#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqi n ASP 6 N 0.00 3.14 0.00 1.62 5.68 -1.26 -4.43 116.55 121.30 1gqi n ASP 6 Ca 0.00 -2.30 0.00 0.00 -0.50 0.00 0.00 54.79 51.99 1gqi n ASP 6 Cb 0.00 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 1gqi n ASP 6 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gqi n GLY 7 N 0.15 1.14 0.29 6.12 0.00 -1.26 -3.81 105.19 107.82 1gqi n GLY 7 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 1gqi n GLY 7 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1gqi h TYR 8 N 0.00 0.58 0.00 1.61 3.20 -1.87 -1.27 116.97 119.21 1gqi h TYR 8 Ca 0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1gqi h TYR 8 Cb 0.00 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.09 1gqi h TYR 8 CO 0.00 0.49 0.00 -0.25 -1.64 0.00 0.00 178.16 176.76 1gqi n ASP 9 N -4.34 0.25 0.00 -2.11 8.00 -1.26 -4.97 116.55 112.12 1gqi n ASP 9 Ca 0.02 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1gqi n ASP 9 Cb 0.18 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1gqi n ASP 9 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1gqi n MET 10 N -1.74 0.00 -0.13 -1.24 2.81 -0.48 -1.45 117.12 114.89 1gqi n MET 10 Ca 0.06 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.06 1gqi n MET 10 Cb 0.34 0.00 0.30 0.00 -0.71 0.00 0.00 33.22 33.15 1gqi n MET 10 CO 0.00 0.00 0.00 -2.67 1.51 0.00 0.00 175.97 174.81 1gqi n TRP 11 N 14.00 0.35 -2.62 2.03 2.14 -1.26 -4.40 117.44 127.68 1gqi n TRP 11 Ca 0.00 -0.17 -0.41 0.00 2.07 0.00 0.00 57.50 58.98 1gqi n TRP 11 Cb 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 30.52 1gqi n TRP 11 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1gqi n LEU 12 N 0.77 7.31 -4.45 5.67 4.77 -0.53 -4.64 117.00 125.91 1gqi n LEU 12 Ca 0.17 -5.30 -0.43 0.00 -0.03 0.00 0.00 56.01 50.41 1gqi n LEU 12 Cb 0.43 -1.21 -0.09 0.00 -2.33 0.00 0.00 43.42 40.22 1gqi n LEU 12 CO 0.14 1.99 -0.00 -0.13 -1.33 0.00 0.00 177.39 178.06 1gqi s ARG 13 N -3.73 3.00 -0.99 3.23 0.52 -1.26 -4.88 118.95 114.83 1gqi s ARG 13 Ca 0.40 -1.05 -0.01 0.00 -0.52 0.00 0.00 55.73 54.54 1gqi s ARG 13 Cb 0.17 -4.02 0.31 0.00 0.52 0.00 0.00 34.95 31.93 1gqi s ARG 13 CO -0.09 -0.85 1.52 0.66 0.02 0.00 0.00 175.30 176.56 1gqi n TYR 14 N 5.28 2.66 -3.71 -0.53 4.01 -1.26 -4.97 117.16 118.64 1gqi n TYR 14 Ca -0.11 -2.78 -0.30 0.00 -0.16 0.00 0.00 57.90 54.55 1gqi n TYR 14 Cb 0.46 -1.13 -0.04 0.00 -0.31 0.00 0.00 39.34 38.32 1gqi n TYR 14 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1gqi s GLN 15 N -3.40 3.56 0.26 -0.72 -0.21 -1.26 -3.71 119.66 114.19 1gqi s GLN 15 Ca 0.36 -0.21 -0.30 0.00 0.02 0.00 0.00 55.36 55.23 1gqi s GLN 15 Cb 0.13 -2.87 -0.13 0.00 1.00 0.00 0.00 33.01 31.13 1gqi s GLN 15 CO -0.01 0.47 1.37 -2.30 -2.12 0.00 0.00 175.29 172.70 1gqi n PRO 16 N -0.07 2.03 -1.70 2.91 -0.02 -0.86 -4.08 135.00 133.22 1gqi n PRO 16 Ca -0.03 0.72 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 1gqi n PRO 16 Cb 0.52 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1gqi n PRO 16 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1gqi n ILE 17 N 1.49 0.05 0.08 4.25 2.08 -0.68 -4.88 119.36 121.76 1gqi n ILE 17 Ca 0.10 -0.01 -0.09 0.00 0.56 0.00 0.00 62.75 63.31 1gqi n ILE 17 Cb 0.33 -1.87 -0.07 0.00 -0.75 0.00 0.00 39.64 37.28 1gqi n ILE 17 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1gqi h ALA 18 N 6.77 0.38 -1.74 -1.39 0.00 -1.92 -3.42 119.26 117.94 1gqi h ALA 18 Ca -0.44 -0.82 -0.56 0.00 0.00 0.00 0.00 54.91 53.09 1gqi h ALA 18 Cb 1.22 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1gqi h ALA 18 CO 0.94 1.04 1.15 0.34 0.00 0.00 0.00 179.25 182.72 1gqi s ASP 19 N -6.90 6.10 0.33 0.00 -1.08 -1.26 -4.89 116.67 108.97 1gqi s ASP 19 Ca -0.02 0.77 0.03 0.00 -0.52 0.00 0.00 52.55 52.82 1gqi s ASP 19 Cb 0.09 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.59 1gqi s ASP 19 CO 0.84 -1.63 1.89 1.56 0.52 0.00 0.00 175.17 178.34 1gqi h GLN 20 N 11.62 0.63 -0.31 4.34 1.08 -1.99 0.26 115.11 130.74 1gqi h GLN 20 Ca -0.29 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 56.73 1gqi h GLN 20 Cb 1.12 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1gqi h GLN 20 CO 1.10 0.59 -0.08 1.15 -0.95 0.00 0.00 178.83 180.64 1gqi h THR 21 N 0.61 1.28 -0.50 -0.54 2.02 -1.97 -1.88 112.91 111.94 1gqi h THR 21 Ca 0.14 -1.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.09 1gqi h THR 21 Cb 0.25 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1gqi h THR 21 CO -0.00 0.36 -0.07 -0.07 0.37 0.00 0.00 175.52 176.11 1gqi h LEU 22 N 0.38 0.92 -0.57 2.58 3.38 -1.90 -2.52 115.31 117.59 1gqi h LEU 22 Ca 0.08 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.76 1gqi h LEU 22 Cb 0.58 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1gqi h LEU 22 CO 0.03 1.05 0.29 0.25 0.09 0.00 0.00 178.44 180.15 1gqi h LEU 23 N 0.78 0.41 -0.99 1.67 5.85 -0.89 -1.36 115.31 120.79 1gqi h LEU 23 Ca 0.13 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1gqi h LEU 23 Cb 0.62 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1gqi h LEU 23 CO 0.04 0.27 0.53 0.11 -0.34 0.00 0.00 178.44 179.06 1gqi h LYS 24 N 0.55 1.24 -0.15 1.25 1.79 -1.20 -0.08 116.57 119.96 1gqi h LYS 24 Ca 0.25 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1gqi h LYS 24 Cb 0.17 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1gqi h LYS 24 CO -0.18 0.87 0.08 1.15 -1.08 0.00 0.00 179.45 180.30 1gqi h THR 25 N 1.25 1.10 -0.65 -0.16 2.02 -0.93 -1.65 112.91 113.89 1gqi h THR 25 Ca 0.32 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1gqi h THR 25 Cb -0.04 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1gqi h THR 25 CO -0.06 0.09 0.31 1.88 0.37 0.00 0.00 175.52 178.11 1gqi h TYR 26 N 0.14 0.91 -0.21 3.16 0.05 -0.83 -1.95 116.97 118.24 1gqi h TYR 26 Ca 0.05 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 1gqi h TYR 26 Cb 0.08 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 1gqi h TYR 26 CO -0.04 0.67 0.00 1.96 -1.05 0.00 0.00 178.16 179.70 1gqi h GLN 27 N 0.92 0.31 -0.02 4.88 4.20 -0.66 -1.00 115.11 123.73 1gqi h GLN 27 Ca 0.23 -0.05 -0.22 0.00 0.06 0.00 0.00 58.65 58.67 1gqi h GLN 27 Cb 0.10 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1gqi h GLN 27 CO -0.03 0.34 -0.90 0.87 -0.67 0.00 0.00 178.83 178.44 1gqi h LYS 28 N 0.30 0.43 0.09 1.46 1.57 -0.63 -3.34 116.57 116.46 1gqi h LYS 28 Ca 0.07 -0.44 -0.28 0.00 -1.87 0.00 0.00 60.65 58.14 1gqi h LYS 28 Cb 0.21 0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.65 1gqi h LYS 28 CO 0.00 1.09 -1.17 1.96 -0.57 0.00 0.00 179.45 180.76 1gqi h GLN 29 N 0.26 0.49 -3.89 3.15 4.20 -0.97 -3.41 115.11 114.94 1gqi h GLN 29 Ca -0.07 -0.66 -0.65 0.00 0.06 0.00 0.00 58.65 57.33 1gqi h GLN 29 Cb 1.52 0.22 -0.41 0.00 0.30 0.00 0.00 27.48 29.11 1gqi h GLN 29 CO 0.16 1.28 -0.67 0.42 -0.67 0.00 0.00 178.83 179.34 1gqi s ILE 30 N -2.98 2.41 -0.16 2.54 -1.09 -0.42 -4.18 121.20 117.33 1gqi s ILE 30 Ca -0.07 -2.90 0.21 0.00 -2.23 0.00 0.00 60.65 55.66 1gqi s ILE 30 Cb 0.07 -2.72 -0.30 0.00 -1.58 0.00 0.00 42.46 37.92 1gqi s ILE 30 CO 0.91 -0.72 0.51 0.54 -1.23 0.00 0.00 174.94 174.94 1gqi n ARG 31 N 3.59 0.59 -3.89 2.79 1.74 0.69 -4.73 116.66 117.45 1gqi n ARG 31 Ca 0.05 -0.16 -0.09 0.00 -0.77 0.00 0.00 57.85 56.87 1gqi n ARG 31 Cb 0.36 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.24 1gqi n ARG 31 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1gqi s HIS 32 N -3.35 0.17 -0.20 -1.55 3.76 -1.05 -4.98 115.29 108.10 1gqi s HIS 32 Ca -0.05 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 1gqi s HIS 32 Cb 0.13 -0.09 0.05 0.00 1.11 0.00 0.00 32.58 33.78 1gqi s HIS 32 CO 0.85 -0.48 -0.07 -1.17 -0.85 0.00 0.00 174.74 173.02 1gqi s LEU 33 N -2.62 2.15 -0.25 0.89 2.96 -1.26 -0.62 118.68 119.94 1gqi s LEU 33 Ca 0.02 -0.91 -0.07 0.00 -0.22 0.00 0.00 54.13 52.95 1gqi s LEU 33 Cb 0.03 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 1gqi s LEU 33 CO -0.09 -0.19 0.06 -2.28 -1.32 0.00 0.00 176.35 172.53 1gqi s HIS 34 N 1.47 3.07 -0.21 5.38 5.65 0.41 -1.27 115.29 129.80 1gqi s HIS 34 Ca -0.02 -0.55 -0.04 0.00 0.25 0.00 0.00 55.06 54.70 1gqi s HIS 34 Cb -0.17 -2.22 0.07 0.00 -1.18 0.00 0.00 32.58 29.08 1gqi s HIS 34 CO -0.07 -0.41 0.08 0.08 -0.65 0.00 0.00 174.74 173.76 1gqi s VAL 35 N 1.59 0.22 0.05 0.89 1.01 -0.47 -1.98 120.40 121.71 1gqi s VAL 35 Ca 0.06 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1gqi s VAL 35 Cb -0.15 -0.90 -0.19 0.00 0.00 0.00 0.00 36.38 35.14 1gqi s VAL 35 CO 0.03 -0.36 1.15 0.00 0.00 0.00 0.00 175.10 175.92 1gqi h ALA 36 N 8.33 0.48 -2.52 5.51 0.00 -1.82 -3.34 119.26 125.90 1gqi h ALA 36 Ca -0.16 -0.98 -0.48 0.00 0.00 0.00 0.00 54.91 53.29 1gqi h ALA 36 Cb 1.10 -0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.99 1gqi h ALA 36 CO 0.35 1.25 0.39 0.20 0.00 0.00 0.00 179.25 181.44 1gqi s GLY 37 N -4.77 1.61 0.00 0.00 0.00 -1.24 -4.96 107.32 97.95 1gqi s GLY 37 Ca -0.00 -0.45 0.03 0.00 0.00 0.00 0.00 44.72 44.30 1gqi s GLY 37 CO 0.81 -0.01 0.84 2.09 0.00 0.00 0.00 173.10 176.83 1gqi n ASP 38 N -3.23 0.02 -4.75 1.64 5.68 -1.26 -4.77 116.55 109.88 1gqi n ASP 38 Ca 0.07 -1.64 -0.30 0.00 -0.50 0.00 0.00 54.79 52.42 1gqi n ASP 38 Cb 0.59 -0.10 0.11 0.00 -1.14 0.00 0.00 41.12 40.58 1gqi n ASP 38 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1gqi s SER 39 N -0.74 4.05 0.28 -1.12 1.04 -1.26 -4.73 113.70 111.21 1gqi s SER 39 Ca 0.03 1.65 0.01 0.00 0.48 0.00 0.00 55.95 58.13 1gqi s SER 39 Cb 0.04 -2.34 0.59 0.00 0.10 0.00 0.00 66.02 64.41 1gqi s SER 39 CO -0.02 -2.30 1.79 -0.65 0.98 0.00 0.00 173.24 173.04 1gqi h PRO 40 N -1.31 0.75 -0.24 4.02 0.11 -1.98 0.13 132.00 133.47 1gqi h PRO 40 Ca -0.46 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1gqi h PRO 40 Cb 1.26 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1gqi h PRO 40 CO 0.53 0.49 -0.14 1.15 -0.21 0.00 0.00 178.00 179.83 1gqi h THR 41 N 0.77 1.31 -0.77 -1.15 2.02 -1.92 -0.81 112.91 112.35 1gqi h THR 41 Ca 0.50 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 1gqi h THR 41 Cb 0.67 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 1gqi h THR 41 CO -0.34 0.38 0.33 0.40 0.37 0.00 0.00 175.52 176.67 1gqi h ILE 42 N 0.23 1.25 -0.78 3.11 1.08 -1.73 -1.27 117.51 119.41 1gqi h ILE 42 Ca 0.05 -0.77 0.03 0.00 -0.39 0.00 0.00 64.86 63.79 1gqi h ILE 42 Cb 0.65 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 1gqi h ILE 42 CO 0.04 0.32 0.52 0.78 -0.69 0.00 0.00 178.15 179.11 1gqi h ASN 43 N 1.11 0.83 -0.25 1.72 2.35 -0.58 0.20 115.58 120.95 1gqi h ASN 43 Ca 0.26 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.85 1gqi h ASN 43 Cb 0.18 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1gqi h ASN 43 CO -0.03 0.57 -0.40 0.00 -1.65 0.00 0.00 177.43 175.92 1gqi h ALA 44 N 1.54 0.67 -0.31 -0.83 0.00 -0.47 -0.16 119.26 119.70 1gqi h ALA 44 Ca 0.31 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1gqi h ALA 44 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1gqi h ALA 44 CO -0.09 0.67 0.08 0.00 0.00 0.00 0.00 179.25 179.91 1gqi h ALA 45 N 0.89 0.40 -0.74 0.00 0.00 -0.63 -1.54 119.26 117.64 1gqi h ALA 45 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1gqi h ALA 45 Cb 0.97 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1gqi h ALA 45 CO 0.09 0.05 0.47 0.00 0.00 0.00 0.00 179.25 179.87 1gqi h ALA 46 N 0.92 0.94 -0.76 0.00 0.00 -0.45 -0.63 119.26 119.28 1gqi h ALA 46 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1gqi h ALA 46 Cb 0.27 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1gqi h ALA 46 CO -0.00 0.38 0.40 0.00 0.00 0.00 0.00 179.25 180.03 1gqi h ALA 47 N 1.26 0.98 -0.40 0.00 0.00 -0.90 0.72 119.26 120.91 1gqi h ALA 47 Ca 0.27 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1gqi h ALA 47 Cb -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1gqi h ALA 47 CO -0.06 0.50 0.01 1.49 0.00 0.00 0.00 179.25 181.20 1gqi h GLU 48 N 1.06 0.70 -0.44 0.00 4.57 -0.86 -1.87 114.58 117.74 1gqi h GLU 48 Ca 0.27 -0.22 -0.10 0.00 -1.18 0.00 0.00 59.36 58.13 1gqi h GLU 48 Cb 0.06 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1gqi h GLU 48 CO -0.04 0.78 -0.14 -0.07 -1.18 0.00 0.00 179.01 178.37 1gqi h LEU 49 N 0.53 0.80 0.11 1.64 3.38 -0.87 0.17 115.31 121.07 1gqi h LEU 49 Ca 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1gqi h LEU 49 Cb 0.46 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1gqi h LEU 49 CO 0.02 0.95 -0.05 -0.61 0.09 0.00 0.00 178.44 178.83 1gqi h GLN 50 N 0.72 -0.14 -0.42 1.13 4.15 -0.71 0.98 115.11 120.81 1gqi h GLN 50 Ca 0.12 0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.40 1gqi h GLN 50 Cb 0.63 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1gqi h GLN 50 CO 0.04 -0.02 -0.29 0.07 -1.93 0.00 0.00 178.83 176.70 1gqi h ARG 51 N -0.24 0.92 0.21 1.69 0.11 -1.24 -1.91 114.38 113.93 1gqi h ARG 51 Ca -0.02 -0.43 -0.01 0.00 0.10 0.00 0.00 59.98 59.62 1gqi h ARG 51 Cb 0.19 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1gqi h ARG 51 CO 0.03 1.09 -0.10 0.78 0.10 0.00 0.00 179.97 181.86 1gqi h GLY 52 N 0.86 -0.29 1.07 0.08 0.00 -0.56 -1.92 103.07 102.31 1gqi h GLY 52 Ca 0.09 0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 1gqi h GLY 52 CO 0.08 -0.11 0.23 1.41 0.00 0.00 0.00 176.54 178.15 1gqi h LEU 53 N -0.70 1.08 -0.87 3.11 3.38 -0.89 -0.73 115.31 119.70 1gqi h LEU 53 Ca -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1gqi h LEU 53 Cb 0.49 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1gqi h LEU 53 CO 0.05 1.00 0.45 0.28 0.09 0.00 0.00 178.44 180.31 1gqi h SER 54 N 1.11 1.11 0.07 -0.43 0.02 -1.35 -0.20 113.55 113.88 1gqi h SER 54 Ca 0.24 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1gqi h SER 54 Cb 0.31 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1gqi h SER 54 CO -0.01 0.91 -0.04 1.23 -1.14 0.00 0.00 176.83 177.79 1gqi h GLY 55 N 1.23 -0.10 1.32 -3.77 0.00 -1.13 -1.79 103.07 98.82 1gqi h GLY 55 Ca 0.30 0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.61 1gqi h GLY 55 CO -0.04 -0.04 0.10 1.41 0.00 0.00 0.00 176.54 177.97 1gqi h LEU 56 N -0.69 0.80 -1.27 3.11 3.38 -1.09 -2.25 115.31 117.30 1gqi h LEU 56 Ca -0.01 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1gqi h LEU 56 Cb 0.56 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1gqi h LEU 56 CO 0.02 0.80 -0.18 0.18 0.09 0.00 0.00 178.44 179.35 1gqi n LEU 57 N -4.26 2.15 -3.74 1.67 4.32 -0.09 -1.68 117.00 115.37 1gqi n LEU 57 Ca 0.04 -0.73 -0.24 0.00 -0.02 0.00 0.00 56.01 55.06 1gqi n LEU 57 Cb 0.25 -0.02 0.04 0.00 -1.62 0.00 0.00 43.42 42.07 1gqi n LEU 57 CO 0.41 0.37 0.04 -3.20 -1.22 0.00 0.00 177.39 173.79 1gqi n ASN 58 N 0.43 -3.02 -3.50 -1.43 5.15 -0.70 -4.94 115.26 107.25 1gqi n ASN 58 Ca 0.13 -0.76 -0.13 0.00 -0.60 0.00 0.00 54.58 53.22 1gqi n ASN 58 Cb 0.48 -4.20 -0.04 0.00 -0.53 0.00 0.00 39.78 35.48 1gqi n ASN 58 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1gqi s LYS 59 N -6.17 1.00 -0.29 1.20 -2.85 -1.04 -5.06 119.74 106.53 1gqi s LYS 59 Ca 0.29 -0.07 -0.29 0.00 -1.00 0.00 0.00 55.97 54.90 1gqi s LYS 59 Cb -0.14 0.47 -0.01 0.00 -2.06 0.00 0.00 37.83 36.08 1gqi s LYS 59 CO 0.80 -0.38 1.49 -1.25 0.10 0.00 0.00 175.35 176.11 1gqi s PRO 60 N -2.25 3.77 -0.19 1.78 0.04 -1.26 -4.16 135.00 132.73 1gqi s PRO 60 Ca -0.03 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 1gqi s PRO 60 Cb -0.01 -3.99 0.01 0.00 0.04 0.00 0.00 34.50 30.55 1gqi s PRO 60 CO -0.01 -1.32 -0.15 0.42 0.04 0.00 0.00 177.00 175.98 1gqi s ILE 61 N 5.07 2.53 -0.09 0.56 -1.09 -1.26 -5.02 121.20 121.89 1gqi s ILE 61 Ca 0.65 -0.78 0.04 0.00 -2.23 0.00 0.00 60.65 58.32 1gqi s ILE 61 Cb -0.20 -2.09 -0.01 0.00 -1.58 0.00 0.00 42.46 38.58 1gqi s ILE 61 CO 0.28 0.50 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.58 1gqi s VAL 62 N 1.29 2.27 0.16 2.92 1.01 -1.26 -4.62 120.40 122.18 1gqi s VAL 62 Ca 0.04 -0.96 -0.31 0.00 0.00 0.00 0.00 61.98 60.75 1gqi s VAL 62 Cb -0.14 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.28 1gqi s VAL 62 CO -0.08 0.56 1.43 0.00 0.00 0.00 0.00 175.10 177.00 1gqi s ALA 63 N 0.18 3.64 0.03 5.51 0.00 -1.26 -4.25 121.76 125.59 1gqi s ALA 63 Ca -0.13 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.03 1gqi s ALA 63 Cb -0.16 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 1gqi s ALA 63 CO 0.07 -0.67 0.01 1.03 0.00 0.00 0.00 175.76 176.20 1gqi s ARG 64 N 0.67 0.42 -0.55 0.00 0.52 -0.39 -4.96 118.95 114.66 1gqi s ARG 64 Ca 0.64 -0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 55.11 1gqi s ARG 64 Cb -0.39 0.15 0.14 0.00 0.52 0.00 0.00 34.95 35.38 1gqi s ARG 64 CO 0.34 -0.08 0.36 0.34 0.02 0.00 0.00 175.30 176.28 1gqi s ASP 65 N -1.81 5.18 0.27 0.23 2.15 -1.25 -1.36 116.67 120.08 1gqi s ASP 65 Ca -0.10 -2.62 -0.11 0.00 0.43 0.00 0.00 52.55 50.15 1gqi s ASP 65 Cb -0.05 -1.83 -0.00 0.00 -0.30 0.00 0.00 42.92 40.73 1gqi s ASP 65 CO -0.03 -0.41 0.47 -1.83 -0.17 0.00 0.00 175.17 173.20 1gqi s GLU 66 N 0.27 1.62 0.16 4.34 -1.05 -1.26 -5.06 118.70 117.72 1gqi s GLU 66 Ca 0.14 -1.37 -0.34 0.00 -0.15 0.00 0.00 54.97 53.26 1gqi s GLU 66 Cb -0.21 0.46 -0.15 0.00 -0.44 0.00 0.00 34.13 33.79 1gqi s GLU 66 CO -0.03 -0.67 1.41 1.17 0.95 0.00 0.00 175.26 178.09 1gqi n LYS 67 N -0.41 1.71 -1.66 -4.83 4.81 -1.26 -4.82 118.16 111.69 1gqi n LYS 67 Ca -0.01 0.61 -0.47 0.00 -0.87 0.00 0.00 58.31 57.57 1gqi n LYS 67 Cb 0.62 -2.28 -0.04 0.00 0.02 0.00 0.00 35.03 33.35 1gqi n LYS 67 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1gqi n LEU 68 N 2.67 2.93 -4.84 3.14 7.94 -1.26 -5.00 117.00 122.59 1gqi n LEU 68 Ca 0.16 1.09 -0.27 0.00 -1.11 0.00 0.00 56.01 55.87 1gqi n LEU 68 Cb 0.26 -1.40 -0.05 0.00 0.53 0.00 0.00 43.42 42.76 1gqi n LEU 68 CO 0.62 -0.37 -0.19 -0.54 -1.11 0.00 0.00 177.39 175.80 1gqi s LYS 69 N 0.87 3.06 0.38 1.96 1.02 -1.26 -5.07 119.74 120.71 1gqi s LYS 69 Ca 0.79 -0.74 -0.28 0.00 0.02 0.00 0.00 55.97 55.77 1gqi s LYS 69 Cb -0.71 -2.76 -0.10 0.00 -0.52 0.00 0.00 37.83 33.74 1gqi s LYS 69 CO 0.39 0.52 1.40 0.34 -0.92 0.00 0.00 175.35 177.08 1gqi s ASP 70 N -2.96 6.39 -0.74 2.83 2.15 -1.26 -3.69 116.67 119.38 1gqi s ASP 70 Ca 0.32 2.88 -0.04 0.00 0.43 0.00 0.00 52.55 56.14 1gqi s ASP 70 Cb -0.11 -2.66 -0.04 0.00 -0.30 0.00 0.00 42.92 39.81 1gqi s ASP 70 CO 0.25 -0.82 0.64 -1.22 -0.17 0.00 0.00 175.17 173.85 1gqi n TYR 71 N 0.41 -1.68 -4.29 -5.34 4.01 0.42 -4.80 117.16 105.89 1gqi n TYR 71 Ca 0.02 0.60 -0.28 0.00 -0.16 0.00 0.00 57.90 58.08 1gqi n TYR 71 Cb 0.41 -3.70 -0.10 0.00 -0.31 0.00 0.00 39.34 35.64 1gqi n TYR 71 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1gqi s SER 72 N -3.36 4.14 -0.20 7.72 0.01 -1.03 -0.22 113.70 120.76 1gqi s SER 72 Ca 0.27 -0.57 -0.15 0.00 1.31 0.00 0.00 55.95 56.82 1gqi s SER 72 Cb -0.04 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.48 1gqi s SER 72 CO 0.51 0.13 0.35 -0.22 0.41 0.00 0.00 173.24 174.42 1gqi s LEU 73 N -2.59 4.16 -0.13 2.44 2.96 0.21 -1.14 118.68 124.59 1gqi s LEU 73 Ca 0.23 0.45 0.02 0.00 -0.22 0.00 0.00 54.13 54.61 1gqi s LEU 73 Cb -0.09 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.17 1gqi s LEU 73 CO 0.14 -0.04 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.24 1gqi s VAL 74 N 1.18 1.92 0.05 1.68 1.01 0.09 -0.44 120.40 125.88 1gqi s VAL 74 Ca 0.17 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1gqi s VAL 74 Cb -0.14 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1gqi s VAL 74 CO 0.07 0.52 -0.24 0.27 0.00 0.00 0.00 175.10 175.72 1gqi s ILE 75 N 0.88 1.92 -5.00 2.22 -4.36 -0.84 -1.05 121.20 114.97 1gqi s ILE 75 Ca -0.06 -1.31 0.00 0.00 -0.26 0.00 0.00 60.65 59.02 1gqi s ILE 75 Cb -0.15 -1.66 0.00 0.00 1.25 0.00 0.00 42.46 41.90 1gqi s ILE 75 CO -0.02 0.29 0.00 0.61 0.24 0.00 0.00 174.94 176.06 1gqi n GLY 76 N 1.80 -2.03 3.71 6.27 0.00 -0.60 -4.36 105.19 109.99 1gqi n GLY 76 Ca -0.17 -1.32 -0.23 0.00 0.00 0.00 0.00 46.02 44.30 1gqi n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gqi s THR 77 N -2.42 3.29 0.58 2.61 -4.23 -1.26 -2.61 115.64 111.61 1gqi s THR 77 Ca 0.00 -1.73 0.28 0.00 -1.18 0.00 0.00 61.69 59.05 1gqi s THR 77 Cb 0.00 -2.98 0.35 0.00 1.34 0.00 0.00 72.50 71.22 1gqi s THR 77 CO 0.00 -0.26 2.13 -0.65 -0.54 0.00 0.00 174.62 175.31 1gqi h PRO 78 N 1.64 0.00 0.00 3.99 0.11 -1.80 0.03 132.00 135.97 1gqi h PRO 78 Ca -0.44 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 1gqi h PRO 78 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1gqi h PRO 78 CO 0.62 0.00 -0.66 -0.44 -0.21 0.00 0.00 178.00 177.31 1gqi h ASP 79 N 0.00 0.00 -0.00 -2.05 3.32 -1.91 -3.36 116.42 112.42 1gqi h ASP 79 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1gqi h ASP 79 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1gqi h ASP 79 CO -0.00 0.66 -0.04 -0.46 -1.72 0.00 0.00 179.24 177.69 1gqi n ASN 80 N -3.52 1.08 -3.62 6.45 0.23 -0.69 -4.90 115.26 110.30 1gqi n ASN 80 Ca -0.00 -1.04 -0.29 0.00 -0.53 0.00 0.00 54.58 52.72 1gqi n ASN 80 Cb 0.71 0.22 -0.15 0.00 -2.08 0.00 0.00 39.78 38.47 1gqi n ASN 80 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1gqi s SER 81 N -0.56 3.57 0.52 0.53 0.15 -0.09 -3.69 113.70 114.14 1gqi s SER 81 Ca 0.04 -1.32 0.26 0.00 0.70 0.00 0.00 55.95 55.63 1gqi s SER 81 Cb 0.03 -0.52 1.39 0.00 -1.71 0.00 0.00 66.02 65.21 1gqi s SER 81 CO 0.07 -0.42 1.95 -0.65 1.20 0.00 0.00 173.24 175.39 1gqi h PRO 82 N 8.30 0.04 -0.51 5.44 0.11 -1.84 -1.19 132.00 142.36 1gqi h PRO 82 Ca -0.17 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.90 1gqi h PRO 82 Cb 1.03 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1gqi h PRO 82 CO 0.43 0.03 0.17 -0.07 -0.21 0.00 0.00 178.00 178.35 1gqi h LEU 83 N 0.05 0.72 -0.45 2.35 3.38 -1.94 -0.33 115.31 119.09 1gqi h LEU 83 Ca 0.33 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1gqi h LEU 83 Cb 1.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1gqi h LEU 83 CO -0.02 0.72 -0.07 0.40 0.09 0.00 0.00 178.44 179.57 1gqi h ILE 84 N 0.68 1.27 -0.82 1.22 1.08 -1.58 -2.80 117.51 116.55 1gqi h ILE 84 Ca 0.16 -1.17 0.04 0.00 -0.39 0.00 0.00 64.86 63.51 1gqi h ILE 84 Cb 0.25 1.10 -0.05 0.00 -3.07 0.00 0.00 36.82 35.05 1gqi h ILE 84 CO -0.01 0.40 0.54 0.00 -0.69 0.00 0.00 178.15 178.39 1gqi h ALA 85 N 0.89 1.53 0.00 1.87 0.00 -1.03 -2.23 119.26 120.29 1gqi h ALA 85 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gqi h ALA 85 Cb 0.60 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1gqi h ALA 85 CO 0.04 0.37 -0.01 0.66 0.00 0.00 0.00 179.25 180.31 1gqi h SER 86 N 0.98 0.00 0.74 0.00 4.64 -0.78 -0.95 113.55 118.19 1gqi h SER 86 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1gqi h SER 86 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1gqi h SER 86 CO -0.11 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.04 1gqi n LEU 87 N -3.15 0.00 -3.88 5.97 4.77 -0.84 -4.93 117.00 114.94 1gqi n LEU 87 Ca -0.02 0.43 -0.37 0.00 -0.03 0.00 0.00 56.01 56.02 1gqi n LEU 87 Cb 0.14 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1gqi n LEU 87 CO 0.23 -0.06 -0.14 0.59 -1.33 0.00 0.00 177.39 176.68 1gqi n ASN 88 N -1.43 -4.20 0.20 -1.43 4.13 -0.36 -4.86 115.26 107.31 1gqi n ASN 88 Ca 0.08 -1.14 0.05 0.00 1.68 0.00 0.00 54.58 55.26 1gqi n ASN 88 Cb 0.27 -2.63 0.43 0.00 -1.54 0.00 0.00 39.78 36.31 1gqi n ASN 88 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1gqi h LEU 89 N -2.18 0.00 0.00 3.41 3.38 -1.84 -3.47 115.31 114.61 1gqi h LEU 89 Ca -0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1gqi h LEU 89 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1gqi h LEU 89 CO 0.52 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.98 1gqi n GLY 90 N -0.34 3.49 0.37 0.83 0.00 -1.26 -1.66 105.19 106.62 1gqi n GLY 90 Ca -0.01 0.06 0.19 0.00 0.00 0.00 0.00 46.02 46.26 1gqi n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gqi h GLU 91 N 0.00 0.00 -0.79 1.61 5.08 -1.99 0.07 114.58 118.56 1gqi h GLU 91 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1gqi h GLU 91 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1gqi h GLU 91 CO 0.00 0.00 0.42 0.00 -1.00 0.00 0.00 179.01 178.43 1gqi h ARG 92 N 0.00 1.11 0.01 2.33 3.08 -1.70 -2.66 114.38 116.55 1gqi h ARG 92 Ca 0.16 -0.14 -0.22 0.00 0.07 0.00 0.00 59.98 59.85 1gqi h ARG 92 Cb 0.85 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1gqi h ARG 92 CO -0.00 0.83 -1.11 -0.07 -1.07 0.00 0.00 179.97 178.55 1gqi h LEU 93 N 1.10 0.02 -1.07 3.04 3.38 -1.13 -3.34 115.31 117.31 1gqi h LEU 93 Ca 0.28 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.29 1gqi h LEU 93 Cb 0.06 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1gqi h LEU 93 CO -0.04 1.02 0.62 1.56 0.09 0.00 0.00 178.44 181.69 1gqi h GLN 94 N 0.00 1.06 0.00 1.13 4.20 -1.03 -1.01 115.11 119.46 1gqi h GLN 94 Ca -0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1gqi h GLN 94 Cb 1.81 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 29.36 1gqi h GLN 94 CO 0.13 0.70 0.00 0.00 -0.67 0.00 0.00 178.83 178.99 1gqi n ALA 95 N -2.38 1.47 0.29 3.87 0.00 -1.09 -2.70 120.51 119.97 1gqi n ALA 95 Ca 0.15 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.80 1gqi n ALA 95 Cb 0.21 -1.33 0.15 0.00 0.00 0.00 0.00 19.45 18.49 1gqi n ALA 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1gqi h LEU 96 N 0.00 0.00 0.00 0.00 3.38 -1.36 -3.47 115.31 113.85 1gqi h LEU 96 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1gqi h LEU 96 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1gqi h LEU 96 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1gqi n GLY 97 N 1.19 1.02 0.18 0.83 0.00 -1.10 -1.30 105.19 106.01 1gqi n GLY 97 Ca 0.03 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.57 1gqi n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqi h ALA 98 N -0.92 1.00 0.00 4.61 0.00 -1.95 -3.37 119.26 118.62 1gqi h ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gqi h ALA 98 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gqi h ALA 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 1gqi n GLU 99 N -2.79 1.86 -2.05 0.00 1.02 -1.25 -4.47 120.64 112.97 1gqi n GLU 99 Ca 0.05 -0.12 -0.28 0.00 -0.02 0.00 0.00 57.16 56.79 1gqi n GLU 99 Cb 0.49 -0.49 0.11 0.00 -0.02 0.00 0.00 31.44 31.52 1gqi n GLU 99 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1gqi s GLY 100 N -0.30 1.68 0.19 0.62 0.00 -0.42 -4.21 107.32 104.87 1gqi s GLY 100 Ca 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 44.72 43.63 1gqi s GLY 100 CO 0.00 -0.40 0.44 -2.52 0.00 0.00 0.00 173.10 170.62 1gqi s TYR 101 N -3.53 0.08 -0.08 1.90 -0.85 -0.37 -4.33 117.35 110.18 1gqi s TYR 101 Ca 0.65 -0.43 0.04 0.00 -0.52 0.00 0.00 57.07 56.80 1gqi s TYR 101 Cb -0.09 0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.49 1gqi s TYR 101 CO 0.48 -0.86 -0.19 -1.17 -1.52 0.00 0.00 175.55 172.30 1gqi s LEU 102 N -2.91 1.92 -0.18 -3.49 2.96 0.44 -1.59 118.68 115.82 1gqi s LEU 102 Ca 0.12 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1gqi s LEU 102 Cb 0.00 -1.16 -0.00 0.00 0.50 0.00 0.00 46.19 45.53 1gqi s LEU 102 CO -0.01 0.12 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.27 1gqi s LEU 103 N 0.38 2.64 -0.18 -0.68 1.43 0.26 -1.04 118.68 121.49 1gqi s LEU 103 Ca -0.15 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 1gqi s LEU 103 Cb -0.16 -1.63 0.06 0.00 0.03 0.00 0.00 46.19 44.48 1gqi s LEU 103 CO 0.06 0.04 0.46 -0.70 0.23 0.00 0.00 176.35 176.44 1gqi s GLU 104 N 1.09 0.48 -0.12 1.70 2.12 -0.83 -1.02 118.70 122.13 1gqi s GLU 104 Ca 0.00 0.79 -0.28 0.00 0.36 0.00 0.00 54.97 55.84 1gqi s GLU 104 Cb -0.15 0.09 -0.01 0.00 0.26 0.00 0.00 34.13 34.32 1gqi s GLU 104 CO -0.03 -0.13 0.94 -1.14 -0.54 0.00 0.00 175.26 174.37 1gqi s GLN 105 N 1.04 4.39 0.00 4.30 0.74 0.07 -0.60 119.66 129.60 1gqi s GLN 105 Ca -0.06 1.26 0.00 0.00 0.05 0.00 0.00 55.36 56.61 1gqi s GLN 105 Cb -0.06 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.50 1gqi s GLN 105 CO -0.09 -0.29 0.00 -2.37 -0.55 0.00 0.00 175.29 171.99 1gqi n THR 106 N 4.54 0.00 -4.22 -0.34 5.66 -0.01 -4.80 114.28 115.11 1gqi n THR 106 Ca 0.07 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.90 1gqi n THR 106 Cb 0.49 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.13 1gqi n THR 106 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1gqi s ARG 107 N 0.63 0.62 -0.11 1.09 1.81 -1.26 -1.66 118.95 120.07 1gqi s ARG 107 Ca 0.00 -0.47 -0.01 0.00 -1.72 0.00 0.00 55.73 53.53 1gqi s ARG 107 Cb 0.00 -0.55 0.03 0.00 -0.45 0.00 0.00 34.95 33.98 1gqi s ARG 107 CO 0.00 0.14 -0.04 0.42 -0.68 0.00 0.00 175.30 175.14 1gqi s ILE 108 N -0.60 0.75 -1.30 1.52 1.01 -0.65 -4.80 121.20 117.13 1gqi s ILE 108 Ca -0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 1gqi s ILE 108 Cb -0.05 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.56 1gqi s ILE 108 CO 0.00 0.28 0.12 -0.46 0.00 0.00 0.00 174.94 174.88 1gqi n ASN 109 N 5.02 -0.04 0.00 3.58 0.23 -1.26 -0.46 115.26 122.33 1gqi n ASN 109 Ca -0.10 -1.13 0.00 0.00 -0.53 0.00 0.00 54.58 52.82 1gqi n ASN 109 Cb 0.50 -1.39 0.00 0.00 -2.08 0.00 0.00 39.78 36.81 1gqi n ASN 109 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1gqi n LYS 110 N -4.23 0.00 -2.92 -3.83 4.81 -1.26 -4.99 118.16 105.74 1gqi n LYS 110 Ca -0.25 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.80 1gqi n LYS 110 Cb 0.59 -1.85 -0.06 0.00 0.02 0.00 0.00 35.03 33.73 1gqi n LYS 110 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1gqi s ARG 111 N -0.01 4.63 0.00 1.64 3.00 0.39 -5.02 118.95 123.58 1gqi s ARG 111 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 55.73 56.67 1gqi s ARG 111 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 34.95 31.68 1gqi s ARG 111 CO 0.00 0.54 1.09 -1.01 0.00 0.00 0.00 175.30 175.91 1gqi s HIS 112 N -1.19 3.51 0.10 -0.53 3.76 -1.26 -1.63 115.29 118.04 1gqi s HIS 112 Ca 0.38 1.49 -0.03 0.00 -0.15 0.00 0.00 55.06 56.75 1gqi s HIS 112 Cb -0.23 -3.27 -0.03 0.00 1.11 0.00 0.00 32.58 30.16 1gqi s HIS 112 CO 0.27 -0.63 0.06 0.14 -0.85 0.00 0.00 174.74 173.73 1gqi s VAL 113 N 1.30 0.15 -0.09 -0.90 -7.23 -0.66 -0.44 120.40 112.53 1gqi s VAL 113 Ca 0.54 -1.73 0.04 0.00 -1.81 0.00 0.00 61.98 59.03 1gqi s VAL 113 Cb -0.24 -1.73 0.00 0.00 0.56 0.00 0.00 36.38 34.98 1gqi s VAL 113 CO 0.26 -0.68 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.46 1gqi s VAL 114 N -3.97 1.87 -0.01 1.32 1.01 -0.29 -0.83 120.40 119.51 1gqi s VAL 114 Ca 0.14 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1gqi s VAL 114 Cb 0.07 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1gqi s VAL 114 CO -0.05 0.52 0.00 0.27 0.00 0.00 0.00 175.10 175.85 1gqi s ILE 115 N 0.37 4.19 -0.33 2.22 -4.36 0.23 -0.74 121.20 122.78 1gqi s ILE 115 Ca -0.17 -0.57 0.01 0.00 -0.26 0.00 0.00 60.65 59.66 1gqi s ILE 115 Cb -0.17 -2.87 0.09 0.00 1.25 0.00 0.00 42.46 40.76 1gqi s ILE 115 CO 0.08 0.39 0.05 -0.69 0.24 0.00 0.00 174.94 175.00 1gqi s VAL 116 N -1.08 2.64 0.07 8.37 1.01 -0.22 -1.96 120.40 129.24 1gqi s VAL 116 Ca 0.19 -1.96 0.10 0.00 0.00 0.00 0.00 61.98 60.31 1gqi s VAL 116 Cb -0.12 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1gqi s VAL 116 CO 0.10 -0.42 -0.26 0.00 0.00 0.00 0.00 175.10 174.52 1gqi s ALA 117 N 1.06 2.25 0.27 5.51 0.00 -0.21 -1.55 121.76 129.09 1gqi s ALA 117 Ca 0.03 -1.31 -0.17 0.00 0.00 0.00 0.00 51.96 50.51 1gqi s ALA 117 Cb -0.20 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.50 1gqi s ALA 117 CO -0.05 0.52 0.63 0.00 0.00 0.00 0.00 175.76 176.86 1gqi s ALA 118 N -0.89 -0.79 0.07 0.00 0.00 -1.07 -0.42 121.76 118.66 1gqi s ALA 118 Ca 0.12 -0.57 0.09 0.00 0.00 0.00 0.00 51.96 51.60 1gqi s ALA 118 Cb -0.10 0.93 -0.22 0.00 0.00 0.00 0.00 23.12 23.73 1gqi s ALA 118 CO 0.03 -0.96 1.08 -0.91 0.00 0.00 0.00 175.76 175.00 1gqi h ASN 119 N 2.10 0.00 -2.28 0.00 2.35 -1.77 -3.37 115.58 112.61 1gqi h ASN 119 Ca -0.22 -0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 54.91 1gqi h ASN 119 Cb 1.25 -0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.48 1gqi h ASN 119 CO 0.29 1.00 -0.75 -0.94 -1.65 0.00 0.00 177.43 175.38 1gqi s SER 120 N -6.51 3.67 0.29 5.81 1.04 -1.26 -4.86 113.70 111.87 1gqi s SER 120 Ca -0.01 -0.98 -0.02 0.00 0.48 0.00 0.00 55.95 55.42 1gqi s SER 120 Cb 0.09 -0.35 0.42 0.00 0.10 0.00 0.00 66.02 66.28 1gqi s SER 120 CO 0.82 0.04 1.87 0.44 0.98 0.00 0.00 173.24 177.39 1gqi h ASP 121 N 2.30 0.83 -0.02 7.02 3.32 -1.91 -2.32 116.42 125.63 1gqi h ASP 121 Ca -0.41 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 1gqi h ASP 121 Cb 1.26 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1gqi h ASP 121 CO 0.59 0.74 -0.20 1.62 -1.72 0.00 0.00 179.24 180.27 1gqi h VAL 122 N 0.90 1.24 -0.92 -1.35 3.04 -1.94 -1.22 116.25 116.01 1gqi h VAL 122 Ca 0.21 -1.12 -0.00 0.00 -1.01 0.00 0.00 66.70 64.78 1gqi h VAL 122 Cb 0.16 1.30 -0.04 0.00 -2.01 0.00 0.00 31.29 30.70 1gqi h VAL 122 CO -0.02 0.35 0.55 1.23 -1.01 0.00 0.00 177.57 178.68 1gqi h GLY 123 N 0.96 1.33 1.02 3.17 0.00 -1.62 0.10 103.07 108.04 1gqi h GLY 123 Ca 0.06 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1gqi h GLY 123 CO 0.04 0.53 0.33 -2.08 0.00 0.00 0.00 176.54 175.36 1gqi h VAL 124 N 1.26 1.24 0.05 4.60 2.07 -0.82 -0.02 116.25 124.63 1gqi h VAL 124 Ca 0.33 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1gqi h VAL 124 Cb -0.06 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1gqi h VAL 124 CO -0.06 0.29 -0.04 0.25 0.02 0.00 0.00 177.57 178.03 1gqi h LEU 125 N 1.03 -0.10 -0.67 2.57 5.85 -0.40 0.47 115.31 124.05 1gqi h LEU 125 Ca 0.25 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1gqi h LEU 125 Cb 0.15 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1gqi h LEU 125 CO -0.03 -0.06 0.41 1.88 -0.34 0.00 0.00 178.44 180.30 1gqi h TYR 126 N -0.10 0.89 -0.56 1.25 0.05 -0.61 -1.43 116.97 116.46 1gqi h TYR 126 Ca -0.00 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1gqi h TYR 126 Cb 0.09 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 1gqi h TYR 126 CO -0.09 0.60 0.23 0.78 -1.05 0.00 0.00 178.16 178.63 1gqi h GLY 127 N 0.92 0.86 0.97 3.88 0.00 -0.79 -1.62 103.07 107.29 1gqi h GLY 127 Ca 0.24 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1gqi h GLY 127 CO -0.05 0.40 0.04 1.76 0.00 0.00 0.00 176.54 178.70 1gqi h SER 128 N 0.80 0.75 -0.58 0.19 0.02 -0.24 0.86 113.55 115.34 1gqi h SER 128 Ca 0.19 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 1gqi h SER 128 Cb 0.14 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1gqi h SER 128 CO -0.02 0.84 0.12 -0.26 -1.14 0.00 0.00 176.83 176.38 1gqi h PHE 129 N 0.63 1.02 -0.60 3.45 0.04 -0.98 -1.51 116.94 118.98 1gqi h PHE 129 Ca 0.13 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1gqi h PHE 129 Cb 0.43 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 1gqi h PHE 129 CO 0.03 0.86 0.21 1.25 -0.60 0.00 0.00 178.31 180.05 1gqi h HIS 130 N 0.93 0.96 -0.44 -0.55 2.76 -0.88 -0.21 115.15 117.71 1gqi h HIS 130 Ca 0.19 -0.09 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1gqi h HIS 130 Cb 0.37 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.00 1gqi h HIS 130 CO 0.02 0.78 0.20 1.25 -1.30 0.00 0.00 177.93 178.88 1gqi h LEU 131 N 0.85 0.26 -0.67 0.26 7.12 -0.57 0.55 115.31 123.10 1gqi h LEU 131 Ca 0.20 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.24 1gqi h LEU 131 Cb 0.26 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.35 1gqi h LEU 131 CO -0.01 0.19 0.40 -0.07 -0.13 0.00 0.00 178.44 178.81 1gqi h LEU 132 N 0.39 0.82 -1.24 2.25 3.38 -1.06 -2.30 115.31 117.55 1gqi h LEU 132 Ca 0.20 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1gqi h LEU 132 Cb 0.14 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1gqi h LEU 132 CO -0.17 0.65 0.53 -0.09 0.09 0.00 0.00 178.44 179.46 1gqi h ARG 133 N 0.92 0.95 -0.54 1.13 2.43 0.05 0.16 114.38 119.48 1gqi h ARG 133 Ca 0.24 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1gqi h ARG 133 Cb -0.01 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 1gqi h ARG 133 CO -0.04 0.63 0.33 -0.07 -1.51 0.00 0.00 179.97 179.30 1gqi h LEU 134 N 0.97 0.64 -0.27 3.80 3.38 -0.38 -0.91 115.31 122.55 1gqi h LEU 134 Ca 0.33 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 1gqi h LEU 134 Cb 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1gqi h LEU 134 CO -0.10 0.50 -0.09 0.40 0.09 0.00 0.00 178.44 179.24 1gqi h ILE 135 N 0.72 1.29 -0.19 1.22 2.04 -1.01 0.70 117.51 122.29 1gqi h ILE 135 Ca 0.19 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 64.95 1gqi h ILE 135 Cb -0.03 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1gqi h ILE 135 CO -0.04 0.36 0.13 1.56 0.00 0.00 0.00 178.15 180.16 1gqi h GLN 136 N 0.28 0.09 -0.69 2.37 4.20 -0.45 -1.30 115.11 119.62 1gqi h GLN 136 Ca 0.06 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1gqi h GLN 136 Cb 0.58 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1gqi h GLN 136 CO 0.03 0.06 0.00 0.25 -0.67 0.00 0.00 178.83 178.50 1gqi n THR 137 N -4.50 1.26 -3.59 -0.54 -2.24 -0.37 -4.46 114.28 99.84 1gqi n THR 137 Ca 0.01 -1.02 -0.23 0.00 -2.27 0.00 0.00 64.05 60.54 1gqi n THR 137 Cb 0.20 0.33 0.08 0.00 -2.10 0.00 0.00 70.33 68.84 1gqi n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gqi n GLN 138 N 1.39 -7.60 -3.40 -0.78 6.02 -0.49 -5.00 117.38 107.52 1gqi n GLN 138 Ca 0.24 0.82 -0.34 0.00 -0.01 0.00 0.00 57.00 57.71 1gqi n GLN 138 Cb 0.70 -5.85 -0.06 0.00 1.02 0.00 0.00 30.24 26.05 1gqi n GLN 138 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1gqi s HIS 139 N -3.33 3.56 0.37 1.08 3.76 0.20 -5.04 115.29 115.89 1gqi s HIS 139 Ca 0.49 0.97 -0.25 0.00 -0.15 0.00 0.00 55.06 56.12 1gqi s HIS 139 Cb -0.22 -2.31 -0.09 0.00 1.11 0.00 0.00 32.58 31.07 1gqi s HIS 139 CO 0.74 0.41 1.06 0.00 -0.85 0.00 0.00 174.74 176.09 1gqi s ALA 140 N -1.54 3.16 -0.63 -1.40 0.00 -1.26 -4.59 121.76 115.50 1gqi s ALA 140 Ca 0.39 0.74 0.22 0.00 0.00 0.00 0.00 51.96 53.32 1gqi s ALA 140 Cb -0.14 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 1gqi s ALA 140 CO 0.19 -0.20 0.92 1.28 0.00 0.00 0.00 175.76 177.96 1gqi n LEU 141 N 0.22 0.61 -4.71 0.00 4.32 -1.26 -4.78 117.00 111.40 1gqi n LEU 141 Ca 0.04 -0.13 -0.42 0.00 -0.02 0.00 0.00 56.01 55.47 1gqi n LEU 141 Cb 0.48 -0.06 -0.03 0.00 -1.62 0.00 0.00 43.42 42.19 1gqi n LEU 141 CO 0.47 0.09 1.36 -0.70 -1.22 0.00 0.00 177.39 177.39 1gqi s GLU 142 N -3.19 4.16 -0.65 3.23 2.56 -1.26 -1.34 118.70 122.21 1gqi s GLU 142 Ca 0.03 2.50 0.00 0.00 0.00 0.00 0.00 54.97 57.50 1gqi s GLU 142 Cb 0.15 -3.33 0.00 0.00 2.00 0.00 0.00 34.13 32.94 1gqi s GLU 142 CO 0.83 -0.74 0.00 1.63 -0.56 0.00 0.00 175.26 176.42 1gqi n LYS 143 N 4.75 -0.81 -1.69 4.30 4.76 -1.26 -4.94 118.16 123.27 1gqi n LYS 143 Ca 0.16 0.61 -0.44 0.00 -2.87 0.00 0.00 58.31 55.77 1gqi n LYS 143 Cb 0.38 -4.46 -0.03 0.00 -1.84 0.00 0.00 35.03 29.08 1gqi n LYS 143 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1gqi n LEU 144 N -0.70 3.36 -3.17 -0.35 7.94 -0.45 -4.83 117.00 118.81 1gqi n LEU 144 Ca -0.06 1.12 0.03 0.00 -1.11 0.00 0.00 56.01 55.98 1gqi n LEU 144 Cb 0.30 -1.46 -0.01 0.00 0.53 0.00 0.00 43.42 42.78 1gqi n LEU 144 CO 0.09 -0.28 0.09 -0.55 -1.11 0.00 0.00 177.39 175.63 1gqi s SER 145 N 0.58 -1.43 -0.00 1.96 0.15 -1.25 -0.75 113.70 112.96 1gqi s SER 145 Ca 0.71 0.18 -0.12 0.00 0.70 0.00 0.00 55.95 57.42 1gqi s SER 145 Cb -0.62 1.96 0.01 0.00 -1.71 0.00 0.00 66.02 65.66 1gqi s SER 145 CO 0.45 -0.30 0.25 -1.48 1.20 0.00 0.00 173.24 173.35 1gqi s LEU 146 N 2.80 1.12 0.12 3.45 0.05 -0.19 -5.01 118.68 121.03 1gqi s LEU 146 Ca 0.11 -0.06 0.03 0.00 0.05 0.00 0.00 54.13 54.26 1gqi s LEU 146 Cb -0.11 1.06 -0.04 0.00 -2.05 0.00 0.00 46.19 45.05 1gqi s LEU 146 CO -0.26 -0.44 -0.09 -0.44 -0.55 0.00 0.00 176.35 174.57 1gqi s SER 147 N -1.44 1.50 -0.11 1.48 0.01 -1.26 -0.58 113.70 113.30 1gqi s SER 147 Ca -0.13 -0.99 -0.25 0.00 1.31 0.00 0.00 55.95 55.89 1gqi s SER 147 Cb -0.05 0.03 0.06 0.00 0.21 0.00 0.00 66.02 66.27 1gqi s SER 147 CO 0.02 -0.38 0.59 -0.55 0.41 0.00 0.00 173.24 173.34 1gqi s SER 148 N -3.06 -0.57 0.00 2.44 0.15 -0.62 -5.01 113.70 107.03 1gqi s SER 148 Ca 0.14 0.81 -0.01 0.00 0.70 0.00 0.00 55.95 57.59 1gqi s SER 148 Cb 0.03 0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 65.11 1gqi s SER 148 CO -0.02 -0.43 0.01 0.00 1.20 0.00 0.00 173.24 174.00 1gqi s ALA 149 N -0.63 -0.01 0.46 5.45 0.00 -1.26 -1.24 121.76 124.53 1gqi s ALA 149 Ca -0.07 -0.19 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 1gqi s ALA 149 Cb -0.03 0.04 -0.07 0.00 0.00 0.00 0.00 23.12 23.06 1gqi s ALA 149 CO 0.05 -0.08 1.20 -1.25 0.00 0.00 0.00 175.76 175.68 1gqi s PRO 150 N -0.63 3.72 0.00 0.00 0.04 -1.26 -4.91 135.00 131.96 1gqi s PRO 150 Ca -0.07 1.86 0.24 0.00 0.04 0.00 0.00 61.00 63.07 1gqi s PRO 150 Cb -0.04 -2.43 0.36 0.00 0.04 0.00 0.00 34.50 32.42 1gqi s PRO 150 CO -0.00 -0.61 1.31 0.54 0.04 0.00 0.00 177.00 178.28 1gqi n ARG 151 N -0.47 0.02 -4.45 4.56 1.74 0.24 -4.88 116.66 113.42 1gqi n ARG 151 Ca 0.07 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.93 1gqi n ARG 151 Cb 0.47 -1.51 -0.14 0.00 -1.02 0.00 0.00 32.46 30.27 1gqi n ARG 151 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gqi s LEU 152 N -3.06 2.17 -0.06 0.55 1.43 -1.26 -4.66 118.68 113.79 1gqi s LEU 152 Ca 0.10 -0.49 -0.24 0.00 -1.03 0.00 0.00 54.13 52.47 1gqi s LEU 152 Cb 0.17 -0.74 -0.25 0.00 0.03 0.00 0.00 46.19 45.40 1gqi s LEU 152 CO 0.73 0.08 0.97 -0.61 0.23 0.00 0.00 176.35 177.76 1gqi h GLN 153 N 4.88 0.20 -4.65 1.70 4.15 -1.82 -3.43 115.11 116.14 1gqi h GLN 153 Ca -0.40 -0.24 -0.70 0.00 0.77 0.00 0.00 58.65 58.08 1gqi h GLN 153 Cb 1.17 0.08 -0.28 0.00 0.21 0.00 0.00 27.48 28.66 1gqi h GLN 153 CO 0.44 1.01 -0.58 -1.01 -1.93 0.00 0.00 178.83 176.76 1gqi s HIS 154 N -2.87 3.26 -0.48 3.99 3.76 0.07 -4.98 115.29 118.04 1gqi s HIS 154 Ca -0.16 -1.36 0.01 0.00 -0.15 0.00 0.00 55.06 53.41 1gqi s HIS 154 Cb 0.01 -2.35 0.13 0.00 1.11 0.00 0.00 32.58 31.47 1gqi s HIS 154 CO 0.76 -0.72 0.24 1.03 -0.85 0.00 0.00 174.74 175.20 1gqi s ARG 155 N 1.43 2.00 0.14 1.40 0.52 -1.26 -1.45 118.95 121.73 1gqi s ARG 155 Ca -0.01 -2.28 0.08 0.00 -0.52 0.00 0.00 55.73 53.00 1gqi s ARG 155 Cb -0.20 -3.44 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 1gqi s ARG 155 CO 0.03 -1.08 -0.19 0.54 0.02 0.00 0.00 175.30 174.62 1gqi s VAL 156 N 0.30 1.77 0.14 3.52 0.11 -0.43 -0.73 120.40 125.08 1gqi s VAL 156 Ca 0.14 -1.77 0.05 0.00 -2.93 0.00 0.00 61.98 57.48 1gqi s VAL 156 Cb -0.22 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 32.86 1gqi s VAL 156 CO -0.03 -0.22 0.05 0.68 -3.33 0.00 0.00 175.10 172.25 1gqi s VAL 157 N -1.70 4.13 0.00 2.04 -7.23 -0.64 -1.39 120.40 115.61 1gqi s VAL 157 Ca 0.12 -1.13 0.07 0.00 -1.81 0.00 0.00 61.98 59.23 1gqi s VAL 157 Cb -0.07 -3.05 -0.02 0.00 0.56 0.00 0.00 36.38 33.80 1gqi s VAL 157 CO 0.06 -0.02 -0.21 0.20 -0.31 0.00 0.00 175.10 174.81 1gqi s ASN 158 N -2.76 2.52 -0.20 4.85 0.01 0.18 -0.86 114.94 118.68 1gqi s ASN 158 Ca 0.28 -0.43 0.01 0.00 -0.71 0.00 0.00 52.86 52.01 1gqi s ASN 158 Cb -0.10 -0.26 0.04 0.00 0.41 0.00 0.00 41.25 41.34 1gqi s ASN 158 CO 0.20 0.24 -0.11 -1.00 -1.51 0.00 0.00 177.10 174.92 1gqi s HIS 159 N -0.59 2.45 -1.15 2.20 3.76 -0.30 -1.74 115.29 119.92 1gqi s HIS 159 Ca 0.08 -1.60 -0.07 0.00 -0.15 0.00 0.00 55.06 53.32 1gqi s HIS 159 Cb -0.08 -1.66 -0.05 0.00 1.11 0.00 0.00 32.58 31.90 1gqi s HIS 159 CO -0.00 -0.75 2.90 0.91 -0.85 0.00 0.00 174.74 176.95 1gqi n TRP 160 N 4.68 1.98 -3.58 1.40 8.01 -1.26 -3.12 117.44 125.55 1gqi n TRP 160 Ca -0.15 -2.64 -0.36 0.00 -1.31 0.00 0.00 57.50 53.04 1gqi n TRP 160 Cb 0.47 -2.05 -0.07 0.00 -2.01 0.00 0.00 31.31 27.65 1gqi n TRP 160 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1gqi s ASP 161 N 1.45 6.41 0.45 -0.99 1.11 -1.26 -1.16 116.67 122.67 1gqi s ASP 161 Ca 0.64 0.47 -0.08 0.00 0.18 0.00 0.00 52.55 53.77 1gqi s ASP 161 Cb 0.23 -2.17 -0.05 0.00 1.07 0.00 0.00 42.92 42.00 1gqi s ASP 161 CO -0.08 0.13 0.78 0.20 1.18 0.00 0.00 175.17 177.38 1gqi s ASN 162 N 0.36 6.38 0.52 0.27 0.01 -0.36 -1.00 114.94 121.11 1gqi s ASN 162 Ca 0.15 1.02 0.30 0.00 -0.71 0.00 0.00 52.86 53.63 1gqi s ASN 162 Cb -0.13 -2.28 1.26 0.00 0.41 0.00 0.00 41.25 40.51 1gqi s ASN 162 CO 0.03 -0.50 1.95 -0.07 -1.51 0.00 0.00 177.10 177.00 1gqi h LEU 163 N 0.69 0.00 0.00 0.60 3.38 -1.98 0.27 115.31 118.27 1gqi h LEU 163 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1gqi h LEU 163 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1gqi h LEU 163 CO 0.63 0.08 0.00 -0.46 0.09 0.00 0.00 178.44 178.78 1gqi n ASN 164 N -3.23 0.00 0.00 -0.43 6.94 -1.26 -4.87 115.26 112.41 1gqi n ASN 164 Ca 0.00 0.27 0.00 0.00 -0.02 0.00 0.00 54.58 54.83 1gqi n ASN 164 Cb 0.33 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1gqi n ASN 164 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1gqi n ARG 165 N -1.38 0.00 -2.80 -3.83 1.74 0.08 -5.00 116.66 105.47 1gqi n ARG 165 Ca 0.05 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.72 1gqi n ARG 165 Cb 0.14 -1.81 -0.04 0.00 -1.02 0.00 0.00 32.46 29.73 1gqi n ARG 165 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gqi s VAL 166 N -2.76 4.65 -0.23 1.55 1.01 -1.26 0.12 120.40 123.48 1gqi s VAL 166 Ca 0.00 1.94 -0.11 0.00 0.00 0.00 0.00 61.98 63.80 1gqi s VAL 166 Cb 0.00 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1gqi s VAL 166 CO 0.00 0.30 0.20 -0.69 0.00 0.00 0.00 175.10 174.91 1gqi s VAL 167 N 0.21 5.33 -0.13 2.92 1.01 -1.26 -1.23 120.40 127.25 1gqi s VAL 167 Ca 0.45 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 1gqi s VAL 167 Cb -0.22 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1gqi s VAL 167 CO 0.27 0.33 1.17 -0.70 0.00 0.00 0.00 175.10 176.17 1gqi s GLU 168 N 1.06 4.30 -1.15 2.72 2.12 -0.31 -2.44 118.70 125.01 1gqi s GLU 168 Ca 0.10 1.57 -0.01 0.00 0.36 0.00 0.00 54.97 56.99 1gqi s GLU 168 Cb -0.14 -3.64 -0.01 0.00 0.26 0.00 0.00 34.13 30.61 1gqi s GLU 168 CO 0.05 -0.55 0.96 0.54 -0.54 0.00 0.00 175.26 175.72 1gqi n ARG 169 N 5.85 -5.91 -4.02 4.30 5.12 -1.26 -4.66 116.66 116.08 1gqi n ARG 169 Ca 0.12 0.83 -0.31 0.00 -1.93 0.00 0.00 57.85 56.55 1gqi n ARG 169 Cb 0.46 -5.76 -0.16 0.00 -1.16 0.00 0.00 32.46 25.84 1gqi n ARG 169 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1gqi s GLY 170 N -4.20 1.40 -0.09 -0.13 0.00 -1.02 -4.82 107.32 98.45 1gqi s GLY 170 Ca 0.05 -1.41 0.12 0.00 0.00 0.00 0.00 44.72 43.49 1gqi s GLY 170 CO 0.71 0.67 1.22 -1.72 0.00 0.00 0.00 173.10 173.98 1gqi n TYR 171 N 4.60 0.37 -1.58 1.90 4.01 -1.26 -4.55 117.16 120.65 1gqi n TYR 171 Ca -0.15 -0.75 0.05 0.00 -0.16 0.00 0.00 57.90 56.89 1gqi n TYR 171 Cb 0.45 -0.15 0.07 0.00 -0.31 0.00 0.00 39.34 39.40 1gqi n TYR 171 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gqi n ALA 172 N -0.55 2.20 0.00 -0.72 0.00 -1.26 -4.52 120.51 115.65 1gqi n ALA 172 Ca 0.13 -1.88 0.00 0.00 0.00 0.00 0.00 53.44 51.69 1gqi n ALA 172 Cb 0.58 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1gqi n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gqi n GLY 173 N -0.68 -1.03 3.79 0.00 0.00 -1.26 -1.72 105.19 104.30 1gqi n GLY 173 Ca 0.08 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 1gqi n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gqi s LEU 174 N 0.00 2.91 0.32 0.99 1.43 -1.26 -4.47 118.68 118.60 1gqi s LEU 174 Ca 0.00 1.61 -0.28 0.00 -1.03 0.00 0.00 54.13 54.43 1gqi s LEU 174 Cb 0.00 -4.34 -0.13 0.00 0.03 0.00 0.00 46.19 41.75 1gqi s LEU 174 CO 0.00 -1.84 1.14 -0.24 0.23 0.00 0.00 176.35 175.64 1gqi n SER 175 N -3.38 1.99 0.27 2.29 2.88 0.12 -0.87 113.62 116.91 1gqi n SER 175 Ca 0.08 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.93 1gqi n SER 175 Cb 0.54 -1.38 0.75 0.00 -0.75 0.00 0.00 64.21 63.37 1gqi n SER 175 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1gqi h LEU 176 N 2.23 0.00 -8.72 2.46 -0.00 -1.89 -3.43 115.31 105.96 1gqi h LEU 176 Ca -0.43 0.00 -0.60 0.00 -0.00 0.00 0.00 57.88 56.86 1gqi h LEU 176 Cb 1.31 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.87 1gqi h LEU 176 CO 0.61 0.09 0.60 0.26 -0.00 0.00 0.00 178.44 180.01 1gqi s TRP 177 N -4.40 2.97 -1.20 1.13 0.23 -1.26 -4.95 118.94 111.45 1gqi s TRP 177 Ca -0.04 0.52 -0.11 0.00 -2.03 0.00 0.00 56.10 54.44 1gqi s TRP 177 Cb 0.14 -3.89 0.20 0.00 0.03 0.00 0.00 33.47 29.96 1gqi s TRP 177 CO 0.59 -1.02 1.46 -3.47 0.96 0.00 0.00 176.95 175.47 1gqi n ASP 178 N 7.07 5.36 -0.19 2.95 2.03 -1.26 -4.85 116.55 127.66 1gqi n ASP 178 Ca 0.07 -3.05 0.11 0.00 0.52 0.00 0.00 54.79 52.44 1gqi n ASP 178 Cb 0.48 -1.49 0.42 0.00 -0.72 0.00 0.00 41.12 39.82 1gqi n ASP 178 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1gqi h TRP 179 N 6.63 0.66 0.00 -0.67 4.06 -1.92 -1.41 115.95 123.29 1gqi h TRP 179 Ca 0.30 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.26 1gqi h TRP 179 Cb 0.80 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 28.75 1gqi h TRP 179 CO 1.05 0.28 -0.01 0.78 -3.56 0.00 0.00 178.44 176.98 1gqi h GLY 180 N 0.59 0.00 -1.08 1.49 0.00 -1.96 -2.82 103.07 99.30 1gqi h GLY 180 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1gqi h GLY 180 CO -0.13 0.00 -0.08 -1.14 0.00 0.00 0.00 176.54 175.18 1gqi n SER 181 N -4.26 2.07 -4.87 0.19 3.41 -0.57 -4.97 113.62 104.61 1gqi n SER 181 Ca -0.03 -1.54 -0.31 0.00 -0.26 0.00 0.00 58.87 56.74 1gqi n SER 181 Cb 0.10 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.14 1gqi n SER 181 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gqi s LEU 182 N -1.46 3.94 0.00 1.04 1.43 -0.95 -0.84 118.68 121.84 1gqi s LEU 182 Ca 0.16 1.09 0.30 0.00 -1.03 0.00 0.00 54.13 54.65 1gqi s LEU 182 Cb 0.13 -3.93 1.44 0.00 0.03 0.00 0.00 46.19 43.86 1gqi s LEU 182 CO 0.24 -0.30 1.99 -0.81 0.23 0.00 0.00 176.35 177.70 1gqi n PRO 183 N -0.93 0.63 -0.32 1.29 -0.04 -1.26 -4.83 135.00 129.54 1gqi n PRO 183 Ca 0.02 -0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.34 1gqi n PRO 183 Cb 0.54 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.60 1gqi n PRO 183 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1gqi h ASN 184 N 0.27 0.96 -3.48 3.54 4.21 -1.88 -3.40 115.58 115.81 1gqi h ASN 184 Ca 0.00 -0.02 -0.72 0.00 1.21 0.00 0.00 56.30 56.77 1gqi h ASN 184 Cb 0.28 -0.23 -0.21 0.00 -1.12 0.00 0.00 38.32 37.04 1gqi h ASN 184 CO 0.00 0.68 -0.40 -0.47 -1.29 0.00 0.00 177.43 175.95 1gqi s TYR 185 N -6.11 3.24 -1.14 1.19 5.04 -0.02 -4.99 117.35 114.55 1gqi s TYR 185 Ca -0.13 -0.61 -0.13 0.00 -2.44 0.00 0.00 57.07 53.76 1gqi s TYR 185 Cb 0.17 -2.67 0.19 0.00 0.35 0.00 0.00 41.96 40.00 1gqi s TYR 185 CO 0.80 -0.62 1.30 -0.51 -1.34 0.00 0.00 175.55 175.18 1gqi s LEU 186 N 1.71 5.40 0.35 6.97 1.43 -1.26 -4.69 118.68 128.60 1gqi s LEU 186 Ca 0.05 -3.00 -0.29 0.00 -1.03 0.00 0.00 54.13 49.86 1gqi s LEU 186 Cb -0.19 -2.35 -0.11 0.00 0.03 0.00 0.00 46.19 43.57 1gqi s LEU 186 CO 0.10 -0.68 1.50 0.00 0.23 0.00 0.00 176.35 177.50 1gqi s ALA 187 N 1.03 3.61 0.47 4.21 0.00 -1.26 -4.89 121.76 124.93 1gqi s ALA 187 Ca 0.38 1.55 0.19 0.00 0.00 0.00 0.00 51.96 54.08 1gqi s ALA 187 Cb -0.05 -3.61 1.18 0.00 0.00 0.00 0.00 23.12 20.65 1gqi s ALA 187 CO -0.03 -1.01 1.96 -1.35 0.00 0.00 0.00 175.76 175.33 1gqi h PRO 188 N 3.45 0.25 0.00 0.00 0.11 -2.02 -1.72 132.00 132.07 1gqi h PRO 188 Ca -0.50 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1gqi h PRO 188 Cb 1.23 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1gqi h PRO 188 CO 0.68 0.16 -0.07 -0.09 -0.21 0.00 0.00 178.00 178.47 1gqi h ARG 189 N 0.25 0.00 -0.63 1.05 2.43 -1.99 -0.75 114.38 114.75 1gqi h ARG 189 Ca 0.31 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.40 1gqi h ARG 189 Cb 0.87 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 1gqi h ARG 189 CO -0.07 0.07 0.09 1.88 -1.51 0.00 0.00 179.97 180.43 1gqi h TYR 190 N 0.00 1.11 -0.36 2.20 0.05 -1.68 0.40 116.97 118.70 1gqi h TYR 190 Ca -0.00 -0.15 -0.14 0.00 0.05 0.00 0.00 58.73 58.48 1gqi h TYR 190 Cb 0.17 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 1gqi h TYR 190 CO 0.00 0.94 -0.35 1.15 -1.05 0.00 0.00 178.16 178.85 1gqi h THR 191 N 0.98 1.28 -0.53 -2.88 2.02 -1.28 -2.48 112.91 110.01 1gqi h THR 191 Ca 0.19 -1.52 -0.07 0.00 0.77 0.00 0.00 66.41 65.79 1gqi h THR 191 Cb 0.44 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1gqi h THR 191 CO 0.01 0.50 0.05 0.44 0.37 0.00 0.00 175.52 176.90 1gqi h ASP 192 N 0.69 0.83 -0.51 4.18 3.32 -0.92 0.10 116.42 124.10 1gqi h ASP 192 Ca 0.07 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 56.96 1gqi h ASP 192 Cb 0.91 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 1gqi h ASP 192 CO 0.08 0.86 0.29 0.22 -1.72 0.00 0.00 179.24 178.97 1gqi h TYR 193 N 0.82 0.53 -0.72 4.55 3.20 -0.88 -0.46 116.97 124.01 1gqi h TYR 193 Ca 0.16 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1gqi h TYR 193 Cb 0.42 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1gqi h TYR 193 CO 0.02 0.28 0.32 0.00 -1.64 0.00 0.00 178.16 177.14 1gqi h ALA 194 N 1.25 0.93 -0.34 1.82 0.00 -0.92 -2.19 119.26 119.82 1gqi h ALA 194 Ca 0.22 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1gqi h ALA 194 Cb 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1gqi h ALA 194 CO -0.12 0.52 0.21 0.00 0.00 0.00 0.00 179.25 179.85 1gqi h ARG 195 N 1.01 0.46 -0.08 0.00 3.08 -0.61 0.45 114.38 118.69 1gqi h ARG 195 Ca 0.24 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.28 1gqi h ARG 195 Cb 0.16 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1gqi h ARG 195 CO -0.03 0.34 -0.12 0.82 -1.07 0.00 0.00 179.97 179.91 1gqi h ILE 196 N 0.44 0.67 -0.18 2.04 2.04 -0.88 -0.25 117.51 121.39 1gqi h ILE 196 Ca 0.12 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.78 1gqi h ILE 196 Cb -0.00 0.67 0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1gqi h ILE 196 CO -0.02 0.00 -0.66 0.78 0.00 0.00 0.00 178.15 178.24 1gqi h ASN 197 N -0.17 0.90 0.16 1.72 2.35 -1.28 -2.95 115.58 116.32 1gqi h ASN 197 Ca 0.07 -0.60 -0.02 0.00 -0.55 0.00 0.00 56.30 55.20 1gqi h ASN 197 Cb 0.27 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1gqi h ASN 197 CO -0.18 1.35 -0.11 0.00 -1.65 0.00 0.00 177.43 176.84 1gqi h ALA 198 N 0.57 1.62 0.00 -0.83 0.00 -0.77 -1.32 119.26 118.53 1gqi h ALA 198 Ca -0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1gqi h ALA 198 Cb 1.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1gqi h ALA 198 CO 0.14 0.14 -0.00 0.66 0.00 0.00 0.00 179.25 180.18 1gqi h SER 199 N 0.00 0.00 -0.02 0.00 4.64 -0.85 -0.54 113.55 116.78 1gqi h SER 199 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gqi h SER 199 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1gqi h SER 199 CO 0.01 0.00 -0.24 0.18 -0.87 0.00 0.00 176.83 175.92 1gqi n LEU 200 N -3.12 2.13 0.00 5.97 4.77 -0.58 -4.82 117.00 121.36 1gqi n LEU 200 Ca -0.02 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 1gqi n LEU 200 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1gqi n LEU 200 CO 0.22 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1gqi n GLY 201 N 1.20 0.51 3.72 -0.72 0.00 -0.21 -4.49 105.19 105.20 1gqi n GLY 201 Ca 0.09 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1gqi n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqi s ILE 202 N -2.00 2.97 -0.05 -0.61 -1.09 -0.72 -4.84 121.20 114.86 1gqi s ILE 202 Ca 0.00 0.71 0.07 0.00 -2.23 0.00 0.00 60.65 59.19 1gqi s ILE 202 Cb 0.00 -3.45 0.10 0.00 -1.58 0.00 0.00 42.46 37.53 1gqi s ILE 202 CO 0.00 0.06 1.01 -0.46 -1.23 0.00 0.00 174.94 174.32 1gqi n ASN 203 N 3.73 1.83 -3.49 3.58 0.23 0.10 -4.19 115.26 117.05 1gqi n ASN 203 Ca 0.12 -2.30 -0.14 0.00 -0.53 0.00 0.00 54.58 51.73 1gqi n ASN 203 Cb 0.41 -0.16 -0.04 0.00 -2.08 0.00 0.00 39.78 37.90 1gqi n ASN 203 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1gqi s GLY 204 N -1.57 -0.55 -0.02 4.83 0.00 -1.13 -1.22 107.32 107.66 1gqi s GLY 204 Ca 0.11 1.08 -0.01 0.00 0.00 0.00 0.00 44.72 45.90 1gqi s GLY 204 CO 0.01 0.62 0.05 -0.51 0.00 0.00 0.00 173.10 173.26 1gqi s THR 205 N -2.30 -0.03 -0.35 0.90 -4.23 -0.64 -1.63 115.64 107.37 1gqi s THR 205 Ca -0.04 0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.47 1gqi s THR 205 Cb -0.01 -0.09 0.01 0.00 1.34 0.00 0.00 72.50 73.76 1gqi s THR 205 CO -0.01 0.04 0.18 -0.69 -0.54 0.00 0.00 174.62 173.61 1gqi s VAL 206 N 0.57 4.57 -1.16 2.29 1.01 -0.04 -0.88 120.40 126.76 1gqi s VAL 206 Ca -0.05 -0.69 0.25 0.00 0.00 0.00 0.00 61.98 61.49 1gqi s VAL 206 Cb -0.07 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.89 1gqi s VAL 206 CO -0.02 -0.12 1.41 2.30 0.00 0.00 0.00 175.10 178.68 1gqi n ILE 207 N 4.99 0.00 -4.25 2.22 -5.35 -1.20 -1.16 119.36 114.61 1gqi n ILE 207 Ca -0.13 -0.03 -0.18 0.00 -0.27 0.00 0.00 62.75 62.14 1gqi n ILE 207 Cb 0.47 0.33 -0.11 0.00 -1.74 0.00 0.00 39.64 38.59 1gqi n ILE 207 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1gqi s ASN 208 N -2.90 2.07 0.34 7.28 4.22 -1.21 -4.33 114.94 120.42 1gqi s ASN 208 Ca 0.13 -0.83 -0.28 0.00 -2.14 0.00 0.00 52.86 49.75 1gqi s ASN 208 Cb 0.18 -0.08 -0.12 0.00 1.28 0.00 0.00 41.25 42.51 1gqi s ASN 208 CO 0.67 -0.14 1.38 -3.20 -2.04 0.00 0.00 177.10 173.78 1gqi n ASN 209 N 0.47 3.16 0.27 3.54 2.85 -0.17 -4.31 115.26 121.07 1gqi n ASN 209 Ca -0.15 1.21 0.11 0.00 -0.11 0.00 0.00 54.58 55.64 1gqi n ASN 209 Cb 0.57 -1.53 0.74 0.00 1.24 0.00 0.00 39.78 40.80 1gqi n ASN 209 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1gqi h VAL 210 N 2.76 0.73 -1.00 3.44 -1.51 -1.91 -3.20 116.25 115.56 1gqi h VAL 210 Ca -0.48 -0.27 -0.64 0.00 -1.23 0.00 0.00 66.70 64.08 1gqi h VAL 210 Cb 1.27 1.16 -0.09 0.00 -2.13 0.00 0.00 31.29 31.49 1gqi h VAL 210 CO 0.65 0.07 1.86 0.20 -1.23 0.00 0.00 177.57 179.11 1gqi s ASN 211 N -6.47 6.68 0.18 4.19 0.01 -1.26 -4.35 114.94 113.91 1gqi s ASN 211 Ca -0.04 -1.97 -0.26 0.00 -0.71 0.00 0.00 52.86 49.87 1gqi s ASN 211 Cb 0.15 -2.57 -0.08 0.00 0.41 0.00 0.00 41.25 39.16 1gqi s ASN 211 CO 0.61 -1.33 0.82 0.00 -1.51 0.00 0.00 177.10 175.69 1gqi s ALA 212 N 4.56 3.42 -0.27 0.60 0.00 -1.21 -5.02 121.76 123.84 1gqi s ALA 212 Ca 0.50 0.42 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 1gqi s ALA 212 Cb 0.02 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1gqi s ALA 212 CO -0.01 0.26 0.22 0.34 0.00 0.00 0.00 175.76 176.57 1gqi s ASP 213 N -1.07 6.09 0.43 0.00 -1.08 -1.26 -4.59 116.67 115.19 1gqi s ASP 213 Ca 0.37 0.08 0.30 0.00 -0.52 0.00 0.00 52.55 52.79 1gqi s ASP 213 Cb -0.24 -2.14 1.44 0.00 -1.46 0.00 0.00 42.92 40.53 1gqi s ASP 213 CO 0.28 -0.05 1.90 1.55 0.52 0.00 0.00 175.17 179.37 1gqi h PRO 214 N 8.11 0.00 -0.01 4.34 0.13 -1.94 -2.85 132.00 139.78 1gqi h PRO 214 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1gqi h PRO 214 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1gqi h PRO 214 CO 0.59 0.00 0.02 0.00 -0.23 0.00 0.00 178.00 178.38 1gqi h ARG 215 N 0.00 0.00 0.00 0.86 3.08 -1.98 -2.17 114.38 114.17 1gqi h ARG 215 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1gqi h ARG 215 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1gqi h ARG 215 CO 0.00 0.00 -0.02 -0.39 -1.07 0.00 0.00 179.97 178.49 1gqi h VAL 216 N 0.00 0.23 -0.05 2.04 -1.51 -1.89 -1.22 116.25 113.84 1gqi h VAL 216 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1gqi h VAL 216 Cb 0.03 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1gqi h VAL 216 CO -0.00 0.02 0.00 0.18 -1.23 0.00 0.00 177.57 176.54 1gqi n LEU 217 N -3.36 1.88 -4.87 4.19 4.77 -0.81 -4.06 117.00 114.74 1gqi n LEU 217 Ca -0.02 -0.66 -0.31 0.00 -0.03 0.00 0.00 56.01 55.00 1gqi n LEU 217 Cb 0.14 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1gqi n LEU 217 CO 0.25 0.33 0.56 -0.94 -1.33 0.00 0.00 177.39 176.25 1gqi s SER 218 N -1.93 6.47 0.25 -1.43 1.04 -0.46 -4.87 113.70 112.76 1gqi s SER 218 Ca 0.35 1.28 -0.04 0.00 0.48 0.00 0.00 55.95 58.03 1gqi s SER 218 Cb 0.20 -2.39 0.38 0.00 0.10 0.00 0.00 66.02 64.32 1gqi s SER 218 CO 0.32 -0.55 1.83 -0.78 0.98 0.00 0.00 173.24 175.04 1gqi h ASP 219 N 0.77 0.78 -0.55 7.02 1.82 -1.91 0.85 116.42 125.19 1gqi h ASP 219 Ca -0.47 0.03 0.11 0.00 -0.39 0.00 0.00 57.03 56.32 1gqi h ASP 219 Cb 1.19 -0.12 -0.10 0.00 0.68 0.00 0.00 39.33 40.97 1gqi h ASP 219 CO 0.63 0.47 -0.11 -0.61 -1.61 0.00 0.00 179.24 178.00 1gqi h GLN 220 N 0.90 0.02 0.06 0.28 4.15 -1.93 -1.79 115.11 116.79 1gqi h GLN 220 Ca 0.40 -0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.55 1gqi h GLN 220 Cb 0.29 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1gqi h GLN 220 CO -0.22 0.01 -1.37 0.74 -1.93 0.00 0.00 178.83 176.07 1gqi h PHE 221 N 0.02 0.24 -0.26 3.99 0.04 -1.60 -3.31 116.94 116.07 1gqi h PHE 221 Ca 0.27 -0.17 0.01 0.00 2.80 0.00 0.00 57.97 60.87 1gqi h PHE 221 Cb 0.42 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1gqi h PHE 221 CO -0.44 1.19 0.17 -0.07 -0.60 0.00 0.00 178.31 178.56 1gqi h LEU 222 N 0.04 0.28 -0.76 1.54 3.38 -0.60 0.13 115.31 119.32 1gqi h LEU 222 Ca -0.17 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1gqi h LEU 222 Cb 1.94 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.59 1gqi h LEU 222 CO 0.14 0.21 0.09 1.56 0.09 0.00 0.00 178.44 180.52 1gqi h GLN 223 N 0.34 1.03 -0.15 1.13 4.20 -1.42 0.38 115.11 120.61 1gqi h GLN 223 Ca 0.10 -0.27 -0.10 0.00 0.06 0.00 0.00 58.65 58.44 1gqi h GLN 223 Cb -0.02 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1gqi h GLN 223 CO -0.02 0.95 -0.28 0.87 -0.67 0.00 0.00 178.83 179.68 1gqi h LYS 224 N 0.96 0.45 -0.79 1.46 1.57 -1.24 -3.02 116.57 115.97 1gqi h LYS 224 Ca 0.19 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1gqi h LYS 224 Cb 0.44 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1gqi h LYS 224 CO 0.01 0.89 0.37 0.82 -0.57 0.00 0.00 179.45 180.97 1gqi h ILE 225 N 0.07 1.25 -0.73 1.86 2.04 -0.66 -2.21 117.51 119.12 1gqi h ILE 225 Ca 0.01 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1gqi h ILE 225 Cb 0.87 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1gqi h ILE 225 CO 0.06 0.30 0.48 0.00 0.00 0.00 0.00 178.15 178.99 1gqi h ALA 226 N 1.28 1.51 -0.63 1.87 0.00 -0.93 0.61 119.26 122.98 1gqi h ALA 226 Ca 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1gqi h ALA 226 Cb 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1gqi h ALA 226 CO -0.03 0.45 0.34 0.00 0.00 0.00 0.00 179.25 180.00 1gqi h ALA 227 N 1.55 0.80 -0.36 0.00 0.00 -1.27 0.13 119.26 120.12 1gqi h ALA 227 Ca 0.27 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1gqi h ALA 227 Cb -0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1gqi h ALA 227 CO -0.06 0.33 0.08 -0.07 0.00 0.00 0.00 179.25 179.53 1gqi h LEU 228 N 0.85 0.54 -1.44 0.00 3.38 -1.10 -2.16 115.31 115.39 1gqi h LEU 228 Ca 0.22 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1gqi h LEU 228 Cb 0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1gqi h LEU 228 CO -0.03 0.64 0.39 0.00 0.09 0.00 0.00 178.44 179.53 1gqi h ALA 229 N 0.93 1.63 -0.62 1.53 0.00 -0.62 -0.96 119.26 121.15 1gqi h ALA 229 Ca 0.11 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1gqi h ALA 229 Cb 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1gqi h ALA 229 CO 0.00 0.33 0.10 -0.44 0.00 0.00 0.00 179.25 179.24 1gqi h ASP 230 N 0.76 0.96 0.17 0.00 3.32 -0.63 -0.68 116.42 120.31 1gqi h ASP 230 Ca 0.23 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1gqi h ASP 230 Cb -0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1gqi h ASP 230 CO -0.06 0.96 -0.34 0.00 -1.72 0.00 0.00 179.24 178.09 1gqi h ALA 231 N 1.15 1.21 0.00 3.45 0.00 -0.58 -3.23 119.26 121.25 1gqi h ALA 231 Ca 0.19 -0.36 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1gqi h ALA 231 Cb 0.41 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1gqi h ALA 231 CO 0.01 0.53 -1.22 0.74 0.00 0.00 0.00 179.25 179.31 1gqi h PHE 232 N 0.21 0.00 -0.55 0.00 0.04 -0.82 -3.39 116.94 112.43 1gqi h PHE 232 Ca 0.03 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.89 1gqi h PHE 232 Cb 0.70 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.78 1gqi h PHE 232 CO 0.01 0.94 0.14 -0.09 -0.60 0.00 0.00 178.31 178.71 1gqi h ARG 233 N 0.00 0.28 0.00 1.51 2.43 -1.15 -1.59 114.38 115.86 1gqi h ARG 233 Ca -0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1gqi h ARG 233 Cb 1.81 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.30 1gqi h ARG 233 CO 0.10 0.18 0.00 -1.00 -1.51 0.00 0.00 179.97 177.75 1gqi h PRO 234 N 0.28 0.00 -0.38 0.20 0.13 -1.76 -1.05 132.00 129.42 1gqi h PRO 234 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 1gqi h PRO 234 Cb 0.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1gqi h PRO 234 CO -0.34 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.09 1gqi n TYR 235 N -2.90 0.51 -0.99 1.56 4.01 -0.61 -4.15 117.16 114.59 1gqi n TYR 235 Ca -0.01 -0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1gqi n TYR 235 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1gqi n TYR 235 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gqi n GLY 236 N 1.24 0.49 3.57 2.72 0.00 -0.40 -4.71 105.19 108.10 1gqi n GLY 236 Ca 0.16 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1gqi n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqi s ILE 237 N -2.00 5.27 0.37 -0.61 1.01 -1.13 -4.59 121.20 119.53 1gqi s ILE 237 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.58 1gqi s ILE 237 Cb 0.00 -3.64 -0.08 0.00 0.01 0.00 0.00 42.46 38.75 1gqi s ILE 237 CO 0.00 0.12 0.78 -0.54 0.00 0.00 0.00 174.94 175.29 1gqi s LYS 238 N 1.80 3.91 -0.05 2.79 1.02 -0.36 -4.01 119.74 124.85 1gqi s LYS 238 Ca 0.08 0.62 -0.17 0.00 0.02 0.00 0.00 55.97 56.52 1gqi s LYS 238 Cb -0.17 -2.38 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 1gqi s LYS 238 CO 0.11 0.04 0.47 1.41 -0.92 0.00 0.00 175.35 176.46 1gqi s MET 239 N -3.43 4.19 0.12 1.68 -2.45 -1.26 -1.62 119.30 116.53 1gqi s MET 239 Ca 0.54 0.48 0.05 0.00 -1.25 0.00 0.00 55.69 55.51 1gqi s MET 239 Cb -0.10 -3.34 -0.04 0.00 1.25 0.00 0.00 34.83 32.60 1gqi s MET 239 CO 0.24 0.39 -0.13 0.71 1.05 0.00 0.00 175.02 177.29 1gqi s TYR 240 N -0.16 1.30 -0.01 4.11 1.51 -0.06 0.05 117.35 124.08 1gqi s TYR 240 Ca 0.26 -0.59 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 1gqi s TYR 240 Cb -0.16 -0.69 -0.01 0.00 -0.11 0.00 0.00 41.96 40.99 1gqi s TYR 240 CO 0.13 0.10 -0.11 -0.51 -1.11 0.00 0.00 175.55 174.05 1gqi s LEU 241 N -2.46 2.00 0.18 -1.29 1.43 -0.90 -3.22 118.68 114.42 1gqi s LEU 241 Ca 0.08 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 1gqi s LEU 241 Cb -0.04 -0.58 -0.08 0.00 0.03 0.00 0.00 46.19 45.52 1gqi s LEU 241 CO 0.02 0.13 1.17 -0.44 0.23 0.00 0.00 176.35 177.46 1gqi s SER 242 N -0.21 7.13 0.15 2.29 0.01 -1.26 -0.89 113.70 120.92 1gqi s SER 242 Ca 0.03 2.19 0.09 0.00 1.31 0.00 0.00 55.95 59.58 1gqi s SER 242 Cb -0.05 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 1gqi s SER 242 CO -0.00 -0.34 -0.17 0.27 0.41 0.00 0.00 173.24 173.42 1gqi s ILE 243 N -0.09 2.86 -0.28 1.44 -5.25 -0.52 -4.75 121.20 114.62 1gqi s ILE 243 Ca 0.52 -1.64 -0.15 0.00 -0.99 0.00 0.00 60.65 58.39 1gqi s ILE 243 Cb -0.32 -2.35 -0.03 0.00 2.95 0.00 0.00 42.46 42.71 1gqi s ILE 243 CO 0.36 0.00 0.38 0.21 -1.79 0.00 0.00 174.94 174.11 1gqi s ASN 244 N -2.42 6.25 0.56 4.36 2.47 -1.26 -4.53 114.94 120.37 1gqi s ASN 244 Ca 0.20 0.23 0.25 0.00 0.42 0.00 0.00 52.86 53.96 1gqi s ASN 244 Cb -0.10 -2.21 1.60 0.00 -1.45 0.00 0.00 41.25 39.09 1gqi s ASN 244 CO 0.11 -0.22 2.19 0.15 -3.72 0.00 0.00 177.10 175.62 1gqi h PHE 245 N 8.21 0.00 -0.18 0.43 3.57 -1.88 -1.38 116.94 125.72 1gqi h PHE 245 Ca -0.31 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1gqi h PHE 245 Cb 1.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1gqi h PHE 245 CO 0.75 0.03 0.00 0.09 -2.23 0.00 0.00 178.31 176.95 1gqi n ASN 246 N -4.00 1.14 -0.33 0.41 3.02 -1.26 -4.54 115.26 109.70 1gqi n ASN 246 Ca -0.03 -2.03 0.16 0.00 -0.03 0.00 0.00 54.58 52.64 1gqi n ASN 246 Cb 0.11 -0.18 0.35 0.00 -0.61 0.00 0.00 39.78 39.45 1gqi n ASN 246 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1gqi h SER 247 N 1.05 0.53 -0.59 6.41 0.02 -1.67 0.25 113.55 119.56 1gqi h SER 247 Ca 0.00 0.14 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 1gqi h SER 247 Cb 0.33 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 1gqi h SER 247 CO 0.02 0.06 0.39 -0.65 -1.14 0.00 0.00 176.83 175.51 1gqi h PRO 248 N 0.50 0.50 0.08 3.45 0.11 -1.87 -0.76 132.00 134.02 1gqi h PRO 248 Ca 0.61 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 66.40 1gqi h PRO 248 Cb 1.15 -0.11 0.03 0.00 0.11 0.00 0.00 31.00 32.17 1gqi h PRO 248 CO -0.50 0.33 -1.17 0.00 -0.21 0.00 0.00 178.00 176.45 1gqi h ARG 249 N 0.52 0.66 -0.47 1.05 3.08 -1.05 -1.86 114.38 116.32 1gqi h ARG 249 Ca 0.26 -0.81 -0.02 0.00 0.07 0.00 0.00 59.98 59.47 1gqi h ARG 249 Cb 0.35 0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1gqi h ARG 249 CO -0.07 1.37 0.19 0.00 -1.07 0.00 0.00 179.97 180.38 1gqi h ALA 250 N 0.33 1.46 -0.00 0.04 0.00 -0.47 -0.73 119.26 119.88 1gqi h ALA 250 Ca -0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1gqi h ALA 250 Cb 1.84 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1gqi h ALA 250 CO 0.23 0.42 -0.00 1.19 0.00 0.00 0.00 179.25 181.08 1gqi n PHE 251 N -4.36 0.00 -1.76 0.00 3.01 -0.37 -4.90 117.46 109.08 1gqi n PHE 251 Ca 0.04 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.39 1gqi n PHE 251 Cb 0.15 -0.23 -0.02 0.00 -0.01 0.00 0.00 39.48 39.37 1gqi n PHE 251 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gqi n GLY 252 N 1.23 0.55 0.08 1.37 0.00 -0.28 -4.92 105.19 103.22 1gqi n GLY 252 Ca 0.16 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 1gqi n GLY 252 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gqi n ASP 253 N 0.15 0.09 -3.93 1.61 8.00 -0.75 -4.97 116.55 116.76 1gqi n ASP 253 Ca -0.11 0.04 -0.10 0.00 0.71 0.00 0.00 54.79 55.32 1gqi n ASP 253 Cb 0.47 1.11 -0.12 0.00 -0.02 0.00 0.00 41.12 42.56 1gqi n ASP 253 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gqi s VAL 254 N -2.74 0.06 -1.73 2.53 1.01 -0.89 -5.03 120.40 113.61 1gqi s VAL 254 Ca -0.09 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.46 1gqi s VAL 254 Cb 0.08 -0.17 0.31 0.00 0.00 0.00 0.00 36.38 36.60 1gqi s VAL 254 CO 0.85 -0.29 1.21 -0.90 0.00 0.00 0.00 175.10 175.97 1gqi n ASP 255 N 2.21 2.04 -3.92 3.32 5.68 -1.26 -3.64 116.55 120.99 1gqi n ASP 255 Ca -0.19 -2.08 -0.09 0.00 -0.50 0.00 0.00 54.79 51.93 1gqi n ASP 255 Cb 0.57 -0.29 -0.04 0.00 -1.14 0.00 0.00 41.12 40.21 1gqi n ASP 255 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1gqi s THR 256 N -1.60 0.01 -0.03 2.12 -1.32 -1.26 -5.04 115.64 108.52 1gqi s THR 256 Ca 0.23 -1.20 0.04 0.00 -1.21 0.00 0.00 61.69 59.55 1gqi s THR 256 Cb 0.13 -2.01 0.07 0.00 -1.51 0.00 0.00 72.50 69.17 1gqi s THR 256 CO 0.13 -0.04 0.92 0.00 -2.21 0.00 0.00 174.62 173.42 1gqi n ALA 257 N -0.38 1.83 -1.69 11.08 0.00 -1.26 -4.45 120.51 125.65 1gqi n ALA 257 Ca -0.04 -1.27 -0.49 0.00 0.00 0.00 0.00 53.44 51.63 1gqi n ALA 257 Cb 0.61 -0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 1gqi n ALA 257 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1gqi n ASP 258 N -0.54 3.35 0.13 0.00 2.03 -1.26 -4.84 116.55 115.42 1gqi n ASP 258 Ca 0.04 0.98 0.11 0.00 0.52 0.00 0.00 54.79 56.44 1gqi n ASP 258 Cb 0.46 -1.35 0.50 0.00 -0.72 0.00 0.00 41.12 40.01 1gqi n ASP 258 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1gqi n PRO 259 N 6.55 0.16 0.00 -0.67 -0.04 -1.26 -1.57 135.00 138.17 1gqi n PRO 259 Ca 0.23 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.30 1gqi n PRO 259 Cb 0.28 -1.87 0.42 0.00 -0.04 0.00 0.00 33.50 32.28 1gqi n PRO 259 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1gqi n LEU 260 N -2.19 0.69 -4.67 1.53 4.77 -1.26 -4.61 117.00 111.25 1gqi n LEU 260 Ca 0.01 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.49 1gqi n LEU 260 Cb 0.16 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1gqi n LEU 260 CO 0.16 0.14 0.79 -0.62 -1.33 0.00 0.00 177.39 176.52 1gqi s ASP 261 N -2.65 7.10 0.54 -1.43 -1.08 -0.61 -4.93 116.67 113.61 1gqi s ASP 261 Ca 0.21 1.36 0.25 0.00 -0.52 0.00 0.00 52.55 53.86 1gqi s ASP 261 Cb 0.19 -2.52 1.42 0.00 -1.46 0.00 0.00 42.92 40.55 1gqi s ASP 261 CO 0.56 -0.52 2.02 1.55 0.52 0.00 0.00 175.17 179.29 1gqi h PRO 262 N 7.32 0.00 -0.29 4.34 0.13 -1.88 -0.79 132.00 140.83 1gqi h PRO 262 Ca -0.26 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.76 1gqi h PRO 262 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1gqi h PRO 262 CO 0.90 0.00 -0.31 0.00 -0.23 0.00 0.00 178.00 178.36 1gqi h ARG 263 N 0.00 0.62 -0.21 0.86 3.08 -1.93 -0.68 114.38 116.10 1gqi h ARG 263 Ca 0.20 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1gqi h ARG 263 Cb 0.84 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 1gqi h ARG 263 CO -0.00 0.85 -0.18 0.28 -1.07 0.00 0.00 179.97 179.85 1gqi h VAL 264 N 0.53 1.32 -0.70 2.04 2.07 -1.45 -0.83 116.25 119.24 1gqi h VAL 264 Ca 0.06 -1.32 0.05 0.00 0.82 0.00 0.00 66.70 66.31 1gqi h VAL 264 Cb 0.79 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 1gqi h VAL 264 CO 0.06 0.40 0.41 1.56 0.02 0.00 0.00 177.57 180.03 1gqi h GLN 265 N 0.19 0.76 -0.41 1.57 4.20 -1.12 -1.94 115.11 118.36 1gqi h GLN 265 Ca 0.04 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1gqi h GLN 265 Cb 0.71 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1gqi h GLN 265 CO 0.05 0.50 -0.17 0.37 -0.67 0.00 0.00 178.83 178.90 1gqi h GLN 266 N 0.78 0.78 -0.34 1.46 5.75 -1.06 -1.91 115.11 120.57 1gqi h GLN 266 Ca 0.30 -0.29 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1gqi h GLN 266 Cb 0.11 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 1gqi h GLN 266 CO -0.15 0.90 0.12 2.35 -2.65 0.00 0.00 178.83 179.40 1gqi h TRP 267 N 0.69 0.22 -0.11 3.99 7.01 -0.43 0.26 115.95 127.58 1gqi h TRP 267 Ca 0.10 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 60.98 1gqi h TRP 267 Cb 0.67 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.67 1gqi h TRP 267 CO 0.03 0.10 -0.54 -1.49 -2.79 0.00 0.00 178.44 173.75 1gqi h TRP 268 N 0.27 0.41 -0.33 2.65 4.06 -1.23 -0.50 115.95 121.27 1gqi h TRP 268 Ca 0.15 -0.14 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 1gqi h TRP 268 Cb 0.12 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.19 1gqi h TRP 268 CO -0.14 0.79 0.08 -0.22 -3.56 0.00 0.00 178.44 175.40 1gqi h LYS 269 N 0.25 0.52 -0.50 0.49 3.64 -0.90 -0.28 116.57 119.78 1gqi h LYS 269 Ca 0.01 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.19 1gqi h LYS 269 Cb 1.03 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1gqi h LYS 269 CO 0.09 0.58 0.04 1.15 -2.27 0.00 0.00 179.45 179.04 1gqi h THR 270 N 0.37 1.24 -0.52 1.00 2.02 -0.74 -2.15 112.91 114.13 1gqi h THR 270 Ca 0.10 -0.95 -0.11 0.00 0.77 0.00 0.00 66.41 66.23 1gqi h THR 270 Cb 0.29 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1gqi h THR 270 CO 0.00 0.34 -0.09 -0.09 0.37 0.00 0.00 175.52 176.06 1gqi h ARG 271 N 0.77 0.97 -0.67 6.66 9.65 -0.85 -1.84 114.38 129.07 1gqi h ARG 271 Ca 0.16 -0.35 -0.01 0.00 -1.10 0.00 0.00 59.98 58.67 1gqi h ARG 271 Cb 0.41 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 1gqi h ARG 271 CO 0.01 1.03 0.37 0.00 2.80 0.00 0.00 179.97 184.18 1gqi h ALA 272 N 0.92 0.85 -0.79 2.80 0.00 -0.87 0.84 119.26 123.01 1gqi h ALA 272 Ca 0.14 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1gqi h ALA 272 Cb 0.64 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1gqi h ALA 272 CO 0.04 0.36 0.48 1.96 0.00 0.00 0.00 179.25 182.09 1gqi h GLN 273 N 0.91 0.85 -0.39 0.00 4.20 -1.02 -0.53 115.11 119.14 1gqi h GLN 273 Ca 0.23 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 1gqi h GLN 273 Cb 0.03 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1gqi h GLN 273 CO -0.04 0.56 0.06 -0.22 -0.67 0.00 0.00 178.83 178.53 1gqi h LYS 274 N 0.87 0.65 -0.24 1.46 3.64 -0.57 -1.32 116.57 121.06 1gqi h LYS 274 Ca 0.34 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1gqi h LYS 274 Cb 0.16 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1gqi h LYS 274 CO -0.17 0.70 0.15 0.82 -2.27 0.00 0.00 179.45 178.68 1gqi h ILE 275 N 0.49 1.05 0.00 2.00 2.04 -0.28 -2.61 117.51 120.20 1gqi h ILE 275 Ca 0.12 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1gqi h ILE 275 Cb 0.36 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1gqi h ILE 275 CO 0.01 0.06 -0.05 1.88 0.00 0.00 0.00 178.15 180.04 1gqi h TYR 276 N 0.31 0.00 -0.12 1.37 0.05 -0.96 0.47 116.97 118.10 1gqi h TYR 276 Ca 0.09 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.80 1gqi h TYR 276 Cb -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1gqi h TYR 276 CO -0.07 0.05 -0.25 0.66 -1.05 0.00 0.00 178.16 177.50 1gqi h SER 277 N 0.00 0.20 0.41 3.88 4.64 -0.85 -3.05 113.55 118.77 1gqi h SER 277 Ca -0.00 -0.06 -0.31 0.00 -0.47 0.00 0.00 61.79 60.95 1gqi h SER 277 Cb 0.53 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.54 1gqi h SER 277 CO 0.01 0.46 -1.74 1.88 -0.87 0.00 0.00 176.83 176.56 1gqi h TYR 278 N 0.19 0.19 -2.60 4.77 0.05 -1.07 -3.44 116.97 115.05 1gqi h TYR 278 Ca 0.03 -0.14 -0.59 0.00 0.05 0.00 0.00 58.73 58.09 1gqi h TYR 278 Cb 0.55 -0.01 -0.39 0.00 1.01 0.00 0.00 36.73 37.89 1gqi h TYR 278 CO 0.01 1.26 -0.86 0.42 -1.05 0.00 0.00 178.16 177.94 1gqi s ILE 279 N -2.59 0.54 0.18 -2.88 1.01 0.02 -4.85 121.20 112.61 1gqi s ILE 279 Ca -0.10 -2.26 0.35 0.00 0.00 0.00 0.00 60.65 58.64 1gqi s ILE 279 Cb 0.08 -1.38 0.37 0.00 0.01 0.00 0.00 42.46 41.53 1gqi s ILE 279 CO 0.81 -1.05 2.04 -0.65 0.00 0.00 0.00 174.94 176.09 1gqi h PRO 280 N 6.47 0.00 -0.27 2.79 0.11 -1.79 -1.94 132.00 137.37 1gqi h PRO 280 Ca 0.12 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 1gqi h PRO 280 Cb 0.93 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.99 1gqi h PRO 280 CO 0.35 0.00 -0.05 -0.40 -0.21 0.00 0.00 178.00 177.69 1gqi n ASP 281 N -2.86 2.97 -4.61 -2.05 5.75 -1.26 -5.00 116.55 109.50 1gqi n ASP 281 Ca -0.01 -3.42 -0.46 0.00 -0.01 0.00 0.00 54.79 50.90 1gqi n ASP 281 Cb 0.18 -0.58 -0.02 0.00 -1.03 0.00 0.00 41.12 39.67 1gqi n ASP 281 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1gqi n PHE 282 N -0.93 1.50 -0.02 2.11 7.35 -0.73 -4.67 117.46 122.08 1gqi n PHE 282 Ca 0.26 0.64 -0.17 0.00 -0.76 0.00 0.00 57.45 57.43 1gqi n PHE 282 Cb 0.93 -2.30 -0.09 0.00 0.35 0.00 0.00 39.48 38.37 1gqi n PHE 282 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1gqi h GLY 283 N 2.76 0.63 0.00 7.13 0.00 -0.71 -3.42 103.07 109.46 1gqi h GLY 283 Ca -0.42 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 45.98 1gqi h GLY 283 CO 0.66 0.83 0.00 0.61 0.00 0.00 0.00 176.54 178.64 1gqi n GLY 284 N 0.78 0.88 3.38 4.60 0.00 -1.25 -1.72 105.19 111.87 1gqi n GLY 284 Ca -0.08 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 1gqi n GLY 284 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gqi s PHE 285 N -2.95 2.36 -0.10 1.61 0.08 -0.48 -2.11 117.98 116.40 1gqi s PHE 285 Ca 0.00 -0.38 -0.03 0.00 0.12 0.00 0.00 56.93 56.64 1gqi s PHE 285 Cb 0.00 -1.37 -0.03 0.00 -0.57 0.00 0.00 43.02 41.04 1gqi s PHE 285 CO 0.00 0.20 0.02 -1.17 -0.10 0.00 0.00 175.22 174.17 1gqi s LEU 286 N -1.46 3.71 -0.07 -0.37 2.96 -0.07 -0.28 118.68 123.09 1gqi s LEU 286 Ca 0.13 0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1gqi s LEU 286 Cb -0.10 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.75 1gqi s LEU 286 CO 0.04 0.36 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.73 1gqi s VAL 287 N -0.79 0.47 -0.31 1.68 1.01 -0.25 -1.43 120.40 120.78 1gqi s VAL 287 Ca 0.12 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 1gqi s VAL 287 Cb -0.12 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1gqi s VAL 287 CO 0.02 0.27 0.10 -0.75 0.00 0.00 0.00 175.10 174.74 1gqi s LYS 288 N 1.84 2.97 -0.01 2.72 2.20 -1.26 -0.79 119.74 127.41 1gqi s LYS 288 Ca 0.03 -0.95 0.02 0.00 -0.36 0.00 0.00 55.97 54.72 1gqi s LYS 288 Cb -0.12 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 1gqi s LYS 288 CO -0.05 -0.51 -0.08 0.00 -0.36 0.00 0.00 175.35 174.35 1gqi s ALA 289 N 1.48 0.66 -1.44 3.13 0.00 -1.26 -4.72 121.76 119.61 1gqi s ALA 289 Ca 0.02 -0.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.56 1gqi s ALA 289 Cb -0.18 -0.17 0.05 0.00 0.00 0.00 0.00 23.12 22.82 1gqi s ALA 289 CO 0.03 0.16 0.85 -0.25 0.00 0.00 0.00 175.76 176.55 1gqi n ASP 290 N 2.91 -3.21 -3.75 0.00 8.00 -0.54 -4.89 116.55 115.08 1gqi n ASP 290 Ca -0.13 -0.80 -0.13 0.00 0.71 0.00 0.00 54.79 54.43 1gqi n ASP 290 Cb 0.57 -3.92 -0.14 0.00 -0.02 0.00 0.00 41.12 37.61 1gqi n ASP 290 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1gqi s SER 291 N -3.77 -0.12 -1.29 -2.24 0.15 -1.21 -4.65 113.70 100.57 1gqi s SER 291 Ca 0.38 0.30 -0.08 0.00 0.70 0.00 0.00 55.95 57.25 1gqi s SER 291 Cb -0.19 0.20 0.06 0.00 -1.71 0.00 0.00 66.02 64.38 1gqi s SER 291 CO 0.83 -0.14 0.46 -0.62 1.20 0.00 0.00 173.24 174.97 1gqi n GLU 292 N 4.10 -3.46 -0.65 5.44 1.02 -1.26 -0.67 120.64 125.16 1gqi n GLU 292 Ca -0.25 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1gqi n GLU 292 Cb 0.52 -5.24 0.00 0.00 -0.02 0.00 0.00 31.44 26.70 1gqi n GLU 292 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gqi n GLY 293 N -1.18 1.10 3.77 0.62 0.00 -1.26 -5.04 105.19 103.19 1gqi n GLY 293 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1gqi n GLY 293 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gqi s GLN 294 N -0.24 4.42 0.87 1.61 -1.52 0.15 -4.99 119.66 119.97 1gqi s GLN 294 Ca 0.00 1.71 -0.11 0.00 -1.95 0.00 0.00 55.36 55.02 1gqi s GLN 294 Cb 0.00 -2.92 0.12 0.00 -0.22 0.00 0.00 33.01 29.99 1gqi s GLN 294 CO 0.00 0.04 1.11 -1.25 -0.25 0.00 0.00 175.29 174.94 1gqi s PRO 295 N -1.88 1.40 0.05 2.91 0.04 -1.26 -1.46 135.00 134.80 1gqi s PRO 295 Ca 0.50 1.24 -0.26 0.00 0.04 0.00 0.00 61.00 62.52 1gqi s PRO 295 Cb -0.29 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.55 1gqi s PRO 295 CO 0.36 -2.27 1.20 0.20 0.04 0.00 0.00 177.00 176.53 1gqi s GLY 296 N -3.05 -0.07 0.42 0.56 0.00 -1.26 -2.57 107.32 101.34 1gqi s GLY 296 Ca 0.64 -0.03 0.10 0.00 0.00 0.00 0.00 44.72 45.43 1gqi s GLY 296 CO 0.58 3.97 2.02 -0.56 0.00 0.00 0.00 173.10 179.11 1gqi h PRO 297 N 2.00 0.48 0.00 2.90 0.13 -1.88 -1.99 132.00 133.65 1gqi h PRO 297 Ca -0.25 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1gqi h PRO 297 Cb 1.20 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1gqi h PRO 297 CO 0.33 0.32 -0.05 1.96 -0.23 0.00 0.00 178.00 180.33 1gqi h GLN 298 N 0.49 0.00 0.00 0.86 4.20 -1.82 0.38 115.11 119.23 1gqi h GLN 298 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1gqi h GLN 298 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1gqi h GLN 298 CO -0.06 0.05 0.00 0.41 -0.67 0.00 0.00 178.83 178.56 1gqi n GLY 299 N -0.73 -0.93 0.09 3.46 0.00 -0.75 -1.78 105.19 104.56 1gqi n GLY 299 Ca -0.02 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.05 1gqi n GLY 299 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gqi n TYR 300 N -1.60 0.00 -1.74 1.61 4.01 -0.00 -4.98 117.16 114.46 1gqi n TYR 300 Ca 0.03 -0.77 -0.13 0.00 -0.16 0.00 0.00 57.90 56.86 1gqi n TYR 300 Cb 0.14 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 39.02 1gqi n TYR 300 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gqi n GLY 301 N -1.06 0.75 3.74 2.72 0.00 -0.74 -5.02 105.19 105.58 1gqi n GLY 301 Ca 0.11 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 1gqi n GLY 301 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqi s ARG 302 N -3.76 2.38 0.43 1.61 1.81 -0.45 -4.97 118.95 116.01 1gqi s ARG 302 Ca 0.00 -1.55 0.06 0.00 -1.72 0.00 0.00 55.73 52.53 1gqi s ARG 302 Cb 0.00 -2.18 0.01 0.00 -0.45 0.00 0.00 34.95 32.33 1gqi s ARG 302 CO 0.00 0.11 0.59 0.16 -0.68 0.00 0.00 175.30 175.48 1gqi s ASP 303 N -3.85 5.64 0.42 0.23 1.47 -1.26 -2.64 116.67 116.67 1gqi s ASP 303 Ca 0.38 -0.30 0.10 0.00 1.18 0.00 0.00 52.55 53.91 1gqi s ASP 303 Cb -0.02 -0.80 0.89 0.00 -0.34 0.00 0.00 42.92 42.64 1gqi s ASP 303 CO 0.23 -0.78 2.00 0.45 0.68 0.00 0.00 175.17 177.74 1gqi h HIS 304 N 0.57 0.29 -0.50 2.11 3.86 -1.95 -1.68 115.15 117.84 1gqi h HIS 304 Ca -0.41 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 58.69 1gqi h HIS 304 Cb 1.28 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.64 1gqi h HIS 304 CO 0.40 0.30 -0.03 0.00 0.86 0.00 0.00 177.93 179.45 1gqi h ALA 305 N 1.73 0.68 -0.66 2.45 0.00 -1.95 -0.08 119.26 121.43 1gqi h ALA 305 Ca 0.07 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1gqi h ALA 305 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1gqi h ALA 305 CO 0.00 0.52 0.44 0.93 0.00 0.00 0.00 179.25 181.14 1gqi h GLU 306 N 0.77 0.87 -0.14 0.00 5.08 -1.76 0.14 114.58 119.55 1gqi h GLU 306 Ca 0.14 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1gqi h GLU 306 Cb 0.57 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1gqi h GLU 306 CO 0.03 0.58 -0.05 0.78 -1.00 0.00 0.00 179.01 179.35 1gqi h GLY 307 N 0.90 0.30 1.04 -3.84 0.00 -1.21 -2.66 103.07 97.59 1gqi h GLY 307 Ca 0.24 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1gqi h GLY 307 CO -0.05 0.23 0.23 0.00 0.00 0.00 0.00 176.54 176.95 1gqi h ALA 308 N 0.68 0.91 0.00 3.60 0.00 -0.84 -2.69 119.26 120.93 1gqi h ALA 308 Ca 0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1gqi h ALA 308 Cb 0.49 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1gqi h ALA 308 CO 0.02 0.58 -0.42 -0.91 0.00 0.00 0.00 179.25 178.52 1gqi h ASN 309 N 1.02 0.00 -0.25 0.00 2.35 -0.75 -0.32 115.58 117.63 1gqi h ASN 309 Ca 0.23 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 1gqi h ASN 309 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1gqi h ASN 309 CO -0.01 0.42 0.04 -0.03 -1.65 0.00 0.00 177.43 176.20 1gqi h MET 310 N 0.00 0.41 -0.57 0.81 4.05 -1.15 -0.40 114.93 118.08 1gqi h MET 310 Ca -0.00 -0.11 -0.06 0.00 -0.28 0.00 0.00 59.70 59.25 1gqi h MET 310 Cb 0.76 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.48 1gqi h MET 310 CO 0.05 0.53 0.12 -0.07 0.23 0.00 0.00 176.91 177.78 1gqi h LEU 311 N 0.22 0.88 -1.31 3.39 3.38 -1.25 -2.82 115.31 117.79 1gqi h LEU 311 Ca 0.08 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1gqi h LEU 311 Cb 0.32 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1gqi h LEU 311 CO 0.00 0.89 0.42 0.00 0.09 0.00 0.00 178.44 179.84 1gqi h ALA 312 N 1.02 1.49 -0.26 1.53 0.00 -0.91 -2.09 119.26 120.04 1gqi h ALA 312 Ca 0.18 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1gqi h ALA 312 Cb 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1gqi h ALA 312 CO 0.01 0.46 -0.25 0.00 0.00 0.00 0.00 179.25 179.46 1gqi h ALA 313 N 1.56 1.08 -0.52 0.00 0.00 -0.84 0.44 119.26 120.98 1gqi h ALA 313 Ca 0.24 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1gqi h ALA 313 Cb -0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1gqi h ALA 313 CO -0.05 0.56 0.07 0.00 0.00 0.00 0.00 179.25 179.84 1gqi h ALA 314 N 1.29 1.16 0.00 0.00 0.00 -1.16 -3.26 119.26 117.28 1gqi h ALA 314 Ca 0.06 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1gqi h ALA 314 Cb 0.68 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1gqi h ALA 314 CO 0.05 0.56 -1.03 -0.07 0.00 0.00 0.00 179.25 178.75 1gqi h LEU 315 N 0.78 0.00 -0.57 0.00 3.38 -0.92 -3.40 115.31 114.58 1gqi h LEU 315 Ca 0.16 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.23 1gqi h LEU 315 Cb 0.36 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 1gqi h LEU 315 CO 0.01 0.43 0.18 0.50 0.09 0.00 0.00 178.44 179.65 1gqi h LYS 316 N 0.00 0.33 -0.01 1.13 1.63 -0.97 -1.26 116.57 117.42 1gqi h LYS 316 Ca -0.08 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1gqi h LYS 316 Cb 1.40 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.96 1gqi h LYS 316 CO 0.04 0.22 0.03 -1.35 -3.45 0.00 0.00 179.45 174.94 1gqi h PRO 317 N 0.34 0.00 -0.02 1.90 0.11 -1.77 -2.02 132.00 130.54 1gqi h PRO 317 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1gqi h PRO 317 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1gqi h PRO 317 CO -0.32 0.00 -0.03 1.19 -0.21 0.00 0.00 178.00 178.63 1gqi n PHE 318 N -3.44 0.00 -0.62 0.65 3.72 -0.54 -4.97 117.46 112.25 1gqi n PHE 318 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1gqi n PHE 318 Cb 0.11 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1gqi n PHE 318 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gqi n GLY 319 N 1.10 0.66 3.91 1.37 0.00 -0.76 -4.92 105.19 106.56 1gqi n GLY 319 Ca 0.11 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 1gqi n GLY 319 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gqi s GLY 320 N -2.22 1.51 0.21 -0.02 0.00 -0.82 -4.97 107.32 101.02 1gqi s GLY 320 Ca 0.00 -0.53 0.08 0.00 0.00 0.00 0.00 44.72 44.27 1gqi s GLY 320 CO 0.00 -0.36 -0.15 0.14 0.00 0.00 0.00 173.10 172.74 1gqi s VAL 321 N -2.77 1.80 -0.22 1.40 1.01 -0.70 -4.34 120.40 116.58 1gqi s VAL 321 Ca 0.48 -2.23 -0.02 0.00 0.00 0.00 0.00 61.98 60.22 1gqi s VAL 321 Cb -0.10 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1gqi s VAL 321 CO 0.45 -0.57 -0.09 -0.69 0.00 0.00 0.00 175.10 174.20 1gqi s VAL 322 N -2.94 2.85 -0.55 2.92 1.01 -0.27 -1.38 120.40 122.06 1gqi s VAL 322 Ca 0.23 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 1gqi s VAL 322 Cb -0.01 -2.33 0.06 0.00 0.00 0.00 0.00 36.38 34.10 1gqi s VAL 322 CO 0.08 0.38 0.74 -0.36 0.00 0.00 0.00 175.10 175.94 1gqi s PHE 323 N 1.38 2.94 -0.31 5.22 0.08 0.61 -0.54 117.98 127.36 1gqi s PHE 323 Ca 0.04 -0.49 -0.11 0.00 0.12 0.00 0.00 56.93 56.48 1gqi s PHE 323 Cb -0.15 -3.81 -0.02 0.00 -0.57 0.00 0.00 43.02 38.47 1gqi s PHE 323 CO -0.06 -1.21 0.19 -0.46 -0.10 0.00 0.00 175.22 173.57 1gqi s TRP 324 N 3.09 3.20 0.17 0.36 -0.11 0.27 -1.09 118.94 124.83 1gqi s TRP 324 Ca 0.19 -0.25 -0.30 0.00 1.22 0.00 0.00 56.10 56.95 1gqi s TRP 324 Cb -0.18 -2.40 -0.08 0.00 -1.50 0.00 0.00 33.47 29.31 1gqi s TRP 324 CO 0.12 -0.34 1.19 1.03 -4.62 0.00 0.00 176.95 174.33 1gqi s ARG 325 N 1.69 4.49 0.00 5.86 0.52 0.03 -0.71 118.95 130.83 1gqi s ARG 325 Ca 0.06 1.85 0.17 0.00 -0.52 0.00 0.00 55.73 57.29 1gqi s ARG 325 Cb -0.17 -3.25 0.51 0.00 0.52 0.00 0.00 34.95 32.56 1gqi s ARG 325 CO 0.09 -0.09 1.40 0.00 0.02 0.00 0.00 175.30 176.72 1gqi n ALA 326 N 2.65 2.46 -2.52 2.13 0.00 -0.11 -4.76 120.51 120.37 1gqi n ALA 326 Ca 0.05 -0.68 -0.41 0.00 0.00 0.00 0.00 53.44 52.40 1gqi n ALA 326 Cb 0.45 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 1gqi n ALA 326 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1gqi s PHE 327 N -1.57 2.64 -0.02 0.00 5.36 -1.26 -4.73 117.98 118.40 1gqi s PHE 327 Ca 0.30 -1.24 -0.01 0.00 -0.96 0.00 0.00 56.93 55.02 1gqi s PHE 327 Cb 0.16 -4.67 0.01 0.00 -0.34 0.00 0.00 43.02 38.19 1gqi s PHE 327 CO 0.23 -1.78 0.04 0.08 -1.46 0.00 0.00 175.22 172.32 1gqi s VAL 328 N 5.08 -0.02 -0.29 3.12 1.01 -1.26 -4.78 120.40 123.27 1gqi s VAL 328 Ca 0.54 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.44 1gqi s VAL 328 Cb 0.03 -0.07 0.11 0.00 0.00 0.00 0.00 36.38 36.44 1gqi s VAL 328 CO 0.05 0.03 0.76 -0.72 0.00 0.00 0.00 175.10 175.22 1gqi s TYR 329 N 0.36 -0.99 0.16 5.22 1.13 -1.26 -3.73 117.35 118.23 1gqi s TYR 329 Ca -0.03 1.90 -0.05 0.00 -1.41 0.00 0.00 57.07 57.47 1gqi s TYR 329 Cb -0.04 0.59 -0.06 0.00 -1.10 0.00 0.00 41.96 41.35 1gqi s TYR 329 CO -0.01 -0.49 0.41 -3.38 -2.51 0.00 0.00 175.55 169.57 1gqi s HIS 330 N 1.91 3.46 0.47 -3.49 -3.43 -1.26 -4.83 115.29 108.11 1gqi s HIS 330 Ca -0.08 0.61 0.24 0.00 -0.80 0.00 0.00 55.06 55.02 1gqi s HIS 330 Cb -0.06 -2.05 1.40 0.00 -1.43 0.00 0.00 32.58 30.44 1gqi s HIS 330 CO -0.19 0.40 2.10 -1.35 -2.00 0.00 0.00 174.74 173.70 1gqi h PRO 331 N 2.72 0.00 -0.61 -0.38 0.11 -2.02 -3.21 132.00 128.61 1gqi h PRO 331 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1gqi h PRO 331 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1gqi h PRO 331 CO 0.72 0.10 0.00 -3.47 -0.21 0.00 0.00 178.00 175.14 1gqi n ASP 332 N -3.92 3.59 -4.92 -2.05 -0.08 -1.26 -4.92 116.55 102.99 1gqi n ASP 332 Ca -0.02 -2.31 -0.26 0.00 -1.51 0.00 0.00 54.79 50.69 1gqi n ASP 332 Cb 0.20 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.17 1gqi n ASP 332 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1gqi s ILE 333 N -1.74 4.71 0.17 5.18 -4.36 -1.21 -5.00 121.20 118.95 1gqi s ILE 333 Ca 0.38 -0.11 -0.11 0.00 -0.26 0.00 0.00 60.65 60.54 1gqi s ILE 333 Cb 0.24 -3.77 0.07 0.00 1.25 0.00 0.00 42.46 40.25 1gqi s ILE 333 CO 0.18 -0.65 1.69 -0.08 0.24 0.00 0.00 174.94 176.32 1gqi h GLU 334 N 0.36 0.94 -2.77 0.37 4.81 -1.93 -3.42 114.58 112.93 1gqi h GLU 334 Ca -0.47 -0.22 -0.36 0.00 -0.13 0.00 0.00 59.36 58.18 1gqi h GLU 334 Cb 1.22 -0.13 -0.38 0.00 0.63 0.00 0.00 28.75 30.10 1gqi h GLU 334 CO 0.61 0.85 -0.67 0.34 -0.73 0.00 0.00 179.01 179.41 1gqi s ASP 335 N -6.24 1.63 0.46 1.04 2.15 -1.26 -5.01 116.67 109.44 1gqi s ASP 335 Ca -0.13 -0.29 0.23 0.00 0.43 0.00 0.00 52.55 52.79 1gqi s ASP 335 Cb 0.13 0.16 1.24 0.00 -0.30 0.00 0.00 42.92 44.15 1gqi s ASP 335 CO 0.81 -0.32 1.86 -0.09 -0.17 0.00 0.00 175.17 177.26 1gqi h ARG 336 N 8.36 0.24 -0.94 4.34 2.43 -1.93 -0.44 114.38 126.44 1gqi h ARG 336 Ca -0.16 -0.01 0.20 0.00 -0.81 0.00 0.00 59.98 59.20 1gqi h ARG 336 Cb 1.15 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.57 1gqi h ARG 336 CO 0.27 0.16 0.61 0.35 -1.51 0.00 0.00 179.97 179.84 1gqi h PHE 337 N 0.25 0.70 -0.00 2.20 3.04 -1.95 -1.05 116.94 120.13 1gqi h PHE 337 Ca 0.47 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.44 1gqi h PHE 337 Cb 1.41 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.71 1gqi h PHE 337 CO -0.00 0.18 -0.11 0.54 -2.02 0.00 0.00 178.31 176.90 1gqi n ARG 338 N -4.58 0.06 0.28 1.11 1.74 -0.17 -4.59 116.66 110.51 1gqi n ARG 338 Ca 0.20 -0.01 -0.18 0.00 -0.77 0.00 0.00 57.85 57.10 1gqi n ARG 338 Cb 0.66 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.51 1gqi n ARG 338 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1gqi h GLY 339 N 5.00 -1.14 0.99 -0.13 0.00 -1.27 -2.37 103.07 104.15 1gqi h GLY 339 Ca 0.00 0.54 -0.03 0.00 0.00 0.00 0.00 47.33 47.84 1gqi h GLY 339 CO 0.00 -0.36 0.25 0.00 0.00 0.00 0.00 176.54 176.43 1gqi h ALA 340 N -0.72 0.75 -0.31 3.60 0.00 -1.80 -1.57 119.26 119.22 1gqi h ALA 340 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1gqi h ALA 340 Cb 0.83 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1gqi h ALA 340 CO -0.06 0.34 0.20 -0.92 0.00 0.00 0.00 179.25 178.82 1gqi h TYR 341 N 0.80 0.39 0.00 0.00 5.03 -1.86 -0.76 116.97 120.57 1gqi h TYR 341 Ca 0.20 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.44 1gqi h TYR 341 Cb 0.17 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.30 1gqi h TYR 341 CO 0.00 0.25 -0.37 -0.44 -1.32 0.00 0.00 178.16 176.28 1gqi h ASP 342 N 0.42 0.00 -0.15 -2.11 3.32 -1.19 -0.71 116.42 116.00 1gqi h ASP 342 Ca 0.11 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 1gqi h ASP 342 Cb -0.04 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.51 1gqi h ASP 342 CO -0.02 0.37 -0.51 -0.33 -1.72 0.00 0.00 179.24 177.03 1gqi h GLU 343 N 0.00 0.60 0.00 3.56 4.39 -0.90 -3.40 114.58 118.83 1gqi h GLU 343 Ca -0.00 -0.45 -0.28 0.00 0.34 0.00 0.00 59.36 58.96 1gqi h GLU 343 Cb 0.75 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.43 1gqi h GLU 343 CO 0.05 1.08 -2.22 1.19 -1.16 0.00 0.00 179.01 177.94 1gqi n PHE 344 N -4.19 0.10 -0.31 4.33 3.72 -0.33 -4.45 117.46 116.34 1gqi n PHE 344 Ca -0.07 0.03 0.07 0.00 -0.05 0.00 0.00 57.45 57.44 1gqi n PHE 344 Cb 0.60 -0.91 0.23 0.00 -0.94 0.00 0.00 39.48 38.46 1gqi n PHE 344 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1gqi h MET 345 N 0.00 0.70 0.00 -1.08 2.86 -1.33 0.21 114.93 116.29 1gqi h MET 345 Ca -0.40 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1gqi h MET 345 Cb 1.94 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.44 1gqi h MET 345 CO 0.03 0.46 0.00 -1.35 1.06 0.00 0.00 176.91 177.11 1gqi h PRO 346 N 0.72 0.00 -0.32 -0.22 0.11 -1.80 -2.42 132.00 128.07 1gqi h PRO 346 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1gqi h PRO 346 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1gqi h PRO 346 CO -0.33 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.74 1gqi n LEU 347 N -2.73 3.15 -4.71 2.35 4.77 0.05 -4.95 117.00 114.94 1gqi n LEU 347 Ca -0.01 -1.32 -0.42 0.00 -0.03 0.00 0.00 56.01 54.22 1gqi n LEU 347 Cb 0.11 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1gqi n LEU 347 CO 0.18 0.66 1.36 -0.67 -1.33 0.00 0.00 177.39 177.59 1gqi n ASP 348 N 1.31 3.92 0.00 -1.43 2.03 -0.91 -0.82 116.55 120.65 1gqi n ASP 348 Ca 0.18 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.56 1gqi n ASP 348 Cb 0.57 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 1gqi n ASP 348 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gqi n GLY 349 N 3.93 1.60 0.06 0.27 0.00 -1.19 -4.90 105.19 104.96 1gqi n GLY 349 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1gqi n GLY 349 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gqi n LYS 350 N -2.00 0.18 -3.21 1.61 4.76 0.00 -4.91 118.16 114.60 1gqi n LYS 350 Ca 0.00 -0.12 -0.37 0.00 -2.87 0.00 0.00 58.31 54.95 1gqi n LYS 350 Cb 0.00 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.63 1gqi n LYS 350 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1gqi s PHE 351 N -2.91 3.69 0.84 2.13 0.08 -1.26 -4.90 117.98 115.66 1gqi s PHE 351 Ca 0.12 1.28 -0.11 0.00 0.12 0.00 0.00 56.93 58.34 1gqi s PHE 351 Cb 0.17 -2.53 0.10 0.00 -0.57 0.00 0.00 43.02 40.20 1gqi s PHE 351 CO 0.71 0.43 1.15 0.00 -0.10 0.00 0.00 175.22 177.41 1gqi s ALA 352 N -1.38 1.80 0.33 5.36 0.00 -1.26 -4.91 121.76 121.69 1gqi s ALA 352 Ca 0.38 0.58 0.38 0.00 0.00 0.00 0.00 51.96 53.29 1gqi s ALA 352 Cb -0.17 -3.41 1.79 0.00 0.00 0.00 0.00 23.12 21.32 1gqi s ALA 352 CO 0.20 -2.34 2.14 -0.44 0.00 0.00 0.00 175.76 175.32 1gqi h ASP 353 N -1.36 0.00 -0.55 0.00 3.32 -1.99 -1.44 116.42 114.40 1gqi h ASP 353 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1gqi h ASP 353 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1gqi h ASP 353 CO 0.46 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.52 1gqi n ASN 354 N -3.10 5.44 -4.57 6.45 6.94 -1.26 -4.77 115.26 120.38 1gqi n ASN 354 Ca -0.01 -2.85 -0.34 0.00 -0.02 0.00 0.00 54.58 51.36 1gqi n ASN 354 Cb 0.21 -0.67 -0.11 0.00 -2.36 0.00 0.00 39.78 36.85 1gqi n ASN 354 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1gqi s VAL 355 N -2.61 3.96 -0.09 3.53 1.01 -0.54 -1.11 120.40 124.54 1gqi s VAL 355 Ca 0.51 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1gqi s VAL 355 Cb 0.39 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 34.10 1gqi s VAL 355 CO 0.16 0.55 -0.15 -0.63 0.00 0.00 0.00 175.10 175.03 1gqi s ILE 356 N -0.33 1.41 -0.18 2.22 1.01 0.30 -4.33 121.20 121.31 1gqi s ILE 356 Ca 0.06 -0.62 -0.27 0.00 0.00 0.00 0.00 60.65 59.81 1gqi s ILE 356 Cb -0.12 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 1gqi s ILE 356 CO 0.02 0.42 0.93 -0.22 0.00 0.00 0.00 174.94 176.09 1gqi s LEU 357 N 0.76 4.16 -0.38 2.97 2.96 -0.00 -0.56 118.68 128.60 1gqi s LEU 357 Ca -0.12 1.30 -0.15 0.00 -0.22 0.00 0.00 54.13 54.94 1gqi s LEU 357 Cb -0.16 -3.39 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1gqi s LEU 357 CO 0.02 -0.49 0.34 -1.58 -1.32 0.00 0.00 176.35 173.32 1gqi s GLN 358 N 2.45 3.29 -0.11 1.98 0.74 0.11 -0.90 119.66 127.23 1gqi s GLN 358 Ca 0.42 -0.70 0.04 0.00 0.05 0.00 0.00 55.36 55.17 1gqi s GLN 358 Cb -0.16 -3.89 0.00 0.00 1.10 0.00 0.00 33.01 30.06 1gqi s GLN 358 CO 0.12 -0.64 -0.24 0.42 -0.55 0.00 0.00 175.29 174.40 1gqi s ILE 359 N 1.90 2.06 0.85 -2.34 1.01 -0.30 -0.93 121.20 123.44 1gqi s ILE 359 Ca 0.09 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 1gqi s ILE 359 Cb -0.17 -1.79 0.11 0.00 0.01 0.00 0.00 42.46 40.61 1gqi s ILE 359 CO 0.11 0.56 1.13 -0.54 0.00 0.00 0.00 174.94 176.21 1gqi s LYS 360 N 0.42 1.54 0.45 2.79 1.02 -1.26 -0.67 119.74 124.04 1gqi s LYS 360 Ca -0.17 1.44 0.12 0.00 0.02 0.00 0.00 55.97 57.38 1gqi s LYS 360 Cb -0.18 -1.80 1.04 0.00 -0.52 0.00 0.00 37.83 36.38 1gqi s LYS 360 CO 0.07 -2.22 2.06 -2.95 -0.92 0.00 0.00 175.35 171.39 1gqi h ASN 361 N -1.47 0.30 -3.52 2.83 -1.07 -1.88 -3.42 115.58 107.35 1gqi h ASN 361 Ca -0.44 -0.00 -0.45 0.00 0.07 0.00 0.00 56.30 55.48 1gqi h ASN 361 Cb 1.26 -0.07 -0.14 0.00 -2.07 0.00 0.00 38.32 37.30 1gqi h ASN 361 CO 0.46 0.20 -0.61 -0.83 0.07 0.00 0.00 177.43 176.72 1gqi s GLY 362 N -3.83 2.01 0.00 9.14 0.00 -1.26 -1.16 107.32 112.22 1gqi s GLY 362 Ca -0.07 -2.01 0.29 0.00 0.00 0.00 0.00 44.72 42.93 1gqi s GLY 362 CO 0.72 -1.77 1.92 -1.55 0.00 0.00 0.00 173.10 172.43 1gqi n PRO 363 N -0.64 0.36 0.00 2.90 -0.04 -1.26 -4.56 135.00 131.76 1gqi n PRO 363 Ca -0.02 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1gqi n PRO 363 Cb 0.67 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1gqi n PRO 363 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1gqi n ILE 364 N -1.26 0.00 -2.69 0.52 2.08 -1.26 -4.72 119.36 112.02 1gqi n ILE 364 Ca 0.12 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.38 1gqi n ILE 364 Cb 0.28 -0.54 0.05 0.00 -0.75 0.00 0.00 39.64 38.68 1gqi n ILE 364 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1gqi n ASP 365 N -0.23 -1.88 -2.78 4.38 2.03 -1.26 -5.00 116.55 111.81 1gqi n ASP 365 Ca 0.00 -1.92 -0.18 0.00 0.52 0.00 0.00 54.79 53.21 1gqi n ASP 365 Cb 0.00 1.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.44 1gqi n ASP 365 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1gqi n PHE 366 N 2.04 -1.56 -1.55 -0.67 3.72 -1.26 -4.93 117.46 113.25 1gqi n PHE 366 Ca 0.08 0.22 -0.32 0.00 -0.05 0.00 0.00 57.45 57.38 1gqi n PHE 366 Cb 0.66 -3.28 0.06 0.00 -0.94 0.00 0.00 39.48 35.98 1gqi n PHE 366 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1gqi s GLN 367 N -5.41 2.66 0.47 -1.08 -1.52 -1.26 -4.78 119.66 108.75 1gqi s GLN 367 Ca 0.16 1.19 0.24 0.00 -1.95 0.00 0.00 55.36 55.00 1gqi s GLN 367 Cb -0.08 -1.95 1.26 0.00 -0.22 0.00 0.00 33.01 32.03 1gqi s GLN 367 CO 0.19 -1.33 1.87 -1.35 -0.25 0.00 0.00 175.29 174.43 1gqi h PRO 368 N -0.54 0.21 -3.40 2.91 0.11 -1.92 -3.35 132.00 126.03 1gqi h PRO 368 Ca -0.45 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.40 1gqi h PRO 368 Cb 1.23 -0.05 -0.31 0.00 0.11 0.00 0.00 31.00 31.98 1gqi h PRO 368 CO 0.54 0.14 -0.63 0.50 -0.21 0.00 0.00 178.00 178.33 1gqi s ARG 369 N -5.22 0.06 0.05 1.05 3.52 -1.26 -4.91 118.95 112.24 1gqi s ARG 369 Ca -0.07 0.25 0.03 0.00 -0.13 0.00 0.00 55.73 55.81 1gqi s ARG 369 Cb 0.22 -0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.46 1gqi s ARG 369 CO 0.78 -0.12 -0.09 -1.21 -0.81 0.00 0.00 175.30 173.85 1gqi s GLU 370 N 0.81 0.58 0.79 5.12 2.02 -1.26 -4.97 118.70 121.80 1gqi s GLU 370 Ca -0.06 -0.77 -0.11 0.00 0.02 0.00 0.00 54.97 54.05 1gqi s GLU 370 Cb -0.09 -0.40 0.07 0.00 0.10 0.00 0.00 34.13 33.82 1gqi s GLU 370 CO -0.03 0.08 1.11 -1.25 0.02 0.00 0.00 175.26 175.18 1gqi s PRO 371 N -1.54 2.05 0.54 0.39 0.04 -1.26 -4.87 135.00 130.34 1gqi s PRO 371 Ca -0.08 1.27 -0.21 0.00 0.04 0.00 0.00 61.00 62.02 1gqi s PRO 371 Cb -0.10 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1gqi s PRO 371 CO 0.01 -1.82 1.30 -0.59 0.04 0.00 0.00 177.00 175.94 1gqi s PHE 372 N -2.80 2.40 -0.01 0.56 -0.12 -1.26 -4.23 117.98 112.52 1gqi s PHE 372 Ca 0.63 1.43 -0.30 0.00 -0.05 0.00 0.00 56.93 58.64 1gqi s PHE 372 Cb -0.19 -3.67 -0.07 0.00 -0.63 0.00 0.00 43.02 38.46 1gqi s PHE 372 CO 0.55 -2.55 1.84 -1.12 -0.05 0.00 0.00 175.22 173.89 1gqi s SER 373 N -1.14 6.52 0.54 1.98 0.01 -0.31 -4.72 113.70 116.57 1gqi s SER 373 Ca 0.72 2.47 0.25 0.00 1.31 0.00 0.00 55.95 60.69 1gqi s SER 373 Cb -0.37 -2.53 1.41 0.00 0.21 0.00 0.00 66.02 64.74 1gqi s SER 373 CO 0.43 -1.02 2.02 0.00 0.41 0.00 0.00 173.24 175.08 1gqi h ALA 374 N 10.25 2.36 -0.83 1.44 0.00 -1.91 -1.33 119.26 129.23 1gqi h ALA 374 Ca -0.45 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.58 1gqi h ALA 374 Cb 1.21 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1gqi h ALA 374 CO 0.95 -0.54 0.54 -0.07 0.00 0.00 0.00 179.25 180.13 1gqi h LEU 375 N 0.00 0.58 -1.90 0.00 3.38 -1.89 -1.76 115.31 113.72 1gqi h LEU 375 Ca 0.20 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1gqi h LEU 375 Cb 0.84 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1gqi h LEU 375 CO -0.00 0.31 0.15 -0.26 0.09 0.00 0.00 178.44 178.72 1gqi h PHE 376 N 0.62 0.13 -0.00 1.13 0.04 -1.61 -1.63 116.94 115.61 1gqi h PHE 376 Ca 0.41 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.18 1gqi h PHE 376 Cb 0.70 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.81 1gqi h PHE 376 CO -0.00 0.07 -0.67 0.00 -0.60 0.00 0.00 178.31 177.11 1gqi n ALA 377 N -2.54 4.00 -0.07 2.45 0.00 -0.70 -4.52 120.51 119.12 1gqi n ALA 377 Ca 0.01 -0.54 -0.07 0.00 0.00 0.00 0.00 53.44 52.84 1gqi n ALA 377 Cb 0.20 -0.89 -0.11 0.00 0.00 0.00 0.00 19.45 18.64 1gqi n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gqi n GLY 378 N 1.46 -0.70 3.56 0.00 0.00 -0.77 -4.84 105.19 103.90 1gqi n GLY 378 Ca 0.07 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1gqi n GLY 378 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1gqi s MET 379 N -2.35 3.54 0.00 1.61 -1.94 -0.69 -4.88 119.30 114.59 1gqi s MET 379 Ca -0.08 0.14 0.13 0.00 -1.71 0.00 0.00 55.69 54.17 1gqi s MET 379 Cb 0.04 -3.91 0.09 0.00 2.01 0.00 0.00 34.83 33.06 1gqi s MET 379 CO 0.58 -1.16 0.89 -1.13 -0.01 0.00 0.00 175.02 174.20 1gqi n SER 380 N 7.00 2.00 -0.93 3.03 3.41 -1.26 -4.58 113.62 122.28 1gqi n SER 380 Ca 0.05 -1.50 0.04 0.00 -0.26 0.00 0.00 58.87 57.20 1gqi n SER 380 Cb 0.48 0.07 0.06 0.00 -0.26 0.00 0.00 64.21 64.56 1gqi n SER 380 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gqi n ARG 381 N 0.61 0.42 -3.93 4.33 1.74 -1.26 -4.82 116.66 113.76 1gqi n ARG 381 Ca 0.07 -2.04 -0.14 0.00 -0.77 0.00 0.00 57.85 54.97 1gqi n ARG 381 Cb 0.32 -0.58 -0.15 0.00 -1.02 0.00 0.00 32.46 31.04 1gqi n ARG 381 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1gqi s THR 382 N -0.89 0.10 0.36 0.55 2.01 -1.26 -3.20 115.64 113.31 1gqi s THR 382 Ca 0.26 -0.01 -0.28 0.00 0.31 0.00 0.00 61.69 61.97 1gqi s THR 382 Cb 0.28 -0.12 -0.10 0.00 0.01 0.00 0.00 72.50 72.57 1gqi s THR 382 CO -0.09 0.05 1.33 0.20 -0.69 0.00 0.00 174.62 175.42 1gqi s ASN 383 N 0.21 6.59 0.09 3.53 0.01 -1.26 -4.95 114.94 119.15 1gqi s ASN 383 Ca -0.02 2.73 0.03 0.00 -0.71 0.00 0.00 52.86 54.89 1gqi s ASN 383 Cb -0.03 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 1gqi s ASN 383 CO -0.01 -0.67 -0.08 -0.04 -1.51 0.00 0.00 177.10 174.80 1gqi s MET 384 N -1.96 0.78 0.03 -0.60 -1.94 -1.26 -0.82 119.30 113.53 1gqi s MET 384 Ca 0.52 -1.15 -0.10 0.00 -1.71 0.00 0.00 55.69 53.25 1gqi s MET 384 Cb -0.40 -0.36 0.01 0.00 2.01 0.00 0.00 34.83 36.08 1gqi s MET 384 CO 0.53 0.04 0.20 0.00 -0.01 0.00 0.00 175.02 175.78 1gqi s MET 385 N -2.95 0.66 0.15 2.03 0.23 -0.07 -4.12 119.30 115.22 1gqi s MET 385 Ca 0.05 -0.54 -0.12 0.00 -1.03 0.00 0.00 55.69 54.05 1gqi s MET 385 Cb -0.01 0.28 -0.07 0.00 -1.53 0.00 0.00 34.83 33.50 1gqi s MET 385 CO -0.02 -0.19 0.51 1.41 -2.03 0.00 0.00 175.02 174.70 1gqi s MET 386 N -2.26 3.88 -0.21 3.16 1.75 -1.01 -1.15 119.30 123.46 1gqi s MET 386 Ca -0.07 0.35 0.02 0.00 -1.25 0.00 0.00 55.69 54.73 1gqi s MET 386 Cb -0.02 -2.88 0.04 0.00 2.84 0.00 0.00 34.83 34.80 1gqi s MET 386 CO -0.02 0.46 -0.16 -2.00 -0.65 0.00 0.00 175.02 172.65 1gqi s GLU 387 N -2.17 2.66 0.05 4.11 2.12 0.16 -0.21 118.70 125.41 1gqi s GLU 387 Ca 0.39 -1.01 0.01 0.00 0.36 0.00 0.00 54.97 54.72 1gqi s GLU 387 Cb -0.14 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.55 1gqi s GLU 387 CO 0.20 -0.35 0.12 -0.06 -0.54 0.00 0.00 175.26 174.63 1gqi s PHE 388 N 1.23 3.33 -0.20 5.30 2.99 -0.11 -2.40 117.98 128.11 1gqi s PHE 388 Ca -0.00 0.18 -0.06 0.00 0.00 0.00 0.00 56.93 57.04 1gqi s PHE 388 Cb -0.16 -1.70 -0.03 0.00 0.00 0.00 0.00 43.02 41.13 1gqi s PHE 388 CO -0.10 0.56 0.03 -1.14 -0.00 0.00 0.00 175.22 174.56 1gqi s GLN 389 N -2.23 3.71 -0.26 0.44 0.74 -1.26 -0.68 119.66 120.12 1gqi s GLN 389 Ca 0.29 -0.47 -0.16 0.00 0.05 0.00 0.00 55.36 55.07 1gqi s GLN 389 Cb -0.12 -3.15 -0.13 0.00 1.10 0.00 0.00 33.01 30.71 1gqi s GLN 389 CO 0.21 0.04 -0.25 -0.89 -0.55 0.00 0.00 175.29 173.86 1gqi n ILE 390 N 4.19 1.53 -1.65 -2.34 -0.00 0.06 -4.89 119.36 116.25 1gqi n ILE 390 Ca -0.17 -0.27 -0.44 0.00 -0.00 0.00 0.00 62.75 61.88 1gqi n ILE 390 Cb 0.52 -1.95 -0.01 0.00 -0.00 0.00 0.00 39.64 38.19 1gqi n ILE 390 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1gqi n THR 391 N -4.31 1.96 -1.92 1.39 5.66 -0.68 -4.83 114.28 111.56 1gqi n THR 391 Ca -0.47 -0.49 -0.37 0.00 -3.05 0.00 0.00 64.05 59.67 1gqi n THR 391 Cb 0.81 -1.31 -0.01 0.00 -1.55 0.00 0.00 70.33 68.27 1gqi n THR 391 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gqi n GLN 392 N 0.68 4.09 -0.36 1.09 6.02 -1.26 -4.65 117.38 122.98 1gqi n GLN 392 Ca 0.07 -3.29 0.06 0.00 -0.01 0.00 0.00 57.00 53.83 1gqi n GLN 392 Cb 0.34 -2.49 0.23 0.00 1.02 0.00 0.00 30.24 29.34 1gqi n GLN 392 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1gqi h GLU 393 N 4.12 0.99 -0.10 -1.09 4.81 -1.88 0.57 114.58 122.00 1gqi h GLU 393 Ca 0.61 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.78 1gqi h GLU 393 Cb 0.40 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1gqi h GLU 393 CO 1.30 0.66 0.00 0.66 -0.73 0.00 0.00 179.01 180.89 1gqi n TYR 394 N -4.60 0.12 -1.17 0.92 4.01 -1.26 -4.55 117.16 110.63 1gqi n TYR 394 Ca 0.18 -0.24 0.09 0.00 -0.16 0.00 0.00 57.90 57.78 1gqi n TYR 394 Cb 0.33 -0.02 0.14 0.00 -0.31 0.00 0.00 39.34 39.48 1gqi n TYR 394 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1gqi n PHE 395 N 0.22 0.00 -0.03 -0.72 3.72 -1.15 -4.81 117.46 114.69 1gqi n PHE 395 Ca 0.05 -0.99 0.00 0.00 -0.05 0.00 0.00 57.45 56.46 1gqi n PHE 395 Cb 0.25 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1gqi n PHE 395 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gqi n GLY 396 N -1.33 1.89 7.00 1.37 0.00 -1.11 -4.53 105.19 108.47 1gqi n GLY 396 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1gqi n GLY 396 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gqi n PHE 397 N -1.13 0.00 -0.62 1.61 3.01 0.17 -1.79 117.46 118.71 1gqi n PHE 397 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 1gqi n PHE 397 Cb 0.01 0.00 0.26 0.00 -0.01 0.00 0.00 39.48 39.73 1gqi n PHE 397 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1gqi n ALA 398 N 11.93 2.79 0.05 4.37 0.00 -1.26 -4.46 120.51 133.93 1gqi n ALA 398 Ca 0.00 -1.72 0.06 0.00 0.00 0.00 0.00 53.44 51.78 1gqi n ALA 398 Cb 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 18.64 1gqi n ALA 398 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1gqi n THR 399 N 0.32 0.00 -4.04 0.00 -2.24 -0.74 -4.04 114.28 103.54 1gqi n THR 399 Ca 0.20 -0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.35 1gqi n THR 399 Cb 0.75 0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 69.22 1gqi n THR 399 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1gqi s HIS 400 N -2.77 3.43 -0.30 4.78 3.76 -1.05 -4.09 115.29 119.05 1gqi s HIS 400 Ca -0.04 0.36 -0.22 0.00 -0.15 0.00 0.00 55.06 55.02 1gqi s HIS 400 Cb 0.08 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.91 1gqi s HIS 400 CO 0.50 0.63 0.70 -1.17 -0.85 0.00 0.00 174.74 174.54 1gqi s LEU 401 N -1.26 4.12 -0.46 0.89 0.20 -1.26 -4.87 118.68 116.03 1gqi s LEU 401 Ca 0.18 0.55 0.06 0.00 0.69 0.00 0.00 54.13 55.61 1gqi s LEU 401 Cb -0.12 -2.93 0.18 0.00 -0.43 0.00 0.00 46.19 42.89 1gqi s LEU 401 CO 0.08 -0.52 0.56 0.00 -0.29 0.00 0.00 176.35 176.17 1gqi s ALA 402 N 2.74 -0.69 0.08 5.97 0.00 -1.26 -4.78 121.76 123.81 1gqi s ALA 402 Ca 0.28 -1.20 -0.31 0.00 0.00 0.00 0.00 51.96 50.74 1gqi s ALA 402 Cb -0.15 -2.25 -0.09 0.00 0.00 0.00 0.00 23.12 20.63 1gqi s ALA 402 CO 0.12 -2.13 1.84 -0.47 0.00 0.00 0.00 175.76 175.12 1gqi s TYR 403 N 0.64 1.88 -1.64 0.00 5.04 -1.26 -4.86 117.35 117.15 1gqi s TYR 403 Ca 0.30 -0.11 0.26 0.00 -2.44 0.00 0.00 57.07 55.08 1gqi s TYR 403 Cb 0.00 -4.16 0.78 0.00 0.35 0.00 0.00 41.96 38.93 1gqi s TYR 403 CO -0.10 -4.92 1.58 1.04 -1.34 0.00 0.00 175.55 171.81 1gqi n GLN 404 N 6.38 0.71 -0.29 4.97 1.13 -1.26 -4.15 117.38 124.88 1gqi n GLN 404 Ca 0.18 -0.40 0.05 0.00 -1.94 0.00 0.00 57.00 54.89 1gqi n GLN 404 Cb 0.40 -1.49 0.15 0.00 0.11 0.00 0.00 30.24 29.40 1gqi n GLN 404 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1gqi h GLY 405 N 4.94 0.76 2.00 1.08 0.00 -1.88 0.03 103.07 110.00 1gqi h GLY 405 Ca 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 1gqi h GLY 405 CO 0.00 -0.34 -0.20 -2.55 0.00 0.00 0.00 176.54 173.45 1gqi h PRO 406 N 0.03 0.00 -0.15 4.80 0.11 -1.91 0.27 132.00 135.14 1gqi h PRO 406 Ca 0.43 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.48 1gqi h PRO 406 Cb 0.73 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 1gqi h PRO 406 CO -0.82 0.20 -0.14 1.25 -0.21 0.00 0.00 178.00 178.28 1gqi h LEU 407 N 0.00 0.39 -0.24 2.35 6.46 -1.32 -1.02 115.31 121.93 1gqi h LEU 407 Ca -0.00 -0.48 -0.02 0.00 -0.12 0.00 0.00 57.88 57.26 1gqi h LEU 407 Cb 0.38 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1gqi h LEU 407 CO 0.03 0.78 0.08 -0.26 -0.62 0.00 0.00 178.44 178.45 1gqi h PHE 408 N -0.00 0.38 -0.56 1.25 0.04 -0.83 -1.90 116.94 115.31 1gqi h PHE 408 Ca 0.02 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1gqi h PHE 408 Cb 0.67 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 1gqi h PHE 408 CO 0.08 0.42 0.33 1.49 -0.60 0.00 0.00 178.31 180.03 1gqi h GLU 409 N 0.22 0.76 -0.48 1.51 4.81 -0.98 -0.66 114.58 119.77 1gqi h GLU 409 Ca 0.08 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1gqi h GLU 409 Cb 0.22 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1gqi h GLU 409 CO -0.00 0.56 0.23 1.49 -0.73 0.00 0.00 179.01 180.56 1gqi h GLU 410 N 0.75 0.45 0.27 1.92 4.81 -1.06 -0.33 114.58 121.39 1gqi h GLU 410 Ca 0.20 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1gqi h GLU 410 Cb 0.00 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1gqi h GLU 410 CO -0.04 0.30 -0.17 0.77 -0.73 0.00 0.00 179.01 179.14 1gqi h SER 411 N 0.46 -0.42 0.10 1.04 0.02 -1.04 -2.66 113.55 111.05 1gqi h SER 411 Ca 0.21 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.10 1gqi h SER 411 Cb 0.13 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1gqi h SER 411 CO -0.15 -0.27 -0.27 -0.07 -1.14 0.00 0.00 176.83 174.93 1gqi h LEU 412 N -0.42 0.27 -1.82 5.07 3.38 -0.75 -1.72 115.31 119.32 1gqi h LEU 412 Ca -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1gqi h LEU 412 Cb 0.35 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1gqi h LEU 412 CO 0.03 0.55 0.00 0.29 0.09 0.00 0.00 178.44 179.39 1gqi n LYS 413 N -4.14 2.15 -2.17 1.13 5.02 -0.16 -0.79 118.16 119.21 1gqi n LYS 413 Ca -0.01 -1.78 -0.42 0.00 -2.02 0.00 0.00 58.31 54.08 1gqi n LYS 413 Cb 0.38 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 1gqi n LYS 413 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1gqi s THR 414 N -1.38 3.58 -0.04 -0.18 2.01 -0.65 -4.82 115.64 114.15 1gqi s THR 414 Ca 0.34 0.98 -0.30 0.00 0.31 0.00 0.00 61.69 63.02 1gqi s THR 414 Cb 0.18 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1gqi s THR 414 CO 0.24 -0.00 1.09 -0.70 -0.69 0.00 0.00 174.62 174.56 1gqi s GLU 415 N 2.43 4.43 -0.01 4.92 2.56 -1.26 -1.53 118.70 130.23 1gqi s GLU 415 Ca 0.66 1.54 0.18 0.00 0.00 0.00 0.00 54.97 57.35 1gqi s GLU 415 Cb -0.33 -3.50 -0.24 0.00 2.00 0.00 0.00 34.13 32.06 1gqi s GLU 415 CO 0.28 -0.30 0.54 0.25 -0.56 0.00 0.00 175.26 175.46 1gqi n THR 416 N 4.35 0.00 -2.19 -1.70 -2.24 -0.59 -4.97 114.28 106.95 1gqi n THR 416 Ca 0.09 -0.27 -0.17 0.00 -2.27 0.00 0.00 64.05 61.42 1gqi n THR 416 Cb 0.48 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 69.16 1gqi n THR 416 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1gqi n HIS 417 N -1.82 -0.93 -0.20 4.78 -0.00 -1.26 -4.57 115.22 111.23 1gqi n HIS 417 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 1gqi n HIS 417 Cb 0.38 -3.36 0.04 0.00 -0.00 0.00 0.00 29.99 27.05 1gqi n HIS 417 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1gqi h ALA 418 N 0.84 0.73 -1.45 -1.41 0.00 -1.89 -3.36 119.26 112.72 1gqi h ALA 418 Ca -0.40 -0.03 -0.42 0.00 0.00 0.00 0.00 54.91 54.06 1gqi h ALA 418 Cb 1.26 -0.21 -0.29 0.00 0.00 0.00 0.00 17.79 18.55 1gqi h ALA 418 CO 0.49 0.12 -0.84 -2.13 0.00 0.00 0.00 179.25 176.90 1gqi n ARG 419 N -4.72 0.58 0.00 0.00 0.63 -1.26 -5.06 116.66 106.83 1gqi n ARG 419 Ca 0.04 -2.67 0.00 0.00 -0.92 0.00 0.00 57.85 54.30 1gqi n ARG 419 Cb 0.04 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.53 1gqi n ARG 419 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1gqi n GLY 420 N 2.03 -1.60 3.74 5.14 0.00 -1.26 -4.72 105.19 108.53 1gqi n GLY 420 Ca 0.20 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 1gqi n GLY 420 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gqi s GLU 421 N -1.75 2.92 0.00 1.61 2.12 -1.26 -3.02 118.70 119.32 1gqi s GLU 421 Ca 0.00 2.11 0.00 0.00 0.36 0.00 0.00 54.97 57.44 1gqi s GLU 421 Cb 0.00 -2.07 0.00 0.00 0.26 0.00 0.00 34.13 32.32 1gqi s GLU 421 CO 0.00 -1.32 0.00 0.41 -0.54 0.00 0.00 175.26 173.81 1gqi n GLY 422 N 0.76 0.75 2.33 -1.50 0.00 -1.26 -4.95 105.19 101.32 1gqi n GLY 422 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1gqi n GLY 422 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gqi n SER 423 N 0.00 7.39 -4.79 1.61 7.64 -1.17 -4.78 113.62 119.53 1gqi n SER 423 Ca 0.00 -2.85 -0.31 0.00 1.01 0.00 0.00 58.87 56.72 1gqi n SER 423 Cb 0.00 -1.41 0.07 0.00 -1.01 0.00 0.00 64.21 61.86 1gqi n SER 423 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1gqi s THR 424 N 0.07 3.62 0.19 0.44 -4.23 -1.26 -1.54 115.64 112.93 1gqi s THR 424 Ca 0.62 0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 61.58 1gqi s THR 424 Cb 0.25 -3.15 0.11 0.00 1.34 0.00 0.00 72.50 71.05 1gqi s THR 424 CO -0.09 -0.66 1.77 0.40 -0.54 0.00 0.00 174.62 175.50 1gqi h ILE 425 N -0.77 0.89 -0.61 2.99 1.08 -1.25 0.19 117.51 120.03 1gqi h ILE 425 Ca -0.44 -0.16 0.06 0.00 -0.39 0.00 0.00 64.86 63.93 1gqi h ILE 425 Cb 1.22 0.37 -0.05 0.00 -3.07 0.00 0.00 36.82 35.29 1gqi h ILE 425 CO 0.54 0.09 0.31 1.23 -0.69 0.00 0.00 178.15 179.63 1gqi h GLY 426 N 0.48 0.88 1.74 5.37 0.00 -1.22 0.48 103.07 110.81 1gqi h GLY 426 Ca 0.26 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 1gqi h GLY 426 CO -0.21 0.11 -0.33 3.43 0.00 0.00 0.00 176.54 179.53 1gqi h ASN 427 N 0.58 0.30 -0.16 0.19 2.35 -1.60 -0.38 115.58 116.85 1gqi h ASN 427 Ca 0.28 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1gqi h ASN 427 Cb 0.21 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1gqi h ASN 427 CO -0.20 0.62 0.03 0.40 -1.65 0.00 0.00 177.43 176.64 1gqi h ILE 428 N 0.26 1.21 -0.77 2.81 2.04 -0.48 -2.96 117.51 119.62 1gqi h ILE 428 Ca 0.03 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.26 1gqi h ILE 428 Cb 0.72 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 1gqi h ILE 428 CO 0.05 0.21 0.47 -0.07 0.00 0.00 0.00 178.15 178.81 1gqi h LEU 429 N 0.06 0.74 -2.78 1.44 3.38 -0.57 -1.40 115.31 116.19 1gqi h LEU 429 Ca 0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1gqi h LEU 429 Cb 0.29 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1gqi h LEU 429 CO 0.00 0.49 -0.00 -0.08 0.09 0.00 0.00 178.44 178.94 1gqi h GLU 430 N 0.88 0.00 0.00 1.13 4.81 -0.95 -3.39 114.58 117.06 1gqi h GLU 430 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1gqi h GLU 430 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1gqi h GLU 430 CO -0.15 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.54 1gqi n GLY 431 N -1.05 0.45 0.21 1.92 0.00 -0.53 -4.96 105.19 101.24 1gqi n GLY 431 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1gqi n GLY 431 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqi h LYS 432 N 4.07 0.00 0.00 1.61 1.57 -1.73 0.06 116.57 122.16 1gqi h LYS 432 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1gqi h LYS 432 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1gqi h LYS 432 CO 0.00 0.16 -0.09 0.28 -0.57 0.00 0.00 179.45 179.22 1gqi h VAL 433 N 0.00 1.74 -0.01 0.50 2.07 -1.83 -3.39 116.25 115.34 1gqi h VAL 433 Ca -0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 1gqi h VAL 433 Cb 0.97 3.32 0.00 0.00 -1.52 0.00 0.00 31.29 34.07 1gqi h VAL 433 CO 0.02 0.59 -0.47 0.49 0.02 0.00 0.00 177.57 178.23 1gqi n PHE 434 N -4.59 0.00 -2.52 1.57 3.72 -1.25 -5.01 117.46 109.38 1gqi n PHE 434 Ca -0.11 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.24 1gqi n PHE 434 Cb 0.50 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.06 1gqi n PHE 434 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1gqi n LYS 435 N -0.53 -1.10 -3.83 -1.08 4.76 -0.01 -4.84 118.16 111.53 1gqi n LYS 435 Ca 0.05 0.83 -0.22 0.00 -2.87 0.00 0.00 58.31 56.10 1gqi n LYS 435 Cb 0.31 -4.15 -0.05 0.00 -1.84 0.00 0.00 35.03 29.30 1gqi n LYS 435 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1gqi s THR 436 N -3.12 2.78 -0.14 -0.18 -4.23 -1.08 -5.06 115.64 104.62 1gqi s THR 436 Ca 0.14 -1.49 0.17 0.00 -1.18 0.00 0.00 61.69 59.33 1gqi s THR 436 Cb -0.02 -3.02 -0.24 0.00 1.34 0.00 0.00 72.50 70.56 1gqi s THR 436 CO 0.46 -0.06 0.16 0.54 -0.54 0.00 0.00 174.62 175.17 1gqi n ARG 437 N -1.37 0.94 -4.61 3.99 1.74 -1.26 -4.84 116.66 111.24 1gqi n ARG 437 Ca 0.00 -0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.70 1gqi n ARG 437 Cb 0.62 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 30.44 1gqi n ARG 437 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1gqi s HIS 438 N -2.67 2.76 0.15 -1.55 3.76 -1.26 -5.08 115.29 111.40 1gqi s HIS 438 Ca -0.08 -1.05 0.05 0.00 -0.15 0.00 0.00 55.06 53.83 1gqi s HIS 438 Cb 0.07 -1.86 -0.04 0.00 1.11 0.00 0.00 32.58 31.85 1gqi s HIS 438 CO 0.76 -0.47 -0.11 0.95 -0.85 0.00 0.00 174.74 175.02 1gqi s THR 439 N 0.75 1.22 0.00 1.30 -4.23 -1.26 -4.25 115.64 109.16 1gqi s THR 439 Ca -0.07 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1gqi s THR 439 Cb -0.16 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1gqi s THR 439 CO 0.01 -0.72 0.00 0.61 -0.54 0.00 0.00 174.62 173.98 1gqi n GLY 440 N -0.17 -0.38 3.02 3.99 0.00 -1.26 -0.75 105.19 109.64 1gqi n GLY 440 Ca -0.10 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 1gqi n GLY 440 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1gqi s MET 441 N -2.00 0.17 -0.02 1.61 -1.94 -0.53 -2.39 119.30 114.20 1gqi s MET 441 Ca 0.00 0.21 0.08 0.00 -1.71 0.00 0.00 55.69 54.27 1gqi s MET 441 Cb 0.00 0.08 -0.02 0.00 2.01 0.00 0.00 34.83 36.90 1gqi s MET 441 CO 0.00 -0.02 -0.26 0.00 -0.01 0.00 0.00 175.02 174.73 1gqi s ALA 442 N 0.10 2.17 -0.12 3.03 0.00 0.71 -1.31 121.76 126.34 1gqi s ALA 442 Ca -0.00 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1gqi s ALA 442 Cb -0.01 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1gqi s ALA 442 CO 0.00 0.53 -0.14 0.20 0.00 0.00 0.00 175.76 176.35 1gqi s GLY 443 N -0.61 1.04 -0.72 0.00 0.00 -0.48 -0.94 107.32 105.60 1gqi s GLY 443 Ca 0.10 -0.76 -0.25 0.00 0.00 0.00 0.00 44.72 43.81 1gqi s GLY 443 CO -0.01 0.36 1.15 0.14 0.00 0.00 0.00 173.10 174.75 1gqi s VAL 444 N 1.18 4.00 -0.17 1.40 1.01 0.15 -0.65 120.40 127.32 1gqi s VAL 444 Ca -0.02 -0.01 0.13 0.00 0.00 0.00 0.00 61.98 62.07 1gqi s VAL 444 Cb -0.14 -4.83 -0.23 0.00 0.00 0.00 0.00 36.38 31.18 1gqi s VAL 444 CO -0.05 -1.69 0.16 2.30 0.00 0.00 0.00 175.10 175.82 1gqi n ILE 445 N 6.19 1.47 -4.28 2.22 -5.35 -0.71 -0.77 119.36 118.14 1gqi n ILE 445 Ca 0.02 -0.79 -0.32 0.00 -0.27 0.00 0.00 62.75 61.39 1gqi n ILE 445 Cb 0.48 -0.80 -0.09 0.00 -1.74 0.00 0.00 39.64 37.49 1gqi n ILE 445 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1gqi n ASN 446 N -2.93 0.57 -4.02 7.28 3.02 -1.24 -3.98 115.26 113.96 1gqi n ASN 446 Ca -0.32 -1.26 -0.30 0.00 -0.03 0.00 0.00 54.58 52.67 1gqi n ASN 446 Cb 1.11 -1.56 0.22 0.00 -0.61 0.00 0.00 39.78 38.93 1gqi n ASN 446 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1gqi s PRO 447 N -7.33 -0.55 0.01 3.52 0.04 -1.26 -4.38 135.00 125.05 1gqi s PRO 447 Ca 0.04 -0.07 -0.00 0.00 0.04 0.00 0.00 61.00 61.00 1gqi s PRO 447 Cb -0.02 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1gqi s PRO 447 CO 0.98 -3.26 0.03 0.41 0.04 0.00 0.00 177.00 175.19 1gqi n GLY 448 N -1.63 2.21 0.00 0.56 0.00 -0.53 -4.64 105.19 101.15 1gqi n GLY 448 Ca 0.12 -1.10 0.10 0.00 0.00 0.00 0.00 46.02 45.14 1gqi n GLY 448 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gqi n THR 449 N -0.02 0.31 -1.54 2.61 -2.24 -0.05 -4.36 114.28 108.99 1gqi n THR 449 Ca -0.00 0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.46 1gqi n THR 449 Cb 0.02 -0.74 0.03 0.00 -2.10 0.00 0.00 70.33 67.54 1gqi n THR 449 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gqi n ASP 450 N -1.23 0.04 -0.24 3.42 9.92 -0.70 -4.83 116.55 122.93 1gqi n ASP 450 Ca 0.11 0.87 0.11 0.00 -0.53 0.00 0.00 54.79 55.34 1gqi n ASP 450 Cb 0.15 -1.26 0.38 0.00 -0.64 0.00 0.00 41.12 39.74 1gqi n ASP 450 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1gqi h ARG 451 N 0.77 0.68 -0.62 -1.24 9.65 -1.89 -0.49 114.38 121.24 1gqi h ARG 451 Ca -0.45 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1gqi h ARG 451 Cb 1.37 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1gqi h ARG 451 CO 0.51 0.45 0.00 0.27 2.80 0.00 0.00 179.97 184.00 1gqi n ASN 452 N -4.53 3.80 0.00 -3.80 6.94 -1.25 -3.41 115.26 113.01 1gqi n ASN 452 Ca 0.15 -2.34 0.00 0.00 -0.02 0.00 0.00 54.58 52.37 1gqi n ASN 452 Cb 0.41 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.32 1gqi n ASN 452 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 1gqi n TRP 453 N 0.83 0.00 -0.02 -2.53 7.02 -0.19 -4.43 117.44 118.12 1gqi n TRP 453 Ca 0.20 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.68 1gqi n TRP 453 Cb 0.72 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.61 1gqi n TRP 453 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1gqi n THR 454 N 0.00 0.00 0.00 -0.99 -2.24 -1.26 -1.46 114.28 108.33 1gqi n THR 454 Ca 0.00 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1gqi n THR 454 Cb 0.00 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1gqi n THR 454 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqi n GLY 455 N 0.44 2.27 3.70 3.38 0.00 -1.26 -4.52 105.19 109.19 1gqi n GLY 455 Ca 0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1gqi n GLY 455 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gqi s HIS 456 N 0.00 3.56 0.38 1.61 5.65 -1.26 -4.94 115.29 120.30 1gqi s HIS 456 Ca 0.00 1.57 0.13 0.00 0.25 0.00 0.00 55.06 57.01 1gqi s HIS 456 Cb 0.00 -3.11 0.94 0.00 -1.18 0.00 0.00 32.58 29.23 1gqi s HIS 456 CO 0.00 -0.12 1.85 -1.35 -0.65 0.00 0.00 174.74 174.47 1gqi h PRO 457 N 6.98 0.54 0.00 2.88 0.11 -1.91 -1.52 132.00 139.08 1gqi h PRO 457 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1gqi h PRO 457 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1gqi h PRO 457 CO 0.81 0.36 0.00 1.19 -0.21 0.00 0.00 178.00 180.14 1gqi n PHE 458 N -4.56 0.50 0.25 0.65 3.01 -1.26 -1.97 117.46 114.08 1gqi n PHE 458 Ca 0.19 0.17 0.10 0.00 1.01 0.00 0.00 57.45 58.92 1gqi n PHE 458 Cb 0.60 -0.77 0.67 0.00 -0.01 0.00 0.00 39.48 39.96 1gqi n PHE 458 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1gqi h VAL 459 N 0.00 0.80 -0.74 -4.37 2.07 -1.59 -1.35 116.25 111.06 1gqi h VAL 459 Ca 0.00 -0.46 0.08 0.00 0.82 0.00 0.00 66.70 67.15 1gqi h VAL 459 Cb 0.48 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 1gqi h VAL 459 CO 0.00 0.12 0.49 1.56 0.02 0.00 0.00 177.57 179.76 1gqi h GLN 460 N 0.00 0.68 -0.15 1.57 4.20 -1.54 -1.81 115.11 118.07 1gqi h GLN 460 Ca -0.00 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 1gqi h GLN 460 Cb 0.26 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1gqi h GLN 460 CO 0.02 0.45 -0.27 0.66 -0.67 0.00 0.00 178.83 179.01 1gqi h SER 461 N 0.70 0.27 -0.29 1.46 4.64 -1.41 -0.99 113.55 117.93 1gqi h SER 461 Ca 0.33 -0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 61.44 1gqi h SER 461 Cb 0.39 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1gqi h SER 461 CO -0.12 0.54 -0.34 0.28 -0.87 0.00 0.00 176.83 176.33 1gqi h SER 462 N 0.24 0.80 -0.57 4.97 0.02 -1.37 -1.29 113.55 116.36 1gqi h SER 462 Ca 0.04 -0.49 -0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1gqi h SER 462 Cb 0.61 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1gqi h SER 462 CO 0.04 1.13 0.35 -0.25 -1.14 0.00 0.00 176.83 176.96 1gqi h TRP 463 N 0.50 0.74 0.22 3.45 2.91 -1.17 -1.07 115.95 121.52 1gqi h TRP 463 Ca 0.04 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1gqi h TRP 463 Cb 0.92 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.31 1gqi h TRP 463 CO 0.07 0.49 -0.20 -0.92 -1.03 0.00 0.00 178.44 176.85 1gqi h TYR 464 N 0.77 -0.54 -0.59 2.65 3.20 -1.12 -2.04 116.97 119.30 1gqi h TYR 464 Ca 0.21 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.10 1gqi h TYR 464 Cb -0.04 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1gqi h TYR 464 CO -0.03 -0.31 0.37 0.00 -1.64 0.00 0.00 178.16 176.56 1gqi h ALA 465 N 0.28 0.75 -0.33 1.82 0.00 -1.13 -0.87 119.26 119.78 1gqi h ALA 465 Ca -0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1gqi h ALA 465 Cb 0.41 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1gqi h ALA 465 CO -0.04 0.13 0.00 0.35 0.00 0.00 0.00 179.25 179.69 1gqi h PHE 466 N 0.74 -0.01 -0.56 0.00 3.57 -0.95 0.29 116.94 120.03 1gqi h PHE 466 Ca 0.23 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 1gqi h PHE 466 Cb -0.03 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1gqi h PHE 466 CO -0.05 -0.05 0.01 0.78 -2.23 0.00 0.00 178.31 176.77 1gqi h GLY 467 N 0.10 1.07 1.00 2.40 0.00 -0.86 -0.60 103.07 106.17 1gqi h GLY 467 Ca 0.16 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1gqi h GLY 467 CO -0.26 0.72 0.25 3.21 0.00 0.00 0.00 176.54 180.45 1gqi h ARG 468 N 0.88 0.49 0.00 4.80 2.47 -0.86 -2.33 114.38 119.82 1gqi h ARG 468 Ca 0.16 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.77 1gqi h ARG 468 Cb 0.53 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1gqi h ARG 468 CO 0.03 0.33 -0.39 0.52 0.56 0.00 0.00 179.97 181.01 1gqi h MET 469 N 0.51 0.00 -0.19 0.04 2.86 -0.70 -0.50 114.93 116.95 1gqi h MET 469 Ca 0.14 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.70 1gqi h MET 469 Cb -0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1gqi h MET 469 CO -0.03 0.39 -0.25 0.00 1.06 0.00 0.00 176.91 178.08 1gqi h ALA 470 N 1.61 1.24 -0.03 6.32 0.00 -0.87 -1.97 119.26 125.55 1gqi h ALA 470 Ca -0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1gqi h ALA 470 Cb 0.87 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1gqi h ALA 470 CO 0.05 0.50 -0.27 2.35 0.00 0.00 0.00 179.25 181.88 1gqi h TRP 471 N 0.31 0.34 -2.80 0.00 2.91 -0.89 -3.35 115.95 112.47 1gqi h TRP 471 Ca 0.05 -0.16 -0.47 0.00 1.13 0.00 0.00 58.89 59.44 1gqi h TRP 471 Cb 0.61 -0.05 -0.39 0.00 -0.51 0.00 0.00 29.16 28.82 1gqi h TRP 471 CO 0.01 0.91 -0.74 0.34 -1.03 0.00 0.00 178.44 177.94 1gqi s ASP 472 N -6.32 2.76 0.00 2.65 -1.08 -0.25 -0.60 116.67 113.84 1gqi s ASP 472 Ca -0.15 -0.91 0.13 0.00 -0.52 0.00 0.00 52.55 51.10 1gqi s ASP 472 Cb 0.02 -0.17 0.62 0.00 -1.46 0.00 0.00 42.92 41.94 1gqi s ASP 472 CO 0.75 -0.39 1.33 0.00 0.52 0.00 0.00 175.17 177.38 1gqi n HIS 473 N 5.27 0.00 1.19 -5.34 1.44 -0.75 -1.47 115.22 115.57 1gqi n HIS 473 Ca -0.06 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.78 1gqi n HIS 473 Cb 0.45 -0.31 0.26 0.00 0.12 0.00 0.00 29.99 30.51 1gqi n HIS 473 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1gqi n GLN 474 N -1.31 1.62 -1.94 -1.40 6.02 -1.26 -4.79 117.38 114.32 1gqi n GLN 474 Ca 0.06 -1.18 -0.41 0.00 -0.01 0.00 0.00 57.00 55.45 1gqi n GLN 474 Cb 0.11 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 1gqi n GLN 474 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1gqi s ILE 475 N -2.19 2.43 0.46 5.09 1.01 -0.54 -4.98 121.20 122.47 1gqi s ILE 475 Ca 0.28 0.38 -0.08 0.00 0.00 0.00 0.00 60.65 61.23 1gqi s ILE 475 Cb 0.20 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 1gqi s ILE 475 CO 0.41 0.07 0.80 -0.94 0.00 0.00 0.00 174.94 175.28 1gqi s SER 476 N 0.21 6.38 0.40 3.58 1.04 -1.26 -4.89 113.70 119.16 1gqi s SER 476 Ca 0.58 1.07 0.07 0.00 0.48 0.00 0.00 55.95 58.15 1gqi s SER 476 Cb -0.44 -2.30 0.84 0.00 0.10 0.00 0.00 66.02 64.22 1gqi s SER 476 CO 0.49 -0.52 2.04 0.00 0.98 0.00 0.00 173.24 176.23 1gqi h ALA 477 N 0.67 1.73 -0.28 5.32 0.00 -1.94 -1.80 119.26 122.95 1gqi h ALA 477 Ca -0.47 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 1gqi h ALA 477 Cb 1.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1gqi h ALA 477 CO 0.63 0.23 -0.14 0.00 0.00 0.00 0.00 179.25 179.97 1gqi h ALA 478 N 1.71 0.40 -0.12 0.00 0.00 -1.94 -0.64 119.26 118.66 1gqi h ALA 478 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1gqi h ALA 478 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1gqi h ALA 478 CO -0.05 0.28 0.08 1.15 0.00 0.00 0.00 179.25 180.71 1gqi h THR 479 N 0.33 1.04 -0.58 0.00 2.02 -1.87 -0.72 112.91 113.14 1gqi h THR 479 Ca 0.06 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 1gqi h THR 479 Cb 0.66 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1gqi h THR 479 CO 0.04 0.04 0.10 0.00 0.37 0.00 0.00 175.52 176.07 1gqi h ALA 480 N 1.03 1.08 -0.59 6.16 0.00 -1.27 -2.03 119.26 123.65 1gqi h ALA 480 Ca 0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1gqi h ALA 480 Cb -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1gqi h ALA 480 CO -0.01 0.60 0.11 0.00 0.00 0.00 0.00 179.25 179.95 1gqi h ALA 481 N 1.23 0.78 -0.32 0.00 0.00 -0.85 -0.85 119.26 119.25 1gqi h ALA 481 Ca 0.18 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1gqi h ALA 481 Cb 0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1gqi h ALA 481 CO 0.01 0.52 0.13 0.22 0.00 0.00 0.00 179.25 180.12 1gqi h ASP 482 N 0.86 0.16 0.04 0.00 3.58 -0.84 0.30 116.42 120.53 1gqi h ASP 482 Ca 0.18 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1gqi h ASP 482 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1gqi h ASP 482 CO 0.01 0.13 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.15 1gqi h GLU 483 N 0.28 -0.05 -0.67 0.28 5.08 -1.20 -2.41 114.58 115.88 1gqi h GLU 483 Ca 0.14 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1gqi h GLU 483 Cb 0.09 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1gqi h GLU 483 CO -0.13 0.01 0.29 2.35 -1.00 0.00 0.00 179.01 180.54 1gqi h TRP 484 N -0.10 1.00 -0.56 4.33 7.01 -0.89 -0.89 115.95 125.85 1gqi h TRP 484 Ca -0.01 -0.06 -0.02 0.00 2.11 0.00 0.00 58.89 60.91 1gqi h TRP 484 Cb 0.09 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.82 1gqi h TRP 484 CO -0.06 0.77 0.26 -0.07 -2.79 0.00 0.00 178.44 176.55 1gqi h LEU 485 N 0.94 0.75 -0.60 0.65 3.38 -0.84 0.96 115.31 120.55 1gqi h LEU 485 Ca 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1gqi h LEU 485 Cb 0.17 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1gqi h LEU 485 CO -0.02 0.68 0.32 0.03 0.09 0.00 0.00 178.44 179.54 1gqi h ARG 486 N 0.76 0.84 -0.05 1.13 3.08 -1.08 0.51 114.38 119.57 1gqi h ARG 486 Ca 0.19 -0.10 -0.17 0.00 0.07 0.00 0.00 59.98 59.97 1gqi h ARG 486 Cb 0.14 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1gqi h ARG 486 CO -0.02 0.65 -0.71 0.52 -1.07 0.00 0.00 179.97 179.33 1gqi h MET 487 N 0.81 0.28 0.05 0.04 2.86 -0.90 -3.33 114.93 114.73 1gqi h MET 487 Ca 0.21 -0.23 -0.36 0.00 -2.06 0.00 0.00 59.70 57.27 1gqi h MET 487 Cb 0.06 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 1gqi h MET 487 CO -0.03 0.88 -2.12 2.41 1.06 0.00 0.00 176.91 179.10 1gqi n THR 488 N -3.80 1.61 0.06 2.22 -1.04 0.31 -4.31 114.28 109.32 1gqi n THR 488 Ca -0.03 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.28 1gqi n THR 488 Cb 0.69 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 1gqi n THR 488 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1gqi n PHE 489 N -3.22 -0.43 -3.60 -1.42 3.72 0.08 -5.02 117.46 107.57 1gqi n PHE 489 Ca -0.32 0.08 -0.09 0.00 -0.05 0.00 0.00 57.45 57.06 1gqi n PHE 489 Cb 1.05 0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 39.64 1gqi n PHE 489 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1gqi s SER 490 N -5.74 -0.37 0.00 4.37 0.15 -0.63 -4.90 113.70 106.59 1gqi s SER 490 Ca 0.00 0.54 0.22 0.00 0.70 0.00 0.00 55.95 57.41 1gqi s SER 490 Cb 0.00 0.49 0.52 0.00 -1.71 0.00 0.00 66.02 65.31 1gqi s SER 490 CO 0.00 -0.25 1.44 0.59 1.20 0.00 0.00 173.24 176.22 1gqi n ASN 491 N 1.28 3.04 -4.67 5.45 3.02 -1.26 -3.65 115.26 118.47 1gqi n ASN 491 Ca -0.11 -1.94 -0.42 0.00 -0.03 0.00 0.00 54.58 52.08 1gqi n ASN 491 Cb 0.57 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 1gqi n ASN 491 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1gqi s GLN 492 N -1.49 4.21 0.39 3.52 -1.52 -1.26 -4.91 119.66 118.60 1gqi s GLN 492 Ca 0.38 2.12 0.09 0.00 -1.95 0.00 0.00 55.36 56.00 1gqi s GLN 492 Cb 0.21 -3.81 0.86 0.00 -0.22 0.00 0.00 33.01 30.05 1gqi s GLN 492 CO 0.30 -0.76 1.96 -1.35 -0.25 0.00 0.00 175.29 175.19 1gqi h PRO 493 N 8.85 0.60 0.00 2.91 0.11 -2.00 -1.39 132.00 141.08 1gqi h PRO 493 Ca -0.38 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1gqi h PRO 493 Cb 1.17 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1gqi h PRO 493 CO 0.94 0.39 -0.05 0.00 -0.21 0.00 0.00 178.00 179.07 1gqi h ALA 494 N 1.64 1.03 0.06 -0.75 0.00 -2.01 -2.81 119.26 116.43 1gqi h ALA 494 Ca 0.30 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 1gqi h ALA 494 Cb 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1gqi h ALA 494 CO -0.10 0.06 -0.88 0.35 0.00 0.00 0.00 179.25 178.68 1gqi h PHE 495 N 0.00 0.22 -0.39 0.00 3.57 -1.69 -3.40 116.94 115.25 1gqi h PHE 495 Ca -0.00 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1gqi h PHE 495 Cb 0.48 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1gqi h PHE 495 CO 0.00 1.34 0.26 0.82 -2.23 0.00 0.00 178.31 178.50 1gqi h ILE 496 N -0.68 1.11 0.51 1.41 2.04 -1.07 -2.41 117.51 118.42 1gqi h ILE 496 Ca -0.20 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 1gqi h ILE 496 Cb 1.41 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1gqi h ILE 496 CO -0.01 0.10 -0.25 -0.08 0.00 0.00 0.00 178.15 177.92 1gqi h GLU 497 N 0.53 -0.66 -0.38 2.37 4.57 -1.73 0.12 114.58 119.39 1gqi h GLU 497 Ca 0.14 0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.27 1gqi h GLU 497 Cb -0.05 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1gqi h GLU 497 CO -0.03 -0.40 -0.15 -1.00 -1.18 0.00 0.00 179.01 176.24 1gqi h PRO 498 N -0.78 0.69 -0.09 0.92 0.13 -1.76 -1.77 132.00 129.33 1gqi h PRO 498 Ca -0.07 -0.24 -0.16 0.00 -0.87 0.00 0.00 66.00 64.66 1gqi h PRO 498 Cb 0.57 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1gqi h PRO 498 CO 0.12 0.81 -0.65 0.28 -0.23 0.00 0.00 178.00 178.33 1gqi h VAL 499 N 0.62 1.37 -0.39 1.56 2.07 -1.33 -0.86 116.25 119.30 1gqi h VAL 499 Ca 0.10 -2.02 -0.00 0.00 0.82 0.00 0.00 66.70 65.60 1gqi h VAL 499 Cb 0.61 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 1gqi h VAL 499 CO 0.04 0.61 0.23 0.50 0.02 0.00 0.00 177.57 178.97 1gqi h LYS 500 N 0.26 0.53 -0.31 1.57 3.64 -0.57 0.09 116.57 121.79 1gqi h LYS 500 Ca -0.01 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1gqi h LYS 500 Cb 1.19 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1gqi h LYS 500 CO 0.11 0.40 -0.20 1.96 -2.27 0.00 0.00 179.45 179.45 1gqi h GLN 501 N 0.51 0.57 -0.23 1.90 1.08 -1.09 0.30 115.11 118.15 1gqi h GLN 501 Ca 0.14 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1gqi h GLN 501 Cb 0.01 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1gqi h GLN 501 CO -0.03 0.74 0.14 1.98 -0.95 0.00 0.00 178.83 180.71 1gqi h MET 502 N 0.51 0.31 -0.39 1.46 4.05 -0.79 -1.67 114.93 118.40 1gqi h MET 502 Ca 0.08 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.51 1gqi h MET 502 Cb 0.63 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.33 1gqi h MET 502 CO 0.04 0.25 0.15 0.52 0.23 0.00 0.00 176.91 178.10 1gqi h MET 503 N 0.28 0.31 0.00 0.39 2.86 -0.53 -2.32 114.93 115.91 1gqi h MET 503 Ca 0.08 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1gqi h MET 503 Cb 0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1gqi h MET 503 CO -0.02 0.20 -0.18 -0.07 1.06 0.00 0.00 176.91 177.91 1gqi h LEU 504 N 0.32 0.00 0.00 1.22 3.38 -0.54 -2.32 115.31 117.36 1gqi h LEU 504 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1gqi h LEU 504 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1gqi h LEU 504 CO -0.17 0.18 -0.67 0.55 0.09 0.00 0.00 178.44 178.42 1gqi n VAL 505 N -3.79 0.22 -0.17 1.22 3.14 -0.67 -4.41 118.33 113.87 1gqi n VAL 505 Ca -0.02 -0.19 -0.05 0.00 -2.96 0.00 0.00 64.34 61.12 1gqi n VAL 505 Cb 0.28 0.04 0.12 0.00 -1.06 0.00 0.00 33.84 33.22 1gqi n VAL 505 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1gqi h SER 506 N 0.00 0.89 -0.29 6.55 4.64 -0.86 -0.79 113.55 123.69 1gqi h SER 506 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1gqi h SER 506 Cb 0.67 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1gqi h SER 506 CO 0.00 0.89 0.18 -0.09 -0.87 0.00 0.00 176.83 176.95 1gqi h ARG 507 N 0.89 0.38 -0.46 4.77 1.12 -1.73 -2.07 114.38 117.28 1gqi h ARG 507 Ca 0.18 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 58.97 1gqi h ARG 507 Cb 0.38 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.24 1gqi h ARG 507 CO 0.01 0.27 0.05 1.49 -3.11 0.00 0.00 179.97 178.68 1gqi h GLU 508 N 0.38 0.73 -0.62 0.20 4.57 -1.61 -1.22 114.58 117.01 1gqi h GLU 508 Ca 0.10 -0.17 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1gqi h GLU 508 Cb -0.03 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.42 1gqi h GLU 508 CO -0.02 0.71 0.36 0.00 -1.18 0.00 0.00 179.01 178.88 1gqi h ALA 509 N 1.36 0.82 0.00 2.92 0.00 -0.92 0.80 119.26 124.23 1gqi h ALA 509 Ca 0.15 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1gqi h ALA 509 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1gqi h ALA 509 CO 0.01 0.07 -0.21 0.78 0.00 0.00 0.00 179.25 179.90 1gqi h GLY 510 N 0.70 0.00 0.63 0.00 0.00 -0.55 -1.42 103.07 102.43 1gqi h GLY 510 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1gqi h GLY 510 CO -0.14 0.00 -0.05 -2.08 0.00 0.00 0.00 176.54 174.28 1gqi h VAL 511 N 0.00 1.35 -0.47 4.60 2.07 -0.55 -3.26 116.25 119.99 1gqi h VAL 511 Ca -0.00 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 1gqi h VAL 511 Cb 0.41 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1gqi h VAL 511 CO 0.03 0.31 0.21 0.78 0.02 0.00 0.00 177.57 178.92 1gqi h ASN 512 N -0.26 0.63 0.30 0.57 -0.26 0.00 0.18 115.58 116.74 1gqi h ASN 512 Ca 0.01 -0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.61 1gqi h ASN 512 Cb 0.53 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1gqi h ASN 512 CO 0.01 0.60 -0.02 0.00 -1.06 0.00 0.00 177.43 176.96 1gqi n TYR 513 N -4.61 0.00 -0.06 1.19 0.18 -0.62 -3.37 117.16 109.87 1gqi n TYR 513 Ca 0.01 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.66 1gqi n TYR 513 Cb 0.13 -0.15 -0.05 0.00 -0.38 0.00 0.00 39.34 38.89 1gqi n TYR 513 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1gqi n ARG 514 N -1.06 0.31 -2.71 -3.48 1.74 -0.93 -3.87 116.66 106.66 1gqi n ARG 514 Ca 0.18 0.13 -0.05 0.00 -0.77 0.00 0.00 57.85 57.35 1gqi n ARG 514 Cb 0.21 -1.02 0.04 0.00 -1.02 0.00 0.00 32.46 30.67 1gqi n ARG 514 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1gqi n SER 515 N -3.73 -2.27 -4.42 0.55 3.41 0.59 -4.89 113.62 102.86 1gqi n SER 515 Ca -0.25 -2.11 -0.28 0.00 -0.26 0.00 0.00 58.87 55.96 1gqi n SER 515 Cb 0.62 1.23 0.15 0.00 -0.26 0.00 0.00 64.21 65.95 1gqi n SER 515 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1gqi s PRO 516 N 0.72 1.17 -1.49 4.33 0.04 -1.15 -4.13 135.00 134.49 1gqi s PRO 516 Ca 0.27 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 60.92 1gqi s PRO 516 Cb 0.13 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1gqi s PRO 516 CO -0.11 -2.03 0.00 1.28 0.04 0.00 0.00 177.00 176.18 1gqi n LEU 517 N -3.48 -0.96 0.00 -3.56 4.77 -1.26 -1.62 117.00 110.89 1gqi n LEU 517 Ca 0.13 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1gqi n LEU 517 Cb 0.60 -2.21 0.00 0.00 -2.33 0.00 0.00 43.42 39.48 1gqi n LEU 517 CO 0.48 -0.80 0.00 0.61 -1.33 0.00 0.00 177.39 176.35 1gqi n GLY 518 N -1.02 0.62 3.71 -0.72 0.00 -1.18 -1.14 105.19 105.47 1gqi n GLY 518 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1gqi n GLY 518 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gqi s LEU 519 N 0.00 2.92 0.00 0.99 1.43 -0.64 -3.33 118.68 120.05 1gqi s LEU 519 Ca 0.00 2.07 -0.28 0.00 -1.03 0.00 0.00 54.13 54.89 1gqi s LEU 519 Cb 0.00 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.77 1gqi s LEU 519 CO 0.00 -2.73 0.85 0.28 0.23 0.00 0.00 176.35 174.98 1gqi s THR 520 N -2.72 0.00 -1.29 5.49 -1.32 -1.26 -4.62 115.64 109.91 1gqi s THR 520 Ca 0.65 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 61.08 1gqi s THR 520 Cb -0.21 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.79 1gqi s THR 520 CO 0.57 0.00 1.11 1.57 -2.21 0.00 0.00 174.62 175.66 1gqi n HIS 521 N -0.14 -2.59 -0.47 9.09 -0.00 -1.26 -4.73 115.22 115.12 1gqi n HIS 521 Ca -0.10 0.99 0.10 0.00 -0.00 0.00 0.00 57.72 58.71 1gqi n HIS 521 Cb 0.62 -5.07 0.32 0.00 -0.00 0.00 0.00 29.99 25.86 1gqi n HIS 521 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1gqi n LEU 522 N -4.64 4.20 -4.81 0.27 4.77 -1.26 -4.11 117.00 111.42 1gqi n LEU 522 Ca -0.12 -2.19 -0.33 0.00 -0.03 0.00 0.00 56.01 53.34 1gqi n LEU 522 Cb 0.61 -0.51 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1gqi n LEU 522 CO 0.63 0.90 0.71 -0.31 -1.33 0.00 0.00 177.39 177.99 1gqi s TYR 523 N -1.36 3.07 0.20 -1.77 1.51 -1.26 -0.32 117.35 117.42 1gqi s TYR 523 Ca 0.48 1.51 -0.33 0.00 -1.01 0.00 0.00 57.07 57.72 1gqi s TYR 523 Cb 0.28 -2.98 -0.13 0.00 -0.11 0.00 0.00 41.96 39.02 1gqi s TYR 523 CO 0.28 -0.95 1.57 0.45 -1.11 0.00 0.00 175.55 175.80 1gqi n SER 524 N -1.82 3.27 -4.71 2.29 2.88 0.50 -4.35 113.62 111.68 1gqi n SER 524 Ca 0.08 1.10 -0.35 0.00 -1.33 0.00 0.00 58.87 58.37 1gqi n SER 524 Cb 0.53 -1.47 -0.09 0.00 -0.75 0.00 0.00 64.21 62.43 1gqi n SER 524 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1gqi s GLN 525 N 0.55 3.04 -0.00 -1.46 -1.52 -1.26 -0.95 119.66 118.06 1gqi s GLN 525 Ca 0.74 -0.38 0.20 0.00 -1.95 0.00 0.00 55.36 53.98 1gqi s GLN 525 Cb -0.62 -2.84 0.59 0.00 -0.22 0.00 0.00 33.01 29.91 1gqi s GLN 525 CO 0.40 0.71 1.49 0.41 -0.25 0.00 0.00 175.29 178.05 1gqi n GLY 526 N 2.06 2.13 0.14 3.09 0.00 -1.26 -4.91 105.19 106.44 1gqi n GLY 526 Ca -0.18 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.06 1gqi n GLY 526 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1gqi h ASP 527 N 3.89 0.14 -0.24 1.61 2.03 -1.96 -3.47 116.42 118.42 1gqi h ASP 527 Ca 0.00 -0.09 -0.10 0.00 -0.73 0.00 0.00 57.03 56.10 1gqi h ASP 527 Cb 0.91 -0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 39.32 1gqi h ASP 527 CO 0.01 0.80 -0.09 1.41 -1.03 0.00 0.00 179.24 180.34 1gqi n HIS 528 N -3.75 0.00 -0.03 4.15 8.25 -0.13 -4.93 115.22 118.78 1gqi n HIS 528 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 1gqi n HIS 528 Cb 0.69 -1.46 -0.08 0.00 1.12 0.00 0.00 29.99 30.26 1gqi n HIS 528 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1gqi h TYR 529 N 0.00 -0.05 -5.56 4.41 3.20 -1.83 -3.44 116.97 113.69 1gqi h TYR 529 Ca -0.10 -0.00 -0.63 0.00 3.14 0.00 0.00 58.73 61.14 1gqi h TYR 529 Cb 0.58 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.79 1gqi h TYR 529 CO 0.30 0.52 -0.37 0.41 -1.64 0.00 0.00 178.16 177.38 1gqi n GLY 530 N 1.34 3.07 3.77 1.82 0.00 -1.26 -4.83 105.19 109.10 1gqi n GLY 530 Ca -0.07 -2.33 -0.38 0.00 0.00 0.00 0.00 46.02 43.24 1gqi n GLY 530 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gqi s PRO 531 N -4.13 4.18 -0.46 1.61 0.04 -1.26 -0.37 135.00 134.61 1gqi s PRO 531 Ca 0.19 1.74 0.06 0.00 0.04 0.00 0.00 61.00 63.02 1gqi s PRO 531 Cb -0.01 -2.72 0.31 0.00 0.04 0.00 0.00 34.50 32.12 1gqi s PRO 531 CO 0.12 -0.18 1.07 0.00 0.04 0.00 0.00 177.00 178.05 1gqi n ALA 532 N 0.21 -0.72 0.33 8.56 0.00 0.56 -4.38 120.51 125.07 1gqi n ALA 532 Ca 0.04 -1.55 0.12 0.00 0.00 0.00 0.00 53.44 52.05 1gqi n ALA 532 Cb 0.47 -1.17 0.55 0.00 0.00 0.00 0.00 19.45 19.30 1gqi n ALA 532 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1gqi h PRO 533 N 3.12 0.00 -0.00 0.00 0.13 -1.82 -1.45 132.00 131.98 1gqi h PRO 533 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1gqi h PRO 533 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1gqi h PRO 533 CO 0.17 0.00 -0.00 -2.67 -0.23 0.00 0.00 178.00 175.27 1gqi n TRP 534 N -2.32 0.00 -1.68 1.56 2.14 -1.26 -4.23 117.44 111.66 1gqi n TRP 534 Ca 0.01 0.00 -0.48 0.00 2.07 0.00 0.00 57.50 59.10 1gqi n TRP 534 Cb 0.18 -0.30 -0.05 0.00 -0.81 0.00 0.00 31.31 30.34 1gqi n TRP 534 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 1gqi n THR 535 N -1.29 0.33 -3.61 -1.67 -1.04 -0.55 -4.79 114.28 101.66 1gqi n THR 535 Ca 0.14 -0.06 -0.01 0.00 -2.04 0.00 0.00 64.05 62.08 1gqi n THR 535 Cb 0.25 -1.71 -0.00 0.00 -1.82 0.00 0.00 70.33 67.04 1gqi n THR 535 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1gqi n ASP 536 N 5.25 -0.07 -3.81 8.00 4.64 -1.26 -1.87 116.55 127.43 1gqi n ASP 536 Ca 0.20 -1.10 -0.37 0.00 -1.38 0.00 0.00 54.79 52.15 1gqi n ASP 536 Cb 0.29 0.13 0.04 0.00 -1.04 0.00 0.00 41.12 40.53 1gqi n ASP 536 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1gqi n ASP 537 N -2.14 -4.96 -4.68 1.67 8.00 -1.26 -5.00 116.55 108.17 1gqi n ASP 537 Ca 0.00 -1.11 -0.24 0.00 0.71 0.00 0.00 54.79 54.15 1gqi n ASP 537 Cb 0.03 -2.80 -0.08 0.00 -0.02 0.00 0.00 41.12 38.26 1gqi n ASP 537 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1gqi s LEU 538 N -6.79 3.10 0.59 0.64 1.43 -1.26 -5.01 118.68 111.38 1gqi s LEU 538 Ca 0.48 -0.92 0.31 0.00 -1.03 0.00 0.00 54.13 52.97 1gqi s LEU 538 Cb -0.20 -1.51 1.84 0.00 0.03 0.00 0.00 46.19 46.35 1gqi s LEU 538 CO 0.90 -0.30 2.25 -0.65 0.23 0.00 0.00 176.35 178.78 1gqi h PRO 539 N 1.66 0.00 -4.79 1.29 0.11 -2.00 -3.38 132.00 124.90 1gqi h PRO 539 Ca -0.43 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.10 1gqi h PRO 539 Cb 1.25 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.02 1gqi h PRO 539 CO 0.66 0.01 -0.84 -0.98 -0.21 0.00 0.00 178.00 176.65 1gqi s ARG 540 N -4.55 2.18 0.44 1.05 1.70 -1.26 -5.01 118.95 113.49 1gqi s ARG 540 Ca -0.05 -0.57 0.15 0.00 -0.47 0.00 0.00 55.73 54.80 1gqi s ARG 540 Cb 0.15 -1.77 1.07 0.00 -0.57 0.00 0.00 34.95 33.83 1gqi s ARG 540 CO 0.54 0.03 1.96 0.00 -1.08 0.00 0.00 175.30 176.75 1gqi h ALA 541 N 7.07 2.09 0.00 7.88 0.00 -1.92 -1.05 119.26 133.33 1gqi h ALA 541 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1gqi h ALA 541 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1gqi h ALA 541 CO 0.48 -0.25 0.00 -0.40 0.00 0.00 0.00 179.25 179.08 1gqi n ASP 542 N -4.46 0.00 -0.40 0.00 5.75 -1.26 -1.34 116.55 114.83 1gqi n ASP 542 Ca 0.11 -0.82 0.12 0.00 -0.01 0.00 0.00 54.79 54.19 1gqi n ASP 542 Cb 0.44 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.65 1gqi n ASP 542 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1gqi n TRP 543 N -0.99 0.00 -2.45 2.11 8.01 -0.40 -5.00 117.44 118.73 1gqi n TRP 543 Ca 0.19 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 56.14 1gqi n TRP 543 Cb 0.09 -0.04 0.09 0.00 -2.01 0.00 0.00 31.31 29.43 1gqi n TRP 543 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1gqi s THR 544 N -2.50 2.30 -0.13 -0.99 -4.23 -0.45 -4.94 115.64 104.71 1gqi s THR 544 Ca 0.20 -0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 60.11 1gqi s THR 544 Cb 0.18 -2.82 -0.26 0.00 1.34 0.00 0.00 72.50 70.95 1gqi s THR 544 CO 0.56 0.00 0.41 0.00 -0.54 0.00 0.00 174.62 175.05 1gqi h ALA 545 N -0.47 0.32 -0.04 3.99 0.00 -1.52 -3.39 119.26 118.13 1gqi h ALA 545 Ca -0.41 -1.27 0.01 0.00 0.00 0.00 0.00 54.91 53.25 1gqi h ALA 545 Cb 1.28 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 1gqi h ALA 545 CO 0.48 1.06 0.03 -0.39 0.00 0.00 0.00 179.25 180.43 1gqi h VAL 546 N -0.21 0.98 -0.80 0.00 -1.51 -1.64 -0.46 116.25 112.61 1gqi h VAL 546 Ca -0.38 -0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.18 1gqi h VAL 546 Cb 1.84 0.98 -0.05 0.00 -2.13 0.00 0.00 31.29 31.92 1gqi h VAL 546 CO 0.03 0.00 0.52 0.22 -1.23 0.00 0.00 177.57 177.12 1gqi h TYR 547 N 0.01 0.81 0.15 5.19 5.03 -1.80 -1.62 116.97 124.73 1gqi h TYR 547 Ca 0.02 0.02 -0.35 0.00 2.58 0.00 0.00 58.73 61.00 1gqi h TYR 547 Cb 0.07 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.09 1gqi h TYR 547 CO -0.00 0.38 -1.86 1.88 -1.32 0.00 0.00 178.16 177.24 1gqi h TYR 548 N 0.76 0.56 0.01 -3.82 0.05 -1.32 -3.40 116.97 109.81 1gqi h TYR 548 Ca 0.37 -0.41 -0.29 0.00 0.05 0.00 0.00 58.73 58.45 1gqi h TYR 548 Cb 0.41 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.08 1gqi h TYR 548 CO -0.00 1.69 -1.65 1.12 -1.05 0.00 0.00 178.16 178.27 1gqi h HIS 549 N 0.08 0.03 -4.79 4.88 2.07 -1.46 -3.38 115.15 112.58 1gqi h HIS 549 Ca -0.38 -0.02 -0.33 0.00 -2.85 0.00 0.00 60.37 56.79 1gqi h HIS 549 Cb 2.06 -0.00 -0.04 0.00 2.57 0.00 0.00 27.41 32.00 1gqi h HIS 549 CO 0.08 1.04 -0.48 0.54 -3.07 0.00 0.00 177.93 176.05 1gqi n ARG 550 N -3.10 -3.21 -2.12 5.12 1.74 -0.61 -0.66 116.66 113.82 1gqi n ARG 550 Ca -0.16 0.57 -0.40 0.00 -0.77 0.00 0.00 57.85 57.09 1gqi n ARG 550 Cb 1.04 -5.26 -0.02 0.00 -1.02 0.00 0.00 32.46 27.20 1gqi n ARG 550 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gqi s ALA 551 N -2.85 3.41 0.36 7.54 0.00 -1.26 -4.55 121.76 124.41 1gqi s ALA 551 Ca 0.25 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.45 1gqi s ALA 551 Cb -0.13 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.51 1gqi s ALA 551 CO 0.31 -0.67 0.44 -1.54 0.00 0.00 0.00 175.76 174.29 1gqi s SER 552 N -0.60 1.27 0.54 0.00 1.04 0.11 -5.00 113.70 111.06 1gqi s SER 552 Ca 0.51 -1.62 0.26 0.00 0.48 0.00 0.00 55.95 55.59 1gqi s SER 552 Cb -0.39 0.65 1.53 0.00 0.10 0.00 0.00 66.02 67.92 1gqi s SER 552 CO 0.51 -1.27 2.14 0.50 0.98 0.00 0.00 173.24 176.10 1gqi h LYS 553 N 2.08 0.00 0.00 4.02 1.63 -1.88 -3.07 116.57 119.34 1gqi h LYS 553 Ca -0.27 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.25 1gqi h LYS 553 Cb 1.24 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.82 1gqi h LYS 553 CO 0.37 0.07 -1.87 0.25 -3.45 0.00 0.00 179.45 174.83 1gqi n THR 554 N -3.87 1.41 -3.67 1.00 -2.24 -1.26 -4.81 114.28 100.84 1gqi n THR 554 Ca -0.02 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1gqi n THR 554 Cb 0.17 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 1gqi n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqi n GLY 555 N 1.57 0.91 3.37 3.38 0.00 -1.16 -1.92 105.19 111.35 1gqi n GLY 555 Ca -0.20 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 1gqi n GLY 555 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1gqi s ILE 556 N -2.32 0.04 0.00 -0.61 2.07 -0.41 -0.71 121.20 119.25 1gqi s ILE 556 Ca 0.00 -0.30 0.00 0.00 -1.41 0.00 0.00 60.65 58.94 1gqi s ILE 556 Cb 0.00 -1.01 0.00 0.00 0.13 0.00 0.00 42.46 41.58 1gqi s ILE 556 CO 0.00 -0.16 0.00 0.61 -1.91 0.00 0.00 174.94 173.48 1gqi n GLY 557 N 0.20 2.37 3.06 1.50 0.00 0.17 -0.77 105.19 111.72 1gqi n GLY 557 Ca -0.18 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 1gqi n GLY 557 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gqi s PHE 558 N -2.21 2.61 -0.49 1.61 2.19 -0.90 -4.33 117.98 116.46 1gqi s PHE 558 Ca 0.00 -1.63 -0.28 0.00 0.33 0.00 0.00 56.93 55.35 1gqi s PHE 558 Cb 0.00 -1.77 0.01 0.00 -1.31 0.00 0.00 43.02 39.95 1gqi s PHE 558 CO 0.00 -0.77 1.40 1.21 1.83 0.00 0.00 175.22 178.89 1gqi s ASN 559 N 1.34 6.25 -0.09 6.13 3.84 -1.26 -2.19 114.94 128.96 1gqi s ASN 559 Ca 0.01 0.56 0.12 0.00 0.21 0.00 0.00 52.86 53.76 1gqi s ASN 559 Cb -0.15 -2.54 0.29 0.00 -0.55 0.00 0.00 41.25 38.30 1gqi s ASN 559 CO -0.10 -1.56 1.21 0.54 -2.79 0.00 0.00 177.10 174.40 1gqi n ARG 560 N 8.34 2.46 -1.68 0.43 1.74 -0.03 -1.75 116.66 126.17 1gqi n ARG 560 Ca 0.14 -2.29 -0.24 0.00 -0.77 0.00 0.00 57.85 54.70 1gqi n ARG 560 Cb 0.49 -1.43 0.16 0.00 -1.02 0.00 0.00 32.46 30.66 1gqi n ARG 560 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1gqi n THR 561 N -0.56 0.00 0.20 0.55 -2.24 -1.22 -2.05 114.28 108.96 1gqi n THR 561 Ca 0.13 -0.89 0.18 0.00 -2.27 0.00 0.00 64.05 61.20 1gqi n THR 561 Cb 0.57 -1.50 0.83 0.00 -2.10 0.00 0.00 70.33 68.12 1gqi n THR 561 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1gqi h LYS 562 N 0.00 0.00 -0.01 -0.78 1.57 -1.95 0.46 116.57 115.86 1gqi h LYS 562 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1gqi h LYS 562 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1gqi h LYS 562 CO 0.26 0.00 -0.08 0.25 -0.57 0.00 0.00 179.45 179.31 1gqi n THR 563 N -3.63 0.00 0.00 -0.16 -2.24 -1.26 -4.72 114.28 102.27 1gqi n THR 563 Ca 0.02 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1gqi n THR 563 Cb 0.39 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1gqi n THR 563 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqi n GLY 564 N 1.23 2.08 0.07 3.38 0.00 -0.03 -4.99 105.19 106.93 1gqi n GLY 564 Ca 0.17 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1gqi n GLY 564 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqi n SER 565 N 0.00 0.47 -2.98 1.61 3.41 -0.72 -4.86 113.62 110.55 1gqi n SER 565 Ca 0.00 0.56 -0.22 0.00 -0.26 0.00 0.00 58.87 58.95 1gqi n SER 565 Cb 0.00 -0.68 0.02 0.00 -0.26 0.00 0.00 64.21 63.29 1gqi n SER 565 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1gqi n ASN 566 N -1.96 -5.38 0.29 4.04 5.15 -0.15 -4.86 115.26 112.38 1gqi n ASN 566 Ca 0.05 -0.24 0.15 0.00 -0.60 0.00 0.00 54.58 53.94 1gqi n ASN 566 Cb 0.35 -4.40 0.86 0.00 -0.53 0.00 0.00 39.78 36.06 1gqi n ASN 566 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gqi h ALA 567 N 1.00 1.34 0.00 5.20 0.00 -1.66 -1.78 119.26 123.36 1gqi h ALA 567 Ca -0.49 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1gqi h ALA 567 Cb 1.34 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1gqi h ALA 567 CO 0.55 0.07 -0.00 -0.07 0.00 0.00 0.00 179.25 179.79 1gqi h LEU 568 N 0.00 0.00 0.00 0.00 3.38 -1.76 -0.22 115.31 116.72 1gqi h LEU 568 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gqi h LEU 568 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1gqi h LEU 568 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1gqi n ALA 569 N -2.47 1.89 0.96 1.53 0.00 -0.67 -1.79 120.51 119.96 1gqi n ALA 569 Ca -0.03 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.48 1gqi n ALA 569 Cb 0.09 -1.29 0.59 0.00 0.00 0.00 0.00 19.45 18.85 1gqi n ALA 569 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1gqi n GLN 570 N -1.38 0.03 -3.91 0.00 6.02 -0.09 -4.86 117.38 113.18 1gqi n GLN 570 Ca 0.07 0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 56.86 1gqi n GLN 570 Cb 0.17 -1.53 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 1gqi n GLN 570 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1gqi s TYR 571 N -3.01 3.46 0.65 1.08 2.02 -0.74 -4.87 117.35 115.94 1gqi s TYR 571 Ca 0.14 0.03 -0.17 0.00 -0.37 0.00 0.00 57.07 56.69 1gqi s TYR 571 Cb 0.18 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 40.11 1gqi s TYR 571 CO 0.54 0.42 0.99 -2.30 -1.57 0.00 0.00 175.55 173.63 1gqi n PRO 572 N -1.37 0.76 -0.22 -1.71 -0.02 -1.26 -4.60 135.00 126.58 1gqi n PRO 572 Ca -0.08 0.31 0.03 0.00 -2.02 0.00 0.00 63.50 61.73 1gqi n PRO 572 Cb 0.57 -2.22 0.14 0.00 -0.02 0.00 0.00 33.50 31.96 1gqi n PRO 572 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1gqi h GLU 573 N 0.19 0.31 -0.10 -0.52 4.22 -1.92 -0.80 114.58 115.96 1gqi h GLU 573 Ca -0.48 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 58.92 1gqi h GLU 573 Cb 1.35 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1gqi h GLU 573 CO 0.49 0.20 -0.03 -1.35 -2.18 0.00 0.00 179.01 176.15 1gqi h PRO 574 N 0.32 0.13 -0.03 0.92 0.11 -1.90 0.14 132.00 131.69 1gqi h PRO 574 Ca 0.36 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.40 1gqi h PRO 574 Cb 0.54 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1gqi h PRO 574 CO -0.42 0.18 -0.16 0.82 -0.21 0.00 0.00 178.00 178.21 1gqi h ILE 575 N 0.13 1.49 -0.92 4.15 1.08 -1.48 -1.88 117.51 120.09 1gqi h ILE 575 Ca 0.03 -1.69 0.09 0.00 -0.39 0.00 0.00 64.86 62.91 1gqi h ILE 575 Cb 0.14 2.51 -0.07 0.00 -3.07 0.00 0.00 36.82 36.33 1gqi h ILE 575 CO 0.00 0.46 0.56 0.00 -0.69 0.00 0.00 178.15 178.49 1gqi h ALA 576 N 0.36 1.32 -0.06 1.87 0.00 -0.98 -0.60 119.26 121.16 1gqi h ALA 576 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1gqi h ALA 576 Cb 0.84 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1gqi h ALA 576 CO 0.03 0.24 -0.00 -0.22 0.00 0.00 0.00 179.25 179.30 1gqi h LYS 577 N 0.96 0.11 -0.66 0.00 3.64 -0.99 -0.79 116.57 118.85 1gqi h LYS 577 Ca 0.43 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.72 1gqi h LYS 577 Cb 0.33 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1gqi h LYS 577 CO -0.22 0.40 0.23 0.00 -2.27 0.00 0.00 179.45 177.59 1gqi h ALA 578 N 0.71 0.87 0.00 5.00 0.00 -0.95 -2.90 119.26 121.99 1gqi h ALA 578 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1gqi h ALA 578 Cb 0.35 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1gqi h ALA 578 CO 0.00 0.52 -0.38 -1.49 0.00 0.00 0.00 179.25 177.90 1gqi h TRP 579 N 0.95 0.00 0.00 0.00 6.55 -1.13 -2.47 115.95 119.86 1gqi h TRP 579 Ca 0.22 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.06 1gqi h TRP 579 Cb 0.26 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.56 1gqi h TRP 579 CO 0.02 0.00 -0.52 0.78 -1.05 0.00 0.00 178.44 177.67 1gqi h GLY 580 N 4.27 0.00 -6.78 1.49 0.00 -0.99 -3.43 103.07 97.64 1gqi h GLY 580 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1gqi h GLY 580 CO 0.00 0.00 -0.43 -0.35 0.00 0.00 0.00 176.54 175.76 1gqi s ASP 581 N -4.46 6.21 0.59 0.19 -1.08 -1.11 -4.96 116.67 112.05 1gqi s ASP 581 Ca 0.06 0.23 0.34 0.00 -0.52 0.00 0.00 52.55 52.67 1gqi s ASP 581 Cb 0.12 -2.13 1.86 0.00 -1.46 0.00 0.00 42.92 41.31 1gqi s ASP 581 CO 0.70 0.05 2.21 -0.07 0.52 0.00 0.00 175.17 178.58 1gqi h LEU 582 N 7.40 0.00 -0.96 -1.34 3.38 -1.88 -1.02 115.31 120.89 1gqi h LEU 582 Ca -0.38 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 1gqi h LEU 582 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1gqi h LEU 582 CO 0.69 0.04 -0.19 -1.13 0.09 0.00 0.00 178.44 177.93 1gqi h ASN 583 N 0.00 0.00 0.00 -0.43 -1.24 -1.93 -3.36 115.58 108.62 1gqi h ASN 583 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1gqi h ASN 583 Cb 0.16 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1gqi h ASN 583 CO 0.00 0.19 -0.64 -1.54 -1.29 0.00 0.00 177.43 174.15 1gqi n SER 584 N -3.29 3.21 -4.74 1.15 3.41 -0.64 -5.04 113.62 107.68 1gqi n SER 584 Ca 0.01 -0.18 -0.41 0.00 -0.26 0.00 0.00 58.87 58.02 1gqi n SER 584 Cb 0.45 1.00 -0.02 0.00 -0.26 0.00 0.00 64.21 65.37 1gqi n SER 584 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gqi s VAL 585 N -1.65 2.60 0.25 -3.33 0.11 -0.48 -4.80 120.40 113.10 1gqi s VAL 585 Ca -0.00 0.49 -0.30 0.00 -2.93 0.00 0.00 61.98 59.24 1gqi s VAL 585 Cb 0.00 -3.31 -0.10 0.00 -1.53 0.00 0.00 36.38 31.44 1gqi s VAL 585 CO 0.00 0.07 1.43 -2.84 -3.33 0.00 0.00 175.10 170.43 1gqi s PRO 586 N -0.10 4.28 0.53 1.54 0.02 -1.26 -4.88 135.00 135.13 1gqi s PRO 586 Ca 0.62 2.28 0.18 0.00 0.02 0.00 0.00 61.00 64.10 1gqi s PRO 586 Cb -0.43 -3.11 1.34 0.00 0.02 0.00 0.00 34.50 32.32 1gqi s PRO 586 CO 0.41 -0.40 2.16 0.93 -0.33 0.00 0.00 177.00 179.77 1gqi h GLU 587 N 5.00 0.00 0.00 5.54 5.08 -1.96 -1.44 114.58 126.81 1gqi h GLU 587 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1gqi h GLU 587 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1gqi h GLU 587 CO 0.77 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.38 1gqi n ASP 588 N -4.46 0.00 0.00 1.42 5.68 -1.26 -2.57 116.55 115.36 1gqi n ASP 588 Ca -0.03 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 1gqi n ASP 588 Cb 0.10 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 1gqi n ASP 588 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1gqi n LEU 589 N -1.22 0.96 -0.25 -2.12 4.77 -0.58 -3.10 117.00 115.45 1gqi n LEU 589 Ca 0.11 -0.96 -0.06 0.00 -0.03 0.00 0.00 56.01 55.08 1gqi n LEU 589 Cb 0.15 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.28 1gqi n LEU 589 CO 0.15 0.24 1.08 -0.29 -1.33 0.00 0.00 177.39 177.24 1gqi h ILE 590 N 0.10 1.21 0.00 -0.08 2.10 -1.17 -1.29 117.51 118.38 1gqi h ILE 590 Ca 0.00 -0.55 0.00 0.00 1.08 0.00 0.00 64.86 65.39 1gqi h ILE 590 Cb 0.07 0.33 0.00 0.00 -1.09 0.00 0.00 36.82 36.13 1gqi h ILE 590 CO 0.00 0.24 0.00 0.18 -1.08 0.00 0.00 178.15 177.49 1gqi n LEU 591 N -4.50 0.00 0.20 2.19 4.77 -0.29 -1.81 117.00 117.56 1gqi n LEU 591 Ca 0.05 0.27 0.06 0.00 -0.03 0.00 0.00 56.01 56.36 1gqi n LEU 591 Cb 0.10 -0.27 0.41 0.00 -2.33 0.00 0.00 43.42 41.33 1gqi n LEU 591 CO 0.38 -0.08 0.74 -0.50 -1.33 0.00 0.00 177.39 176.59 1gqi h TRP 592 N 0.00 0.00 0.00 -1.77 4.06 -1.23 -2.40 115.95 114.62 1gqi h TRP 592 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1gqi h TRP 592 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1gqi h TRP 592 CO 0.00 0.34 -0.72 1.19 -3.56 0.00 0.00 178.44 175.69 1gqi n PHE 593 N -3.74 0.00 -4.85 0.49 3.72 -0.80 -4.46 117.46 107.83 1gqi n PHE 593 Ca -0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.14 1gqi n PHE 593 Cb 0.43 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.82 1gqi n PHE 593 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1gqi s HIS 594 N -1.56 1.61 -0.33 1.38 3.76 -0.75 -0.85 115.29 118.55 1gqi s HIS 594 Ca 0.00 -0.34 -0.13 0.00 -0.15 0.00 0.00 55.06 54.44 1gqi s HIS 594 Cb 0.00 -1.05 -0.02 0.00 1.11 0.00 0.00 32.58 32.62 1gqi s HIS 594 CO 0.00 -0.06 0.28 -1.58 -0.85 0.00 0.00 174.74 172.53 1gqi s HIS 595 N -0.32 3.22 0.05 1.40 2.46 -1.26 -3.09 115.29 117.75 1gqi s HIS 595 Ca 0.05 -0.10 0.09 0.00 0.47 0.00 0.00 55.06 55.56 1gqi s HIS 595 Cb -0.08 -2.53 -0.03 0.00 -0.13 0.00 0.00 32.58 29.81 1gqi s HIS 595 CO -0.00 -0.36 -0.24 -0.51 -2.47 0.00 0.00 174.74 171.17 1gqi s LEU 596 N 1.83 2.32 0.59 8.88 1.43 0.05 -4.91 118.68 128.87 1gqi s LEU 596 Ca 0.08 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.46 1gqi s LEU 596 Cb -0.17 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 1gqi s LEU 596 CO 0.11 0.26 1.15 -0.55 0.23 0.00 0.00 176.35 177.55 1gqi s SER 597 N -1.32 5.38 0.62 2.29 0.15 -1.26 -1.29 113.70 118.27 1gqi s SER 597 Ca 0.13 2.21 0.38 0.00 0.70 0.00 0.00 55.95 59.37 1gqi s SER 597 Cb -0.10 -2.58 2.05 0.00 -1.71 0.00 0.00 66.02 63.67 1gqi s SER 597 CO 0.03 -1.45 2.26 -0.50 1.20 0.00 0.00 173.24 174.78 1gqi h TRP 598 N 0.82 0.00 -0.00 3.44 4.06 -1.73 -2.10 115.95 120.42 1gqi h TRP 598 Ca -0.49 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.46 1gqi h TRP 598 Cb 1.27 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.43 1gqi h TRP 598 CO 0.50 0.02 -0.06 -0.25 -3.56 0.00 0.00 178.44 175.09 1gqi n ASP 599 N -3.31 0.39 -4.68 -3.49 8.00 -1.26 -2.23 116.55 109.96 1gqi n ASP 599 Ca -0.02 -0.68 -0.45 0.00 0.71 0.00 0.00 54.79 54.34 1gqi n ASP 599 Cb 0.13 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.10 1gqi n ASP 599 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1gqi n HIS 600 N -0.91 2.43 -3.28 1.24 -0.00 -0.79 -4.71 115.22 109.20 1gqi n HIS 600 Ca 0.17 0.17 -0.38 0.00 -0.00 0.00 0.00 57.72 57.68 1gqi n HIS 600 Cb 0.24 -2.59 -0.06 0.00 -0.00 0.00 0.00 29.99 27.58 1gqi n HIS 600 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1gqi s ARG 601 N 1.17 4.33 0.68 1.57 0.52 -1.26 -0.93 118.95 125.05 1gqi s ARG 601 Ca 0.78 0.52 -0.04 0.00 -0.52 0.00 0.00 55.73 56.47 1gqi s ARG 601 Cb -0.62 -3.42 0.08 0.00 0.52 0.00 0.00 34.95 31.51 1gqi s ARG 601 CO 0.37 0.18 0.97 -1.64 0.02 0.00 0.00 175.30 175.19 1gqi s MET 602 N 0.53 2.04 0.39 3.54 -1.94 0.27 -4.93 119.30 119.19 1gqi s MET 602 Ca 0.28 -0.63 0.10 0.00 -1.71 0.00 0.00 55.69 53.73 1gqi s MET 602 Cb -0.16 -2.27 0.89 0.00 2.01 0.00 0.00 34.83 35.30 1gqi s MET 602 CO 0.12 -1.23 1.95 1.96 -0.01 0.00 0.00 175.02 177.80 1gqi h GLN 603 N -0.47 0.57 0.00 2.03 4.20 -1.98 -0.78 115.11 118.68 1gqi h GLN 603 Ca -0.42 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1gqi h GLN 603 Cb 1.29 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1gqi h GLN 603 CO 0.51 0.38 0.00 0.66 -0.67 0.00 0.00 178.83 179.71 1gqi h SER 604 N 0.59 0.00 0.00 1.46 4.64 -2.01 -3.46 113.55 114.77 1gqi h SER 604 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1gqi h SER 604 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1gqi h SER 604 CO -0.11 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.46 1gqi n GLY 605 N -0.51 3.09 3.77 -0.77 0.00 -0.30 -5.06 105.19 105.41 1gqi n GLY 605 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1gqi n GLY 605 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqi s ARG 606 N -0.92 3.40 0.93 1.61 0.52 -1.26 -4.72 118.95 118.51 1gqi s ARG 606 Ca 0.00 1.65 -0.13 0.00 -0.52 0.00 0.00 55.73 56.73 1gqi s ARG 606 Cb 0.00 -2.06 0.15 0.00 0.52 0.00 0.00 34.95 33.56 1gqi s ARG 606 CO 0.00 -0.82 1.14 0.54 0.02 0.00 0.00 175.30 176.18 1gqi s ASN 607 N -1.70 3.31 0.18 0.23 2.20 -1.26 -0.57 114.94 117.33 1gqi s ASN 607 Ca 0.72 0.94 -0.10 0.00 -0.94 0.00 0.00 52.86 53.47 1gqi s ASN 607 Cb -0.25 -1.49 0.08 0.00 -2.00 0.00 0.00 41.25 37.59 1gqi s ASN 607 CO 0.28 -2.67 1.70 0.25 -2.94 0.00 0.00 177.10 173.72 1gqi h LEU 608 N -1.58 0.94 -0.20 3.54 5.85 -0.56 0.13 115.31 123.42 1gqi h LEU 608 Ca -0.50 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.02 1gqi h LEU 608 Cb 1.33 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1gqi h LEU 608 CO 0.60 0.91 0.02 -0.25 -0.34 0.00 0.00 178.44 179.38 1gqi h TRP 609 N 0.92 0.03 -0.80 1.25 2.91 -1.84 0.15 115.95 118.58 1gqi h TRP 609 Ca 0.20 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.21 1gqi h TRP 609 Cb 0.32 0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 28.95 1gqi h TRP 609 CO 0.02 -0.00 0.39 1.96 -1.03 0.00 0.00 178.44 179.78 1gqi h GLN 610 N 0.10 1.14 -0.43 2.65 4.20 -1.69 -1.64 115.11 119.43 1gqi h GLN 610 Ca 0.09 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 1gqi h GLN 610 Cb 0.10 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1gqi h GLN 610 CO -0.14 0.87 0.01 1.49 -0.67 0.00 0.00 178.83 180.39 1gqi h GLU 611 N 1.13 0.74 -0.22 1.46 4.57 -0.49 -0.75 114.58 121.03 1gqi h GLU 611 Ca 0.28 -0.23 0.04 0.00 -1.18 0.00 0.00 59.36 58.27 1gqi h GLU 611 Cb 0.10 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1gqi h GLU 611 CO -0.04 0.81 -0.04 1.25 -1.18 0.00 0.00 179.01 179.82 1gqi h LEU 612 N 0.58 -0.17 -0.44 1.64 6.46 -0.61 -0.65 115.31 122.13 1gqi h LEU 612 Ca 0.12 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1gqi h LEU 612 Cb 0.47 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 1gqi h LEU 612 CO 0.02 -0.06 0.21 0.58 -0.62 0.00 0.00 178.44 178.57 1gqi h VAL 613 N 0.02 1.18 -0.63 1.05 2.07 -1.21 -2.27 116.25 116.45 1gqi h VAL 613 Ca 0.10 -0.51 0.10 0.00 0.82 0.00 0.00 66.70 67.21 1gqi h VAL 613 Cb 0.15 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 1gqi h VAL 613 CO -0.21 0.20 0.25 -0.74 0.02 0.00 0.00 177.57 177.09 1gqi h HIS 614 N 0.56 0.45 -0.25 1.57 -0.00 -0.73 -1.51 115.15 115.23 1gqi h HIS 614 Ca 0.15 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.49 1gqi h HIS 614 Cb 0.12 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 1gqi h HIS 614 CO -0.01 0.12 -0.07 0.87 -0.00 0.00 0.00 177.93 178.84 1gqi h LYS 615 N 0.45 0.49 -0.48 5.26 1.79 -0.85 1.00 116.57 124.22 1gqi h LYS 615 Ca 0.32 -0.19 0.02 0.00 -2.18 0.00 0.00 60.65 58.62 1gqi h LYS 615 Cb 0.39 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 1gqi h LYS 615 CO -0.30 0.72 0.29 1.88 -1.08 0.00 0.00 179.45 180.95 1gqi h TYR 616 N 0.23 0.53 -0.41 -1.35 -1.99 -1.11 -1.13 116.97 111.74 1gqi h TYR 616 Ca 0.06 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.71 1gqi h TYR 616 Cb 0.54 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 39.08 1gqi h TYR 616 CO 0.05 0.31 -0.14 1.88 -0.00 0.00 0.00 178.16 180.26 1gqi h TYR 617 N 0.57 0.84 -0.88 4.88 0.05 -1.16 -2.92 116.97 118.34 1gqi h TYR 617 Ca 0.19 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 1gqi h TYR 617 Cb 0.01 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.50 1gqi h TYR 617 CO -0.07 0.85 0.53 0.37 -1.05 0.00 0.00 178.16 178.79 1gqi h GLN 618 N 0.68 1.19 -0.75 4.88 4.15 -0.23 -1.64 115.11 123.39 1gqi h GLN 618 Ca 0.11 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1gqi h GLN 618 Cb 0.62 -0.25 -0.04 0.00 0.21 0.00 0.00 27.48 28.02 1gqi h GLN 618 CO 0.04 0.83 0.45 0.78 -1.93 0.00 0.00 178.83 179.00 1gqi h GLY 619 N 1.22 1.10 1.00 2.39 0.00 -1.03 0.15 103.07 107.90 1gqi h GLY 619 Ca 0.32 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1gqi h GLY 619 CO -0.06 0.45 0.05 -2.08 0.00 0.00 0.00 176.54 174.90 1gqi h VAL 620 N 1.03 1.26 -0.80 4.60 2.07 -1.44 -1.83 116.25 121.13 1gqi h VAL 620 Ca 0.27 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1gqi h VAL 620 Cb -0.02 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1gqi h VAL 620 CO -0.05 0.35 0.52 -0.33 0.02 0.00 0.00 177.57 178.09 1gqi h GLU 621 N 0.74 1.06 -0.64 1.57 4.39 -0.58 -0.83 114.58 120.29 1gqi h GLU 621 Ca 0.15 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 1gqi h GLU 621 Cb 0.45 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1gqi h GLU 621 CO 0.02 0.71 0.12 1.96 -1.16 0.00 0.00 179.01 180.66 1gqi h GLN 622 N 1.09 1.05 -0.38 2.33 4.20 -0.29 -0.43 115.11 122.68 1gqi h GLN 622 Ca 0.29 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1gqi h GLN 622 Cb -0.11 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 1gqi h GLN 622 CO -0.06 0.96 0.18 0.28 -0.67 0.00 0.00 178.83 179.52 1gqi h VAL 623 N 0.97 1.18 -0.64 -0.54 2.07 -0.84 -0.86 116.25 117.58 1gqi h VAL 623 Ca 0.20 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1gqi h VAL 623 Cb 0.41 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1gqi h VAL 623 CO 0.01 0.19 0.43 0.03 0.02 0.00 0.00 177.57 178.25 1gqi h ARG 624 N 0.48 0.85 -0.39 1.57 3.08 -0.81 -0.69 114.38 118.46 1gqi h ARG 624 Ca 0.13 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 1gqi h ARG 624 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1gqi h ARG 624 CO -0.01 0.56 -0.25 0.00 -1.07 0.00 0.00 179.97 179.20 1gqi h ALA 625 N 1.60 0.81 -0.87 0.04 0.00 -0.79 -2.23 119.26 117.82 1gqi h ALA 625 Ca 0.24 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1gqi h ALA 625 Cb -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1gqi h ALA 625 CO -0.05 0.65 0.44 0.52 0.00 0.00 0.00 179.25 180.80 1gqi h MET 626 N 0.70 1.23 -0.33 0.00 2.86 -0.14 -0.62 114.93 118.64 1gqi h MET 626 Ca 0.09 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1gqi h MET 626 Cb 0.78 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1gqi h MET 626 CO 0.06 0.93 0.15 1.96 1.06 0.00 0.00 176.91 181.07 1gqi h GLN 627 N 1.23 0.30 -0.51 1.72 4.20 -0.79 -0.06 115.11 121.19 1gqi h GLN 627 Ca 0.30 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 1gqi h GLN 627 Cb 0.08 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1gqi h GLN 627 CO -0.04 0.20 0.21 0.00 -0.67 0.00 0.00 178.83 178.52 1gqi h ARG 628 N 0.31 0.76 -0.05 1.46 3.08 -1.07 -1.49 114.38 117.39 1gqi h ARG 628 Ca 0.14 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1gqi h ARG 628 Cb 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1gqi h ARG 628 CO -0.11 0.67 -0.07 1.15 -1.07 0.00 0.00 179.97 180.54 1gqi h THR 629 N 0.68 0.80 -0.77 2.04 2.02 -0.86 -2.65 112.91 114.18 1gqi h THR 629 Ca 0.17 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 1gqi h THR 629 Cb 0.19 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1gqi h THR 629 CO -0.01 0.00 0.47 -0.25 0.37 0.00 0.00 175.52 176.10 1gqi h TRP 630 N -0.10 1.01 -0.58 3.16 2.91 -0.78 -2.09 115.95 119.46 1gqi h TRP 630 Ca 0.05 0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.18 1gqi h TRP 630 Cb 0.17 -0.33 -0.03 0.00 -0.51 0.00 0.00 29.16 28.45 1gqi h TRP 630 CO -0.16 0.67 0.40 -0.44 -1.03 0.00 0.00 178.44 177.87 1gqi h ASP 631 N 1.05 0.29 0.42 2.65 3.32 -1.06 -0.23 116.42 122.85 1gqi h ASP 631 Ca 0.28 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1gqi h ASP 631 Cb -0.05 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1gqi h ASP 631 CO -0.05 0.17 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 1gqi n GLN 632 N -4.46 0.14 -0.30 3.56 6.02 -0.79 -3.29 117.38 118.27 1gqi n GLN 632 Ca 0.10 0.17 0.11 0.00 -0.01 0.00 0.00 57.00 57.36 1gqi n GLN 632 Cb 0.43 -1.50 0.27 0.00 1.02 0.00 0.00 30.24 30.46 1gqi n GLN 632 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1gqi n GLN 633 N -1.37 2.68 -0.07 -1.09 1.13 -0.10 -4.63 117.38 113.93 1gqi n GLN 633 Ca 0.06 -2.47 0.17 0.00 -1.94 0.00 0.00 57.00 52.82 1gqi n GLN 633 Cb 0.16 -1.50 0.59 0.00 0.11 0.00 0.00 30.24 29.60 1gqi n GLN 633 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1gqi h GLU 634 N 3.87 0.21 0.00 -1.09 4.81 -1.70 -1.00 114.58 119.69 1gqi h GLU 634 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1gqi h GLU 634 Cb 0.93 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1gqi h GLU 634 CO 0.00 0.14 0.00 0.00 -0.73 0.00 0.00 179.01 178.42 1gqi h ALA 635 N 1.70 1.00 -0.00 2.92 0.00 -1.90 -3.28 119.26 119.70 1gqi h ALA 635 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1gqi h ALA 635 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1gqi h ALA 635 CO -0.06 0.00 -0.62 0.66 0.00 0.00 0.00 179.25 179.23 1gqi n TYR 636 N -2.41 0.00 -4.81 0.00 4.01 -0.39 -4.99 117.16 108.57 1gqi n TYR 636 Ca 0.03 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.46 1gqi n TYR 636 Cb 0.32 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.22 1gqi n TYR 636 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1gqi s VAL 637 N -2.27 2.52 0.68 -0.72 1.01 -1.18 -4.75 120.40 115.70 1gqi s VAL 637 Ca 0.06 -1.22 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 1gqi s VAL 637 Cb 0.11 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1gqi s VAL 637 CO 0.55 0.39 1.18 -0.90 0.00 0.00 0.00 175.10 176.32 1gqi n ASP 638 N 1.76 1.48 -0.28 3.32 5.75 -1.26 -4.80 116.55 122.52 1gqi n ASP 638 Ca -0.16 0.76 -0.02 0.00 -0.01 0.00 0.00 54.79 55.36 1gqi n ASP 638 Cb 0.52 -1.50 0.17 0.00 -1.03 0.00 0.00 41.12 39.27 1gqi n ASP 638 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gqi h ALA 639 N 0.17 1.31 0.31 2.12 0.00 -1.98 -0.93 119.26 120.26 1gqi h ALA 639 Ca -0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1gqi h ALA 639 Cb 1.34 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1gqi h ALA 639 CO 0.51 0.59 -0.15 0.00 0.00 0.00 0.00 179.25 180.20 1gqi h ALA 640 N 1.40 -0.42 -0.19 0.00 0.00 -1.90 -1.08 119.26 117.07 1gqi h ALA 640 Ca 0.30 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1gqi h ALA 640 Cb -0.04 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1gqi h ALA 640 CO -0.06 -0.57 -0.16 0.00 0.00 0.00 0.00 179.25 178.46 1gqi h ARG 641 N -0.74 0.32 -0.15 0.00 3.08 -1.76 -1.63 114.38 113.51 1gqi h ARG 641 Ca -0.04 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1gqi h ARG 641 Cb 0.50 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1gqi h ARG 641 CO 0.07 0.48 0.05 0.35 -1.07 0.00 0.00 179.97 179.85 1gqi h PHE 642 N 0.30 0.08 -0.78 3.04 3.57 -1.06 -1.59 116.94 120.50 1gqi h PHE 642 Ca 0.06 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1gqi h PHE 642 Cb 0.47 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1gqi h PHE 642 CO 0.01 0.04 0.36 0.00 -2.23 0.00 0.00 178.31 176.49 1gqi h ALA 643 N 1.09 1.01 -0.10 2.41 0.00 -0.97 -1.36 119.26 121.35 1gqi h ALA 643 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1gqi h ALA 643 Cb 0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1gqi h ALA 643 CO -0.07 0.60 0.02 0.37 0.00 0.00 0.00 179.25 180.17 1gqi h GLN 644 N 1.12 0.16 -0.63 0.00 4.15 -1.05 -1.20 115.11 117.65 1gqi h GLN 644 Ca 0.27 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.59 1gqi h GLN 644 Cb 0.15 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1gqi h GLN 644 CO -0.03 0.33 0.14 0.28 -1.93 0.00 0.00 178.83 177.62 1gqi h VAL 645 N -0.05 1.26 -0.35 2.39 2.07 -1.22 -0.55 116.25 119.80 1gqi h VAL 645 Ca 0.03 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.66 1gqi h VAL 645 Cb 0.24 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1gqi h VAL 645 CO 0.00 0.35 0.06 0.50 0.02 0.00 0.00 177.57 178.51 1gqi h LYS 646 N 0.93 0.17 -0.42 1.57 3.64 -1.15 -0.28 116.57 121.03 1gqi h LYS 646 Ca 0.20 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1gqi h LYS 646 Cb 0.38 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1gqi h LYS 646 CO 0.00 0.12 0.09 0.00 -2.27 0.00 0.00 179.45 177.39 1gqi h ALA 647 N 1.26 0.56 -1.00 5.00 0.00 -0.88 -2.38 119.26 121.82 1gqi h ALA 647 Ca 0.16 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1gqi h ALA 647 Cb 0.19 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1gqi h ALA 647 CO -0.22 0.25 0.66 -0.07 0.00 0.00 0.00 179.25 179.87 1gqi h LEU 648 N 0.55 1.10 -1.34 0.00 3.38 -0.86 -1.19 115.31 116.95 1gqi h LEU 648 Ca 0.13 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1gqi h LEU 648 Cb 0.34 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1gqi h LEU 648 CO 0.00 0.76 0.05 -0.07 0.09 0.00 0.00 178.44 179.28 1gqi h LEU 649 N 1.28 0.45 -0.47 1.67 3.38 -0.82 0.34 115.31 121.15 1gqi h LEU 649 Ca 0.39 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1gqi h LEU 649 Cb -0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1gqi h LEU 649 CO -0.12 0.48 0.24 1.56 0.09 0.00 0.00 178.44 180.70 1gqi h GLN 650 N 0.48 0.67 -0.65 1.13 4.20 -0.72 -0.65 115.11 119.58 1gqi h GLN 650 Ca 0.11 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1gqi h GLN 650 Cb 0.24 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1gqi h GLN 650 CO 0.00 0.55 0.43 0.28 -0.67 0.00 0.00 178.83 179.42 1gqi h VAL 651 N 0.62 1.16 -0.62 -0.54 2.07 -0.71 -2.15 116.25 116.08 1gqi h VAL 651 Ca 0.16 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1gqi h VAL 651 Cb 0.09 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 1gqi h VAL 651 CO -0.02 0.16 0.31 -0.61 0.02 0.00 0.00 177.57 177.42 1gqi h GLN 652 N 0.87 0.89 -0.53 1.57 4.15 -0.76 -0.48 115.11 120.82 1gqi h GLN 652 Ca 0.24 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 1gqi h GLN 652 Cb -0.09 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.41 1gqi h GLN 652 CO -0.06 0.70 0.16 1.49 -1.93 0.00 0.00 178.83 179.20 1gqi h GLU 653 N 0.85 0.82 -0.57 1.69 4.22 -0.91 0.24 114.58 120.91 1gqi h GLU 653 Ca 0.21 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1gqi h GLU 653 Cb 0.10 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1gqi h GLU 653 CO -0.03 0.75 0.36 -0.09 -2.18 0.00 0.00 179.01 177.83 1gqi h ARG 654 N 0.72 0.77 -0.21 1.92 2.43 -1.04 -1.26 114.38 117.71 1gqi h ARG 654 Ca 0.17 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 1gqi h ARG 654 Cb 0.28 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1gqi h ARG 654 CO -0.01 0.53 -0.45 0.93 -1.51 0.00 0.00 179.97 179.47 1gqi h GLU 655 N 0.78 0.53 -0.73 0.20 4.39 -0.75 -1.99 114.58 117.01 1gqi h GLU 655 Ca 0.21 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1gqi h GLU 655 Cb -0.05 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1gqi h GLU 655 CO -0.04 0.88 0.36 0.00 -1.16 0.00 0.00 179.01 179.05 1gqi h ALA 656 N 1.08 0.94 -0.76 3.43 0.00 -0.25 0.83 119.26 124.52 1gqi h ALA 656 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1gqi h ALA 656 Cb 0.96 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1gqi h ALA 656 CO 0.08 0.49 0.40 0.28 0.00 0.00 0.00 179.25 180.51 1gqi h VAL 657 N 1.02 1.23 -0.60 0.00 2.07 -1.08 0.75 116.25 119.64 1gqi h VAL 657 Ca 0.25 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1gqi h VAL 657 Cb 0.10 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 1gqi h VAL 657 CO -0.03 0.27 0.26 -0.09 0.02 0.00 0.00 177.57 178.00 1gqi h ARG 658 N 1.06 0.87 0.22 1.57 2.43 -0.63 0.50 114.38 120.40 1gqi h ARG 658 Ca 0.27 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1gqi h ARG 658 Cb 0.06 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1gqi h ARG 658 CO -0.04 0.72 -0.11 -1.49 -1.51 0.00 0.00 179.97 177.54 1gqi h TRP 659 N 0.82 -0.29 0.10 2.20 4.06 -0.52 -0.24 115.95 122.08 1gqi h TRP 659 Ca 0.20 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 61.16 1gqi h TRP 659 Cb 0.16 0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.39 1gqi h TRP 659 CO 0.00 -0.18 -0.21 -0.09 -3.56 0.00 0.00 178.44 174.40 1gqi h ARG 660 N -0.31 -0.38 -0.52 0.49 2.43 -0.60 -0.61 114.38 114.88 1gqi h ARG 660 Ca -0.03 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1gqi h ARG 660 Cb 0.24 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1gqi h ARG 660 CO 0.04 -0.25 0.24 -0.91 -1.51 0.00 0.00 179.97 177.58 1gqi h ASN 661 N -0.39 0.69 -0.37 -3.80 4.21 -0.85 0.58 115.58 115.65 1gqi h ASN 661 Ca 0.03 -0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.39 1gqi h ASN 661 Cb 0.42 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.42 1gqi h ASN 661 CO -0.13 0.64 0.20 0.28 -1.29 0.00 0.00 177.43 177.14 1gqi h SER 662 N 0.70 0.46 -0.09 5.81 0.02 -0.80 -0.75 113.55 118.89 1gqi h SER 662 Ca 0.18 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1gqi h SER 662 Cb 0.14 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.57 1gqi h SER 662 CO -0.02 0.42 -0.43 0.00 -1.14 0.00 0.00 176.83 175.66 1gqi h VAL 664 N 0.01 1.19 -0.29 0.00 2.07 -0.86 0.05 116.25 118.42 1gqi h VAL 664 Ca -0.03 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 1gqi h VAL 664 Cb 1.08 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1gqi h VAL 664 CO 0.09 0.21 -0.18 -0.07 0.02 0.00 0.00 177.57 177.64 1gqi h LEU 665 N 0.43 0.50 0.37 2.57 3.38 -1.19 0.08 115.31 121.46 1gqi h LEU 665 Ca 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1gqi h LEU 665 Cb 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1gqi h LEU 665 CO -0.01 0.70 -0.18 0.22 0.09 0.00 0.00 178.44 179.27 1gqi h TYR 666 N 0.46 -0.46 -0.28 1.13 3.20 -0.80 -1.39 116.97 118.83 1gqi h TYR 666 Ca 0.08 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1gqi h TYR 666 Cb 0.58 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1gqi h TYR 666 CO 0.02 -0.15 0.15 0.74 -1.64 0.00 0.00 178.16 177.29 1gqi h PHE 667 N -0.78 0.37 -0.71 -3.82 0.04 -0.89 -1.38 116.94 109.76 1gqi h PHE 667 Ca -0.05 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1gqi h PHE 667 Cb 0.52 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.51 1gqi h PHE 667 CO 0.01 0.26 0.40 0.37 -0.60 0.00 0.00 178.31 178.75 1gqi h GLN 668 N 0.39 0.99 0.00 1.51 4.15 -0.87 0.12 115.11 121.40 1gqi h GLN 668 Ca 0.10 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1gqi h GLN 668 Cb 0.01 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.50 1gqi h GLN 668 CO -0.02 0.73 -0.06 0.66 -1.93 0.00 0.00 178.83 178.21 1gqi h SER 669 N 0.98 0.00 0.07 -0.69 4.64 -0.11 0.39 113.55 118.83 1gqi h SER 669 Ca 0.25 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.27 1gqi h SER 669 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1gqi h SER 669 CO -0.04 0.06 -1.63 0.58 -0.87 0.00 0.00 176.83 174.93 1gqi h VAL 670 N 0.00 0.78 0.00 0.95 2.07 -1.18 -3.39 116.25 115.48 1gqi h VAL 670 Ca -0.00 -2.27 -0.15 0.00 0.82 0.00 0.00 66.70 65.10 1gqi h VAL 670 Cb 0.14 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1gqi h VAL 670 CO 0.01 0.62 -0.71 0.00 0.02 0.00 0.00 177.57 177.51 1gqi h ALA 671 N -0.20 0.66 -5.20 1.67 0.00 -0.57 -3.25 119.26 112.37 1gqi h ALA 671 Ca -0.38 -0.64 -0.31 0.00 0.00 0.00 0.00 54.91 53.57 1gqi h ALA 671 Cb 1.68 -0.11 0.14 0.00 0.00 0.00 0.00 17.79 19.50 1gqi h ALA 671 CO -0.05 0.89 -0.64 0.41 0.00 0.00 0.00 179.25 179.85 1gqi n GLY 672 N 0.91 -0.30 3.22 0.00 0.00 0.14 -4.84 105.19 104.32 1gqi n GLY 672 Ca 0.00 0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1gqi n GLY 672 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqi s ARG 673 N -5.58 1.02 0.45 1.61 0.52 -1.25 -5.10 118.95 110.61 1gqi s ARG 673 Ca 0.21 -1.00 -0.22 0.00 -0.52 0.00 0.00 55.73 54.20 1gqi s ARG 673 Cb -0.09 -1.15 -0.09 0.00 0.52 0.00 0.00 34.95 34.14 1gqi s ARG 673 CO 0.64 0.27 1.02 -1.25 0.02 0.00 0.00 175.30 176.00 1gqi s PRO 674 N -1.64 3.99 -0.04 3.54 0.04 -1.26 -4.84 135.00 134.79 1gqi s PRO 674 Ca 0.03 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 1gqi s PRO 674 Cb -0.10 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1gqi s PRO 674 CO 0.03 -0.26 1.30 0.42 0.04 0.00 0.00 177.00 178.52 1gqi s ILE 675 N -1.91 4.01 0.28 0.56 1.01 -1.26 -4.95 121.20 118.93 1gqi s ILE 675 Ca 0.63 1.35 -0.28 0.00 0.00 0.00 0.00 60.65 62.35 1gqi s ILE 675 Cb -0.17 -3.87 -0.14 0.00 0.01 0.00 0.00 42.46 38.29 1gqi s ILE 675 CO 0.21 -0.01 0.99 -2.65 0.00 0.00 0.00 174.94 173.48 1gqi n PRO 676 N 5.37 1.26 0.28 2.79 -0.02 -1.26 -4.83 135.00 138.59 1gqi n PRO 676 Ca 0.12 0.44 0.15 0.00 -2.02 0.00 0.00 63.50 62.19 1gqi n PRO 676 Cb 0.45 -1.80 0.89 0.00 -0.02 0.00 0.00 33.50 33.02 1gqi n PRO 676 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gqi h ALA 677 N 2.03 1.60 0.00 3.55 0.00 -2.02 -2.19 119.26 122.22 1gqi h ALA 677 Ca -0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1gqi h ALA 677 Cb 1.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1gqi h ALA 677 CO 0.61 -0.04 -0.08 -2.95 0.00 0.00 0.00 179.25 176.79 1gqi h ASN 678 N 0.00 0.00 -3.86 0.00 -1.07 -2.04 -3.44 115.58 105.17 1gqi h ASN 678 Ca 0.01 0.00 -0.47 0.00 0.07 0.00 0.00 56.30 55.91 1gqi h ASN 678 Cb 0.07 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.30 1gqi h ASN 678 CO -0.00 0.08 0.19 -0.31 0.07 0.00 0.00 177.43 177.46 1gqi s TYR 679 N -4.07 3.36 0.01 4.14 2.02 -0.83 -5.00 117.35 116.98 1gqi s TYR 679 Ca -0.02 1.35 -0.30 0.00 -0.37 0.00 0.00 57.07 57.72 1gqi s TYR 679 Cb 0.12 -2.64 -0.07 0.00 -0.40 0.00 0.00 41.96 38.97 1gqi s TYR 679 CO 0.55 -0.01 1.59 -2.00 -1.57 0.00 0.00 175.55 174.11 1gqi s GLU 680 N -3.16 4.21 0.07 -0.62 2.12 -1.26 -4.97 118.70 115.09 1gqi s GLU 680 Ca 0.57 2.19 -0.28 0.00 0.36 0.00 0.00 54.97 57.81 1gqi s GLU 680 Cb -0.10 -3.73 -0.06 0.00 0.26 0.00 0.00 34.13 30.51 1gqi s GLU 680 CO 0.18 -0.73 0.87 -0.65 -0.54 0.00 0.00 175.26 174.38 1gqi s GLN 681 N 3.08 4.60 0.79 4.30 -1.52 -1.26 -5.02 119.66 124.63 1gqi s GLN 681 Ca 0.71 1.26 -0.15 0.00 -1.95 0.00 0.00 55.36 55.24 1gqi s GLN 681 Cb -0.35 -3.37 0.01 0.00 -0.22 0.00 0.00 33.01 29.07 1gqi s GLN 681 CO 0.30 0.24 0.70 -2.30 -0.25 0.00 0.00 175.29 173.98 1gqi n PRO 682 N 2.84 0.17 -0.03 2.91 -0.02 -1.26 -4.91 135.00 134.70 1gqi n PRO 682 Ca 0.00 0.11 0.03 0.00 -2.02 0.00 0.00 63.50 61.63 1gqi n PRO 682 Cb 0.50 -2.02 -0.13 0.00 -0.02 0.00 0.00 33.50 31.82 1gqi n PRO 682 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1gqi n GLU 683 N -1.63 0.79 -3.10 -0.52 0.00 -1.26 -4.95 120.64 109.97 1gqi n GLU 683 Ca 0.10 -0.11 -0.18 0.00 0.00 0.00 0.00 57.16 56.97 1gqi n GLU 683 Cb 0.51 -1.42 0.01 0.00 0.00 0.00 0.00 31.44 30.54 1gqi n GLU 683 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1gqi s HIS 684 N -2.96 2.65 0.67 4.31 0.09 -1.26 -5.11 115.29 113.67 1gqi s HIS 684 Ca -0.07 -0.45 0.05 0.00 -0.00 0.00 0.00 55.06 54.59 1gqi s HIS 684 Cb 0.09 -2.33 0.12 0.00 -0.00 0.00 0.00 32.58 30.46 1gqi s HIS 684 CO 0.72 -0.45 0.92 0.16 -0.00 0.00 0.00 174.74 176.08 1gqi s ASP 685 N -4.35 4.63 0.23 1.40 3.84 -1.26 -4.98 116.67 116.18 1gqi s ASP 685 Ca 0.54 -0.68 -0.07 0.00 -0.00 0.00 0.00 52.55 52.34 1gqi s ASP 685 Cb -0.09 0.28 0.20 0.00 -1.38 0.00 0.00 42.92 41.94 1gqi s ASP 685 CO 0.33 -1.68 1.87 0.25 -0.00 0.00 0.00 175.17 175.93 1gqi h LEU 686 N -0.23 1.08 -1.39 2.11 5.85 -1.95 -2.22 115.31 118.56 1gqi h LEU 686 Ca -0.32 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.40 1gqi h LEU 686 Cb 1.28 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 1gqi h LEU 686 CO 0.39 0.85 0.49 -0.08 -0.34 0.00 0.00 178.44 179.75 1gqi h GLU 687 N 1.23 0.69 -0.78 1.25 4.57 -1.99 -0.63 114.58 118.93 1gqi h GLU 687 Ca 0.32 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1gqi h GLU 687 Cb -0.02 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.38 1gqi h GLU 687 CO -0.06 0.46 0.45 -0.92 -1.18 0.00 0.00 179.01 177.77 1gqi h TYR 688 N 0.71 1.04 0.00 0.92 5.03 -1.78 -0.23 116.97 122.66 1gqi h TYR 688 Ca 0.33 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.63 1gqi h TYR 688 Cb 0.37 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.31 1gqi h TYR 688 CO -0.00 0.71 -0.18 1.88 -1.32 0.00 0.00 178.16 179.24 1gqi h TYR 689 N 1.07 0.00 -0.63 -3.82 -1.99 -1.10 0.22 116.97 110.72 1gqi h TYR 689 Ca 0.28 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.94 1gqi h TYR 689 Cb -0.01 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.69 1gqi h TYR 689 CO -0.00 0.02 0.12 0.87 -0.00 0.00 0.00 178.16 179.17 1gqi h LYS 690 N 0.00 1.01 -0.55 4.88 1.57 -0.68 -0.26 116.57 122.53 1gqi h LYS 690 Ca -0.00 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.45 1gqi h LYS 690 Cb 1.01 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1gqi h LYS 690 CO 0.00 0.91 -0.02 1.98 -0.57 0.00 0.00 179.45 181.76 1gqi h MET 691 N 0.95 0.98 -0.45 3.15 4.05 -0.62 -1.89 114.93 121.10 1gqi h MET 691 Ca 0.20 -0.32 -0.06 0.00 -0.28 0.00 0.00 59.70 59.23 1gqi h MET 691 Cb 0.38 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 1gqi h MET 691 CO 0.01 0.99 0.02 -0.07 0.23 0.00 0.00 176.91 178.09 1gqi h LEU 692 N 0.86 0.69 -1.17 3.39 3.38 -0.67 -1.36 115.31 120.44 1gqi h LEU 692 Ca 0.15 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1gqi h LEU 692 Cb 0.56 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1gqi h LEU 692 CO 0.03 0.75 0.18 0.00 0.09 0.00 0.00 178.44 179.49 1gqi h ALA 693 N 1.33 1.34 0.00 1.53 0.00 -0.50 0.50 119.26 123.46 1gqi h ALA 693 Ca 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1gqi h ALA 693 Cb 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1gqi h ALA 693 CO 0.01 0.49 -0.20 0.00 0.00 0.00 0.00 179.25 179.55 1gqi h ARG 694 N 0.75 0.00 0.00 0.00 3.08 -0.75 -3.38 114.38 114.08 1gqi h ARG 694 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1gqi h ARG 694 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1gqi h ARG 694 CO -0.01 0.20 -0.42 0.25 -1.07 0.00 0.00 179.97 178.92 1gqi n THR 695 N -3.19 0.00 -2.61 2.04 -2.24 -0.57 -4.73 114.28 102.99 1gqi n THR 695 Ca 0.02 -0.33 -0.42 0.00 -2.27 0.00 0.00 64.05 61.05 1gqi n THR 695 Cb 0.55 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.63 1gqi n THR 695 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1gqi s THR 696 N -1.62 4.60 0.15 4.28 2.01 0.13 -4.94 115.64 120.26 1gqi s THR 696 Ca 0.01 1.88 -0.34 0.00 0.31 0.00 0.00 61.69 63.55 1gqi s THR 696 Cb 0.03 -4.21 -0.15 0.00 0.01 0.00 0.00 72.50 68.18 1gqi s THR 696 CO 0.19 0.02 1.41 0.00 -0.69 0.00 0.00 174.62 175.56 1gqi n TYR 697 N 4.90 1.86 -3.31 4.92 9.36 -1.26 -4.95 117.16 128.68 1gqi n TYR 697 Ca 0.09 0.48 -0.43 0.00 3.32 0.00 0.00 57.90 61.36 1gqi n TYR 697 Cb 0.48 -2.42 -0.08 0.00 -0.63 0.00 0.00 39.34 36.69 1gqi n TYR 697 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1gqi s VAL 698 N 0.45 5.09 -1.33 2.97 1.01 -1.26 -5.01 120.40 122.32 1gqi s VAL 698 Ca 0.78 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 1gqi s VAL 698 Cb -0.79 -4.10 0.13 0.00 0.00 0.00 0.00 36.38 31.61 1gqi s VAL 698 CO 0.45 -0.53 1.94 -0.81 0.00 0.00 0.00 175.10 176.15 1gqi n PRO 699 N 5.60 3.36 -3.68 2.72 -0.04 -1.26 -4.30 135.00 137.41 1gqi n PRO 699 Ca -0.08 -3.27 -0.10 0.00 -0.04 0.00 0.00 63.50 60.00 1gqi n PRO 699 Cb 0.46 -3.06 -0.10 0.00 -0.04 0.00 0.00 33.50 30.75 1gqi n PRO 699 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1gqi s GLU 700 N 1.46 0.39 0.25 0.54 2.12 -1.26 -4.79 118.70 117.41 1gqi s GLU 700 Ca 0.43 0.88 -0.05 0.00 0.36 0.00 0.00 54.97 56.59 1gqi s GLU 700 Cb 0.10 0.09 0.32 0.00 0.26 0.00 0.00 34.13 34.89 1gqi s GLU 700 CO -0.02 -0.18 1.89 -1.35 -0.54 0.00 0.00 175.26 175.06 1gqi h PRO 701 N 7.42 1.16 -0.14 4.30 0.11 -1.88 -3.32 132.00 139.65 1gqi h PRO 701 Ca -0.30 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.72 1gqi h PRO 701 Cb 1.16 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1gqi h PRO 701 CO 0.24 0.77 0.00 2.35 -0.21 0.00 0.00 178.00 181.15 1gqi h TRP 702 N 1.19 0.27 -3.72 0.65 7.01 -1.86 -3.44 115.95 116.05 1gqi h TRP 702 Ca 0.38 -0.04 -0.50 0.00 2.11 0.00 0.00 58.89 60.84 1gqi h TRP 702 Cb 0.02 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 1gqi h TRP 702 CO -0.01 0.47 0.36 -1.58 -2.79 0.00 0.00 178.44 174.89 1gqi s HIS 703 N -5.01 3.92 0.63 2.65 2.46 -1.25 -4.90 115.29 113.79 1gqi s HIS 703 Ca -0.14 1.87 0.32 0.00 0.47 0.00 0.00 55.06 57.59 1gqi s HIS 703 Cb 0.06 -3.02 1.80 0.00 -0.13 0.00 0.00 32.58 31.28 1gqi s HIS 703 CO 0.71 0.31 2.08 -1.35 -2.47 0.00 0.00 174.74 174.03 1gqi h PRO 704 N 4.41 0.00 -0.04 2.88 0.11 -1.91 -2.24 132.00 135.22 1gqi h PRO 704 Ca -0.45 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.67 1gqi h PRO 704 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1gqi h PRO 704 CO 0.69 0.00 0.03 0.00 -0.21 0.00 0.00 178.00 178.51 1gqi h ALA 705 N 1.65 1.91 0.00 -0.75 0.00 -1.92 -0.52 119.26 119.62 1gqi h ALA 705 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1gqi h ALA 705 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1gqi h ALA 705 CO -0.00 -0.05 0.00 0.66 0.00 0.00 0.00 179.25 179.86 1gqi h SER 706 N 0.00 0.00 -0.11 0.00 4.64 -1.59 -1.74 113.55 114.75 1gqi h SER 706 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1gqi h SER 706 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1gqi h SER 706 CO -0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1gqi n SER 707 N -2.69 2.91 -4.71 4.97 7.64 -0.21 -4.83 113.62 116.70 1gqi n SER 707 Ca -0.00 -1.94 -0.42 0.00 1.01 0.00 0.00 58.87 57.52 1gqi n SER 707 Cb 0.19 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 1gqi n SER 707 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1gqi s SER 708 N -1.88 6.68 -0.06 6.43 0.15 -0.66 -4.90 113.70 119.48 1gqi s SER 708 Ca 0.31 2.49 0.18 0.00 0.70 0.00 0.00 55.95 59.63 1gqi s SER 708 Cb 0.21 -2.59 0.61 0.00 -1.71 0.00 0.00 66.02 62.54 1gqi s SER 708 CO 0.31 -0.76 1.51 0.54 1.20 0.00 0.00 173.24 176.03 1gqi n ARG 709 N 4.07 3.01 -1.81 5.44 1.74 -1.26 -4.97 116.66 122.89 1gqi n ARG 709 Ca 0.13 -2.44 -0.42 0.00 -0.77 0.00 0.00 57.85 54.35 1gqi n ARG 709 Cb 0.40 -1.68 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 1gqi n ARG 709 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gqi s VAL 710 N -1.51 2.18 0.00 1.55 1.01 -1.26 -4.89 120.40 117.47 1gqi s VAL 710 Ca 0.44 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1gqi s VAL 710 Cb 0.26 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1gqi s VAL 710 CO 0.25 0.02 0.51 0.18 0.00 0.00 0.00 175.10 176.06 1gqi n LEU 711 N 2.89 0.90 0.00 3.92 4.77 -1.26 -4.61 117.00 123.60 1gqi n LEU 711 Ca 0.11 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1gqi n LEU 711 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1gqi n LEU 711 CO 0.63 0.22 0.00 0.29 -1.33 0.00 0.00 177.39 177.20