ca 0.08 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 45.16 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 0.46 0.00 1.61 0.11 -1.88 -0.92 132.00 131.38 1gqk h PRO 297 Ca -0.19 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 1gqk h PRO 297 Cb 1.14 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1gqk h PRO 297 CO 0.29 0.31 -0.07 1.96 -0.21 0.00 0.00 178.00 180.28 1gqk h GLN 298 N 0.48 0.00 0.00 1.05 4.20 -1.84 0.10 115.11 119.09 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 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1gqk h GLN 298 CO -0.05 0.07 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 1gqk n GLY 299 N -0.78 -1.00 0.12 3.46 0.00 -0.35 -2.06 105.19 104.57 1gqk n GLY 299 Ca -0.02 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.13 0.08 -2.05 1.61 4.01 -0.13 -4.97 117.16 113.60 1gqk n TYR 300 Ca 0.00 -0.81 -0.13 0.00 -0.16 0.00 0.00 57.90 56.80 1gqk n TYR 300 Cb 0.12 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 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 -1.00 0.20 3.80 2.72 0.00 -0.88 -5.00 105.19 105.03 1gqk n GLY 301 Ca 0.11 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.30 2.45 0.43 1.61 1.81 -0.34 -4.98 118.95 115.63 1gqk s ARG 302 Ca 0.00 -1.57 0.07 0.00 -1.72 0.00 0.00 55.73 52.51 1gqk s ARG 302 Cb 0.00 -2.24 -0.02 0.00 -0.45 0.00 0.00 34.95 32.24 1gqk s ARG 302 CO 0.00 -0.04 0.36 0.16 -0.68 0.00 0.00 175.30 175.10 1gqk s ASP 303 N -3.97 4.91 0.53 0.23 1.47 -1.26 -2.79 116.67 115.78 1gqk s ASP 303 Ca 0.42 -0.85 0.27 0.00 1.18 0.00 0.00 52.55 53.57 1gqk s ASP 303 Cb -0.02 -0.45 1.51 0.00 -0.34 0.00 0.00 42.92 43.62 1gqk s ASP 303 CO 0.25 -0.69 2.11 0.45 0.68 0.00 0.00 175.17 177.97 1gqk h HIS 304 N 1.05 0.00 -0.14 2.11 3.86 -1.95 -1.41 115.15 118.68 1gqk h HIS 304 Ca -0.41 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.76 1gqk h HIS 304 Cb 1.27 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.73 1gqk h HIS 304 CO 0.57 0.09 -0.07 0.00 0.86 0.00 0.00 177.93 179.39 1gqk h ALA 305 N 1.91 0.20 -0.63 2.45 0.00 -1.94 0.69 119.26 121.93 1gqk h ALA 305 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1gqk h ALA 305 Cb 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1gqk h ALA 305 CO 0.01 -0.00 0.40 0.93 0.00 0.00 0.00 179.25 180.59 1gqk h GLU 306 N -0.05 0.84 -0.03 0.00 5.08 -1.64 -0.37 114.58 118.41 1gqk h GLU 306 Ca 0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1gqk h GLU 306 Cb 0.54 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1gqk h GLU 306 CO 0.02 0.57 -0.03 0.78 -1.00 0.00 0.00 179.01 179.35 1gqk h GLY 307 N 0.88 0.07 0.99 -3.84 0.00 -1.21 -3.02 103.07 96.93 1gqk h GLY 307 Ca 0.23 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.49 1gqk h GLY 307 CO -0.05 0.07 0.24 0.00 0.00 0.00 0.00 176.54 176.80 1gqk h ALA 308 N 0.53 0.46 -0.22 3.60 0.00 -0.80 -2.71 119.26 120.13 1gqk h ALA 308 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1gqk h ALA 308 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1gqk h ALA 308 CO 0.01 -0.08 -0.05 -0.91 0.00 0.00 0.00 179.25 178.22 1gqk h ASN 309 N 0.49 0.31 0.04 0.00 2.35 -1.17 0.25 115.58 117.85 1gqk h ASN 309 Ca 0.14 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1gqk h ASN 309 Cb -0.05 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1gqk h ASN 309 CO -0.04 0.41 -0.02 -0.03 -1.65 0.00 0.00 177.43 176.10 1gqk h MET 310 N 0.32 -0.05 -0.73 0.81 4.05 -1.39 0.11 114.93 118.05 1gqk h MET 310 Ca 0.07 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.46 1gqk h MET 310 Cb 0.30 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 1gqk h MET 310 CO 0.01 0.13 0.32 -0.07 0.23 0.00 0.00 176.91 177.52 1gqk h LEU 311 N -0.22 0.98 -1.14 3.39 3.38 -1.16 -2.87 115.31 117.67 1gqk h LEU 311 Ca -0.01 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1gqk h LEU 311 Cb 0.20 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1gqk h LEU 311 CO 0.01 0.87 0.58 0.00 0.09 0.00 0.00 178.44 179.99 1gqk h ALA 312 N 1.15 1.40 -0.31 1.53 0.00 -0.33 -2.24 119.26 120.46 1gqk h ALA 312 Ca 0.25 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1gqk h ALA 312 Cb 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1gqk h ALA 312 CO -0.02 0.55 -0.12 0.00 0.00 0.00 0.00 179.25 179.65 1gqk h ALA 313 N 1.46 1.21 -0.35 0.00 0.00 -0.59 0.11 119.26 121.10 1gqk h ALA 313 Ca 0.33 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1gqk h ALA 313 Cb -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1gqk h ALA 313 CO -0.08 0.51 -0.18 0.00 0.00 0.00 0.00 179.25 179.50 1gqk h ALA 314 N 1.38 1.04 0.00 0.00 0.00 -1.23 -3.24 119.26 117.21 1gqk h ALA 314 Ca 0.09 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1gqk h ALA 314 Cb 0.51 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1gqk h ALA 314 CO 0.03 0.58 -0.94 -0.07 0.00 0.00 0.00 179.25 178.85 1gqk h LEU 315 N 0.58 0.00 -0.51 0.00 3.38 -0.88 -3.41 115.31 114.46 1gqk h LEU 315 Ca 0.09 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.16 1gqk h LEU 315 Cb 0.63 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 1gqk h LEU 315 CO 0.04 0.35 0.03 0.50 0.09 0.00 0.00 178.44 179.45 1gqk h LYS 316 N 0.00 0.14 0.00 1.13 1.63 -0.82 -1.41 116.57 117.25 1gqk h LYS 316 Ca -0.07 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1gqk h LYS 316 Cb 1.33 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1gqk h LYS 316 CO 0.03 0.10 0.00 -2.30 -3.45 0.00 0.00 179.45 173.83 1gqk n PRO 317 N -5.20 0.15 -0.02 1.90 -0.02 -1.26 -1.68 135.00 128.87 1gqk n PRO 317 Ca 0.06 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 62.15 1gqk n PRO 317 Cb 0.28 -1.89 0.07 0.00 -0.02 0.00 0.00 33.50 31.93 1gqk n PRO 317 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1gqk n PHE 318 N -2.20 0.04 -1.04 6.00 3.72 -0.60 -4.98 117.46 118.39 1gqk n PHE 318 Ca 0.00 -0.04 -0.01 0.00 -0.05 0.00 0.00 57.45 57.35 1gqk n PHE 318 Cb 0.12 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.65 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 0.84 0.49 3.88 1.37 0.00 -0.68 -4.93 105.19 106.15 1gqk n GLY 319 Ca 0.09 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.96 1.72 0.20 -0.02 0.00 -0.77 -4.98 107.32 100.51 1gqk s GLY 320 Ca 0.00 -0.16 0.09 0.00 0.00 0.00 0.00 44.72 44.65 1gqk s GLY 320 CO 0.00 0.07 -0.18 -1.34 0.00 0.00 0.00 173.10 171.65 1gqk s VAL 321 N -2.87 1.98 -0.26 1.40 -7.23 -0.36 -4.41 120.40 108.65 1gqk s VAL 321 Ca 0.53 -2.11 -0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1gqk s VAL 321 Cb -0.11 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.82 1gqk s VAL 321 CO 0.45 -0.39 0.02 -0.69 -0.31 0.00 0.00 175.10 174.18 1gqk s VAL 322 N -2.36 3.65 -0.68 1.32 1.01 0.13 -1.42 120.40 122.04 1gqk s VAL 322 Ca 0.21 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1gqk s VAL 322 Cb -0.04 -2.80 0.11 0.00 0.00 0.00 0.00 36.38 33.64 1gqk s VAL 322 CO 0.09 0.22 0.83 -0.36 0.00 0.00 0.00 175.10 175.88 1gqk s PHE 323 N 1.47 3.02 -0.29 5.22 0.08 0.17 -0.28 117.98 127.37 1gqk s PHE 323 Ca 0.03 -1.05 -0.18 0.00 0.12 0.00 0.00 56.93 55.86 1gqk s PHE 323 Cb -0.16 -4.10 -0.02 0.00 -0.57 0.00 0.00 43.02 38.17 1gqk s PHE 323 CO -0.00 -1.37 0.50 -0.46 -0.10 0.00 0.00 175.22 173.79 1gqk s TRP 324 N 2.73 3.23 0.25 0.36 -0.11 0.35 -0.94 118.94 124.82 1gqk s TRP 324 Ca 0.18 0.47 -0.30 0.00 1.22 0.00 0.00 56.10 57.67 1gqk s TRP 324 Cb -0.18 -2.78 -0.09 0.00 -1.50 0.00 0.00 33.47 28.92 1gqk s TRP 324 CO 0.03 -0.36 0.98 1.03 -4.62 0.00 0.00 176.95 174.00 1gqk s ARG 325 N 2.33 4.79 0.00 5.86 0.52 -0.02 -0.53 118.95 131.89 1gqk s ARG 325 Ca 0.20 1.56 0.18 0.00 -0.52 0.00 0.00 55.73 57.15 1gqk s ARG 325 Cb -0.16 -3.23 0.59 0.00 0.52 0.00 0.00 34.95 32.67 1gqk s ARG 325 CO 0.11 0.43 1.45 0.00 0.02 0.00 0.00 175.30 177.31 1gqk n ALA 326 N 1.36 2.48 -2.49 2.13 0.00 -0.07 -4.73 120.51 119.20 1gqk n ALA 326 Ca -0.02 -0.64 -0.41 0.00 0.00 0.00 0.00 53.44 52.38 1gqk n ALA 326 Cb 0.47 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 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 0.58 4.36 -3.93 0.00 7.35 -1.26 -4.70 117.46 119.87 1gqk n PHE 327 Ca 0.16 -2.64 -0.14 0.00 -0.76 0.00 0.00 57.45 54.06 1gqk n PHE 327 Cb 0.37 -2.63 -0.15 0.00 0.35 0.00 0.00 39.48 37.42 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 5.18 0.10 -0.30 -2.13 1.01 -1.26 -4.77 120.40 118.24 1gqk s VAL 328 Ca 0.56 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.41 1gqk s VAL 328 Cb 0.04 -0.13 0.14 0.00 0.00 0.00 0.00 36.38 36.43 1gqk s VAL 328 CO 0.08 0.06 0.78 -0.72 0.00 0.00 0.00 175.10 175.30 1gqk s TYR 329 N 0.25 -1.07 0.15 5.22 -0.85 -1.26 -3.63 117.35 116.16 1gqk s TYR 329 Ca -0.02 1.89 -0.23 0.00 -0.52 0.00 0.00 57.07 58.18 1gqk s TYR 329 Cb -0.04 0.64 -0.08 0.00 0.38 0.00 0.00 41.96 42.86 1gqk s TYR 329 CO -0.01 -0.53 0.72 -1.58 -1.52 0.00 0.00 175.55 172.63 1gqk s HIS 330 N 2.56 3.87 0.31 -3.49 2.46 -1.26 -4.82 115.29 114.92 1gqk s HIS 330 Ca -0.05 1.53 0.29 0.00 0.47 0.00 0.00 55.06 57.30 1gqk s HIS 330 Cb -0.09 -2.69 1.59 0.00 -0.13 0.00 0.00 32.58 31.26 1gqk s HIS 330 CO -0.18 0.52 1.88 -1.35 -2.47 0.00 0.00 174.74 173.14 1gqk h PRO 331 N 4.32 0.00 -0.02 2.88 0.10 -2.01 -3.04 132.00 134.22 1gqk h PRO 331 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.62 1gqk h PRO 331 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.31 1gqk h PRO 331 CO 0.65 0.00 -0.15 -0.25 0.10 0.00 0.00 178.00 178.35 1gqk n ASP 332 N -2.62 2.56 -4.89 -2.05 8.00 -1.26 -4.89 116.55 111.39 1gqk n ASP 332 Ca -0.02 -1.78 -0.29 0.00 0.71 0.00 0.00 54.79 53.41 1gqk n ASP 332 Cb 0.18 0.16 0.06 0.00 -0.02 0.00 0.00 41.12 41.50 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 -2.04 3.03 0.10 0.53 -4.36 -1.15 -4.98 121.20 112.33 1gqk s ILE 333 Ca 0.23 0.27 0.03 0.00 -0.26 0.00 0.00 60.65 60.92 1gqk s ILE 333 Cb 0.18 -3.32 -0.24 0.00 1.25 0.00 0.00 42.46 40.33 1gqk s ILE 333 CO 0.37 -0.41 1.21 1.05 0.24 0.00 0.00 174.94 177.40 1gqk h GLU 334 N -0.72 0.10 -3.13 0.37 4.11 -1.92 -3.43 114.58 109.97 1gqk h GLU 334 Ca -0.45 -0.17 -0.45 0.00 0.07 0.00 0.00 59.36 58.36 1gqk h GLU 334 Cb 1.28 0.06 -0.41 0.00 0.50 0.00 0.00 28.75 30.18 1gqk h GLU 334 CO 0.64 1.07 -0.75 0.34 0.07 0.00 0.00 179.01 180.38 1gqk s ASP 335 N -6.86 2.20 0.38 3.06 2.15 -1.26 -5.02 116.67 111.33 1gqk s ASP 335 Ca -0.01 -0.52 0.15 0.00 0.43 0.00 0.00 52.55 52.60 1gqk s ASP 335 Cb 0.09 -0.25 1.00 0.00 -0.30 0.00 0.00 42.92 43.45 1gqk s ASP 335 CO 0.84 -0.33 1.81 -0.09 -0.17 0.00 0.00 175.17 177.23 1gqk h ARG 336 N 8.41 0.49 -1.00 4.34 2.43 -1.93 -0.64 114.38 126.48 1gqk h ARG 336 Ca -0.15 -0.03 0.22 0.00 -0.81 0.00 0.00 59.98 59.22 1gqk h ARG 336 Cb 1.14 -0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 30.48 1gqk h ARG 336 CO 0.27 0.32 0.62 0.35 -1.51 0.00 0.00 179.97 180.03 1gqk h PHE 337 N 0.50 0.86 0.00 2.20 3.04 -1.96 0.08 116.94 121.67 1gqk h PHE 337 Ca 0.53 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.51 1gqk h PHE 337 Cb 1.19 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.44 1gqk h PHE 337 CO -0.00 0.14 0.00 0.00 -2.02 0.00 0.00 178.31 176.43 1gqk h ARG 338 N 0.57 0.00 -0.18 1.11 3.08 -1.46 -3.42 114.38 114.08 1gqk h ARG 338 Ca 0.58 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.65 1gqk h ARG 338 Cb 1.17 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 1gqk h ARG 338 CO -0.34 0.00 -0.32 0.78 -1.07 0.00 0.00 179.97 179.03 1gqk h GLY 339 N 3.30 -1.38 0.92 0.04 0.00 -1.01 -2.01 103.07 102.93 1gqk h GLY 339 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 47.33 48.08 1gqk h GLY 339 CO 0.00 -0.38 0.13 0.00 0.00 0.00 0.00 176.54 176.29 1gqk h ALA 340 N -0.65 0.30 -0.27 3.60 0.00 -1.79 -1.25 119.26 119.20 1gqk h ALA 340 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1gqk h ALA 340 Cb 0.36 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1gqk h ALA 340 CO -0.31 -0.27 0.05 -0.92 0.00 0.00 0.00 179.25 177.81 1gqk h TYR 341 N 0.27 0.08 0.00 0.00 5.03 -1.85 -0.69 116.97 119.81 1gqk h TYR 341 Ca 0.10 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.37 1gqk h TYR 341 Cb 0.01 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 1gqk h TYR 341 CO -0.09 0.02 -0.25 -0.44 -1.32 0.00 0.00 178.16 176.08 1gqk h ASP 342 N 0.15 0.00 0.04 -2.11 3.32 -1.06 -1.44 116.42 115.33 1gqk h ASP 342 Ca 0.13 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.90 1gqk h ASP 342 Cb 0.13 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.71 1gqk h ASP 342 CO -0.17 0.25 -1.11 -0.33 -1.72 0.00 0.00 179.24 176.17 1gqk h GLU 343 N 0.00 0.68 0.00 3.56 4.39 -0.36 -3.40 114.58 119.45 1gqk h GLU 343 Ca -0.00 -0.78 -0.24 0.00 0.34 0.00 0.00 59.36 58.68 1gqk h GLU 343 Cb 0.56 0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 29.40 1gqk h GLU 343 CO 0.03 1.35 -2.18 1.19 -1.16 0.00 0.00 179.01 178.23 1gqk n PHE 344 N -3.84 0.00 -0.30 4.33 3.72 -0.35 -4.46 117.46 116.57 1gqk n PHE 344 Ca -0.12 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.32 1gqk n PHE 344 Cb 0.91 -0.79 0.19 0.00 -0.94 0.00 0.00 39.48 38.85 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 0.75 0.00 -1.08 2.86 -1.48 0.68 114.93 116.65 1gqk h MET 345 Ca -0.35 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1gqk h MET 345 Cb 1.78 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.27 1gqk h MET 345 CO 0.02 0.49 0.00 -1.35 1.06 0.00 0.00 176.91 177.13 1gqk h PRO 346 N 0.77 0.00 -0.02 -0.22 0.11 -1.80 -2.48 132.00 128.35 1gqk h PRO 346 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1gqk h PRO 346 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1gqk h PRO 346 CO -0.27 0.00 -0.11 1.28 -0.21 0.00 0.00 178.00 178.69 1gqk n LEU 347 N -2.55 2.64 -4.68 2.35 4.77 0.21 -4.94 117.00 114.80 1gqk n LEU 347 Ca -0.02 -0.94 -0.46 0.00 -0.03 0.00 0.00 56.01 54.56 1gqk n LEU 347 Cb 0.05 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1gqk n LEU 347 CO 0.13 0.45 1.49 -0.67 -1.33 0.00 0.00 177.39 177.47 1gqk n ASP 348 N 0.94 3.67 0.00 -1.43 2.03 -0.94 -0.48 116.55 120.34 1gqk n ASP 348 Ca 0.12 0.97 0.00 0.00 0.52 0.00 0.00 54.79 56.40 1gqk n ASP 348 Cb 0.53 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 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 4.34 0.47 0.31 0.27 0.00 -1.24 -4.92 105.19 104.42 1gqk n GLY 349 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 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 0.89 -3.15 1.61 5.02 0.37 -4.91 118.16 115.98 1gqk n LYS 350 Ca 0.00 -0.63 -0.36 0.00 -2.02 0.00 0.00 58.31 55.30 1gqk n LYS 350 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 1gqk n LYS 350 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1gqk s PHE 351 N -2.54 3.67 0.87 2.13 0.08 -1.26 -4.89 117.98 116.04 1gqk s PHE 351 Ca 0.21 1.34 -0.10 0.00 0.12 0.00 0.00 56.93 58.50 1gqk s PHE 351 Cb 0.19 -2.58 0.12 0.00 -0.57 0.00 0.00 43.02 40.18 1gqk s PHE 351 CO 0.56 0.39 1.12 0.00 -0.10 0.00 0.00 175.22 177.19 1gqk s ALA 352 N -1.45 1.71 -1.01 5.36 0.00 -1.26 -4.91 121.76 120.20 1gqk s ALA 352 Ca 0.40 0.44 0.19 0.00 0.00 0.00 0.00 51.96 52.99 1gqk s ALA 352 Cb -0.17 -3.37 0.81 0.00 0.00 0.00 0.00 23.12 20.38 1gqk s ALA 352 CO 0.21 -2.42 1.60 -0.25 0.00 0.00 0.00 175.76 174.91 1gqk n ASP 353 N -3.98 0.00 -1.59 0.00 8.00 -1.26 -1.65 116.55 116.07 1gqk n ASP 353 Ca 0.10 0.49 0.08 0.00 0.71 0.00 0.00 54.79 56.17 1gqk n ASP 353 Cb 0.53 -0.50 0.36 0.00 -0.02 0.00 0.00 41.12 41.49 1gqk n ASP 353 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1gqk n ASN 354 N -1.50 5.16 -4.58 -2.24 6.94 -1.26 -4.82 115.26 112.96 1gqk n ASN 354 Ca 0.05 -2.93 -0.34 0.00 -0.02 0.00 0.00 54.58 51.33 1gqk n ASN 354 Cb 0.22 -0.64 -0.11 0.00 -2.36 0.00 0.00 39.78 36.90 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 -2.73 4.47 -0.13 3.53 1.01 -0.66 -0.69 120.40 125.20 1gqk s VAL 355 Ca 0.51 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1gqk s VAL 355 Cb 0.39 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.78 1gqk s VAL 355 CO 0.14 0.47 -0.19 -0.63 0.00 0.00 0.00 175.10 174.90 1gqk s ILE 356 N 0.39 1.82 -0.34 2.22 1.01 0.61 -4.32 121.20 122.59 1gqk s ILE 356 Ca 0.01 -0.83 -0.27 0.00 0.00 0.00 0.00 60.65 59.56 1gqk s ILE 356 Cb -0.13 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.72 1gqk s ILE 356 CO 0.01 0.50 0.98 -0.22 0.00 0.00 0.00 174.94 176.21 1gqk s LEU 357 N 0.99 3.97 -0.40 2.97 2.96 0.22 -0.50 118.68 128.89 1gqk s LEU 357 Ca -0.05 0.81 -0.19 0.00 -0.22 0.00 0.00 54.13 54.48 1gqk s LEU 357 Cb -0.15 -3.37 0.01 0.00 0.50 0.00 0.00 46.19 43.18 1gqk s LEU 357 CO -0.04 -0.84 0.57 -1.58 -1.32 0.00 0.00 176.35 173.14 1gqk s GLN 358 N 3.50 3.40 -0.12 1.98 0.74 0.31 -0.98 119.66 128.49 1gqk s GLN 358 Ca 0.41 -0.32 0.02 0.00 0.05 0.00 0.00 55.36 55.52 1gqk s GLN 358 Cb -0.12 -3.89 -0.01 0.00 1.10 0.00 0.00 33.01 30.09 1gqk s GLN 358 CO 0.16 -0.84 -0.19 0.42 -0.55 0.00 0.00 175.29 174.30 1gqk s ILE 359 N 2.57 2.52 0.87 -2.34 1.01 0.00 -0.89 121.20 124.94 1gqk s ILE 359 Ca 0.20 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.89 1gqk s ILE 359 Cb -0.15 -2.02 0.12 0.00 0.01 0.00 0.00 42.46 40.42 1gqk s ILE 359 CO 0.16 0.54 1.15 -0.54 0.00 0.00 0.00 174.94 176.25 1gqk s LYS 360 N 0.42 1.34 0.36 2.79 1.02 -1.26 -0.61 119.74 123.81 1gqk s LYS 360 Ca -0.14 1.52 0.04 0.00 0.02 0.00 0.00 55.97 57.41 1gqk s LYS 360 Cb -0.17 -1.77 0.69 0.00 -0.52 0.00 0.00 37.83 36.07 1gqk s LYS 360 CO 0.06 -2.39 2.01 -2.95 -0.92 0.00 0.00 175.35 171.16 1gqk h ASN 361 N -1.58 0.64 -2.34 2.83 -1.07 -1.88 -3.42 115.58 108.77 1gqk h ASN 361 Ca -0.44 -0.03 -0.56 0.00 0.07 0.00 0.00 56.30 55.35 1gqk h ASN 361 Cb 1.27 -0.16 -0.13 0.00 -2.07 0.00 0.00 38.32 37.22 1gqk h ASN 361 CO 0.44 0.48 -0.60 -0.83 0.07 0.00 0.00 177.43 177.00 1gqk s GLY 362 N -3.57 2.35 0.00 9.14 0.00 -1.26 -1.15 107.32 112.84 1gqk s GLY 362 Ca -0.09 -2.06 0.30 0.00 0.00 0.00 0.00 44.72 42.86 1gqk s GLY 362 CO 0.76 -1.97 1.96 -1.55 0.00 0.00 0.00 173.10 172.30 1gqk n PRO 363 N -0.86 0.43 0.00 2.90 -0.04 -1.26 -4.61 135.00 131.57 1gqk n PRO 363 Ca -0.05 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1gqk n PRO 363 Cb 0.67 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.23 0.00 -2.72 0.52 2.08 -1.26 -4.69 119.36 112.06 1gqk n ILE 364 Ca 0.13 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.37 1gqk n ILE 364 Cb 0.27 -0.29 0.06 0.00 -0.75 0.00 0.00 39.64 38.92 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 -2.29 -2.24 4.38 2.03 -1.26 -5.00 116.55 112.15 1gqk n ASP 365 Ca 0.00 -2.71 -0.18 0.00 0.52 0.00 0.00 54.79 52.42 1gqk n ASP 365 Cb 0.00 1.40 -0.02 0.00 -0.72 0.00 0.00 41.12 41.78 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 1.62 -0.97 -1.44 -0.67 3.72 -1.26 -4.94 117.46 113.51 1gqk n PHE 366 Ca 0.06 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.14 1gqk n PHE 366 Cb 0.66 -3.43 0.08 0.00 -0.94 0.00 0.00 39.48 35.85 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 -4.75 2.36 0.46 -1.08 -1.52 -1.26 -4.79 119.66 109.08 1gqk s GLN 367 Ca 0.00 1.37 0.24 0.00 -1.95 0.00 0.00 55.36 55.02 1gqk s GLN 367 Cb 0.00 -1.90 1.25 0.00 -0.22 0.00 0.00 33.01 32.14 1gqk s GLN 367 CO 0.00 -1.59 1.84 -1.35 -0.25 0.00 0.00 175.29 173.94 1gqk h PRO 368 N -0.59 0.24 -3.33 2.91 0.11 -1.92 -3.35 132.00 126.06 1gqk h PRO 368 Ca -0.45 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.38 1gqk h PRO 368 Cb 1.25 -0.05 -0.32 0.00 0.11 0.00 0.00 31.00 31.98 1gqk h PRO 368 CO 0.51 0.16 -0.64 0.50 -0.21 0.00 0.00 178.00 178.33 1gqk s ARG 369 N -5.27 0.05 0.03 1.05 3.52 -1.26 -4.88 118.95 112.19 1gqk s ARG 369 Ca -0.07 0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.86 1gqk s ARG 369 Cb 0.23 -0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 33.40 1gqk s ARG 369 CO 0.79 -0.17 -0.06 -1.21 -0.81 0.00 0.00 175.30 173.84 1gqk s GLU 370 N 1.14 0.46 0.87 5.12 2.02 -1.26 -4.96 118.70 122.09 1gqk s GLU 370 Ca -0.09 -0.59 -0.11 0.00 0.02 0.00 0.00 54.97 54.20 1gqk s GLU 370 Cb -0.12 -0.25 0.12 0.00 0.10 0.00 0.00 34.13 33.97 1gqk s GLU 370 CO -0.05 0.05 1.10 -1.25 0.02 0.00 0.00 175.26 175.12 1gqk s PRO 371 N -1.20 1.43 0.49 0.39 0.04 -1.26 -4.86 135.00 130.03 1gqk s PRO 371 Ca -0.08 1.05 -0.22 0.00 0.04 0.00 0.00 61.00 61.79 1gqk s PRO 371 Cb -0.08 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 1gqk s PRO 371 CO 0.00 -2.19 1.20 -0.59 0.04 0.00 0.00 177.00 175.47 1gqk s PHE 372 N -2.85 2.70 0.01 0.56 -0.12 -1.26 -4.22 117.98 112.80 1gqk s PHE 372 Ca 0.63 1.50 -0.31 0.00 -0.05 0.00 0.00 56.93 58.71 1gqk s PHE 372 Cb -0.19 -3.46 -0.10 0.00 -0.63 0.00 0.00 43.02 38.64 1gqk s PHE 372 CO 0.57 -1.84 1.96 0.43 -0.05 0.00 0.00 175.22 176.29 1gqk n SER 373 N -0.74 4.01 0.17 1.98 7.64 -0.30 -4.70 113.62 121.67 1gqk n SER 373 Ca 0.09 0.92 0.16 0.00 1.01 0.00 0.00 58.87 61.04 1gqk n SER 373 Cb 0.48 -1.49 0.76 0.00 -1.01 0.00 0.00 64.21 62.94 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 10.32 2.01 -0.91 -0.43 0.00 -1.91 -2.04 119.26 126.30 1gqk h ALA 374 Ca -0.50 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.55 1gqk h ALA 374 Cb 1.25 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1gqk h ALA 374 CO 0.94 -0.31 0.58 -0.07 0.00 0.00 0.00 179.25 180.39 1gqk h LEU 375 N 0.00 0.69 -1.41 0.00 3.38 -1.89 -1.81 115.31 114.27 1gqk h LEU 375 Ca 0.11 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1gqk h LEU 375 Cb 0.50 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1gqk h LEU 375 CO -0.00 0.34 0.43 -0.26 0.09 0.00 0.00 178.44 179.04 1gqk h PHE 376 N 0.72 0.75 -0.00 1.13 0.04 -1.74 -0.51 116.94 117.32 1gqk h PHE 376 Ca 0.46 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.25 1gqk h PHE 376 Cb 0.72 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.62 1gqk h PHE 376 CO -0.00 0.44 -0.59 0.00 -0.60 0.00 0.00 178.31 177.55 1gqk n ALA 377 N -2.45 3.81 -0.12 2.45 0.00 -0.78 -4.49 120.51 118.93 1gqk n ALA 377 Ca 0.08 -0.49 -0.19 0.00 0.00 0.00 0.00 53.44 52.85 1gqk n ALA 377 Cb 0.13 -0.96 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 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 1.45 -0.35 3.59 0.00 0.00 -0.74 -4.78 105.19 104.37 1gqk n GLY 378 Ca 0.07 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.47 3.50 0.00 1.61 -1.94 -0.28 -4.87 119.30 114.84 1gqk s MET 379 Ca -0.33 0.66 0.17 0.00 -1.71 0.00 0.00 55.69 54.49 1gqk s MET 379 Cb 0.09 -4.04 -0.01 0.00 2.01 0.00 0.00 34.83 32.88 1gqk s MET 379 CO 0.53 -1.68 0.89 -1.13 -0.01 0.00 0.00 175.02 173.62 1gqk n SER 380 N 8.92 1.68 -0.32 3.03 3.41 -1.26 -4.48 113.62 124.61 1gqk n SER 380 Ca 0.14 -1.34 0.05 0.00 -0.26 0.00 0.00 58.87 57.46 1gqk n SER 380 Cb 0.49 0.47 0.08 0.00 -0.26 0.00 0.00 64.21 64.99 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 -0.11 0.67 -4.19 4.33 1.74 -1.26 -4.68 116.66 113.16 1gqk n ARG 381 Ca 0.07 -1.87 -0.17 0.00 -0.77 0.00 0.00 57.85 55.11 1gqk n ARG 381 Cb 0.36 -1.01 -0.15 0.00 -1.02 0.00 0.00 32.46 30.64 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 -1.51 0.47 0.30 0.55 2.01 -1.26 -3.66 115.64 112.54 1gqk s THR 382 Ca 0.18 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.66 1gqk s THR 382 Cb 0.16 -0.42 -0.10 0.00 0.01 0.00 0.00 72.50 72.14 1gqk s THR 382 CO 0.01 0.15 1.44 0.20 -0.69 0.00 0.00 174.62 175.72 1gqk s ASN 383 N 0.07 6.59 0.09 3.53 0.01 -1.26 -4.94 114.94 119.03 1gqk s ASN 383 Ca -0.00 2.79 0.05 0.00 -0.71 0.00 0.00 52.86 54.98 1gqk s ASN 383 Cb -0.05 -2.64 -0.03 0.00 0.41 0.00 0.00 41.25 38.94 1gqk s ASN 383 CO -0.00 -0.72 -0.13 -0.04 -1.51 0.00 0.00 177.10 174.70 1gqk s MET 384 N -1.10 0.87 0.05 -0.60 -1.94 -1.26 -0.61 119.30 114.72 1gqk s MET 384 Ca 0.56 -1.08 -0.04 0.00 -1.71 0.00 0.00 55.69 53.42 1gqk s MET 384 Cb -0.43 -0.76 -0.02 0.00 2.01 0.00 0.00 34.83 35.64 1gqk s MET 384 CO 0.50 0.15 0.06 0.00 -0.01 0.00 0.00 175.02 175.72 1gqk s MET 385 N -2.25 0.62 0.13 2.03 0.23 -0.15 -4.10 119.30 115.81 1gqk s MET 385 Ca 0.03 -0.94 -0.13 0.00 -1.03 0.00 0.00 55.69 53.62 1gqk s MET 385 Cb -0.07 0.24 -0.07 0.00 -1.53 0.00 0.00 34.83 33.40 1gqk s MET 385 CO 0.02 -0.15 0.50 1.41 -2.03 0.00 0.00 175.02 174.77 1gqk s MET 386 N -3.19 3.91 -0.21 3.16 1.75 -0.94 -0.82 119.30 122.97 1gqk s MET 386 Ca 0.00 0.39 0.02 0.00 -1.25 0.00 0.00 55.69 54.85 1gqk s MET 386 Cb 0.02 -2.94 0.04 0.00 2.84 0.00 0.00 34.83 34.79 1gqk s MET 386 CO -0.07 0.50 -0.15 -2.00 -0.65 0.00 0.00 175.02 172.65 1gqk s GLU 387 N -1.96 2.53 0.19 4.11 2.12 0.22 0.28 118.70 126.18 1gqk s GLU 387 Ca 0.37 -0.99 0.08 0.00 0.36 0.00 0.00 54.97 54.78 1gqk s GLU 387 Cb -0.15 -2.63 -0.04 0.00 0.26 0.00 0.00 34.13 31.58 1gqk s GLU 387 CO 0.19 -0.37 0.01 -0.06 -0.54 0.00 0.00 175.26 174.48 1gqk s PHE 388 N 1.26 2.83 -0.15 5.30 2.99 -0.08 -2.44 117.98 127.69 1gqk s PHE 388 Ca -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 56.93 56.74 1gqk s PHE 388 Cb -0.16 -1.35 -0.03 0.00 0.00 0.00 0.00 43.02 41.48 1gqk s PHE 388 CO -0.09 0.53 -0.04 -1.14 -0.00 0.00 0.00 175.22 174.48 1gqk s GLN 389 N -3.11 3.65 -0.19 0.44 0.74 -1.26 -0.82 119.66 119.11 1gqk s GLN 389 Ca 0.28 -0.52 -0.08 0.00 0.05 0.00 0.00 55.36 55.09 1gqk s GLN 389 Cb -0.09 -2.91 -0.09 0.00 1.10 0.00 0.00 33.01 31.03 1gqk s GLN 389 CO 0.19 0.26 -0.24 -0.89 -0.55 0.00 0.00 175.29 174.07 1gqk n ILE 390 N 3.47 1.04 -1.68 -2.34 -0.00 -0.23 -4.89 119.36 114.73 1gqk n ILE 390 Ca -0.17 -0.28 -0.44 0.00 -0.00 0.00 0.00 62.75 61.86 1gqk n ILE 390 Cb 0.52 -1.69 -0.02 0.00 -0.00 0.00 0.00 39.64 38.46 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 -3.77 1.55 -1.64 1.39 5.66 -0.40 -4.82 114.28 112.25 1gqk n THR 391 Ca -0.37 -0.39 -0.36 0.00 -3.05 0.00 0.00 64.05 59.88 1gqk n THR 391 Cb 0.77 -1.49 -0.03 0.00 -1.55 0.00 0.00 70.33 68.03 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 1.20 3.85 -0.24 1.09 6.02 -1.26 -4.64 117.38 123.39 1gqk n GLN 392 Ca 0.08 -2.74 0.04 0.00 -0.01 0.00 0.00 57.00 54.37 1gqk n GLN 392 Cb 0.34 -2.57 0.28 0.00 1.02 0.00 0.00 30.24 29.31 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 4.40 0.90 -0.09 -1.09 4.81 -1.88 0.41 114.58 122.04 1gqk h GLU 393 Ca 0.68 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.85 1gqk h GLU 393 Cb 0.44 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1gqk h GLU 393 CO 1.40 0.60 0.00 0.66 -0.73 0.00 0.00 179.01 180.94 1gqk n TYR 394 N -4.47 0.12 -1.04 0.92 4.01 -1.26 -4.52 117.16 110.92 1gqk n TYR 394 Ca 0.11 -0.25 0.08 0.00 -0.16 0.00 0.00 57.90 57.68 1gqk n TYR 394 Cb 0.17 -0.02 0.11 0.00 -0.31 0.00 0.00 39.34 39.29 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 0.18 0.00 0.00 -0.72 3.72 -1.10 -4.79 117.46 114.75 1gqk n PHE 395 Ca 0.05 -0.83 0.00 0.00 -0.05 0.00 0.00 57.45 56.62 1gqk n PHE 395 Cb 0.24 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 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 -1.16 1.88 7.00 1.37 0.00 -1.07 -4.58 105.19 108.64 1gqk n GLY 396 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.01 0.00 -0.53 1.61 3.01 0.11 -1.86 117.46 118.80 1gqk n PHE 397 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 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 11.25 2.68 0.16 4.37 0.00 -1.26 -4.45 120.51 133.26 1gqk n ALA 398 Ca 0.00 -1.58 0.05 0.00 0.00 0.00 0.00 53.44 51.90 1gqk n ALA 398 Cb 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 19.45 18.66 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 0.54 0.00 -3.93 0.00 -2.24 -0.77 -4.02 114.28 103.86 1gqk n THR 399 Ca 0.19 -0.24 -0.36 0.00 -2.27 0.00 0.00 64.05 61.37 1gqk n THR 399 Cb 0.70 0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 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 -2.36 3.54 -0.30 4.78 3.76 -0.97 -4.03 115.29 119.72 1gqk s HIS 400 Ca -0.01 0.46 -0.22 0.00 -0.15 0.00 0.00 55.06 55.14 1gqk s HIS 400 Cb 0.06 -1.90 -0.00 0.00 1.11 0.00 0.00 32.58 31.85 1gqk s HIS 400 CO 0.39 0.70 0.73 -1.17 -0.85 0.00 0.00 174.74 174.53 1gqk s LEU 401 N -1.19 4.11 -0.47 0.89 0.20 -1.26 -4.88 118.68 116.07 1gqk s LEU 401 Ca 0.17 0.60 0.06 0.00 0.69 0.00 0.00 54.13 55.65 1gqk s LEU 401 Cb -0.12 -2.98 0.18 0.00 -0.43 0.00 0.00 46.19 42.84 1gqk s LEU 401 CO 0.07 -0.55 0.57 0.00 -0.29 0.00 0.00 176.35 176.15 1gqk s ALA 402 N 2.81 -0.75 0.10 5.97 0.00 -1.26 -4.79 121.76 123.83 1gqk s ALA 402 Ca 0.30 -1.19 -0.31 0.00 0.00 0.00 0.00 51.96 50.76 1gqk s ALA 402 Cb -0.14 -2.28 -0.11 0.00 0.00 0.00 0.00 23.12 20.59 1gqk s ALA 402 CO 0.12 -2.14 1.86 0.98 0.00 0.00 0.00 175.76 176.58 1gqk n TYR 403 N 2.97 2.58 1.14 0.00 9.36 -1.26 -4.86 117.16 127.09 1gqk n TYR 403 Ca 0.22 -0.17 0.12 0.00 3.32 0.00 0.00 57.90 61.40 1gqk n TYR 403 Cb 0.53 -2.73 0.20 0.00 -0.63 0.00 0.00 39.34 36.70 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 5.95 1.34 -0.30 2.98 1.13 -1.26 -4.09 117.38 123.13 1gqk n GLN 404 Ca 0.19 -0.99 0.01 0.00 -1.94 0.00 0.00 57.00 54.26 1gqk n GLN 404 Cb 0.37 -1.48 0.08 0.00 0.11 0.00 0.00 30.24 29.32 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 4.85 0.37 1.97 1.08 0.00 -1.88 -0.66 103.07 108.80 1gqk h GLY 405 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 1gqk h GLY 405 CO 0.00 -0.28 -0.15 -2.55 0.00 0.00 0.00 176.54 173.56 1gqk h PRO 406 N -0.03 0.03 -0.24 4.80 0.11 -1.91 0.44 132.00 135.20 1gqk h PRO 406 Ca 0.37 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.39 1gqk h PRO 406 Cb 0.61 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 1gqk h PRO 406 CO -0.88 0.18 -0.18 1.25 -0.21 0.00 0.00 178.00 178.17 1gqk h LEU 407 N 0.03 0.58 -0.27 2.35 6.46 -1.44 -0.66 115.31 122.36 1gqk h LEU 407 Ca 0.01 -0.44 -0.03 0.00 -0.12 0.00 0.00 57.88 57.29 1gqk h LEU 407 Cb 0.28 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1gqk h LEU 407 CO 0.02 0.90 0.07 -0.26 -0.62 0.00 0.00 178.44 178.55 1gqk h PHE 408 N 0.26 0.46 -0.58 1.25 0.04 -1.02 -1.44 116.94 115.91 1gqk h PHE 408 Ca 0.05 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1gqk h PHE 408 Cb 0.71 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.70 1gqk h PHE 408 CO 0.07 0.51 0.30 1.49 -0.60 0.00 0.00 178.31 180.08 1gqk h GLU 409 N 0.27 0.82 -0.43 1.51 4.81 -0.88 -0.77 114.58 119.91 1gqk h GLU 409 Ca 0.09 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1gqk h GLU 409 Cb 0.28 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1gqk h GLU 409 CO 0.00 0.64 0.19 1.49 -0.73 0.00 0.00 179.01 180.60 1gqk h GLU 410 N 0.78 0.37 0.64 1.92 4.81 -0.91 -1.26 114.58 120.94 1gqk h GLU 410 Ca 0.20 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1gqk h GLU 410 Cb 0.08 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.38 1gqk h GLU 410 CO -0.03 0.25 -0.31 0.77 -0.73 0.00 0.00 179.01 178.96 1gqk h SER 411 N 0.38 -0.73 -0.01 1.04 0.02 -0.97 -2.70 113.55 110.58 1gqk h SER 411 Ca 0.19 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1gqk h SER 411 Cb 0.13 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1gqk h SER 411 CO -0.16 -0.52 -0.03 -0.07 -1.14 0.00 0.00 176.83 174.92 1gqk h LEU 412 N -0.86 0.10 -1.67 5.07 3.38 -0.88 -1.69 115.31 118.76 1gqk h LEU 412 Ca -0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1gqk h LEU 412 Cb 0.66 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1gqk h LEU 412 CO 0.14 0.15 0.00 0.29 0.09 0.00 0.00 178.44 179.12 1gqk n LYS 413 N -4.44 2.10 -2.11 1.13 5.02 -0.50 -0.85 118.16 118.51 1gqk n LYS 413 Ca -0.02 -1.65 -0.42 0.00 -2.02 0.00 0.00 58.31 54.21 1gqk n LYS 413 Cb 0.15 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.68 3.45 -0.08 -0.18 2.01 -0.64 -4.83 115.64 113.70 1gqk s THR 414 Ca 0.35 0.87 -0.30 0.00 0.31 0.00 0.00 61.69 62.92 1gqk s THR 414 Cb 0.20 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 1gqk s THR 414 CO 0.29 0.00 1.15 -0.70 -0.69 0.00 0.00 174.62 174.67 1gqk s GLU 415 N 2.41 4.36 -0.01 4.92 2.56 -1.26 -1.61 118.70 130.07 1gqk s GLU 415 Ca 0.67 1.60 0.17 0.00 0.00 0.00 0.00 54.97 57.42 1gqk s GLU 415 Cb -0.35 -3.56 -0.22 0.00 2.00 0.00 0.00 34.13 32.00 1gqk s GLU 415 CO 0.29 -0.43 0.61 0.25 -0.56 0.00 0.00 175.26 175.41 1gqk n THR 416 N 4.65 0.00 -1.47 -1.70 -2.24 -0.33 -4.96 114.28 108.24 1gqk n THR 416 Ca 0.11 -0.21 -0.17 0.00 -2.27 0.00 0.00 64.05 61.51 1gqk n THR 416 Cb 0.47 0.67 -0.07 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.66 -0.08 -0.23 4.78 -0.00 -1.25 -4.58 115.22 112.19 1gqk n HIS 417 Ca 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.76 1gqk n HIS 417 Cb 0.34 -3.08 0.14 0.00 -0.00 0.00 0.00 29.99 27.39 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 0.17 0.80 -1.33 -1.41 0.00 -1.86 -2.33 119.26 113.30 1gqk h ALA 418 Ca -0.34 0.17 -0.48 0.00 0.00 0.00 0.00 54.91 54.26 1gqk h ALA 418 Cb 1.19 0.26 -0.41 0.00 0.00 0.00 0.00 17.79 18.83 1gqk h ALA 418 CO 0.50 -0.35 -0.96 0.54 0.00 0.00 0.00 179.25 178.98 1gqk n ARG 419 N -5.20 2.29 0.00 0.00 1.74 -1.26 -5.04 116.66 109.20 1gqk n ARG 419 Ca 0.12 -3.91 0.00 0.00 -0.77 0.00 0.00 57.85 53.29 1gqk n ARG 419 Cb 0.41 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1gqk n ARG 419 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gqk n GLY 420 N -0.25 -2.09 3.74 -0.13 0.00 -0.88 -4.83 105.19 100.74 1gqk n GLY 420 Ca 0.25 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 1gqk n GLY 420 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gqk s GLU 421 N -0.09 2.84 0.00 1.61 2.02 -1.26 -2.86 118.70 120.96 1gqk s GLU 421 Ca 0.00 2.06 0.00 0.00 0.02 0.00 0.00 54.97 57.05 1gqk s GLU 421 Cb 0.00 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.23 1gqk s GLU 421 CO 0.00 -1.37 0.00 0.41 0.02 0.00 0.00 175.26 174.32 1gqk n GLY 422 N 0.76 0.75 2.41 -1.39 0.00 -1.26 -4.98 105.19 101.48 1gqk n GLY 422 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 8.13 -4.79 1.61 7.64 -1.13 -4.83 113.62 120.25 1gqk n SER 423 Ca 0.00 -2.95 -0.31 0.00 1.01 0.00 0.00 58.87 56.62 1gqk n SER 423 Cb 0.00 -1.42 0.08 0.00 -1.01 0.00 0.00 64.21 61.86 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 -0.12 3.54 0.20 0.44 -4.23 -1.26 -1.18 115.64 113.03 1gqk s THR 424 Ca 0.60 0.50 -0.11 0.00 -1.18 0.00 0.00 61.69 61.50 1gqk s THR 424 Cb 0.20 -3.11 0.11 0.00 1.34 0.00 0.00 72.50 71.04 1gqk s THR 424 CO -0.09 -0.65 1.80 0.40 -0.54 0.00 0.00 174.62 175.54 1gqk h ILE 425 N -0.99 0.97 -0.66 2.99 1.08 -1.30 -0.13 117.51 119.48 1gqk h ILE 425 Ca -0.44 -0.21 0.03 0.00 -0.39 0.00 0.00 64.86 63.85 1gqk h ILE 425 Cb 1.23 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 35.24 1gqk h ILE 425 CO 0.54 0.11 0.40 1.23 -0.69 0.00 0.00 178.15 179.75 1gqk h GLY 426 N 0.61 0.95 1.61 5.37 0.00 -1.26 0.37 103.07 110.72 1gqk h GLY 426 Ca 0.26 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 1gqk h GLY 426 CO -0.17 0.24 -0.33 3.43 0.00 0.00 0.00 176.54 179.72 1gqk h ASN 427 N 0.78 0.46 0.16 0.19 2.35 -1.67 -0.20 115.58 117.64 1gqk h ASN 427 Ca 0.27 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1gqk h ASN 427 Cb 0.05 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1gqk h ASN 427 CO -0.12 0.76 -0.08 0.40 -1.65 0.00 0.00 177.43 176.75 1gqk h ILE 428 N 0.38 0.92 -1.00 2.81 2.04 -0.33 -1.52 117.51 120.81 1gqk h ILE 428 Ca 0.05 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1gqk h ILE 428 Cb 0.77 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 1gqk h ILE 428 CO 0.06 0.07 0.66 -0.07 0.00 0.00 0.00 178.15 178.87 1gqk h LEU 429 N -0.36 1.12 -2.03 1.44 3.38 -0.68 -2.16 115.31 116.02 1gqk h LEU 429 Ca -0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1gqk h LEU 429 Cb 0.28 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1gqk h LEU 429 CO 0.04 0.80 -0.06 -0.08 0.09 0.00 0.00 178.44 179.22 1gqk h GLU 430 N 1.32 0.00 0.00 1.13 4.81 -0.93 -3.39 114.58 117.51 1gqk h GLU 430 Ca 0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1gqk h GLU 430 Cb -0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1gqk h GLU 430 CO -0.10 0.06 0.00 0.41 -0.73 0.00 0.00 179.01 178.66 1gqk n GLY 431 N -0.58 0.97 0.09 1.92 0.00 -0.81 -4.96 105.19 101.81 1gqk n GLY 431 Ca -0.01 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1gqk n GLY 431 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gqk n LYS 432 N -2.06 0.23 -0.05 1.61 5.02 -0.60 -4.40 118.16 117.90 1gqk n LYS 432 Ca 0.00 0.17 -0.05 0.00 -2.02 0.00 0.00 58.31 56.41 1gqk n LYS 432 Cb 0.00 -1.75 -0.02 0.00 -0.02 0.00 0.00 35.03 33.25 1gqk n LYS 432 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1gqk n VAL 433 N -2.14 0.89 -3.93 -0.18 0.31 -1.22 -4.93 118.33 107.13 1gqk n VAL 433 Ca 0.05 0.30 -0.36 0.00 -0.01 0.00 0.00 64.34 64.32 1gqk n VAL 433 Cb 0.42 -2.02 -0.06 0.00 -0.91 0.00 0.00 33.84 31.27 1gqk n VAL 433 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1gqk s PHE 434 N -2.05 3.55 -0.04 3.52 0.08 -1.26 -5.03 117.98 116.76 1gqk s PHE 434 Ca -0.15 0.47 -0.30 0.00 0.12 0.00 0.00 56.93 57.07 1gqk s PHE 434 Cb 0.02 -1.91 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 1gqk s PHE 434 CO 0.23 0.70 1.19 0.15 -0.10 0.00 0.00 175.22 177.39 1gqk s LYS 435 N -1.16 4.37 0.16 0.44 1.02 -1.26 -4.65 119.74 118.66 1gqk s LYS 435 Ca 0.17 1.68 -0.02 0.00 0.02 0.00 0.00 55.97 57.81 1gqk s LYS 435 Cb -0.12 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 1gqk s LYS 435 CO 0.06 -0.40 0.11 -0.08 -0.92 0.00 0.00 175.35 174.12 1gqk s THR 436 N 2.00 0.07 -0.22 2.17 -1.32 -1.26 -4.91 115.64 112.16 1gqk s THR 436 Ca 0.56 -1.87 0.04 0.00 -1.21 0.00 0.00 61.69 59.20 1gqk s THR 436 Cb -0.25 -2.17 -0.20 0.00 -1.51 0.00 0.00 72.50 68.37 1gqk s THR 436 CO 0.23 -0.30 -0.06 -1.14 -2.21 0.00 0.00 174.62 171.15 1gqk n ARG 437 N -0.17 0.67 -4.55 7.08 3.00 -1.26 -4.97 116.66 116.46 1gqk n ARG 437 Ca -0.03 0.15 -0.23 0.00 -0.00 0.00 0.00 57.85 57.73 1gqk n ARG 437 Cb 0.64 -1.56 -0.16 0.00 0.00 0.00 0.00 32.46 31.38 1gqk n ARG 437 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1gqk s HIS 438 N -2.52 1.31 0.21 -0.14 3.76 -1.26 -5.10 115.29 111.54 1gqk s HIS 438 Ca -0.28 -0.41 0.09 0.00 -0.15 0.00 0.00 55.06 54.31 1gqk s HIS 438 Cb 0.08 -0.94 -0.05 0.00 1.11 0.00 0.00 32.58 32.78 1gqk s HIS 438 CO 0.67 -0.19 -0.17 0.95 -0.85 0.00 0.00 174.74 175.15 1gqk s THR 439 N 0.40 1.95 0.00 1.30 -4.23 -1.26 -4.10 115.64 109.70 1gqk s THR 439 Ca -0.09 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.28 1gqk s THR 439 Cb -0.13 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1gqk s THR 439 CO 0.02 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1gqk n GLY 440 N -0.18 -0.64 3.34 3.99 0.00 -1.26 -0.79 105.19 109.66 1gqk n GLY 440 Ca -0.09 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 1gqk n GLY 440 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1gqk s MET 441 N -2.00 0.60 0.03 1.61 0.23 -0.31 -2.20 119.30 117.26 1gqk s MET 441 Ca 0.00 0.44 0.08 0.00 -1.03 0.00 0.00 55.69 55.18 1gqk s MET 441 Cb 0.00 0.29 -0.02 0.00 -1.53 0.00 0.00 34.83 33.56 1gqk s MET 441 CO 0.00 -0.11 -0.23 0.00 -2.03 0.00 0.00 175.02 172.65 1gqk s ALA 442 N -0.18 1.95 -0.09 3.16 0.00 0.14 -1.29 121.76 125.45 1gqk s ALA 442 Ca -0.04 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1gqk s ALA 442 Cb -0.03 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1gqk s ALA 442 CO 0.02 0.46 -0.08 0.20 0.00 0.00 0.00 175.76 176.35 1gqk s GLY 443 N -1.04 0.78 -0.77 0.00 0.00 -0.37 -0.90 107.32 105.04 1gqk s GLY 443 Ca 0.09 -0.47 -0.24 0.00 0.00 0.00 0.00 44.72 44.10 1gqk s GLY 443 CO 0.01 0.60 1.19 0.14 0.00 0.00 0.00 173.10 175.05 1gqk s VAL 444 N 1.37 4.02 -0.09 1.40 1.01 -0.00 -0.58 120.40 127.53 1gqk s VAL 444 Ca -0.01 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.88 1gqk s VAL 444 Cb -0.14 -4.85 -0.24 0.00 0.00 0.00 0.00 36.38 31.15 1gqk s VAL 444 CO -0.04 -1.72 0.47 2.30 0.00 0.00 0.00 175.10 176.11 1gqk n ILE 445 N 6.24 1.64 -4.29 2.22 -5.35 -0.95 -1.07 119.36 117.81 1gqk n ILE 445 Ca 0.07 -0.74 -0.31 0.00 -0.27 0.00 0.00 62.75 61.49 1gqk n ILE 445 Cb 0.48 -1.24 -0.09 0.00 -1.74 0.00 0.00 39.64 37.05 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 -3.17 0.65 -4.37 7.28 5.03 -1.24 -3.96 115.26 115.47 1gqk n ASN 446 Ca -0.25 -1.27 -0.29 0.00 0.87 0.00 0.00 54.58 53.64 1gqk n ASN 446 Cb 1.06 -1.68 0.17 0.00 -1.02 0.00 0.00 39.78 38.31 1gqk n ASN 446 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1gqk s PRO 447 N -7.35 0.49 0.00 3.52 0.04 -1.26 -4.37 135.00 126.08 1gqk s PRO 447 Ca 0.02 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.05 1gqk s PRO 447 Cb -0.01 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1gqk s PRO 447 CO 0.99 -2.58 0.00 0.41 0.04 0.00 0.00 177.00 175.87 1gqk n GLY 448 N -2.45 3.33 0.00 0.56 0.00 -0.18 -4.66 105.19 101.79 1gqk n GLY 448 Ca 0.11 -1.19 0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 0.34 -1.54 2.61 -2.24 -0.09 -4.34 114.28 109.01 1gqk n THR 449 Ca 0.00 0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 1gqk n THR 449 Cb 0.00 -0.73 0.02 0.00 -2.10 0.00 0.00 70.33 67.51 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 -1.29 0.28 -0.26 3.42 9.92 -0.90 -4.83 116.55 122.89 1gqk n ASP 450 Ca 0.10 0.95 0.19 0.00 -0.53 0.00 0.00 54.79 55.49 1gqk n ASP 450 Cb 0.17 -1.26 0.49 0.00 -0.64 0.00 0.00 41.12 39.89 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 1.08 0.43 -0.62 -1.24 9.65 -1.89 -0.75 114.38 121.04 1gqk h ARG 451 Ca -0.43 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1gqk h ARG 451 Cb 1.37 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 1gqk h ARG 451 CO 0.54 0.29 0.00 0.27 2.80 0.00 0.00 179.97 183.86 1gqk n ASN 452 N -4.54 3.44 0.00 -3.80 6.94 -1.25 -3.43 115.26 112.63 1gqk n ASN 452 Ca 0.20 -2.07 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 1gqk n ASN 452 Cb 0.70 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 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 1.22 0.00 0.15 -2.53 7.02 -0.29 -4.46 117.44 118.56 1gqk n TRP 453 Ca 0.21 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.70 1gqk n TRP 453 Cb 0.57 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.46 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 -1.01 114.28 108.78 1gqk n THR 454 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1gqk n THR 454 Cb 0.00 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.52 2.27 3.70 3.38 0.00 -1.26 -4.56 105.19 109.23 1gqk n GLY 455 Ca 0.02 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 3.56 0.44 1.61 5.65 -1.26 -4.94 115.29 120.35 1gqk s HIS 456 Ca 0.00 1.54 0.19 0.00 0.25 0.00 0.00 55.06 57.04 1gqk s HIS 456 Cb 0.00 -3.10 1.13 0.00 -1.18 0.00 0.00 32.58 29.44 1gqk s HIS 456 CO 0.00 -0.12 1.89 -1.35 -0.65 0.00 0.00 174.74 174.51 1gqk h PRO 457 N 6.99 0.33 0.00 2.88 0.11 -1.91 -1.89 132.00 138.51 1gqk h PRO 457 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1gqk h PRO 457 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1gqk h PRO 457 CO 0.81 0.22 0.00 1.19 -0.21 0.00 0.00 178.00 180.01 1gqk n PHE 458 N -4.47 0.79 0.25 0.65 3.01 -1.26 -2.51 117.46 113.92 1gqk n PHE 458 Ca 0.17 0.24 0.08 0.00 1.01 0.00 0.00 57.45 58.95 1gqk n PHE 458 Cb 0.66 -0.90 0.62 0.00 -0.01 0.00 0.00 39.48 39.85 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 0.95 -0.99 -4.37 2.07 -1.65 -1.89 116.25 110.37 1gqk h VAL 459 Ca 0.00 -0.34 0.13 0.00 0.82 0.00 0.00 66.70 67.31 1gqk h VAL 459 Cb 0.63 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 1gqk h VAL 459 CO 0.00 0.09 0.62 1.56 0.02 0.00 0.00 177.57 179.87 1gqk h GLN 460 N 0.00 0.91 -0.06 1.57 4.20 -1.63 -1.13 115.11 118.97 1gqk h GLN 460 Ca -0.00 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1gqk h GLN 460 Cb 0.18 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1gqk h GLN 460 CO 0.01 0.61 -0.09 0.66 -0.67 0.00 0.00 178.83 179.34 1gqk h SER 461 N 0.94 0.08 -0.06 1.46 4.64 -1.51 -0.05 113.55 119.04 1gqk h SER 461 Ca 0.50 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.61 1gqk h SER 461 Cb 0.54 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1gqk h SER 461 CO -0.26 0.19 -0.73 0.28 -0.87 0.00 0.00 176.83 175.43 1gqk h SER 462 N 0.08 0.75 -0.43 4.97 0.02 -1.25 -1.37 113.55 116.33 1gqk h SER 462 Ca 0.02 -0.69 -0.01 0.00 -0.84 0.00 0.00 61.79 60.26 1gqk h SER 462 Cb 0.22 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1gqk h SER 462 CO 0.01 1.33 0.22 -0.25 -1.14 0.00 0.00 176.83 177.01 1gqk h TRP 463 N 0.23 0.60 -0.08 3.45 2.91 -1.18 -1.20 115.95 120.69 1gqk h TRP 463 Ca -0.07 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 59.96 1gqk h TRP 463 Cb 1.39 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 29.81 1gqk h TRP 463 CO 0.11 0.48 -0.17 -0.92 -1.03 0.00 0.00 178.44 176.92 1gqk h TYR 464 N 0.55 -0.43 -0.69 2.65 3.20 -0.93 -2.04 116.97 119.29 1gqk h TYR 464 Ca 0.15 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 1gqk h TYR 464 Cb 0.09 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1gqk h TYR 464 CO -0.02 -0.24 0.24 0.00 -1.64 0.00 0.00 178.16 176.50 1gqk h ALA 465 N 0.76 0.90 0.01 1.82 0.00 -1.08 -1.46 119.26 120.21 1gqk h ALA 465 Ca 0.08 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1gqk h ALA 465 Cb 0.34 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1gqk h ALA 465 CO -0.21 0.56 -0.22 0.35 0.00 0.00 0.00 179.25 179.72 1gqk h PHE 466 N 1.00 -0.59 -0.43 0.00 3.57 -1.02 -0.20 116.94 119.26 1gqk h PHE 466 Ca 0.23 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1gqk h PHE 466 Cb 0.27 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1gqk h PHE 466 CO 0.02 -0.31 0.28 0.78 -2.23 0.00 0.00 178.31 176.85 1gqk h GLY 467 N -0.36 0.61 1.01 2.40 0.00 -1.01 -0.24 103.07 105.48 1gqk h GLY 467 Ca 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1gqk h GLY 467 CO -0.20 0.21 0.46 3.21 0.00 0.00 0.00 176.54 180.22 1gqk h ARG 468 N 0.57 0.92 0.00 4.80 2.47 -1.06 -2.34 114.38 119.75 1gqk h ARG 468 Ca 0.16 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.76 1gqk h ARG 468 Cb -0.04 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.06 1gqk h ARG 468 CO -0.05 0.61 -0.33 0.52 0.56 0.00 0.00 179.97 181.29 1gqk h MET 469 N 0.95 0.00 -0.10 0.04 2.86 -0.68 -0.35 114.93 117.65 1gqk h MET 469 Ca 0.26 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.79 1gqk h MET 469 Cb -0.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1gqk h MET 469 CO -0.06 0.33 -0.42 0.00 1.06 0.00 0.00 176.91 177.82 1gqk h ALA 470 N 1.67 1.11 -0.04 6.32 0.00 -0.62 -1.55 119.26 126.15 1gqk h ALA 470 Ca -0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1gqk h ALA 470 Cb 0.90 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1gqk h ALA 470 CO 0.04 0.59 -0.34 2.35 0.00 0.00 0.00 179.25 181.90 1gqk h TRP 471 N 0.18 0.41 -2.54 0.00 2.91 -1.00 -3.34 115.95 112.58 1gqk h TRP 471 Ca 0.02 -0.20 -0.40 0.00 1.13 0.00 0.00 58.89 59.44 1gqk h TRP 471 Cb 0.83 -0.06 -0.37 0.00 -0.51 0.00 0.00 29.16 29.05 1gqk h TRP 471 CO 0.01 0.96 -0.69 0.34 -1.03 0.00 0.00 178.44 178.04 1gqk s ASP 472 N -6.41 2.20 0.00 2.65 2.15 -0.18 -0.25 116.67 116.83 1gqk s ASP 472 Ca -0.15 -0.74 0.09 0.00 0.43 0.00 0.00 52.55 52.19 1gqk s ASP 472 Cb 0.03 0.14 0.43 0.00 -0.30 0.00 0.00 42.92 43.22 1gqk s ASP 472 CO 0.77 -0.38 1.23 0.00 -0.17 0.00 0.00 175.17 176.62 1gqk n HIS 473 N 5.29 0.00 1.12 -5.34 1.44 -0.59 -1.42 115.22 115.72 1gqk n HIS 473 Ca -0.05 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.78 1gqk n HIS 473 Cb 0.46 -0.39 0.19 0.00 0.12 0.00 0.00 29.99 30.38 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 -1.39 0.90 -1.93 -1.40 6.02 -1.26 -4.80 117.38 113.52 1gqk n GLN 474 Ca 0.03 -0.64 -0.42 0.00 -0.01 0.00 0.00 57.00 55.96 1gqk n GLN 474 Cb 0.09 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 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 -2.54 2.53 0.60 5.09 1.01 -0.50 -4.98 121.20 122.40 1gqk s ILE 475 Ca 0.20 0.41 -0.09 0.00 0.00 0.00 0.00 60.65 61.17 1gqk s ILE 475 Cb 0.19 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 1gqk s ILE 475 CO 0.57 0.04 0.97 -0.94 0.00 0.00 0.00 174.94 175.58 1gqk s SER 476 N 0.85 6.03 0.34 3.58 1.04 -1.26 -4.89 113.70 119.39 1gqk s SER 476 Ca 0.67 1.17 0.02 0.00 0.48 0.00 0.00 55.95 58.28 1gqk s SER 476 Cb -0.44 -2.24 0.60 0.00 0.10 0.00 0.00 66.02 64.05 1gqk s SER 476 CO 0.37 -0.90 1.97 0.00 0.98 0.00 0.00 173.24 175.66 1gqk h ALA 477 N -0.22 1.49 -0.06 5.32 0.00 -1.94 -2.40 119.26 121.44 1gqk h ALA 477 Ca -0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1gqk h ALA 477 Cb 1.21 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1gqk h ALA 477 CO 0.62 0.44 0.03 0.00 0.00 0.00 0.00 179.25 180.34 1gqk h ALA 478 N 1.56 0.08 -0.22 0.00 0.00 -1.94 0.31 119.26 119.05 1gqk h ALA 478 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1gqk h ALA 478 Cb -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1gqk h ALA 478 CO -0.04 -0.37 0.14 1.15 0.00 0.00 0.00 179.25 180.13 1gqk h THR 479 N -0.02 1.04 -0.89 0.00 2.02 -1.87 0.28 112.91 113.46 1gqk h THR 479 Ca 0.02 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1gqk h THR 479 Cb 0.11 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 1gqk h THR 479 CO -0.00 0.05 0.53 0.00 0.37 0.00 0.00 175.52 176.46 1gqk h ALA 480 N 1.09 1.14 -0.71 6.16 0.00 -1.30 -1.12 119.26 124.51 1gqk h ALA 480 Ca 0.08 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1gqk h ALA 480 Cb -0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1gqk h ALA 480 CO -0.03 0.61 0.17 0.00 0.00 0.00 0.00 179.25 180.01 1gqk h ALA 481 N 1.29 0.93 -0.28 0.00 0.00 -0.42 0.11 119.26 120.89 1gqk h ALA 481 Ca 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gqk h ALA 481 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1gqk h ALA 481 CO -0.06 0.66 0.16 0.22 0.00 0.00 0.00 179.25 180.24 1gqk h ASP 482 N 1.07 0.34 0.11 0.00 3.58 0.14 -1.58 116.42 120.08 1gqk h ASP 482 Ca 0.22 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1gqk h ASP 482 Cb 0.38 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1gqk h ASP 482 CO 0.00 0.31 -0.11 -0.33 -2.88 0.00 0.00 179.24 176.23 1gqk h GLU 483 N 0.35 -0.24 -0.75 0.28 5.08 -1.02 -2.71 114.58 115.57 1gqk h GLU 483 Ca 0.10 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1gqk h GLU 483 Cb 0.04 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1gqk h GLU 483 CO -0.02 -0.16 0.48 2.35 -1.00 0.00 0.00 179.01 180.66 1gqk h TRP 484 N -0.25 0.90 -0.72 4.33 7.01 -0.84 -1.53 115.95 124.85 1gqk h TRP 484 Ca 0.00 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 60.97 1gqk h TRP 484 Cb 0.24 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.97 1gqk h TRP 484 CO -0.12 0.53 0.23 -0.07 -2.79 0.00 0.00 178.44 176.22 1gqk h LEU 485 N 0.95 1.05 -0.44 0.65 3.38 -1.28 -0.44 115.31 119.19 1gqk h LEU 485 Ca 0.29 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1gqk h LEU 485 Cb -0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1gqk h LEU 485 CO -0.09 0.98 0.11 0.03 0.09 0.00 0.00 178.44 179.55 1gqk h ARG 486 N 1.07 0.70 0.00 1.13 3.08 -1.12 0.23 114.38 119.47 1gqk h ARG 486 Ca 0.23 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 1gqk h ARG 486 Cb 0.30 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1gqk h ARG 486 CO -0.01 0.70 -0.41 0.52 -1.07 0.00 0.00 179.97 179.71 1gqk h MET 487 N 0.57 0.00 0.00 0.04 2.86 -1.11 -3.34 114.93 113.95 1gqk h MET 487 Ca 0.14 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.44 1gqk h MET 487 Cb 0.31 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.91 1gqk h MET 487 CO 0.00 0.41 -2.29 2.41 1.06 0.00 0.00 176.91 178.50 1gqk n THR 488 N -3.38 1.29 0.02 2.22 -1.04 -0.19 -4.23 114.28 108.98 1gqk n THR 488 Ca 0.01 -0.57 -0.01 0.00 -2.04 0.00 0.00 64.05 61.44 1gqk n THR 488 Cb 0.59 -1.12 -0.00 0.00 -1.82 0.00 0.00 70.33 67.98 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 -3.05 0.00 -3.56 -1.42 3.72 0.73 -5.04 117.46 108.84 1gqk n PHE 489 Ca -0.38 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 56.90 1gqk n PHE 489 Cb 0.97 -0.06 -0.05 0.00 -0.94 0.00 0.00 39.48 39.40 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 -5.79 -0.43 0.00 4.37 0.15 -0.64 -4.87 113.70 106.49 1gqk s SER 490 Ca -0.04 0.45 0.23 0.00 0.70 0.00 0.00 55.95 57.29 1gqk s SER 490 Cb 0.00 0.36 0.48 0.00 -1.71 0.00 0.00 66.02 65.15 1gqk s SER 490 CO 0.05 -0.42 1.44 0.59 1.20 0.00 0.00 173.24 176.10 1gqk n ASN 491 N 0.71 3.58 -4.67 5.45 3.02 -1.26 -3.62 115.26 118.47 1gqk n ASN 491 Ca -0.12 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.01 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 -1.39 4.21 0.36 3.52 -1.52 -1.26 -4.90 119.66 118.67 1gqk s GLN 492 Ca 0.41 2.10 0.07 0.00 -1.95 0.00 0.00 55.36 56.00 1gqk s GLN 492 Cb 0.24 -3.84 0.77 0.00 -0.22 0.00 0.00 33.01 29.95 1gqk s GLN 492 CO 0.32 -0.77 1.92 -1.35 -0.25 0.00 0.00 175.29 175.16 1gqk h PRO 493 N 8.93 0.72 0.00 2.91 0.11 -2.00 -1.35 132.00 141.32 1gqk h PRO 493 Ca -0.38 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1gqk h PRO 493 Cb 1.17 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1gqk h PRO 493 CO 0.94 0.47 -0.06 0.00 -0.21 0.00 0.00 178.00 179.15 1gqk h ALA 494 N 1.60 1.06 0.00 -0.75 0.00 -2.01 -2.86 119.26 116.29 1gqk h ALA 494 Ca 0.38 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 1gqk h ALA 494 Cb 0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1gqk h ALA 494 CO -0.15 0.07 -0.59 0.35 0.00 0.00 0.00 179.25 178.94 1gqk h PHE 495 N 0.00 0.00 -0.09 0.00 3.57 -1.69 -3.40 116.94 115.33 1gqk h PHE 495 Ca -0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1gqk h PHE 495 Cb 0.42 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 1gqk h PHE 495 CO 0.00 1.21 -0.18 0.82 -2.23 0.00 0.00 178.31 177.93 1gqk h ILE 496 N -1.00 0.54 0.41 1.41 1.08 -1.07 -2.39 117.51 116.49 1gqk h ILE 496 Ca -0.16 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1gqk h ILE 496 Cb 1.13 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 1gqk h ILE 496 CO -0.10 0.00 -0.47 -0.08 -0.69 0.00 0.00 178.15 176.81 1gqk h GLU 497 N -0.25 -0.88 -0.33 2.37 4.57 -1.74 0.35 114.58 118.67 1gqk h GLU 497 Ca 0.08 0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.24 1gqk h GLU 497 Cb 0.37 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 1gqk h GLU 497 CO -0.23 -0.58 -0.15 -1.00 -1.18 0.00 0.00 179.01 175.86 1gqk h PRO 498 N -0.91 0.59 -0.09 0.92 0.13 -1.77 -1.64 132.00 129.23 1gqk h PRO 498 Ca -0.04 -0.19 -0.20 0.00 -0.87 0.00 0.00 66.00 64.70 1gqk h PRO 498 Cb 0.81 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1gqk h PRO 498 CO -0.10 0.72 -0.76 0.28 -0.23 0.00 0.00 178.00 177.91 1gqk h VAL 499 N 0.53 1.35 -0.11 1.56 2.07 -1.27 -0.82 116.25 119.56 1gqk h VAL 499 Ca 0.09 -2.11 0.02 0.00 0.82 0.00 0.00 66.70 65.52 1gqk h VAL 499 Cb 0.57 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 1gqk h VAL 499 CO 0.04 0.64 -0.00 0.50 0.02 0.00 0.00 177.57 178.77 1gqk h LYS 500 N 0.35 0.04 -0.82 1.57 3.64 -0.08 -1.27 116.57 120.00 1gqk h LYS 500 Ca -0.04 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1gqk h LYS 500 Cb 1.35 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.12 1gqk h LYS 500 CO 0.14 0.02 0.53 1.96 -2.27 0.00 0.00 179.45 179.83 1gqk h GLN 501 N 0.04 1.02 -0.43 1.90 1.08 -1.17 0.77 115.11 118.31 1gqk h GLN 501 Ca 0.05 -0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.25 1gqk h GLN 501 Cb 0.06 -0.23 -0.05 0.00 -0.05 0.00 0.00 27.48 27.21 1gqk h GLN 501 CO -0.09 0.68 0.13 1.98 -0.95 0.00 0.00 178.83 180.58 1gqk h MET 502 N 1.05 0.28 -0.29 1.46 4.05 -0.94 -0.82 114.93 119.73 1gqk h MET 502 Ca 0.32 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.73 1gqk h MET 502 Cb -0.04 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.68 1gqk h MET 502 CO -0.10 0.19 0.16 0.52 0.23 0.00 0.00 176.91 177.91 1gqk h MET 503 N 0.29 0.32 0.00 0.39 2.86 -0.71 -1.95 114.93 116.13 1gqk h MET 503 Ca 0.21 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 1gqk h MET 503 Cb 0.22 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1gqk h MET 503 CO -0.23 0.21 -0.26 -0.07 1.06 0.00 0.00 176.91 177.63 1gqk h LEU 504 N 0.33 0.00 0.00 1.22 3.38 -0.41 -2.66 115.31 117.17 1gqk h LEU 504 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1gqk h LEU 504 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1gqk h LEU 504 CO -0.06 0.26 -0.64 1.62 0.09 0.00 0.00 178.44 179.71 1gqk h VAL 505 N 0.00 0.00 -0.65 1.22 3.04 -0.89 -3.39 116.25 115.58 1gqk h VAL 505 Ca -0.00 -0.98 0.03 0.00 -1.01 0.00 0.00 66.70 64.73 1gqk h VAL 505 Cb 0.48 1.66 -0.04 0.00 -2.01 0.00 0.00 31.29 31.39 1gqk h VAL 505 CO 0.03 0.00 0.43 0.77 -1.01 0.00 0.00 177.57 177.79 1gqk h SER 506 N 0.00 0.68 -0.09 3.17 4.64 -0.98 -0.63 113.55 120.35 1gqk h SER 506 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1gqk h SER 506 Cb 0.99 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1gqk h SER 506 CO 0.00 0.47 0.05 -0.09 -0.87 0.00 0.00 176.83 176.39 1gqk h ARG 507 N 0.79 0.10 -0.45 4.77 1.12 -1.72 -1.95 114.38 117.04 1gqk h ARG 507 Ca 0.26 -0.01 -0.10 0.00 -1.11 0.00 0.00 59.98 59.02 1gqk h ARG 507 Cb 0.04 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 29.96 1gqk h ARG 507 CO -0.07 0.06 -0.11 1.49 -3.11 0.00 0.00 179.97 178.24 1gqk h GLU 508 N 0.10 0.82 -0.54 0.20 4.57 -1.50 -1.42 114.58 116.81 1gqk h GLU 508 Ca 0.03 -0.28 0.07 0.00 -1.18 0.00 0.00 59.36 58.00 1gqk h GLU 508 Cb 0.00 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.47 1gqk h GLU 508 CO -0.02 0.90 0.23 0.00 -1.18 0.00 0.00 179.01 178.93 1gqk h ALA 509 N 1.13 0.69 -0.11 2.92 0.00 -1.04 0.44 119.26 123.28 1gqk h ALA 509 Ca 0.12 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1gqk h ALA 509 Cb 0.60 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1gqk h ALA 509 CO 0.04 -0.15 0.06 0.78 0.00 0.00 0.00 179.25 179.97 1gqk h GLY 510 N 0.44 0.16 0.54 0.00 0.00 -0.49 -1.73 103.07 102.00 1gqk h GLY 510 Ca 0.26 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 1gqk h GLY 510 CO -0.23 0.06 -0.10 -2.08 0.00 0.00 0.00 176.54 174.20 1gqk h VAL 511 N 0.16 1.43 -0.48 4.60 2.07 -0.44 -3.30 116.25 120.29 1gqk h VAL 511 Ca 0.04 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1gqk h VAL 511 Cb 0.01 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1gqk h VAL 511 CO -0.01 0.39 0.28 0.78 0.02 0.00 0.00 177.57 179.03 1gqk h ASN 512 N -0.38 0.58 0.13 0.57 -0.26 -0.18 0.48 115.58 116.54 1gqk h ASN 512 Ca 0.00 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1gqk h ASN 512 Cb 0.68 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 1gqk h ASN 512 CO 0.02 0.48 -0.04 0.00 -1.06 0.00 0.00 177.43 176.83 1gqk n TYR 513 N -4.69 0.00 -0.06 1.19 0.18 -0.72 -3.48 117.16 109.58 1gqk n TYR 513 Ca 0.02 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.67 1gqk n TYR 513 Cb 0.06 -0.07 -0.04 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 -0.64 0.32 -2.71 -3.48 1.74 -0.97 -3.83 116.66 107.08 1gqk n ARG 514 Ca 0.19 0.14 -0.04 0.00 -0.77 0.00 0.00 57.85 57.37 1gqk n ARG 514 Cb 0.24 -1.04 0.03 0.00 -1.02 0.00 0.00 32.46 30.67 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 -3.81 -2.40 -4.44 0.55 3.41 0.12 -4.87 113.62 102.19 1gqk n SER 515 Ca -0.23 -1.96 -0.28 0.00 -0.26 0.00 0.00 58.87 56.14 1gqk n SER 515 Cb 0.57 1.23 0.14 0.00 -0.26 0.00 0.00 64.21 65.90 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 0.88 1.20 -1.64 4.33 0.04 -1.15 -4.14 135.00 134.52 1gqk s PRO 516 Ca 0.27 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1gqk s PRO 516 Cb 0.08 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1gqk s PRO 516 CO -0.09 -1.98 0.00 1.28 0.04 0.00 0.00 177.00 176.25 1gqk n LEU 517 N -3.43 -1.01 0.00 -3.56 4.77 -1.26 -1.17 117.00 111.34 1gqk n LEU 517 Ca 0.13 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1gqk n LEU 517 Cb 0.60 -2.48 0.00 0.00 -2.33 0.00 0.00 43.42 39.21 1gqk n LEU 517 CO 0.47 -0.92 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 1gqk n GLY 518 N -0.63 0.37 3.73 -0.72 0.00 -1.20 -1.34 105.19 105.40 1gqk n GLY 518 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 3.00 -0.02 0.99 1.43 -0.32 -3.53 118.68 120.24 1gqk s LEU 519 Ca 0.00 2.03 -0.28 0.00 -1.03 0.00 0.00 54.13 54.84 1gqk s LEU 519 Cb 0.00 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.77 1gqk s LEU 519 CO 0.00 -2.47 0.85 0.28 0.23 0.00 0.00 176.35 175.25 1gqk s THR 520 N -2.69 0.00 -1.17 5.49 -1.32 -1.26 -4.60 115.64 110.08 1gqk s THR 520 Ca 0.65 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 61.13 1gqk s THR 520 Cb -0.21 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.78 1gqk s THR 520 CO 0.55 0.00 0.98 1.57 -2.21 0.00 0.00 174.62 175.51 1gqk n HIS 521 N 0.03 -2.16 -0.52 9.09 -0.00 -1.26 -4.69 115.22 115.70 1gqk n HIS 521 Ca -0.11 0.92 0.10 0.00 -0.00 0.00 0.00 57.72 58.63 1gqk n HIS 521 Cb 0.61 -5.01 0.32 0.00 -0.00 0.00 0.00 29.99 25.91 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 -4.05 4.26 -4.81 0.27 4.77 -1.26 -4.22 117.00 111.97 1gqk n LEU 522 Ca -0.28 -2.30 -0.32 0.00 -0.03 0.00 0.00 56.01 53.08 1gqk n LEU 522 Cb 0.67 -0.51 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1gqk n LEU 522 CO 0.60 0.85 0.71 -0.31 -1.33 0.00 0.00 177.39 177.91 1gqk s TYR 523 N -1.56 3.06 0.25 -1.77 1.51 -1.26 -0.50 117.35 117.07 1gqk s TYR 523 Ca 0.47 1.49 -0.31 0.00 -1.01 0.00 0.00 57.07 57.70 1gqk s TYR 523 Cb 0.28 -2.96 -0.12 0.00 -0.11 0.00 0.00 41.96 39.05 1gqk s TYR 523 CO 0.25 -1.06 1.58 0.45 -1.11 0.00 0.00 175.55 175.65 1gqk n SER 524 N -2.19 3.56 -4.70 2.29 2.88 0.33 -4.26 113.62 111.53 1gqk n SER 524 Ca 0.08 1.12 -0.35 0.00 -1.33 0.00 0.00 58.87 58.39 1gqk n SER 524 Cb 0.53 -1.54 -0.09 0.00 -0.75 0.00 0.00 64.21 62.36 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 -0.01 3.06 -0.05 -1.46 -1.52 -1.26 -0.76 119.66 117.65 1gqk s GLN 525 Ca 0.69 -0.38 0.18 0.00 -1.95 0.00 0.00 55.36 53.89 1gqk s GLN 525 Cb -0.55 -2.84 0.57 0.00 -0.22 0.00 0.00 33.01 29.97 1gqk s GLN 525 CO 0.44 0.70 1.49 0.41 -0.25 0.00 0.00 175.29 178.08 1gqk n GLY 526 N 2.17 2.77 0.13 3.09 0.00 -1.26 -4.89 105.19 107.20 1gqk n GLY 526 Ca -0.19 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 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 3.45 0.25 -0.27 1.61 2.03 -1.97 -3.48 116.42 118.05 1gqk h ASP 527 Ca 0.00 -0.20 -0.12 0.00 -0.73 0.00 0.00 57.03 55.98 1gqk h ASP 527 Cb 1.10 -0.08 -0.05 0.00 -0.83 0.00 0.00 39.33 39.47 1gqk h ASP 527 CO 0.09 1.00 -0.11 1.41 -1.03 0.00 0.00 179.24 180.60 1gqk n HIS 528 N -3.66 0.00 -0.03 4.15 8.25 0.06 -4.95 115.22 119.04 1gqk n HIS 528 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.33 1gqk n HIS 528 Cb 0.80 -1.49 -0.08 0.00 1.12 0.00 0.00 29.99 30.34 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 -0.06 -0.55 4.41 3.20 -1.83 -3.44 116.97 118.70 1gqk h TYR 529 Ca -0.12 -0.00 -0.62 0.00 3.14 0.00 0.00 58.73 61.13 1gqk h TYR 529 Cb 0.57 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.77 1gqk h TYR 529 CO 0.28 0.51 -0.40 0.20 -1.64 0.00 0.00 178.16 177.11 1gqk s GLY 530 N -3.75 2.63 0.38 1.82 0.00 -1.26 -4.83 107.32 102.31 1gqk s GLY 530 Ca -0.12 -0.96 -0.26 0.00 0.00 0.00 0.00 44.72 43.38 1gqk s GLY 530 CO 0.45 -2.04 1.16 2.56 0.00 0.00 0.00 173.10 175.22 1gqk s PRO 531 N -4.09 4.17 -0.45 2.90 0.04 -1.26 -0.51 135.00 135.79 1gqk s PRO 531 Ca 0.23 1.83 0.07 0.00 0.04 0.00 0.00 61.00 63.16 1gqk s PRO 531 Cb -0.00 -2.76 0.32 0.00 0.04 0.00 0.00 34.50 32.10 1gqk s PRO 531 CO 0.14 -0.21 1.09 0.00 0.04 0.00 0.00 177.00 178.06 1gqk n ALA 532 N 0.27 -0.52 0.34 8.56 0.00 0.34 -4.43 120.51 125.08 1gqk n ALA 532 Ca 0.03 -1.62 0.10 0.00 0.00 0.00 0.00 53.44 51.96 1gqk n ALA 532 Cb 0.46 -1.14 0.45 0.00 0.00 0.00 0.00 19.45 19.23 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 0.33 0.14 0.04 0.00 -0.04 -1.15 -1.70 135.00 132.62 1gqk n PRO 533 Ca 0.07 0.44 0.14 0.00 -0.04 0.00 0.00 63.50 64.11 1gqk n PRO 533 Cb 0.70 -1.81 0.52 0.00 -0.04 0.00 0.00 33.50 32.87 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 -2.08 0.34 -1.72 0.54 2.14 -1.26 -4.22 117.44 111.18 1gqk n TRP 534 Ca 0.01 0.10 -0.59 0.00 2.07 0.00 0.00 57.50 59.09 1gqk n TRP 534 Cb 0.17 -0.65 -0.08 0.00 -0.81 0.00 0.00 31.31 29.94 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 -1.78 0.25 -4.05 -1.67 -1.04 -0.69 -4.76 114.28 100.53 1gqk n THR 535 Ca 0.06 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.05 61.90 1gqk n THR 535 Cb 0.37 -1.08 -0.04 0.00 -1.82 0.00 0.00 70.33 67.77 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 5.07 -0.83 -3.87 8.00 4.64 -1.26 -1.49 116.55 126.80 1gqk n ASP 536 Ca 0.27 -2.52 -0.32 0.00 -1.38 0.00 0.00 54.79 50.84 1gqk n ASP 536 Cb 0.09 1.66 0.01 0.00 -1.04 0.00 0.00 41.12 41.85 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 -1.85 -4.70 -4.75 1.67 8.00 -1.26 -4.99 116.55 108.66 1gqk n ASP 537 Ca 0.03 -1.07 -0.23 0.00 0.71 0.00 0.00 54.79 54.23 1gqk n ASP 537 Cb 0.45 -1.84 -0.06 0.00 -0.02 0.00 0.00 41.12 39.64 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 -5.90 3.22 0.58 0.64 1.43 -1.26 -5.01 118.68 112.37 1gqk s LEU 538 Ca 0.20 -0.88 0.27 0.00 -1.03 0.00 0.00 54.13 52.69 1gqk s LEU 538 Cb -0.11 -1.67 1.61 0.00 0.03 0.00 0.00 46.19 46.06 1gqk s LEU 538 CO 0.92 -0.42 2.10 -0.65 0.23 0.00 0.00 176.35 178.53 1gqk h PRO 539 N 1.45 0.00 -4.30 1.29 0.11 -2.01 -3.38 132.00 125.17 1gqk h PRO 539 Ca -0.43 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.20 1gqk h PRO 539 Cb 1.25 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.02 1gqk h PRO 539 CO 0.65 0.00 -0.80 -0.98 -0.21 0.00 0.00 178.00 176.66 1gqk s ARG 540 N -4.71 1.34 0.42 1.05 1.70 -1.26 -5.02 118.95 112.48 1gqk s ARG 540 Ca -0.05 -0.27 0.13 0.00 -0.47 0.00 0.00 55.73 55.07 1gqk s ARG 540 Cb 0.16 -1.22 0.98 0.00 -0.57 0.00 0.00 34.95 34.30 1gqk s ARG 540 CO 0.58 -0.06 1.97 0.00 -1.08 0.00 0.00 175.30 176.71 1gqk h ALA 541 N 7.24 1.97 0.00 7.88 0.00 -1.91 -1.82 119.26 132.62 1gqk h ALA 541 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1gqk h ALA 541 Cb 1.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1gqk h ALA 541 CO 0.46 -0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.21 1gqk n ASP 542 N -4.47 0.00 -0.00 0.00 5.75 -1.26 -1.44 116.55 115.13 1gqk n ASP 542 Ca 0.10 -0.83 0.10 0.00 -0.01 0.00 0.00 54.79 54.16 1gqk n ASP 542 Cb 0.35 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.35 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 0.01 -2.15 2.11 5.03 -0.68 -5.01 117.44 115.93 1gqk n TRP 543 Ca 0.09 0.00 -0.27 0.00 3.03 0.00 0.00 57.50 60.35 1gqk n TRP 543 Cb 0.04 -0.09 0.14 0.00 -1.03 0.00 0.00 31.31 30.37 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 -3.07 2.08 -0.16 -0.99 -4.23 -0.52 -4.95 115.64 103.81 1gqk s THR 544 Ca 0.06 -0.21 -0.12 0.00 -1.18 0.00 0.00 61.69 60.25 1gqk s THR 544 Cb 0.16 -2.88 -0.23 0.00 1.34 0.00 0.00 72.50 70.89 1gqk s THR 544 CO 0.86 0.00 0.26 0.00 -0.54 0.00 0.00 174.62 175.20 1gqk n ALA 545 N -3.34 0.89 0.22 3.99 0.00 -0.56 -4.41 120.51 117.30 1gqk n ALA 545 Ca 0.13 -0.60 0.09 0.00 0.00 0.00 0.00 53.44 53.07 1gqk n ALA 545 Cb 0.60 -0.58 0.64 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.33 0.97 -1.01 0.00 -1.51 -1.62 -0.20 116.25 112.55 1gqk h VAL 546 Ca -0.42 -0.01 0.14 0.00 -1.23 0.00 0.00 66.70 65.18 1gqk h VAL 546 Cb 1.77 0.95 -0.09 0.00 -2.13 0.00 0.00 31.29 31.79 1gqk h VAL 546 CO -0.04 0.00 0.63 0.22 -1.23 0.00 0.00 177.57 177.15 1gqk h TYR 547 N 0.02 1.13 0.12 5.19 5.03 -1.81 -1.38 116.97 125.27 1gqk h TYR 547 Ca 0.04 0.03 -0.30 0.00 2.58 0.00 0.00 58.73 61.09 1gqk h TYR 547 Cb 0.13 -0.35 -0.00 0.00 1.55 0.00 0.00 36.73 38.05 1gqk h TYR 547 CO -0.00 0.39 -1.52 1.88 -1.32 0.00 0.00 178.16 177.59 1gqk h TYR 548 N 0.93 0.47 0.00 -3.82 0.05 -1.28 -3.40 116.97 109.93 1gqk h TYR 548 Ca 0.52 -0.34 -0.22 0.00 0.05 0.00 0.00 58.73 58.74 1gqk h TYR 548 Cb 0.60 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.29 1gqk h TYR 548 CO -0.00 1.60 -1.30 1.12 -1.05 0.00 0.00 178.16 178.52 1gqk h HIS 549 N -0.23 0.00 -6.40 4.88 2.07 -1.47 -3.39 115.15 110.61 1gqk h HIS 549 Ca -0.33 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 56.70 1gqk h HIS 549 Cb 1.82 0.00 -0.17 0.00 2.57 0.00 0.00 27.41 31.63 1gqk h HIS 549 CO 0.12 0.87 -0.75 0.54 -3.07 0.00 0.00 177.93 175.64 1gqk n ARG 550 N -3.13 -3.33 -2.26 5.12 1.74 -0.53 -0.76 116.66 113.51 1gqk n ARG 550 Ca -0.08 0.40 -0.41 0.00 -0.77 0.00 0.00 57.85 56.99 1gqk n ARG 550 Cb 0.94 -5.13 -0.03 0.00 -1.02 0.00 0.00 32.46 27.22 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 -3.17 3.47 0.24 7.54 0.00 -1.26 -4.47 121.76 124.11 1gqk s ALA 551 Ca 0.66 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.73 1gqk s ALA 551 Cb -0.35 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.33 1gqk s ALA 551 CO 0.81 -0.46 0.28 -1.13 0.00 0.00 0.00 175.76 175.26 1gqk n SER 552 N 1.45 -0.77 0.25 0.00 3.41 0.47 -5.00 113.62 113.43 1gqk n SER 552 Ca 0.01 -2.37 0.09 0.00 -0.26 0.00 0.00 58.87 56.34 1gqk n SER 552 Cb 0.43 1.52 0.63 0.00 -0.26 0.00 0.00 64.21 66.53 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 0.00 0.00 4.33 3.64 -1.88 -3.13 116.57 119.53 1gqk h LYS 553 Ca -0.18 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.01 1gqk h LYS 553 Cb 0.82 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 1gqk h LYS 553 CO 0.25 0.13 -1.81 0.25 -2.27 0.00 0.00 179.45 176.00 1gqk n THR 554 N -4.05 1.00 -3.40 1.00 -2.24 -1.26 -4.83 114.28 100.50 1gqk n THR 554 Ca -0.02 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1gqk n THR 554 Cb 0.22 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 1.47 0.93 3.38 3.38 0.00 -1.18 -2.11 105.19 111.05 1gqk n GLY 555 Ca -0.15 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.23 0.03 0.00 -0.61 2.07 -0.49 -0.39 121.20 119.58 1gqk s ILE 556 Ca 0.00 -0.28 0.00 0.00 -1.41 0.00 0.00 60.65 58.96 1gqk s ILE 556 Cb 0.00 -0.91 0.00 0.00 0.13 0.00 0.00 42.46 41.68 1gqk s ILE 556 CO 0.00 -0.15 0.00 0.61 -1.91 0.00 0.00 174.94 173.49 1gqk n GLY 557 N 0.69 2.64 3.11 1.50 0.00 0.06 -0.61 105.19 112.58 1gqk n GLY 557 Ca -0.19 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.40 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 -2.21 2.84 -0.42 1.61 2.19 -0.97 -4.35 117.98 116.67 1gqk s PHE 558 Ca 0.00 -1.75 -0.29 0.00 0.33 0.00 0.00 56.93 55.23 1gqk s PHE 558 Cb 0.00 -1.92 0.01 0.00 -1.31 0.00 0.00 43.02 39.80 1gqk s PHE 558 CO 0.00 -0.82 1.48 1.21 1.83 0.00 0.00 175.22 178.93 1gqk s ASN 559 N 1.26 6.22 -0.04 6.13 3.84 -1.26 -2.16 114.94 128.94 1gqk s ASN 559 Ca 0.03 0.83 0.08 0.00 0.21 0.00 0.00 52.86 54.01 1gqk s ASN 559 Cb -0.14 -2.54 0.18 0.00 -0.55 0.00 0.00 41.25 38.20 1gqk s ASN 559 CO -0.12 -1.53 1.13 0.54 -2.79 0.00 0.00 177.10 174.33 1gqk n ARG 560 N 8.22 2.66 -1.20 0.43 1.74 0.16 -1.74 116.66 126.93 1gqk n ARG 560 Ca 0.17 -1.95 -0.17 0.00 -0.77 0.00 0.00 57.85 55.13 1gqk n ARG 560 Cb 0.48 -1.23 0.11 0.00 -1.02 0.00 0.00 32.46 30.80 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 -0.42 0.00 -0.03 0.55 -2.24 -1.23 -1.95 114.28 108.96 1gqk n THR 561 Ca 0.08 -0.62 0.22 0.00 -2.27 0.00 0.00 64.05 61.46 1gqk n THR 561 Cb 0.42 -1.62 0.70 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.00 -0.78 1.57 -1.95 0.36 116.57 115.77 1gqk h LYS 562 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1gqk h LYS 562 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1gqk h LYS 562 CO 0.18 0.00 -0.17 0.25 -0.57 0.00 0.00 179.45 179.14 1gqk n THR 563 N -4.32 0.00 0.00 -0.16 -2.24 -1.26 -4.71 114.28 101.59 1gqk n THR 563 Ca 0.11 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1gqk n THR 563 Cb 0.68 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.41 1.61 0.05 3.38 0.00 -0.02 -4.98 105.19 106.63 1gqk n GLY 564 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 0.42 -3.25 1.61 3.41 -0.71 -4.87 113.62 110.23 1gqk n SER 565 Ca 0.00 0.46 -0.23 0.00 -0.26 0.00 0.00 58.87 58.84 1gqk n SER 565 Cb 0.00 -0.54 0.03 0.00 -0.26 0.00 0.00 64.21 63.44 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 -1.86 -5.54 0.25 4.04 5.15 -0.37 -4.86 115.26 112.08 1gqk n ASN 566 Ca 0.06 -0.38 0.11 0.00 -0.60 0.00 0.00 54.58 53.77 1gqk n ASN 566 Cb 0.38 -4.47 0.65 0.00 -0.53 0.00 0.00 39.78 35.82 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 1.29 0.00 5.20 0.00 -1.64 -2.62 119.26 122.48 1gqk h ALA 567 Ca -0.52 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1gqk h ALA 567 Cb 1.35 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1gqk h ALA 567 CO 0.57 0.20 -0.00 -0.07 0.00 0.00 0.00 179.25 179.94 1gqk h LEU 568 N 0.00 0.00 0.00 0.00 3.38 -1.75 -0.76 115.31 116.17 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 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 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 -2.44 1.67 0.85 1.53 0.00 -0.99 -1.66 120.51 119.47 1gqk n ALA 569 Ca -0.03 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1gqk n ALA 569 Cb 0.09 -1.23 0.45 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.46 0.11 -3.63 0.00 6.02 -0.29 -4.85 117.38 113.27 1gqk n GLN 570 Ca 0.04 0.07 -0.24 0.00 -0.01 0.00 0.00 57.00 56.86 1gqk n GLN 570 Cb 0.15 -1.61 -0.02 0.00 1.02 0.00 0.00 30.24 29.79 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 -3.05 3.48 0.55 1.08 2.02 -0.66 -4.86 117.35 115.91 1gqk s TYR 571 Ca 0.12 0.24 -0.21 0.00 -0.37 0.00 0.00 57.07 56.85 1gqk s TYR 571 Cb 0.16 -1.79 -0.06 0.00 -0.40 0.00 0.00 41.96 39.88 1gqk s TYR 571 CO 0.60 0.28 1.14 -2.30 -1.57 0.00 0.00 175.55 173.70 1gqk n PRO 572 N -1.39 1.30 -0.29 -1.71 -0.02 -1.26 -4.60 135.00 127.02 1gqk n PRO 572 Ca -0.06 0.48 0.03 0.00 -2.02 0.00 0.00 63.50 61.94 1gqk n PRO 572 Cb 0.56 -2.31 0.11 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.06 0.01 -0.34 -0.52 4.22 -1.92 -0.02 114.58 117.05 1gqk h GLU 573 Ca -0.49 -0.00 0.01 0.00 0.08 0.00 0.00 59.36 58.96 1gqk h GLU 573 Cb 1.33 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 1gqk h GLU 573 CO 0.54 0.00 0.23 -1.35 -2.18 0.00 0.00 179.01 176.26 1gqk h PRO 574 N 0.01 0.44 -0.06 0.92 0.11 -1.92 0.47 132.00 131.97 1gqk h PRO 574 Ca 0.40 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.40 1gqk h PRO 574 Cb 0.62 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1gqk h PRO 574 CO -0.83 0.29 -0.27 0.82 -0.21 0.00 0.00 178.00 177.79 1gqk h ILE 575 N 0.45 1.44 -0.96 4.15 1.08 -1.35 -1.96 117.51 120.36 1gqk h ILE 575 Ca 0.13 -1.69 0.05 0.00 -0.39 0.00 0.00 64.86 62.96 1gqk h ILE 575 Cb -0.03 2.35 -0.06 0.00 -3.07 0.00 0.00 36.82 36.00 1gqk h ILE 575 CO -0.03 0.48 0.63 0.00 -0.69 0.00 0.00 178.15 178.54 1gqk h ALA 576 N 0.42 1.42 0.16 1.87 0.00 -0.67 -0.98 119.26 121.49 1gqk h ALA 576 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1gqk h ALA 576 Cb 0.92 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1gqk h ALA 576 CO 0.06 0.45 -0.08 -0.22 0.00 0.00 0.00 179.25 179.46 1gqk h LYS 577 N 1.15 -0.21 -0.82 0.00 3.64 -0.95 -0.66 116.57 118.73 1gqk h LYS 577 Ca 0.40 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.83 1gqk h LYS 577 Cb 0.11 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 1gqk h LYS 577 CO -0.14 0.12 0.52 0.00 -2.27 0.00 0.00 179.45 177.68 1gqk h ALA 578 N 0.20 1.08 0.00 5.00 0.00 -1.07 -2.78 119.26 121.68 1gqk h ALA 578 Ca -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1gqk h ALA 578 Cb 0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1gqk h ALA 578 CO 0.04 0.35 -0.64 -1.49 0.00 0.00 0.00 179.25 177.50 1gqk h TRP 579 N 1.02 0.00 0.00 0.00 6.55 -1.21 -1.97 115.95 120.34 1gqk h TRP 579 Ca 0.33 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.17 1gqk h TRP 579 Cb 0.01 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.31 1gqk h TRP 579 CO -0.03 0.14 -0.43 0.41 -1.05 0.00 0.00 178.44 177.48 1gqk n GLY 580 N 1.19 -1.42 3.61 1.49 0.00 -0.26 -4.63 105.19 105.18 1gqk n GLY 580 Ca 0.00 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.76 5.92 0.59 1.61 -1.08 -1.07 -4.97 116.67 113.91 1gqk s ASP 581 Ca 0.09 0.04 0.33 0.00 -0.52 0.00 0.00 52.55 52.49 1gqk s ASP 581 Cb 0.15 -2.07 1.86 0.00 -1.46 0.00 0.00 42.92 41.40 1gqk s ASP 581 CO 0.67 0.04 2.24 -0.07 0.52 0.00 0.00 175.17 178.57 1gqk h LEU 582 N 7.72 0.00 -0.73 -1.34 3.38 -1.87 0.34 115.31 122.81 1gqk h LEU 582 Ca -0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1gqk h LEU 582 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1gqk h LEU 582 CO 0.63 0.03 -0.02 -1.13 0.09 0.00 0.00 178.44 178.03 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 0.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.14 1gqk h ASN 583 CO 0.00 0.02 -0.42 -1.54 -1.29 0.00 0.00 177.43 174.21 1gqk n SER 584 N -3.11 2.09 -4.72 1.15 3.41 -0.14 -5.03 113.62 107.27 1gqk n SER 584 Ca 0.02 -0.23 -0.42 0.00 -0.26 0.00 0.00 58.87 57.98 1gqk n SER 584 Cb 0.43 0.88 -0.03 0.00 -0.26 0.00 0.00 64.21 65.22 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 -1.29 2.45 0.31 -3.33 0.11 -0.08 -4.79 120.40 113.78 1gqk s VAL 585 Ca 0.00 0.33 -0.29 0.00 -2.93 0.00 0.00 61.98 59.08 1gqk s VAL 585 Cb 0.00 -3.21 -0.11 0.00 -1.53 0.00 0.00 36.38 31.53 1gqk s VAL 585 CO 0.00 0.03 1.53 -2.84 -3.33 0.00 0.00 175.10 170.49 1gqk s PRO 586 N 0.98 4.15 0.45 1.54 0.02 -1.26 -4.89 135.00 135.99 1gqk s PRO 586 Ca 0.70 2.51 0.14 0.00 0.02 0.00 0.00 61.00 64.38 1gqk s PRO 586 Cb -0.45 -3.03 1.01 0.00 0.02 0.00 0.00 34.50 32.05 1gqk s PRO 586 CO 0.33 -0.55 2.00 0.93 -0.33 0.00 0.00 177.00 179.38 1gqk h GLU 587 N 4.33 0.02 0.00 5.54 5.08 -1.96 -1.45 114.58 126.15 1gqk h GLU 587 Ca -0.48 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1gqk h GLU 587 Cb 1.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1gqk h GLU 587 CO 0.75 0.18 0.00 -0.40 -1.00 0.00 0.00 179.01 178.54 1gqk n ASP 588 N -4.34 0.00 0.00 1.42 5.68 -1.26 -2.57 116.55 115.48 1gqk n ASP 588 Ca -0.02 -0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.02 1gqk n ASP 588 Cb 0.23 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 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 -1.16 0.59 -0.22 -2.12 4.77 -0.62 -3.21 117.00 115.03 1gqk n LEU 589 Ca 0.11 -0.70 0.03 0.00 -0.03 0.00 0.00 56.01 55.42 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 0.12 0.15 0.92 -0.29 -1.33 0.00 0.00 177.39 176.96 1gqk h ILE 590 N 0.14 0.58 0.00 -0.08 2.10 -1.09 -0.72 117.51 118.43 1gqk h ILE 590 Ca 0.00 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.85 1gqk h ILE 590 Cb 0.07 0.29 0.00 0.00 -1.09 0.00 0.00 36.82 36.09 1gqk h ILE 590 CO 0.00 0.05 0.00 0.18 -1.08 0.00 0.00 178.15 177.30 1gqk n LEU 591 N -5.14 0.00 0.18 2.19 4.77 -0.45 -1.75 117.00 116.80 1gqk n LEU 591 Ca 0.11 0.15 0.03 0.00 -0.03 0.00 0.00 56.01 56.28 1gqk n LEU 591 Cb 0.39 -0.15 0.34 0.00 -2.33 0.00 0.00 43.42 41.67 1gqk n LEU 591 CO 0.15 -0.01 0.68 -0.50 -1.33 0.00 0.00 177.39 176.38 1gqk h TRP 592 N 0.00 0.00 0.00 -1.77 4.06 -1.17 -2.57 115.95 114.50 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 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1gqk h TRP 592 CO 0.00 0.40 -0.53 1.19 -3.56 0.00 0.00 178.44 175.94 1gqk n PHE 593 N -3.83 0.00 -4.48 0.49 3.72 -0.79 -4.48 117.46 108.09 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 0.47 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.85 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 -1.41 1.12 -0.30 1.38 3.76 -0.72 -0.66 115.29 118.45 1gqk s HIS 594 Ca 0.00 -0.30 -0.15 0.00 -0.15 0.00 0.00 55.06 54.45 1gqk s HIS 594 Cb 0.00 -0.79 -0.02 0.00 1.11 0.00 0.00 32.58 32.87 1gqk s HIS 594 CO 0.00 -0.13 0.38 -1.58 -0.85 0.00 0.00 174.74 172.56 1gqk s HIS 595 N 0.24 3.22 0.06 1.40 2.46 -1.26 -3.18 115.29 118.23 1gqk s HIS 595 Ca -0.05 0.23 0.08 0.00 0.47 0.00 0.00 55.06 55.79 1gqk s HIS 595 Cb -0.10 -2.65 -0.03 0.00 -0.13 0.00 0.00 32.58 29.67 1gqk s HIS 595 CO 0.01 -0.34 -0.22 -0.51 -2.47 0.00 0.00 174.74 171.21 1gqk s LEU 596 N 2.09 2.19 0.62 8.88 1.43 0.22 -4.92 118.68 129.19 1gqk s LEU 596 Ca 0.14 -0.57 -0.18 0.00 -1.03 0.00 0.00 54.13 52.50 1gqk s LEU 596 Cb -0.16 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 1gqk s LEU 596 CO 0.11 0.17 1.18 -0.94 0.23 0.00 0.00 176.35 177.10 1gqk s SER 597 N -1.33 5.08 0.65 2.29 1.04 -1.26 -1.40 113.70 118.77 1gqk s SER 597 Ca 0.09 2.28 0.43 0.00 0.48 0.00 0.00 55.95 59.23 1gqk s SER 597 Cb -0.09 -2.59 2.26 0.00 0.10 0.00 0.00 66.02 65.70 1gqk s SER 597 CO 0.02 -1.66 2.31 -0.50 0.98 0.00 0.00 173.24 174.39 1gqk h TRP 598 N 0.57 0.00 -0.01 5.02 4.06 -1.77 -2.22 115.95 121.60 1gqk h TRP 598 Ca -0.49 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.46 1gqk h TRP 598 Cb 1.28 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.44 1gqk h TRP 598 CO 0.49 0.00 -0.21 -0.25 -3.56 0.00 0.00 178.44 174.91 1gqk n ASP 599 N -3.10 0.95 -4.68 -3.49 8.00 -1.26 -2.07 116.55 110.91 1gqk n ASP 599 Ca -0.02 -0.87 -0.45 0.00 0.71 0.00 0.00 54.79 54.16 1gqk n ASP 599 Cb 0.11 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 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 -0.65 2.24 -3.35 1.24 -0.00 -0.84 -4.68 115.22 109.18 1gqk n HIS 600 Ca 0.13 0.40 -0.38 0.00 -0.00 0.00 0.00 57.72 57.87 1gqk n HIS 600 Cb 0.34 -2.48 -0.06 0.00 -0.00 0.00 0.00 29.99 27.78 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 -0.25 4.30 0.70 1.57 0.52 -1.26 -0.82 118.95 123.70 1gqk s ARG 601 Ca 0.69 0.37 -0.06 0.00 -0.52 0.00 0.00 55.73 56.21 1gqk s ARG 601 Cb -0.64 -3.45 0.06 0.00 0.52 0.00 0.00 34.95 31.44 1gqk s ARG 601 CO 0.48 0.13 1.00 -1.64 0.02 0.00 0.00 175.30 175.29 1gqk s MET 602 N 0.74 2.19 0.42 3.54 -1.94 0.68 -4.93 119.30 119.99 1gqk s MET 602 Ca 0.24 -0.31 0.15 0.00 -1.71 0.00 0.00 55.69 54.05 1gqk s MET 602 Cb -0.15 -2.19 1.02 0.00 2.01 0.00 0.00 34.83 35.52 1gqk s MET 602 CO 0.09 -1.22 1.92 1.96 -0.01 0.00 0.00 175.02 177.76 1gqk h GLN 603 N -0.56 0.43 0.00 2.03 4.20 -1.98 -0.29 115.11 118.94 1gqk h GLN 603 Ca -0.44 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1gqk h GLN 603 Cb 1.31 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1gqk h GLN 603 CO 0.59 0.29 0.00 0.66 -0.67 0.00 0.00 178.83 179.70 1gqk h SER 604 N 0.45 0.00 0.00 1.46 4.64 -2.01 -3.46 113.55 114.62 1gqk h SER 604 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1gqk h SER 604 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1gqk h SER 604 CO -0.12 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.45 1gqk n GLY 605 N 0.00 2.04 3.81 -0.77 0.00 -0.12 -5.07 105.19 105.08 1gqk n GLY 605 Ca 0.01 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 -0.15 3.85 0.98 1.61 0.52 -1.26 -4.74 118.95 119.75 1gqk s ARG 606 Ca 0.00 1.27 -0.14 0.00 -0.52 0.00 0.00 55.73 56.34 1gqk s ARG 606 Cb 0.00 -2.11 0.18 0.00 0.52 0.00 0.00 34.95 33.54 1gqk s ARG 606 CO 0.00 -0.38 1.16 0.54 0.02 0.00 0.00 175.30 176.64 1gqk s ASN 607 N -2.18 2.87 0.23 0.23 2.20 -1.26 -0.23 114.94 116.81 1gqk s ASN 607 Ca 0.65 0.77 -0.07 0.00 -0.94 0.00 0.00 52.86 53.28 1gqk s ASN 607 Cb -0.14 -1.19 0.21 0.00 -2.00 0.00 0.00 41.25 38.13 1gqk s ASN 607 CO 0.21 -2.93 1.87 0.25 -2.94 0.00 0.00 177.10 173.57 1gqk h LEU 608 N -1.76 1.11 -0.22 3.54 5.85 -0.39 0.21 115.31 123.65 1gqk h LEU 608 Ca -0.48 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.16 1gqk h LEU 608 Cb 1.31 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1gqk h LEU 608 CO 0.52 0.86 0.13 -0.25 -0.34 0.00 0.00 178.44 179.36 1gqk h TRP 609 N 1.26 0.25 -0.84 1.25 2.91 -1.83 -0.96 115.95 117.97 1gqk h TRP 609 Ca 0.32 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.33 1gqk h TRP 609 Cb -0.03 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 28.50 1gqk h TRP 609 CO 0.00 0.15 0.43 1.96 -1.03 0.00 0.00 178.44 179.95 1gqk h GLN 610 N 0.27 1.20 -0.38 2.65 4.20 -1.72 -1.36 115.11 119.97 1gqk h GLN 610 Ca 0.08 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 1gqk h GLN 610 Cb -0.01 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 1gqk h GLN 610 CO -0.03 0.91 -0.09 1.49 -0.67 0.00 0.00 178.83 180.43 1gqk h GLU 611 N 1.19 0.73 -0.10 1.46 4.57 -0.77 0.15 114.58 121.82 1gqk h GLU 611 Ca 0.29 -0.28 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1gqk h GLU 611 Cb 0.08 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1gqk h GLU 611 CO -0.04 0.88 -0.10 1.25 -1.18 0.00 0.00 179.01 179.81 1gqk h LEU 612 N 0.53 -0.32 -0.58 1.64 6.46 -0.81 -0.13 115.31 122.12 1gqk h LEU 612 Ca 0.10 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1gqk h LEU 612 Cb 0.61 0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.65 1gqk h LEU 612 CO 0.04 -0.14 0.35 0.58 -0.62 0.00 0.00 178.44 178.65 1gqk h VAL 613 N -0.13 1.07 -0.53 1.05 2.07 -1.11 -2.65 116.25 116.03 1gqk h VAL 613 Ca 0.07 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1gqk h VAL 613 Cb 0.23 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1gqk h VAL 613 CO -0.18 0.13 0.34 -0.74 0.02 0.00 0.00 177.57 177.14 1gqk h HIS 614 N 0.70 0.63 -0.39 1.57 -0.00 -0.33 -1.88 115.15 115.46 1gqk h HIS 614 Ca 0.23 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.58 1gqk h HIS 614 Cb 0.01 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.19 1gqk h HIS 614 CO -0.06 0.38 0.11 0.87 -0.00 0.00 0.00 177.93 179.24 1gqk h LYS 615 N 0.68 0.61 -0.68 5.26 1.79 -0.87 0.64 116.57 124.00 1gqk h LYS 615 Ca 0.20 -0.14 0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1gqk h LYS 615 Cb -0.04 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.49 1gqk h LYS 615 CO -0.06 0.63 0.45 1.88 -1.08 0.00 0.00 179.45 181.26 1gqk h TYR 616 N 0.48 0.85 -0.18 -1.35 -1.99 -1.30 -1.01 116.97 112.47 1gqk h TYR 616 Ca 0.12 0.02 -0.13 0.00 2.00 0.00 0.00 58.73 60.75 1gqk h TYR 616 Cb 0.28 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 1gqk h TYR 616 CO 0.01 0.53 -0.43 1.88 -0.00 0.00 0.00 178.16 180.15 1gqk h TYR 617 N 0.91 0.52 -0.58 4.88 0.05 -1.24 -3.08 116.97 118.42 1gqk h TYR 617 Ca 0.25 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1gqk h TYR 617 Cb -0.09 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 1gqk h TYR 617 CO -0.03 0.79 0.32 0.37 -1.05 0.00 0.00 178.16 178.56 1gqk h GLN 618 N 0.36 0.82 -0.37 4.88 4.15 -0.16 -1.72 115.11 123.06 1gqk h GLN 618 Ca 0.03 -0.10 0.07 0.00 0.77 0.00 0.00 58.65 59.42 1gqk h GLN 618 Cb 0.90 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 28.37 1gqk h GLN 618 CO 0.08 0.63 -0.04 0.78 -1.93 0.00 0.00 178.83 178.35 1gqk h GLY 619 N 0.79 0.33 1.02 2.39 0.00 -1.12 0.25 103.07 106.72 1gqk h GLY 619 Ca 0.21 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 1gqk h GLY 619 CO -0.03 -0.11 0.44 -2.08 0.00 0.00 0.00 176.54 174.76 1gqk h VAL 620 N 0.06 1.24 -0.44 4.60 2.07 -1.48 -1.86 116.25 120.45 1gqk h VAL 620 Ca 0.18 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1gqk h VAL 620 Cb 0.26 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1gqk h VAL 620 CO -0.33 0.28 0.04 -0.33 0.02 0.00 0.00 177.57 177.25 1gqk h GLU 621 N 1.14 0.69 -0.72 1.57 4.39 -0.39 -1.14 114.58 120.12 1gqk h GLU 621 Ca 0.29 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 1gqk h GLU 621 Cb 0.04 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1gqk h GLU 621 CO -0.04 0.68 0.24 1.96 -1.16 0.00 0.00 179.01 180.68 1gqk h GLN 622 N 0.66 1.11 -0.62 2.33 4.20 0.07 -0.48 115.11 122.39 1gqk h GLN 622 Ca 0.14 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1gqk h GLN 622 Cb 0.35 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1gqk h GLN 622 CO 0.01 0.95 0.10 0.28 -0.67 0.00 0.00 178.83 179.49 1gqk h VAL 623 N 1.06 1.26 -0.41 -0.54 2.07 -0.96 -0.44 116.25 118.29 1gqk h VAL 623 Ca 0.23 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1gqk h VAL 623 Cb 0.29 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1gqk h VAL 623 CO -0.01 0.38 0.06 0.03 0.02 0.00 0.00 177.57 178.05 1gqk h ARG 624 N 0.95 0.63 -0.13 1.57 3.08 -0.85 -0.57 114.38 119.05 1gqk h ARG 624 Ca 0.19 -0.12 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 1gqk h ARG 624 Cb 0.44 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1gqk h ARG 624 CO 0.01 0.60 -0.60 0.00 -1.07 0.00 0.00 179.97 178.92 1gqk h ALA 625 N 1.47 0.72 -0.61 0.04 0.00 -0.79 -2.43 119.26 117.66 1gqk h ALA 625 Ca 0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1gqk h ALA 625 Cb 0.29 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1gqk h ALA 625 CO 0.00 0.71 0.35 0.52 0.00 0.00 0.00 179.25 180.83 1gqk h MET 626 N 0.33 0.84 -0.22 0.00 2.86 -0.30 -0.51 114.93 117.92 1gqk h MET 626 Ca -0.00 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1gqk h MET 626 Cb 1.14 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.59 1gqk h MET 626 CO 0.10 0.63 -0.04 1.96 1.06 0.00 0.00 176.91 180.62 1gqk h GLN 627 N 0.82 0.02 -0.41 1.72 4.20 -0.99 -0.33 115.11 120.13 1gqk h GLN 627 Ca 0.22 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1gqk h GLN 627 Cb 0.02 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1gqk h GLN 627 CO -0.04 0.01 0.23 0.00 -0.67 0.00 0.00 178.83 178.37 1gqk h ARG 628 N 0.02 0.57 -0.48 1.46 3.08 -1.12 -0.89 114.38 117.02 1gqk h ARG 628 Ca 0.11 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.14 1gqk h ARG 628 Cb 0.15 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 1gqk h ARG 628 CO -0.21 0.45 0.20 1.15 -1.07 0.00 0.00 179.97 180.49 1gqk h THR 629 N 0.54 0.90 -0.47 2.04 2.02 -0.88 -2.82 112.91 114.25 1gqk h THR 629 Ca 0.15 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 1gqk h THR 629 Cb 0.04 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1gqk h THR 629 CO -0.02 0.07 0.10 -0.25 0.37 0.00 0.00 175.52 175.79 1gqk h TRP 630 N 0.41 0.79 -0.73 3.16 2.91 -0.68 -2.32 115.95 119.50 1gqk h TRP 630 Ca 0.22 -0.10 0.16 0.00 1.13 0.00 0.00 58.89 60.30 1gqk h TRP 630 Cb 0.18 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 28.56 1gqk h TRP 630 CO -0.13 0.73 0.49 -0.44 -1.03 0.00 0.00 178.44 178.06 1gqk h ASP 631 N 0.63 0.28 0.26 2.65 3.32 -0.99 -0.45 116.42 122.12 1gqk h ASP 631 Ca 0.14 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1gqk h ASP 631 Cb 0.35 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1gqk h ASP 631 CO 0.00 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.66 1gqk n GLN 632 N -4.45 0.53 -0.25 3.56 6.02 -0.87 -3.44 117.38 118.48 1gqk n GLN 632 Ca 0.14 0.03 0.09 0.00 -0.01 0.00 0.00 57.00 57.26 1gqk n GLN 632 Cb 0.59 -1.50 0.23 0.00 1.02 0.00 0.00 30.24 30.58 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 -1.17 2.62 -0.17 -1.09 1.13 -0.18 -4.65 117.38 113.87 1gqk n GLN 633 Ca 0.15 -2.29 0.20 0.00 -1.94 0.00 0.00 57.00 53.11 1gqk n GLN 633 Cb 0.15 -1.43 0.57 0.00 0.11 0.00 0.00 30.24 29.64 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 3.37 0.27 0.00 -1.09 4.81 -1.69 -0.89 114.58 119.36 1gqk h GLU 634 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1gqk h GLU 634 Cb 0.86 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1gqk h GLU 634 CO 0.00 0.18 0.00 0.00 -0.73 0.00 0.00 179.01 178.46 1gqk h ALA 635 N 1.63 1.00 0.00 2.92 0.00 -1.91 -3.29 119.26 119.61 1gqk h ALA 635 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1gqk h ALA 635 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1gqk h ALA 635 CO -0.10 0.00 -1.23 0.66 0.00 0.00 0.00 179.25 178.57 1gqk n TYR 636 N -2.70 0.00 -4.37 0.00 4.01 -0.34 -4.98 117.16 108.78 1gqk n TYR 636 Ca 0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.46 1gqk n TYR 636 Cb 0.28 -0.18 -0.12 0.00 -0.31 0.00 0.00 39.34 39.01 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 -2.84 2.67 0.63 -0.72 1.01 -1.20 -4.73 120.40 115.22 1gqk s VAL 637 Ca 0.01 -1.54 -0.18 0.00 0.00 0.00 0.00 61.98 60.26 1gqk s VAL 637 Cb 0.12 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1gqk s VAL 637 CO 0.69 0.12 1.28 1.51 0.00 0.00 0.00 175.10 178.70 1gqk s ASP 638 N -2.04 4.77 0.29 3.32 -4.77 -1.26 -4.83 116.67 112.16 1gqk s ASP 638 Ca 0.16 2.58 0.01 0.00 -3.30 0.00 0.00 52.55 52.01 1gqk s ASP 638 Cb -0.10 -2.62 0.55 0.00 -1.09 0.00 0.00 42.92 39.66 1gqk s ASP 638 CO 0.08 -1.89 1.87 0.00 0.70 0.00 0.00 175.17 175.94 1gqk h ALA 639 N 0.67 1.53 0.17 2.11 0.00 -1.98 -1.90 119.26 119.86 1gqk h ALA 639 Ca -0.51 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1gqk h ALA 639 Cb 1.33 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1gqk h ALA 639 CO 0.54 0.27 -0.08 0.00 0.00 0.00 0.00 179.25 179.98 1gqk h ALA 640 N 1.52 -0.22 -0.40 0.00 0.00 -1.91 -1.47 119.26 116.77 1gqk h ALA 640 Ca 0.45 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1gqk h ALA 640 Cb 0.37 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1gqk h ALA 640 CO -0.21 -0.40 -0.02 0.00 0.00 0.00 0.00 179.25 178.63 1gqk h ARG 641 N -0.68 0.66 0.13 0.00 3.08 -1.78 -1.41 114.38 114.37 1gqk h ARG 641 Ca -0.02 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.87 1gqk h ARG 641 Cb 0.49 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1gqk h ARG 641 CO 0.04 0.69 -0.16 0.35 -1.07 0.00 0.00 179.97 179.82 1gqk h PHE 642 N 0.62 -0.41 -0.97 3.04 3.57 -1.29 -0.58 116.94 120.92 1gqk h PHE 642 Ca 0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1gqk h PHE 642 Cb 0.42 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 1gqk h PHE 642 CO 0.02 -0.24 0.61 0.00 -2.23 0.00 0.00 178.31 176.47 1gqk h ALA 643 N 0.50 1.24 0.11 2.41 0.00 -0.92 -0.99 119.26 121.61 1gqk h ALA 643 Ca 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1gqk h ALA 643 Cb 0.33 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1gqk h ALA 643 CO -0.06 0.67 -0.05 0.37 0.00 0.00 0.00 179.25 180.17 1gqk h GLN 644 N 1.33 -0.15 -0.42 0.00 4.15 -0.96 -1.08 115.11 117.99 1gqk h GLN 644 Ca 0.35 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.70 1gqk h GLN 644 Cb -0.10 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1gqk h GLN 644 CO -0.07 0.07 -0.06 0.28 -1.93 0.00 0.00 178.83 177.12 1gqk h VAL 645 N -0.35 1.24 -0.13 2.39 2.07 -0.97 -1.05 116.25 119.46 1gqk h VAL 645 Ca -0.02 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1gqk h VAL 645 Cb 0.28 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1gqk h VAL 645 CO 0.03 0.36 0.08 0.50 0.02 0.00 0.00 177.57 178.56 1gqk h LYS 646 N 0.67 0.18 -0.54 1.57 3.64 -1.09 -1.07 116.57 119.93 1gqk h LYS 646 Ca 0.12 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1gqk h LYS 646 Cb 0.50 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1gqk h LYS 646 CO 0.03 0.15 0.15 0.00 -2.27 0.00 0.00 179.45 177.50 1gqk h ALA 647 N 1.02 0.71 -0.87 5.00 0.00 -0.93 -2.64 119.26 121.55 1gqk h ALA 647 Ca 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1gqk h ALA 647 Cb 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1gqk h ALA 647 CO -0.01 0.39 0.51 -0.07 0.00 0.00 0.00 179.25 180.07 1gqk h LEU 648 N 0.75 1.05 -1.43 0.00 3.38 -1.04 -1.92 115.31 116.10 1gqk h LEU 648 Ca 0.17 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1gqk h LEU 648 Cb 0.31 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1gqk h LEU 648 CO -0.00 0.82 0.40 -0.07 0.09 0.00 0.00 178.44 179.68 1gqk h LEU 649 N 1.19 0.66 -0.57 1.67 3.38 -1.07 0.57 115.31 121.14 1gqk h LEU 649 Ca 0.31 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 1gqk h LEU 649 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1gqk h LEU 649 CO -0.06 0.46 0.18 1.56 0.09 0.00 0.00 178.44 180.68 1gqk h GLN 650 N 0.77 0.88 -0.45 1.13 4.20 -1.00 0.42 115.11 121.06 1gqk h GLN 650 Ca 0.23 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1gqk h GLN 650 Cb -0.01 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1gqk h GLN 650 CO -0.06 0.80 0.19 0.28 -0.67 0.00 0.00 178.83 179.37 1gqk h VAL 651 N 0.80 1.20 -0.59 -0.54 2.07 -0.72 -2.07 116.25 116.39 1gqk h VAL 651 Ca 0.18 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1gqk h VAL 651 Cb 0.28 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1gqk h VAL 651 CO -0.01 0.23 0.38 -0.61 0.02 0.00 0.00 177.57 177.58 1gqk h GLN 652 N 0.58 0.74 -0.79 1.57 4.15 -0.76 0.97 115.11 121.56 1gqk h GLN 652 Ca 0.15 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.53 1gqk h GLN 652 Cb 0.18 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 1gqk h GLN 652 CO -0.01 0.49 0.52 1.49 -1.93 0.00 0.00 178.83 179.38 1gqk h GLU 653 N 0.76 1.04 -0.52 1.69 4.22 -0.64 0.41 114.58 121.54 1gqk h GLU 653 Ca 0.23 -0.07 -0.10 0.00 0.08 0.00 0.00 59.36 59.50 1gqk h GLU 653 Cb -0.04 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 1gqk h GLU 653 CO -0.07 0.69 -0.07 -0.09 -2.18 0.00 0.00 179.01 177.29 1gqk h ARG 654 N 1.07 0.94 -0.01 1.92 2.43 -0.64 -1.34 114.38 118.75 1gqk h ARG 654 Ca 0.29 -0.31 -0.21 0.00 -0.81 0.00 0.00 59.98 58.93 1gqk h ARG 654 Cb -0.11 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1gqk h ARG 654 CO -0.06 0.97 -0.90 0.93 -1.51 0.00 0.00 179.97 179.40 1gqk h GLU 655 N 0.85 0.33 -0.71 0.20 4.39 -0.34 -2.12 114.58 117.18 1gqk h GLU 655 Ca 0.14 -0.35 -0.05 0.00 0.34 0.00 0.00 59.36 59.44 1gqk h GLU 655 Cb 0.60 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 1gqk h GLU 655 CO 0.04 1.03 0.24 0.00 -1.16 0.00 0.00 179.01 179.16 1gqk h ALA 656 N 0.85 1.08 -0.49 3.43 0.00 0.12 0.20 119.26 124.45 1gqk h ALA 656 Ca -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1gqk h ALA 656 Cb 1.52 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1gqk h ALA 656 CO 0.15 0.63 0.22 0.28 0.00 0.00 0.00 179.25 180.53 1gqk h VAL 657 N 1.04 1.20 -0.72 0.00 2.07 -1.14 0.70 116.25 119.41 1gqk h VAL 657 Ca 0.23 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1gqk h VAL 657 Cb 0.27 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1gqk h VAL 657 CO -0.01 0.23 0.35 -0.09 0.02 0.00 0.00 177.57 178.07 1gqk h ARG 658 N 0.65 1.03 0.11 1.57 2.43 -0.76 0.41 114.38 119.83 1gqk h ARG 658 Ca 0.17 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1gqk h ARG 658 Cb 0.16 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1gqk h ARG 658 CO -0.02 0.80 -0.05 -1.49 -1.51 0.00 0.00 179.97 177.70 1gqk h TRP 659 N 1.00 -0.14 0.03 2.20 4.06 -0.31 -1.11 115.95 121.67 1gqk h TRP 659 Ca 0.25 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.20 1gqk h TRP 659 Cb 0.11 0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 1gqk h TRP 659 CO 0.01 -0.04 -0.07 -0.09 -3.56 0.00 0.00 178.44 174.69 1gqk h ARG 660 N -0.21 -0.13 -0.63 0.49 2.43 -0.57 -1.32 114.38 114.44 1gqk h ARG 660 Ca -0.02 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1gqk h ARG 660 Cb 0.16 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1gqk h ARG 660 CO 0.03 -0.09 0.12 -0.91 -1.51 0.00 0.00 179.97 177.61 1gqk h ASN 661 N -0.14 0.99 -0.36 -3.80 2.35 -0.91 -0.73 115.58 112.99 1gqk h ASN 661 Ca 0.02 -0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 55.46 1gqk h ASN 661 Cb 0.15 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1gqk h ASN 661 CO -0.05 0.99 0.01 0.28 -1.65 0.00 0.00 177.43 177.00 1gqk h SER 662 N 0.95 0.61 -0.05 5.81 0.02 -1.05 -1.36 113.55 118.48 1gqk h SER 662 Ca 0.19 -0.30 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 1gqk h SER 662 Cb 0.41 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.79 1gqk h SER 662 CO 0.01 0.76 -0.35 0.00 -1.14 0.00 0.00 176.83 176.11 1gqk h VAL 664 N -0.20 1.17 -0.60 0.00 2.07 -1.17 -0.30 116.25 117.21 1gqk h VAL 664 Ca -0.03 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1gqk h VAL 664 Cb 1.02 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1gqk h VAL 664 CO 0.07 0.18 0.16 -0.07 0.02 0.00 0.00 177.57 177.92 1gqk h LEU 665 N 0.40 0.86 0.03 2.57 3.38 -1.32 0.83 115.31 122.05 1gqk h LEU 665 Ca 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1gqk h LEU 665 Cb 0.14 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1gqk h LEU 665 CO -0.01 0.83 -0.01 0.22 0.09 0.00 0.00 178.44 179.55 1gqk h TYR 666 N 0.88 -0.03 -0.26 1.13 3.20 -1.05 -1.11 116.97 119.73 1gqk h TYR 666 Ca 0.19 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 1gqk h TYR 666 Cb 0.30 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1gqk h TYR 666 CO 0.02 0.25 -0.12 0.74 -1.64 0.00 0.00 178.16 177.41 1gqk h PHE 667 N -0.31 0.47 -0.36 -3.82 0.04 -0.93 -2.01 116.94 110.02 1gqk h PHE 667 Ca -0.00 -0.07 0.03 0.00 2.80 0.00 0.00 57.97 60.73 1gqk h PHE 667 Cb 0.29 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 1gqk h PHE 667 CO 0.02 0.55 0.16 0.37 -0.60 0.00 0.00 178.31 178.81 1gqk h GLN 668 N 0.41 0.33 -0.02 1.51 4.15 -0.74 0.24 115.11 120.99 1gqk h GLN 668 Ca 0.08 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.48 1gqk h GLN 668 Cb 0.46 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 1gqk h GLN 668 CO 0.03 0.22 0.02 0.66 -1.93 0.00 0.00 178.83 177.82 1gqk h SER 669 N 0.34 0.00 0.03 -0.69 4.64 -0.46 0.87 113.55 118.28 1gqk h SER 669 Ca 0.15 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.24 1gqk h SER 669 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1gqk h SER 669 CO -0.12 0.00 -1.26 0.58 -0.87 0.00 0.00 176.83 175.15 1gqk h VAL 670 N 0.00 0.98 -0.00 0.95 2.07 -1.11 -3.39 116.25 115.74 1gqk h VAL 670 Ca 0.01 -2.25 -0.17 0.00 0.82 0.00 0.00 66.70 65.11 1gqk h VAL 670 Cb 0.05 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1gqk h VAL 670 CO -0.00 0.48 -0.80 0.00 0.02 0.00 0.00 177.57 177.26 1gqk h ALA 671 N -0.30 0.66 -2.96 1.67 0.00 -0.19 -3.28 119.26 114.86 1gqk h ALA 671 Ca -0.32 -0.71 -0.21 0.00 0.00 0.00 0.00 54.91 53.67 1gqk h ALA 671 Cb 1.44 -0.11 0.05 0.00 0.00 0.00 0.00 17.79 19.17 1gqk h ALA 671 CO -0.11 0.95 -0.33 0.41 0.00 0.00 0.00 179.25 180.17 1gqk n GLY 672 N 0.75 0.12 3.33 0.00 0.00 0.30 -4.84 105.19 104.84 1gqk n GLY 672 Ca -0.02 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 -5.37 1.47 0.49 1.61 0.52 -1.25 -5.09 118.95 111.32 1gqk s ARG 673 Ca 0.22 -1.16 -0.19 0.00 -0.52 0.00 0.00 55.73 54.08 1gqk s ARG 673 Cb -0.10 -1.75 -0.08 0.00 0.52 0.00 0.00 34.95 33.53 1gqk s ARG 673 CO 0.27 0.43 1.00 -1.25 0.02 0.00 0.00 175.30 175.78 1gqk s PRO 674 N -1.61 3.89 -0.08 3.54 0.04 -1.26 -4.82 135.00 134.69 1gqk s PRO 674 Ca 0.11 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.04 1gqk s PRO 674 Cb -0.10 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1gqk s PRO 674 CO 0.04 -0.33 1.07 0.42 0.04 0.00 0.00 177.00 178.23 1gqk s ILE 675 N -2.23 4.62 0.42 0.56 1.01 -1.26 -5.01 121.20 119.32 1gqk s ILE 675 Ca 0.64 1.90 -0.25 0.00 0.00 0.00 0.00 60.65 62.94 1gqk s ILE 675 Cb -0.13 -4.22 -0.10 0.00 0.01 0.00 0.00 42.46 38.02 1gqk s ILE 675 CO 0.22 0.01 1.09 -2.65 0.00 0.00 0.00 174.94 173.61 1gqk n PRO 676 N 5.01 1.51 0.31 2.79 -0.02 -1.26 -4.87 135.00 138.45 1gqk n PRO 676 Ca 0.09 0.54 0.17 0.00 -2.02 0.00 0.00 63.50 62.28 1gqk n PRO 676 Cb 0.48 -2.14 0.98 0.00 -0.02 0.00 0.00 33.50 32.80 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 1.68 1.38 0.00 3.55 0.00 -2.02 -1.18 119.26 122.66 1gqk h ALA 677 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1gqk h ALA 677 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1gqk h ALA 677 CO 0.58 0.01 0.00 0.27 0.00 0.00 0.00 179.25 180.11 1gqk n ASN 678 N -3.64 0.00 -4.62 0.00 6.94 -1.26 -4.67 115.26 108.01 1gqk n ASN 678 Ca -0.03 -0.65 -0.34 0.00 -0.02 0.00 0.00 54.58 53.54 1gqk n ASN 678 Cb 0.09 -0.04 -0.10 0.00 -2.36 0.00 0.00 39.78 37.37 1gqk n ASN 678 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1gqk s TYR 679 N -2.08 3.15 0.11 -2.53 2.02 -0.45 -5.06 117.35 112.52 1gqk s TYR 679 Ca 0.34 0.02 -0.31 0.00 -0.37 0.00 0.00 57.07 56.75 1gqk s TYR 679 Cb 0.16 -1.92 -0.10 0.00 -0.40 0.00 0.00 41.96 39.71 1gqk s TYR 679 CO 0.28 0.25 1.83 -1.83 -1.57 0.00 0.00 175.55 174.51 1gqk s GLU 680 N -0.20 4.14 0.22 -0.62 -1.05 -1.26 -4.90 118.70 115.03 1gqk s GLU 680 Ca 0.05 2.58 -0.30 0.00 -0.15 0.00 0.00 54.97 57.15 1gqk s GLU 680 Cb -0.12 -3.66 -0.09 0.00 -0.44 0.00 0.00 34.13 29.81 1gqk s GLU 680 CO 0.02 -0.85 1.28 -1.14 0.95 0.00 0.00 175.26 175.52 1gqk s GLN 681 N 2.94 4.42 0.33 -4.83 -0.44 -1.26 -4.94 119.66 115.88 1gqk s GLN 681 Ca 0.81 2.04 -0.27 0.00 -2.50 0.00 0.00 55.36 55.44 1gqk s GLN 681 Cb -0.45 -3.18 -0.13 0.00 -1.64 0.00 0.00 33.01 27.61 1gqk s GLN 681 CO 0.37 -0.19 0.96 -2.30 0.50 0.00 0.00 175.29 174.63 1gqk n PRO 682 N 2.22 1.27 -0.25 1.67 -0.02 -1.26 -4.88 135.00 133.75 1gqk n PRO 682 Ca 0.04 0.45 0.18 0.00 -2.02 0.00 0.00 63.50 62.15 1gqk n PRO 682 Cb 0.43 -1.85 0.49 0.00 -0.02 0.00 0.00 33.50 32.55 1gqk n PRO 682 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1gqk h GLU 683 N 1.76 0.44 0.00 -0.52 5.08 -1.99 -3.45 114.58 115.89 1gqk h GLU 683 Ca -0.41 -0.03 -0.41 0.00 -1.00 0.00 0.00 59.36 57.51 1gqk h GLU 683 Cb 1.35 -0.10 -0.11 0.00 0.50 0.00 0.00 28.75 30.39 1gqk h GLU 683 CO 0.59 0.29 -0.40 0.72 -1.00 0.00 0.00 179.01 179.21 1gqk n HIS 684 N -4.53 -0.57 -2.57 4.33 8.25 -1.26 -5.19 115.22 113.68 1gqk n HIS 684 Ca 0.19 -2.35 -0.24 0.00 -0.26 0.00 0.00 57.72 55.06 1gqk n HIS 684 Cb 0.67 0.21 0.11 0.00 1.12 0.00 0.00 29.99 32.10 1gqk n HIS 684 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1gqk s ASP 685 N -2.99 4.33 0.16 0.41 3.84 -1.26 -4.96 116.67 116.19 1gqk s ASP 685 Ca 0.32 -0.34 -0.15 0.00 -0.00 0.00 0.00 52.55 52.37 1gqk s ASP 685 Cb 0.02 -0.04 0.03 0.00 -1.38 0.00 0.00 42.92 41.55 1gqk s ASP 685 CO 0.22 -1.88 1.80 0.25 -0.00 0.00 0.00 175.17 175.57 1gqk h LEU 686 N -0.55 0.54 -1.03 2.11 5.85 -1.94 -2.17 115.31 118.12 1gqk h LEU 686 Ca -0.37 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.38 1gqk h LEU 686 Cb 1.27 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.09 1gqk h LEU 686 CO 0.40 0.42 0.64 -0.08 -0.34 0.00 0.00 178.44 179.48 1gqk h GLU 687 N 0.62 1.11 -0.95 1.25 4.57 -1.99 -0.60 114.58 118.59 1gqk h GLU 687 Ca 0.17 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1gqk h GLU 687 Cb -0.03 -0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 28.26 1gqk h GLU 687 CO -0.03 0.73 0.63 -0.92 -1.18 0.00 0.00 179.01 178.24 1gqk h TYR 688 N 1.14 1.19 0.00 0.92 5.03 -1.79 -0.18 116.97 123.29 1gqk h TYR 688 Ca 0.43 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.65 1gqk h TYR 688 Cb 0.19 -0.40 -0.02 0.00 1.55 0.00 0.00 36.73 38.05 1gqk h TYR 688 CO -0.00 0.74 -0.55 1.88 -1.32 0.00 0.00 178.16 178.91 1gqk h TYR 689 N 1.28 0.00 -0.63 -3.82 -1.99 -0.80 0.50 116.97 111.50 1gqk h TYR 689 Ca 0.35 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.99 1gqk h TYR 689 Cb -0.13 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.57 1gqk h TYR 689 CO -0.00 0.55 0.05 0.87 -0.00 0.00 0.00 178.16 179.63 1gqk h LYS 690 N 0.00 1.08 -0.46 4.88 1.57 -0.48 -0.72 116.57 122.44 1gqk h LYS 690 Ca -0.01 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1gqk h LYS 690 Cb 1.09 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1gqk h LYS 690 CO 0.07 1.02 0.14 1.98 -0.57 0.00 0.00 179.45 182.09 1gqk h MET 691 N 1.00 0.72 -0.43 3.15 4.05 -0.55 -2.19 114.93 120.67 1gqk h MET 691 Ca 0.19 -0.16 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 1gqk h MET 691 Cb 0.50 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.17 1gqk h MET 691 CO 0.02 0.69 0.11 -0.07 0.23 0.00 0.00 176.91 177.89 1gqk h LEU 692 N 0.61 0.58 -0.93 3.39 3.38 -0.63 -1.66 115.31 120.04 1gqk h LEU 692 Ca 0.15 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1gqk h LEU 692 Cb 0.27 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1gqk h LEU 692 CO -0.00 0.57 0.15 0.00 0.09 0.00 0.00 178.44 179.25 1gqk h ALA 693 N 1.51 1.13 0.00 1.53 0.00 -0.72 0.84 119.26 123.56 1gqk h ALA 693 Ca 0.14 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1gqk h ALA 693 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1gqk h ALA 693 CO -0.01 0.59 -0.38 0.00 0.00 0.00 0.00 179.25 179.45 1gqk h ARG 694 N 0.89 0.00 0.00 0.00 3.08 -0.88 -3.38 114.38 114.09 1gqk h ARG 694 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1gqk h ARG 694 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1gqk h ARG 694 CO -0.00 0.38 -0.91 0.25 -1.07 0.00 0.00 179.97 178.63 1gqk n THR 695 N -3.47 0.00 -2.37 2.04 -2.24 -0.67 -4.71 114.28 102.86 1gqk n THR 695 Ca 0.00 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1gqk n THR 695 Cb 0.54 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 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 -2.16 4.13 0.18 4.28 2.01 0.26 -4.93 115.64 119.41 1gqk s THR 696 Ca -0.00 1.43 -0.33 0.00 0.31 0.00 0.00 61.69 63.09 1gqk s THR 696 Cb 0.05 -3.92 -0.15 0.00 0.01 0.00 0.00 72.50 68.49 1gqk s THR 696 CO 0.31 -0.07 1.27 0.00 -0.69 0.00 0.00 174.62 175.44 1gqk n TYR 697 N 6.01 1.59 -3.41 4.92 9.36 -1.26 -4.95 117.16 129.42 1gqk n TYR 697 Ca 0.13 0.59 -0.43 0.00 3.32 0.00 0.00 57.90 61.51 1gqk n TYR 697 Cb 0.45 -2.35 -0.10 0.00 -0.63 0.00 0.00 39.34 36.72 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 -0.01 5.19 -1.34 2.97 1.01 -1.26 -5.01 120.40 121.94 1gqk s VAL 698 Ca 0.74 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 1gqk s VAL 698 Cb -0.80 -3.95 0.11 0.00 0.00 0.00 0.00 36.38 31.73 1gqk s VAL 698 CO 0.50 -0.31 1.94 -0.81 0.00 0.00 0.00 175.10 176.42 1gqk n PRO 699 N 5.33 3.24 -3.67 2.72 -0.04 -1.26 -4.34 135.00 136.99 1gqk n PRO 699 Ca -0.10 -3.17 -0.08 0.00 -0.04 0.00 0.00 63.50 60.11 1gqk n PRO 699 Cb 0.47 -3.16 -0.09 0.00 -0.04 0.00 0.00 33.50 30.69 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 2.12 0.45 0.28 0.54 2.12 -1.26 -4.78 118.70 118.17 1gqk s GLU 700 Ca 0.45 1.03 -0.03 0.00 0.36 0.00 0.00 54.97 56.78 1gqk s GLU 700 Cb 0.09 0.24 0.39 0.00 0.26 0.00 0.00 34.13 35.11 1gqk s GLU 700 CO -0.02 -0.19 1.95 -1.35 -0.54 0.00 0.00 175.26 175.11 1gqk h PRO 701 N 7.57 1.14 0.20 4.30 0.11 -1.88 -3.32 132.00 140.12 1gqk h PRO 701 Ca -0.26 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 1gqk h PRO 701 Cb 1.16 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1gqk h PRO 701 CO 0.19 0.77 -0.10 2.35 -0.21 0.00 0.00 178.00 181.00 1gqk h TRP 702 N 1.17 -0.25 -3.39 0.65 7.01 -1.86 -3.44 115.95 115.85 1gqk h TRP 702 Ca 0.31 -0.01 -0.52 0.00 2.11 0.00 0.00 58.89 60.78 1gqk h TRP 702 Cb -0.12 0.08 0.01 0.00 -2.10 0.00 0.00 29.16 27.04 1gqk h TRP 702 CO 0.00 0.04 0.56 -1.58 -2.79 0.00 0.00 178.44 174.67 1gqk s HIS 703 N -5.01 3.43 0.57 2.65 2.46 -1.25 -4.89 115.29 113.25 1gqk s HIS 703 Ca -0.15 1.38 0.32 0.00 0.47 0.00 0.00 55.06 57.08 1gqk s HIS 703 Cb 0.03 -3.43 1.44 0.00 -0.13 0.00 0.00 32.58 30.49 1gqk s HIS 703 CO 0.60 -1.24 1.78 -1.35 -2.47 0.00 0.00 174.74 172.07 1gqk h PRO 704 N 5.73 0.00 -0.58 2.88 0.11 -1.91 -1.65 132.00 136.58 1gqk h PRO 704 Ca -0.44 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.82 1gqk h PRO 704 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1gqk h PRO 704 CO 0.77 0.00 0.41 0.00 -0.21 0.00 0.00 178.00 178.96 1gqk h ALA 705 N 1.33 2.35 0.00 -0.75 0.00 -1.93 0.16 119.26 120.41 1gqk h ALA 705 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1gqk h ALA 705 Cb 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1gqk h ALA 705 CO -0.00 -0.51 0.00 0.66 0.00 0.00 0.00 179.25 179.40 1gqk h SER 706 N 0.14 0.00 -0.03 0.00 4.64 -1.49 -0.90 113.55 115.92 1gqk h SER 706 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1gqk h SER 706 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1gqk h SER 706 CO -0.04 0.00 -0.03 -1.20 -0.87 0.00 0.00 176.83 174.69 1gqk n SER 707 N -2.47 2.94 -4.72 4.97 7.64 0.54 -4.85 113.62 117.67 1gqk n SER 707 Ca 0.00 -1.97 -0.42 0.00 1.01 0.00 0.00 58.87 57.49 1gqk n SER 707 Cb 0.16 0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.36 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 -2.03 6.58 -0.07 6.43 0.15 -0.34 -4.89 113.70 119.53 1gqk s SER 708 Ca 0.27 2.61 0.18 0.00 0.70 0.00 0.00 55.95 59.72 1gqk s SER 708 Cb 0.20 -2.59 0.64 0.00 -1.71 0.00 0.00 66.02 62.56 1gqk s SER 708 CO 0.32 -0.83 1.54 0.54 1.20 0.00 0.00 173.24 176.00 1gqk n ARG 709 N 4.11 3.18 -1.80 5.44 1.74 -1.26 -4.96 116.66 123.11 1gqk n ARG 709 Ca 0.14 -2.57 -0.42 0.00 -0.77 0.00 0.00 57.85 54.23 1gqk n ARG 709 Cb 0.39 -1.73 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 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 -1.56 2.23 0.00 1.55 1.01 -1.26 -4.90 120.40 117.47 1gqk s VAL 710 Ca 0.47 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1gqk s VAL 710 Cb 0.28 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1gqk s VAL 710 CO 0.26 0.01 0.74 0.18 0.00 0.00 0.00 175.10 176.29 1gqk n LEU 711 N 3.79 1.21 0.00 3.92 4.77 -1.26 -4.59 117.00 124.85 1gqk n LEU 711 Ca 0.14 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 1gqk n LEU 711 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1gqk n LEU 711 CO 0.63 0.30 0.00 0.29 -1.33 0.00 0.00 177.39 177.28