#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 3.41 0.00 1.62 5.68 -1.26 -4.46 116.55 121.53 1gqi n ASP 6 Ca 0.00 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 1gqi n ASP 6 Cb 0.00 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 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 0.69 1.88 0.29 6.12 0.00 -1.26 -3.85 105.19 109.06 1gqi n GLY 7 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 0.48 0.00 1.61 3.20 -1.88 -1.77 116.97 118.61 1gqi h TYR 8 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1gqi h TYR 8 Cb 0.00 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1gqi h TYR 8 CO 0.00 0.37 -0.02 -0.25 -1.64 0.00 0.00 178.16 176.62 1gqi n ASP 9 N -4.41 0.03 0.00 -2.11 8.00 -1.26 -4.96 116.55 111.84 1gqi n ASP 9 Ca 0.02 0.47 0.00 0.00 0.71 0.00 0.00 54.79 56.00 1gqi n ASP 9 Cb 0.13 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 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 -1.51 0.00 -0.04 -1.24 2.81 -0.66 -1.36 117.12 115.11 1gqi n MET 10 Ca 0.07 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.08 1gqi n MET 10 Cb 0.34 0.00 0.44 0.00 -0.71 0.00 0.00 33.22 33.29 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 0.11 -2.65 2.03 2.14 -1.26 -4.41 117.44 127.40 1gqi n TRP 11 Ca 0.00 -0.06 -0.41 0.00 2.07 0.00 0.00 57.50 59.11 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 0.32 7.31 -4.44 5.67 4.77 -0.46 -4.65 117.00 125.52 1gqi n LEU 12 Ca 0.18 -5.39 -0.44 0.00 -0.03 0.00 0.00 56.01 50.33 1gqi n LEU 12 Cb 0.36 -1.16 -0.08 0.00 -2.33 0.00 0.00 43.42 40.21 1gqi n LEU 12 CO 0.15 2.05 0.14 -0.13 -1.33 0.00 0.00 177.39 178.26 1gqi s ARG 13 N -4.30 3.06 -1.07 3.23 0.52 -1.26 -4.88 118.95 114.24 1gqi s ARG 13 Ca 0.39 -1.01 -0.04 0.00 -0.52 0.00 0.00 55.73 54.55 1gqi s ARG 13 Cb 0.19 -4.06 0.31 0.00 0.52 0.00 0.00 34.95 31.90 1gqi s ARG 13 CO -0.13 -1.01 1.44 0.66 0.02 0.00 0.00 175.30 176.29 1gqi n TYR 14 N 5.61 2.47 -3.97 -0.53 4.01 -1.26 -4.97 117.16 118.52 1gqi n TYR 14 Ca -0.09 -2.70 -0.29 0.00 -0.16 0.00 0.00 57.90 54.66 1gqi n TYR 14 Cb 0.46 -1.27 -0.04 0.00 -0.31 0.00 0.00 39.34 38.17 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 -2.70 3.27 0.30 -0.72 -0.21 -1.26 -3.81 119.66 114.53 1gqi s GLN 15 Ca 0.31 -0.58 -0.30 0.00 0.02 0.00 0.00 55.36 54.81 1gqi s GLN 15 Cb 0.04 -2.91 -0.12 0.00 1.00 0.00 0.00 33.01 31.02 1gqi s GLN 15 CO 0.09 0.56 1.49 -0.35 -2.12 0.00 0.00 175.29 174.97 1gqi n PRO 16 N -0.00 2.47 -1.68 2.91 -0.04 -0.95 -4.08 135.00 133.63 1gqi n PRO 16 Ca -0.07 0.87 -0.46 0.00 -0.04 0.00 0.00 63.50 63.81 1gqi n PRO 16 Cb 0.52 -2.59 -0.04 0.00 -0.04 0.00 0.00 33.50 31.35 1gqi n PRO 16 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1gqi n ILE 17 N 1.57 0.22 0.09 0.52 2.08 -0.58 -4.88 119.36 118.38 1gqi n ILE 17 Ca 0.08 -0.04 -0.07 0.00 0.56 0.00 0.00 62.75 63.28 1gqi n ILE 17 Cb 0.36 -1.74 -0.02 0.00 -0.75 0.00 0.00 39.64 37.49 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 7.28 0.53 -1.75 -1.39 0.00 -1.92 -3.42 119.26 118.59 1gqi h ALA 18 Ca -0.46 -0.77 -0.56 0.00 0.00 0.00 0.00 54.91 53.12 1gqi h ALA 18 Cb 1.25 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1gqi h ALA 18 CO 0.92 1.02 1.09 0.34 0.00 0.00 0.00 179.25 182.62 1gqi s ASP 19 N -6.83 6.25 0.35 0.00 -1.08 -1.26 -4.89 116.67 109.20 1gqi s ASP 19 Ca -0.01 0.74 0.05 0.00 -0.52 0.00 0.00 52.55 52.81 1gqi s ASP 19 Cb 0.10 -2.54 0.64 0.00 -1.46 0.00 0.00 42.92 39.67 1gqi s ASP 19 CO 0.81 -1.52 1.90 1.56 0.52 0.00 0.00 175.17 178.44 1gqi h GLN 20 N 11.00 0.52 -0.44 4.34 1.08 -2.00 -0.74 115.11 128.88 1gqi h GLN 20 Ca -0.28 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 56.74 1gqi h GLN 20 Cb 1.11 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1gqi h GLN 20 CO 1.10 0.52 -0.04 1.15 -0.95 0.00 0.00 178.83 180.61 1gqi h THR 21 N 0.51 1.27 -0.36 -0.54 2.02 -1.96 -2.03 112.91 111.82 1gqi h THR 21 Ca 0.11 -1.11 -0.15 0.00 0.77 0.00 0.00 66.41 66.03 1gqi h THR 21 Cb 0.27 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1gqi h THR 21 CO 0.00 0.38 -0.37 -0.07 0.37 0.00 0.00 175.52 175.83 1gqi h LEU 22 N 0.63 0.90 -0.56 2.58 3.38 -1.86 -2.70 115.31 117.68 1gqi h LEU 22 Ca 0.12 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.74 1gqi h LEU 22 Cb 0.56 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1gqi h LEU 22 CO 0.03 1.17 0.28 0.25 0.09 0.00 0.00 178.44 180.26 1gqi h LEU 23 N 0.70 0.39 -0.99 1.67 5.85 -1.04 -1.50 115.31 120.39 1gqi h LEU 23 Ca 0.06 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1gqi h LEU 23 Cb 0.94 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1gqi h LEU 23 CO 0.09 0.26 0.34 0.11 -0.34 0.00 0.00 178.44 178.90 1gqi h LYS 24 N 0.53 1.06 -0.32 1.25 1.79 -1.28 0.51 116.57 120.11 1gqi h LYS 24 Ca 0.25 -0.16 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1gqi h LYS 24 Cb 0.19 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 1gqi h LYS 24 CO -0.19 0.83 0.11 1.15 -1.08 0.00 0.00 179.45 180.27 1gqi h THR 25 N 1.05 1.20 -0.84 -0.16 2.02 -1.07 -1.55 112.91 113.57 1gqi h THR 25 Ca 0.25 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 1gqi h THR 25 Cb 0.13 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1gqi h THR 25 CO -0.03 0.22 0.40 1.88 0.37 0.00 0.00 175.52 178.36 1gqi h TYR 26 N 0.37 1.21 -0.55 3.16 0.05 -0.70 -1.73 116.97 118.78 1gqi h TYR 26 Ca 0.10 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1gqi h TYR 26 Cb 0.24 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 1gqi h TYR 26 CO 0.00 0.87 0.30 1.96 -1.05 0.00 0.00 178.16 180.25 1gqi h GLN 27 N 1.20 0.75 -0.04 4.88 4.20 -0.70 -0.15 115.11 125.25 1gqi h GLN 27 Ca 0.29 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.76 1gqi h GLN 27 Cb 0.12 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1gqi h GLN 27 CO -0.04 0.56 -0.70 0.87 -0.67 0.00 0.00 178.83 178.85 1gqi h LYS 28 N 0.76 0.21 0.19 1.46 1.57 -0.95 -3.34 116.57 116.47 1gqi h LYS 28 Ca 0.20 -0.17 -0.33 0.00 -1.87 0.00 0.00 60.65 58.48 1gqi h LYS 28 Cb 0.02 0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.38 1gqi h LYS 28 CO -0.03 0.82 -1.56 1.96 -0.57 0.00 0.00 179.45 180.07 1gqi h GLN 29 N 0.14 0.40 -3.51 3.15 4.20 -0.53 -3.41 115.11 115.55 1gqi h GLN 29 Ca -0.02 -0.69 -0.66 0.00 0.06 0.00 0.00 58.65 57.34 1gqi h GLN 29 Cb 1.24 0.26 -0.39 0.00 0.30 0.00 0.00 27.48 28.89 1gqi h GLN 29 CO 0.11 1.31 -0.55 0.42 -0.67 0.00 0.00 178.83 179.45 1gqi s ILE 30 N -2.60 2.93 -0.17 2.54 -1.09 -0.14 -4.22 121.20 118.45 1gqi s ILE 30 Ca -0.11 -3.16 0.22 0.00 -2.23 0.00 0.00 60.65 55.37 1gqi s ILE 30 Cb 0.05 -2.99 -0.31 0.00 -1.58 0.00 0.00 42.46 37.63 1gqi s ILE 30 CO 0.89 -0.81 0.56 0.54 -1.23 0.00 0.00 174.94 174.89 1gqi n ARG 31 N 3.28 0.57 -3.89 2.79 1.74 0.50 -4.73 116.66 116.92 1gqi n ARG 31 Ca 0.06 -0.16 -0.09 0.00 -0.77 0.00 0.00 57.85 56.88 1gqi n ARG 31 Cb 0.34 -1.53 -0.08 0.00 -1.02 0.00 0.00 32.46 30.17 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 -3.44 0.17 -0.20 -1.55 3.76 -1.06 -4.98 115.29 107.99 1gqi s HIS 32 Ca -0.06 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 1gqi s HIS 32 Cb 0.14 -0.10 0.05 0.00 1.11 0.00 0.00 32.58 33.78 1gqi s HIS 32 CO 0.90 -0.47 -0.07 -1.17 -0.85 0.00 0.00 174.74 173.09 1gqi s LEU 33 N -2.52 2.13 -0.26 0.89 2.96 -1.26 -0.37 118.68 120.24 1gqi s LEU 33 Ca 0.01 -0.90 -0.07 0.00 -0.22 0.00 0.00 54.13 52.94 1gqi s LEU 33 Cb 0.02 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 1gqi s LEU 33 CO -0.08 -0.19 0.07 -2.28 -1.32 0.00 0.00 176.35 172.55 1gqi s HIS 34 N 1.48 3.09 -0.19 5.38 5.65 0.45 -1.49 115.29 129.66 1gqi s HIS 34 Ca -0.02 -0.60 -0.03 0.00 0.25 0.00 0.00 55.06 54.66 1gqi s HIS 34 Cb -0.17 -2.24 0.06 0.00 -1.18 0.00 0.00 32.58 29.05 1gqi s HIS 34 CO -0.07 -0.43 0.04 0.08 -0.65 0.00 0.00 174.74 173.70 1gqi s VAL 35 N 1.58 0.48 0.05 0.89 1.01 -0.48 -2.00 120.40 121.93 1gqi s VAL 35 Ca 0.05 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1gqi s VAL 35 Cb -0.16 -1.00 -0.24 0.00 0.00 0.00 0.00 36.38 34.98 1gqi s VAL 35 CO 0.03 -0.21 1.02 0.00 0.00 0.00 0.00 175.10 175.93 1gqi h ALA 36 N 8.26 0.37 -2.41 5.51 0.00 -1.82 -3.34 119.26 125.83 1gqi h ALA 36 Ca -0.16 -1.07 -0.49 0.00 0.00 0.00 0.00 54.91 53.19 1gqi h ALA 36 Cb 1.12 0.12 0.12 0.00 0.00 0.00 0.00 17.79 19.14 1gqi h ALA 36 CO 0.33 1.24 0.33 0.20 0.00 0.00 0.00 179.25 181.35 1gqi s GLY 37 N -4.85 1.62 0.00 0.00 0.00 -1.23 -4.97 107.32 97.88 1gqi s GLY 37 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.48 1gqi s GLY 37 CO 0.84 0.23 0.72 2.09 0.00 0.00 0.00 173.10 176.98 1gqi n ASP 38 N -3.48 0.00 -4.73 1.64 5.68 -1.26 -4.78 116.55 109.62 1gqi n ASP 38 Ca 0.07 -1.51 -0.31 0.00 -0.50 0.00 0.00 54.79 52.54 1gqi n ASP 38 Cb 0.56 -0.10 0.12 0.00 -1.14 0.00 0.00 41.12 40.56 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 -0.51 3.85 0.32 -1.12 1.04 -1.26 -4.72 113.70 111.29 1gqi s SER 39 Ca 0.00 1.89 0.04 0.00 0.48 0.00 0.00 55.95 58.37 1gqi s SER 39 Cb 0.00 -2.50 0.66 0.00 0.10 0.00 0.00 66.02 64.29 1gqi s SER 39 CO 0.00 -2.46 1.86 -0.65 0.98 0.00 0.00 173.24 172.97 1gqi h PRO 40 N -1.43 0.85 -0.24 4.02 0.11 -1.99 0.74 132.00 134.08 1gqi h PRO 40 Ca -0.44 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 1gqi h PRO 40 Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1gqi h PRO 40 CO 0.49 0.56 -0.50 1.15 -0.21 0.00 0.00 178.00 179.49 1gqi h THR 41 N 0.87 1.30 -0.75 -1.15 2.02 -1.92 -0.90 112.91 112.38 1gqi h THR 41 Ca 0.46 -1.71 -0.06 0.00 0.77 0.00 0.00 66.41 65.87 1gqi h THR 41 Cb 0.54 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1gqi h THR 41 CO -0.22 0.54 0.23 0.40 0.37 0.00 0.00 175.52 176.84 1gqi h ILE 42 N 0.49 1.26 -0.72 3.11 1.08 -1.74 -1.36 117.51 119.64 1gqi h ILE 42 Ca 0.00 -0.92 -0.01 0.00 -0.39 0.00 0.00 64.86 63.55 1gqi h ILE 42 Cb 1.11 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 35.27 1gqi h ILE 42 CO 0.11 0.36 0.42 0.78 -0.69 0.00 0.00 178.15 179.14 1gqi h ASN 43 N 1.11 0.86 -0.55 1.72 2.35 -0.73 0.85 115.58 121.20 1gqi h ASN 43 Ca 0.24 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.83 1gqi h ASN 43 Cb 0.32 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1gqi h ASN 43 CO -0.01 0.67 -0.07 0.00 -1.65 0.00 0.00 177.43 176.37 1gqi h ALA 44 N 1.48 0.81 -0.35 -0.83 0.00 -0.65 0.18 119.26 119.91 1gqi h ALA 44 Ca 0.26 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1gqi h ALA 44 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1gqi h ALA 44 CO -0.05 0.67 0.15 0.00 0.00 0.00 0.00 179.25 180.02 1gqi h ALA 45 N 0.98 0.45 -0.75 0.00 0.00 -0.68 -1.38 119.26 117.88 1gqi h ALA 45 Ca 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1gqi h ALA 45 Cb 0.63 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1gqi h ALA 45 CO 0.04 0.04 0.35 0.00 0.00 0.00 0.00 179.25 179.69 1gqi h ALA 46 N 0.99 0.96 -0.66 0.00 0.00 -0.65 -0.38 119.26 119.53 1gqi h ALA 46 Ca 0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1gqi h ALA 46 Cb 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1gqi h ALA 46 CO -0.01 0.53 0.18 0.00 0.00 0.00 0.00 179.25 179.95 1gqi h ALA 47 N 1.18 1.07 -0.30 0.00 0.00 -0.82 0.57 119.26 120.94 1gqi h ALA 47 Ca 0.26 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1gqi h ALA 47 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1gqi h ALA 47 CO -0.03 0.62 -0.07 1.49 0.00 0.00 0.00 179.25 181.26 1gqi h GLU 48 N 0.99 0.58 -0.36 0.00 4.57 -0.80 -1.91 114.58 117.66 1gqi h GLU 48 Ca 0.21 -0.22 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 1gqi h GLU 48 Cb 0.32 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1gqi h GLU 48 CO -0.00 0.77 -0.19 -0.07 -1.18 0.00 0.00 179.01 178.34 1gqi h LEU 49 N 0.35 0.69 -0.02 1.64 3.38 -0.87 0.88 115.31 121.36 1gqi h LEU 49 Ca 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1gqi h LEU 49 Cb 0.55 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1gqi h LEU 49 CO 0.03 0.88 0.01 -0.61 0.09 0.00 0.00 178.44 178.83 1gqi h GLN 50 N 0.61 0.03 -0.29 1.13 4.15 -0.75 0.64 115.11 120.63 1gqi h GLN 50 Ca 0.09 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.36 1gqi h GLN 50 Cb 0.66 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1gqi h GLN 50 CO 0.05 0.17 -0.43 0.07 -1.93 0.00 0.00 178.83 176.76 1gqi h ARG 51 N -0.11 0.74 0.06 1.69 0.11 -1.29 -1.90 114.38 113.68 1gqi h ARG 51 Ca 0.01 -0.40 -0.00 0.00 0.10 0.00 0.00 59.98 59.69 1gqi h ARG 51 Cb 0.15 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1gqi h ARG 51 CO -0.00 1.02 -0.03 0.78 0.10 0.00 0.00 179.97 181.84 1gqi h GLY 52 N 0.92 -0.08 1.06 0.08 0.00 -0.74 -2.09 103.07 102.21 1gqi h GLY 52 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1gqi h GLY 52 CO 0.09 -0.03 0.46 1.41 0.00 0.00 0.00 176.54 178.47 1gqi h LEU 53 N -0.70 1.10 -0.73 3.11 3.38 -0.96 -0.44 115.31 120.07 1gqi h LEU 53 Ca -0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1gqi h LEU 53 Cb 0.59 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1gqi h LEU 53 CO 0.01 0.90 0.34 0.28 0.09 0.00 0.00 178.44 180.07 1gqi h SER 54 N 1.23 0.97 0.01 -0.43 0.02 -1.37 0.31 113.55 114.29 1gqi h SER 54 Ca 0.31 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1gqi h SER 54 Cb 0.05 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.34 1gqi h SER 54 CO -0.05 0.84 -0.00 1.23 -1.14 0.00 0.00 176.83 177.71 1gqi h GLY 55 N 1.03 -0.01 1.69 -3.77 0.00 -1.19 -1.57 103.07 99.26 1gqi h GLY 55 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.49 1gqi h GLY 55 CO -0.03 -0.00 -0.29 1.41 0.00 0.00 0.00 176.54 177.63 1gqi h LEU 56 N -0.63 0.36 -1.18 3.11 3.38 -1.03 -2.51 115.31 116.81 1gqi h LEU 56 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1gqi h LEU 56 Cb 0.61 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1gqi h LEU 56 CO 0.00 0.65 -0.24 0.18 0.09 0.00 0.00 178.44 179.12 1gqi n LEU 57 N -4.11 2.08 -3.78 1.67 4.32 0.09 -1.52 117.00 115.74 1gqi n LEU 57 Ca -0.01 -0.71 -0.26 0.00 -0.02 0.00 0.00 56.01 55.00 1gqi n LEU 57 Cb 0.41 -0.02 0.04 0.00 -1.62 0.00 0.00 43.42 42.23 1gqi n LEU 57 CO 0.41 0.37 0.10 -3.20 -1.22 0.00 0.00 177.39 173.85 1gqi n ASN 58 N 0.30 -4.14 -3.49 -1.43 5.15 -0.63 -4.95 115.26 106.07 1gqi n ASN 58 Ca 0.12 -0.74 -0.13 0.00 -0.60 0.00 0.00 54.58 53.24 1gqi n ASN 58 Cb 0.47 -4.20 -0.03 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 -6.36 1.17 -0.31 1.20 -2.85 -0.97 -5.06 119.74 106.57 1gqi s LYS 59 Ca 0.47 -0.37 -0.29 0.00 -1.00 0.00 0.00 55.97 54.78 1gqi s LYS 59 Cb -0.23 0.54 -0.00 0.00 -2.06 0.00 0.00 37.83 36.08 1gqi s LYS 59 CO 0.80 -0.47 1.40 -1.25 0.10 0.00 0.00 175.35 175.93 1gqi s PRO 60 N -3.19 3.79 -0.18 1.78 0.05 -1.26 -4.16 135.00 131.83 1gqi s PRO 60 Ca -0.01 1.26 -0.01 0.00 0.05 0.00 0.00 61.00 62.28 1gqi s PRO 60 Cb -0.00 -3.95 0.00 0.00 0.05 0.00 0.00 34.50 30.60 1gqi s PRO 60 CO -0.08 -1.29 -0.14 0.42 0.05 0.00 0.00 177.00 175.97 1gqi s ILE 61 N 4.87 2.64 -0.10 0.56 -1.09 -1.26 -5.03 121.20 121.79 1gqi s ILE 61 Ca 0.61 -0.76 0.04 0.00 -2.23 0.00 0.00 60.65 58.31 1gqi s ILE 61 Cb -0.18 -2.14 0.00 0.00 -1.58 0.00 0.00 42.46 38.56 1gqi s ILE 61 CO 0.27 0.50 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.56 1gqi s VAL 62 N 1.17 2.00 0.12 2.92 1.01 -1.26 -4.65 120.40 121.71 1gqi s VAL 62 Ca 0.02 -0.98 -0.31 0.00 0.00 0.00 0.00 61.98 60.70 1gqi s VAL 62 Cb -0.14 -1.73 -0.09 0.00 0.00 0.00 0.00 36.38 34.42 1gqi s VAL 62 CO -0.06 0.55 1.58 0.00 0.00 0.00 0.00 175.10 177.17 1gqi s ALA 63 N 0.34 3.72 0.04 5.51 0.00 -1.26 -4.27 121.76 125.86 1gqi s ALA 63 Ca -0.18 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.07 1gqi s ALA 63 Cb -0.18 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.27 1gqi s ALA 63 CO 0.08 -0.90 -0.06 1.03 0.00 0.00 0.00 175.76 175.92 1gqi s ARG 64 N 1.75 0.52 -0.59 0.00 0.52 -0.56 -4.96 118.95 115.64 1gqi s ARG 64 Ca 0.71 -0.83 -0.03 0.00 -0.52 0.00 0.00 55.73 55.06 1gqi s ARG 64 Cb -0.41 -0.15 0.15 0.00 0.52 0.00 0.00 34.95 35.05 1gqi s ARG 64 CO 0.31 0.01 0.40 0.34 0.02 0.00 0.00 175.30 176.38 1gqi s ASP 65 N -1.83 5.23 0.25 0.23 2.15 -1.25 -1.38 116.67 120.07 1gqi s ASP 65 Ca -0.07 -2.72 -0.05 0.00 0.43 0.00 0.00 52.55 50.14 1gqi s ASP 65 Cb -0.07 -1.85 -0.02 0.00 -0.30 0.00 0.00 42.92 40.68 1gqi s ASP 65 CO -0.01 -0.40 0.33 -1.83 -0.17 0.00 0.00 175.17 173.09 1gqi s GLU 66 N 0.14 1.50 0.21 4.34 -1.05 -1.26 -5.06 118.70 117.52 1gqi s GLU 66 Ca 0.15 -1.55 -0.32 0.00 -0.15 0.00 0.00 54.97 53.10 1gqi s GLU 66 Cb -0.21 0.38 -0.13 0.00 -0.44 0.00 0.00 34.13 33.73 1gqi s GLU 66 CO -0.03 -0.58 1.57 1.17 0.95 0.00 0.00 175.26 178.34 1gqi n LYS 67 N -0.39 2.35 -1.68 -4.83 4.81 -1.26 -4.80 118.16 112.35 1gqi n LYS 67 Ca 0.01 0.84 -0.45 0.00 -0.87 0.00 0.00 58.31 57.84 1gqi n LYS 67 Cb 0.63 -2.60 -0.04 0.00 0.02 0.00 0.00 35.03 33.04 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 3.00 3.24 -4.80 3.14 7.94 -1.26 -5.00 117.00 123.26 1gqi n LEU 68 Ca 0.14 1.08 -0.27 0.00 -1.11 0.00 0.00 56.01 55.85 1gqi n LEU 68 Cb 0.32 -1.45 -0.05 0.00 0.53 0.00 0.00 43.42 42.77 1gqi n LEU 68 CO 0.63 -0.22 -0.22 -0.54 -1.11 0.00 0.00 177.39 175.93 1gqi s LYS 69 N 0.87 2.93 0.34 1.96 1.02 -1.26 -5.05 119.74 120.55 1gqi s LYS 69 Ca 0.78 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 55.66 1gqi s LYS 69 Cb -0.65 -2.68 -0.11 0.00 -0.52 0.00 0.00 37.83 33.87 1gqi s LYS 69 CO 0.38 0.50 1.49 0.34 -0.92 0.00 0.00 175.35 177.14 1gqi s ASP 70 N -2.98 6.43 -0.64 2.83 2.15 -1.26 -3.66 116.67 119.54 1gqi s ASP 70 Ca 0.31 2.94 -0.03 0.00 0.43 0.00 0.00 52.55 56.20 1gqi s ASP 70 Cb -0.10 -2.65 -0.03 0.00 -0.30 0.00 0.00 42.92 39.83 1gqi s ASP 70 CO 0.23 -0.83 0.55 -1.22 -0.17 0.00 0.00 175.17 173.74 1gqi n TYR 71 N 1.15 -1.43 -4.29 -5.34 4.01 0.64 -4.78 117.16 107.13 1gqi n TYR 71 Ca 0.03 0.52 -0.27 0.00 -0.16 0.00 0.00 57.90 58.02 1gqi n TYR 71 Cb 0.39 -3.54 -0.10 0.00 -0.31 0.00 0.00 39.34 35.79 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 -3.35 4.21 -0.24 7.72 0.01 -0.98 -0.37 113.70 120.70 1gqi s SER 72 Ca 0.22 -0.57 -0.15 0.00 1.31 0.00 0.00 55.95 56.75 1gqi s SER 72 Cb -0.03 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 1gqi s SER 72 CO 0.44 0.12 0.39 -0.22 0.41 0.00 0.00 173.24 174.37 1gqi s LEU 73 N -2.72 4.10 -0.16 2.44 2.96 0.50 -1.12 118.68 124.68 1gqi s LEU 73 Ca 0.24 0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.56 1gqi s LEU 73 Cb -0.09 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.13 1gqi s LEU 73 CO 0.14 -0.13 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.18 1gqi s VAL 74 N 1.70 2.44 0.10 1.68 1.01 0.00 -0.41 120.40 126.92 1gqi s VAL 74 Ca 0.17 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.40 1gqi s VAL 74 Cb -0.15 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1gqi s VAL 74 CO 0.09 0.52 -0.24 0.27 0.00 0.00 0.00 175.10 175.74 1gqi s ILE 75 N 0.89 1.97 -5.00 2.22 -4.36 -0.85 -1.04 121.20 115.03 1gqi s ILE 75 Ca -0.04 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 58.80 1gqi s ILE 75 Cb -0.15 -1.74 0.00 0.00 1.25 0.00 0.00 42.46 41.82 1gqi s ILE 75 CO -0.02 0.10 0.00 0.61 0.24 0.00 0.00 174.94 175.87 1gqi n GLY 76 N 1.24 -1.55 3.71 6.27 0.00 -0.48 -4.35 105.19 110.02 1gqi n GLY 76 Ca -0.18 -1.50 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.90 3.23 0.56 2.61 -4.23 -1.26 -2.33 115.64 112.31 1gqi s THR 77 Ca 0.00 -1.74 0.25 0.00 -1.18 0.00 0.00 61.69 59.02 1gqi s THR 77 Cb 0.00 -2.97 0.36 0.00 1.34 0.00 0.00 72.50 71.23 1gqi s THR 77 CO 0.00 -0.24 2.07 -0.65 -0.54 0.00 0.00 174.62 175.26 1gqi h PRO 78 N 1.64 0.00 0.00 3.99 0.11 -1.82 -0.33 132.00 135.59 1gqi h PRO 78 Ca -0.44 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 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 -0.58 -0.44 -0.21 0.00 0.00 178.00 177.39 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 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1gqi h ASP 79 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1gqi h ASP 79 CO -0.00 0.58 -0.03 -0.46 -1.72 0.00 0.00 179.24 177.62 1gqi n ASN 80 N -3.46 0.99 -3.68 6.45 0.23 -0.87 -4.92 115.26 109.99 1gqi n ASN 80 Ca 0.00 -1.00 -0.29 0.00 -0.53 0.00 0.00 54.58 52.76 1gqi n ASN 80 Cb 0.68 0.22 -0.15 0.00 -2.08 0.00 0.00 39.78 38.44 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 -0.45 3.80 0.47 0.53 0.15 -0.19 -3.56 113.70 114.44 1gqi s SER 81 Ca 0.03 -1.47 0.22 0.00 0.70 0.00 0.00 55.95 55.43 1gqi s SER 81 Cb 0.02 -0.71 1.23 0.00 -1.71 0.00 0.00 66.02 64.85 1gqi s SER 81 CO 0.05 -0.41 1.89 -0.65 1.20 0.00 0.00 173.24 175.32 1gqi h PRO 82 N 8.18 0.24 -0.19 5.44 0.11 -1.84 -1.28 132.00 142.66 1gqi h PRO 82 Ca -0.15 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 1gqi h PRO 82 Cb 1.02 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1gqi h PRO 82 CO 0.45 0.16 0.09 -0.07 -0.21 0.00 0.00 178.00 178.42 1gqi h LEU 83 N 0.25 0.25 -0.51 2.35 3.38 -1.94 -0.60 115.31 118.48 1gqi h LEU 83 Ca 0.41 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1gqi h LEU 83 Cb 1.24 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1gqi h LEU 83 CO -0.10 0.31 0.19 0.40 0.09 0.00 0.00 178.44 179.33 1gqi h ILE 84 N 0.17 1.22 -0.38 1.22 1.08 -1.65 -2.60 117.51 116.56 1gqi h ILE 84 Ca 0.06 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.84 1gqi h ILE 84 Cb 0.13 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 1gqi h ILE 84 CO -0.01 0.26 0.25 0.00 -0.69 0.00 0.00 178.15 177.96 1gqi h ALA 85 N 1.04 1.72 0.00 1.87 0.00 -1.07 -2.15 119.26 120.67 1gqi h ALA 85 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1gqi h ALA 85 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1gqi h ALA 85 CO -0.01 0.26 0.00 0.66 0.00 0.00 0.00 179.25 180.16 1gqi h SER 86 N 0.52 0.00 0.96 0.00 4.64 -0.70 -1.69 113.55 117.28 1gqi h SER 86 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1gqi h SER 86 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1gqi h SER 86 CO -0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.11 1gqi n LEU 87 N -3.04 0.33 -3.89 5.97 4.77 -0.81 -4.93 117.00 115.40 1gqi n LEU 87 Ca -0.01 0.55 -0.32 0.00 -0.03 0.00 0.00 56.01 56.20 1gqi n LEU 87 Cb 0.19 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.82 1gqi n LEU 87 CO 0.23 -0.20 -0.17 0.59 -1.33 0.00 0.00 177.39 176.51 1gqi n ASN 88 N -1.83 -2.88 0.25 -1.43 5.03 -0.64 -4.83 115.26 108.94 1gqi n ASN 88 Ca 0.05 -1.08 0.13 0.00 0.87 0.00 0.00 54.58 54.55 1gqi n ASN 88 Cb 0.31 -2.86 0.62 0.00 -1.02 0.00 0.00 39.78 36.83 1gqi n ASN 88 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1gqi h LEU 89 N -2.00 0.00 0.00 3.41 3.38 -1.83 -3.47 115.31 114.81 1gqi h LEU 89 Ca -0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.31 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 0.55 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.84 1gqi n GLY 90 N -0.22 2.83 0.37 0.83 0.00 -1.26 -3.04 105.19 104.70 1gqi n GLY 90 Ca -0.01 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.89 1gqi n GLY 90 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1gqi h GLU 91 N 0.00 0.65 -0.82 1.61 4.81 -1.98 -0.89 114.58 117.96 1gqi h GLU 91 Ca 0.00 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1gqi h GLU 91 Cb 0.00 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1gqi h GLU 91 CO 0.00 0.43 0.53 -0.09 -0.73 0.00 0.00 179.01 179.15 1gqi h ARG 92 N 0.67 1.04 0.03 1.92 2.43 -1.95 0.16 114.38 118.68 1gqi h ARG 92 Ca 0.49 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.51 1gqi h ARG 92 Cb 0.87 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1gqi h ARG 92 CO -0.25 0.69 -0.38 1.25 -1.51 0.00 0.00 179.97 179.77 1gqi h LEU 93 N 1.07 0.27 -1.35 3.80 5.85 -1.41 -3.35 115.31 120.19 1gqi h LEU 93 Ca 0.31 -0.86 0.09 0.00 0.84 0.00 0.00 57.88 58.26 1gqi h LEU 93 Cb -0.07 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1gqi h LEU 93 CO -0.09 1.10 0.51 -0.61 -0.34 0.00 0.00 178.44 179.02 1gqi h GLN 94 N -0.52 0.72 0.00 1.25 4.15 -0.83 -1.16 115.11 118.72 1gqi h GLN 94 Ca -0.06 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1gqi h GLN 94 Cb 1.19 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.72 1gqi h GLN 94 CO 0.07 0.48 0.00 0.00 -1.93 0.00 0.00 178.83 177.45 1gqi h ALA 95 N 1.60 1.00 -0.00 3.38 0.00 -1.10 -2.27 119.26 121.86 1gqi h ALA 95 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1gqi h ALA 95 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1gqi h ALA 95 CO -0.13 0.00 -0.03 1.28 0.00 0.00 0.00 179.25 180.37 1gqi n LEU 96 N -2.53 0.17 0.00 0.00 4.77 -0.44 -5.00 117.00 113.97 1gqi n LEU 96 Ca -0.01 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1gqi n LEU 96 Cb 0.09 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1gqi n LEU 96 CO 0.15 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1gqi n GLY 97 N 1.20 -0.77 0.03 -0.72 0.00 -0.86 -2.10 105.19 101.98 1gqi n GLY 97 Ca 0.17 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.18 1gqi n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqi n ALA 98 N 1.24 2.10 -0.40 4.61 0.00 -1.26 -3.69 120.51 123.10 1gqi n ALA 98 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1gqi n ALA 98 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1gqi n ALA 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gqi n GLU 99 N -1.70 0.41 -2.20 0.00 1.02 -1.26 -4.42 120.64 112.49 1gqi n GLU 99 Ca 0.05 -0.18 -0.27 0.00 -0.02 0.00 0.00 57.16 56.75 1gqi n GLU 99 Cb 0.31 -0.62 0.12 0.00 -0.02 0.00 0.00 31.44 31.22 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 -0.11 1.73 0.18 0.62 0.00 -0.89 -4.35 107.32 104.49 1gqi s GLY 100 Ca 0.00 -1.20 -0.22 0.00 0.00 0.00 0.00 44.72 43.30 1gqi s GLY 100 CO 0.00 -0.63 0.59 -2.52 0.00 0.00 0.00 173.10 170.54 1gqi s TYR 101 N -3.45 -0.44 -0.09 1.90 -0.85 -0.32 -4.23 117.35 109.88 1gqi s TYR 101 Ca 0.66 0.18 0.04 0.00 -0.52 0.00 0.00 57.07 57.43 1gqi s TYR 101 Cb -0.07 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.81 1gqi s TYR 101 CO 0.47 -0.89 -0.21 -1.17 -1.52 0.00 0.00 175.55 172.23 1gqi s LEU 102 N -2.78 1.97 -0.20 -3.49 2.96 0.45 -1.48 118.68 116.11 1gqi s LEU 102 Ca 0.03 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.43 1gqi s LEU 102 Cb -0.01 -1.24 -0.01 0.00 0.50 0.00 0.00 46.19 45.43 1gqi s LEU 102 CO -0.10 0.13 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.24 1gqi s LEU 103 N 0.37 2.80 -0.20 -0.68 1.43 0.11 -1.10 118.68 121.41 1gqi s LEU 103 Ca -0.16 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 1gqi s LEU 103 Cb -0.17 -1.69 0.06 0.00 0.03 0.00 0.00 46.19 44.42 1gqi s LEU 103 CO 0.07 0.02 0.49 -0.70 0.23 0.00 0.00 176.35 176.45 1gqi s GLU 104 N 1.26 0.49 -0.04 1.70 2.12 -0.79 -0.92 118.70 122.51 1gqi s GLU 104 Ca 0.03 0.90 -0.30 0.00 0.36 0.00 0.00 54.97 55.97 1gqi s GLU 104 Cb -0.14 0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.25 1gqi s GLU 104 CO -0.03 -0.15 1.15 -1.14 -0.54 0.00 0.00 175.26 174.55 1gqi s GLN 105 N 1.42 4.39 0.00 4.30 0.74 -0.00 -0.39 119.66 130.13 1gqi s GLN 105 Ca -0.09 1.62 0.00 0.00 0.05 0.00 0.00 55.36 56.93 1gqi s GLN 105 Cb -0.07 -3.51 0.00 0.00 1.10 0.00 0.00 33.01 30.52 1gqi s GLN 105 CO -0.14 -0.36 0.00 -2.37 -0.55 0.00 0.00 175.29 171.87 1gqi n THR 106 N 4.44 0.00 -4.31 -0.34 5.66 -0.21 -4.81 114.28 114.70 1gqi n THR 106 Ca 0.10 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.92 1gqi n THR 106 Cb 0.47 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.11 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 0.06 0.77 -0.09 1.09 1.81 -1.26 -1.84 118.95 119.50 1gqi s ARG 107 Ca 0.00 -0.55 -0.01 0.00 -1.72 0.00 0.00 55.73 53.45 1gqi s ARG 107 Cb 0.00 -0.72 0.03 0.00 -0.45 0.00 0.00 34.95 33.81 1gqi s ARG 107 CO 0.00 0.18 -0.01 0.42 -0.68 0.00 0.00 175.30 175.21 1gqi s ILE 108 N -0.63 0.50 -1.49 1.52 1.01 -0.58 -4.82 121.20 116.72 1gqi s ILE 108 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 60.65 60.57 1gqi s ILE 108 Cb -0.06 -0.66 0.06 0.00 0.01 0.00 0.00 42.46 41.81 1gqi s ILE 108 CO 0.00 0.25 0.77 0.59 0.00 0.00 0.00 174.94 176.56 1gqi n ASN 109 N 5.10 -2.82 0.00 3.58 3.02 -1.26 -1.02 115.26 121.86 1gqi n ASN 109 Ca -0.08 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1gqi n ASN 109 Cb 0.50 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.09 1gqi n ASN 109 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1gqi n LYS 110 N -4.48 0.00 -2.95 3.52 4.76 -1.26 -4.99 118.16 112.76 1gqi n LYS 110 Ca -0.10 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.94 1gqi n LYS 110 Cb 0.59 -3.15 -0.06 0.00 -1.84 0.00 0.00 35.03 30.57 1gqi n LYS 110 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1gqi s ARG 111 N -0.31 4.61 -0.02 1.97 3.00 -0.19 -5.03 118.95 122.98 1gqi s ARG 111 Ca 0.00 1.20 -0.30 0.00 0.00 0.00 0.00 55.73 56.63 1gqi s ARG 111 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 34.95 31.65 1gqi s ARG 111 CO 0.00 0.56 1.15 -1.01 0.00 0.00 0.00 175.30 176.00 1gqi s HIS 112 N -1.16 3.35 0.11 -0.53 3.76 -1.26 -1.53 115.29 118.04 1gqi s HIS 112 Ca 0.36 1.34 -0.03 0.00 -0.15 0.00 0.00 55.06 56.59 1gqi s HIS 112 Cb -0.24 -3.36 -0.03 0.00 1.11 0.00 0.00 32.58 30.07 1gqi s HIS 112 CO 0.27 -1.01 0.07 0.14 -0.85 0.00 0.00 174.74 173.36 1gqi s VAL 113 N 1.74 0.13 -0.11 -0.90 -7.23 -0.76 -0.26 120.40 113.01 1gqi s VAL 113 Ca 0.55 -1.76 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 1gqi s VAL 113 Cb -0.25 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 34.88 1gqi s VAL 113 CO 0.24 -0.60 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.56 1gqi s VAL 114 N -3.99 1.70 0.02 1.32 1.01 -0.28 -1.05 120.40 119.14 1gqi s VAL 114 Ca 0.17 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 1gqi s VAL 114 Cb 0.07 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1gqi s VAL 114 CO -0.03 0.48 0.13 0.27 0.00 0.00 0.00 175.10 175.95 1gqi s ILE 115 N 0.75 5.00 -0.36 2.22 -4.36 0.48 -0.82 121.20 124.10 1gqi s ILE 115 Ca -0.11 -0.40 0.01 0.00 -0.26 0.00 0.00 60.65 59.89 1gqi s ILE 115 Cb -0.16 -3.35 0.10 0.00 1.25 0.00 0.00 42.46 40.30 1gqi s ILE 115 CO 0.02 0.27 0.09 -0.69 0.24 0.00 0.00 174.94 174.87 1gqi s VAL 116 N -1.32 2.65 0.02 8.37 1.01 -0.21 -1.89 120.40 129.03 1gqi s VAL 116 Ca 0.27 -2.17 0.06 0.00 0.00 0.00 0.00 61.98 60.14 1gqi s VAL 116 Cb -0.12 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1gqi s VAL 116 CO 0.19 -0.58 -0.16 0.00 0.00 0.00 0.00 175.10 174.55 1gqi s ALA 117 N 1.01 2.66 0.32 5.51 0.00 -0.25 -1.39 121.76 129.61 1gqi s ALA 117 Ca 0.08 -1.12 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 1gqi s ALA 117 Cb -0.20 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.10 1gqi s ALA 117 CO -0.06 0.57 0.59 0.00 0.00 0.00 0.00 175.76 176.86 1gqi s ALA 118 N -0.89 -0.17 -0.02 0.00 0.00 -0.99 -0.41 121.76 119.29 1gqi s ALA 118 Ca 0.14 -0.98 0.09 0.00 0.00 0.00 0.00 51.96 51.21 1gqi s ALA 118 Cb -0.11 0.96 -0.23 0.00 0.00 0.00 0.00 23.12 23.74 1gqi s ALA 118 CO 0.05 -0.89 0.74 -0.91 0.00 0.00 0.00 175.76 174.75 1gqi h ASN 119 N 2.11 0.07 -2.71 0.00 2.35 -1.77 -3.36 115.58 112.27 1gqi h ASN 119 Ca -0.28 -0.13 -0.52 0.00 -0.55 0.00 0.00 56.30 54.82 1gqi h ASN 119 Cb 1.25 -0.02 -0.14 0.00 0.05 0.00 0.00 38.32 39.45 1gqi h ASN 119 CO 0.36 1.12 -0.70 -0.94 -1.65 0.00 0.00 177.43 175.62 1gqi s SER 120 N -6.34 3.02 0.24 5.81 1.04 -1.26 -4.85 113.70 111.35 1gqi s SER 120 Ca -0.06 -1.12 -0.06 0.00 0.48 0.00 0.00 55.95 55.18 1gqi s SER 120 Cb 0.08 -0.21 0.23 0.00 0.10 0.00 0.00 66.02 66.21 1gqi s SER 120 CO 0.82 -0.21 1.86 0.44 0.98 0.00 0.00 173.24 177.13 1gqi h ASP 121 N 2.30 1.11 -0.06 7.02 3.32 -1.92 -2.09 116.42 126.11 1gqi h ASP 121 Ca -0.40 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.48 1gqi h ASP 121 Cb 1.24 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1gqi h ASP 121 CO 0.65 0.90 -0.16 -0.37 -1.72 0.00 0.00 179.24 178.54 1gqi h VAL 122 N 1.25 1.23 -0.78 -1.35 -1.51 -1.93 -1.20 116.25 111.95 1gqi h VAL 122 Ca 0.31 -1.02 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 1gqi h VAL 122 Cb 0.04 1.22 -0.04 0.00 -2.13 0.00 0.00 31.29 30.38 1gqi h VAL 122 CO -0.05 0.33 0.40 1.23 -1.23 0.00 0.00 177.57 178.24 1gqi h GLY 123 N 0.91 1.17 1.01 5.19 0.00 -1.60 0.48 103.07 110.24 1gqi h GLY 123 Ca 0.07 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 46.86 1gqi h GLY 123 CO 0.03 0.52 0.48 -2.08 0.00 0.00 0.00 176.54 175.50 1gqi h VAL 124 N 1.09 1.19 0.02 4.60 2.07 -0.66 -0.09 116.25 124.47 1gqi h VAL 124 Ca 0.27 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1gqi h VAL 124 Cb 0.07 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1gqi h VAL 124 CO -0.04 0.18 -0.01 0.25 0.02 0.00 0.00 177.57 177.98 1gqi h LEU 125 N 0.99 -0.02 -0.64 2.57 5.85 -0.51 0.66 115.31 124.21 1gqi h LEU 125 Ca 0.27 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1gqi h LEU 125 Cb -0.11 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1gqi h LEU 125 CO -0.06 0.02 0.41 1.88 -0.34 0.00 0.00 178.44 180.35 1gqi h TYR 126 N -0.05 0.78 -0.57 1.25 0.05 -0.73 -1.84 116.97 115.85 1gqi h TYR 126 Ca -0.00 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.75 1gqi h TYR 126 Cb 0.05 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.50 1gqi h TYR 126 CO -0.07 0.47 0.16 0.78 -1.05 0.00 0.00 178.16 178.45 1gqi h GLY 127 N 0.83 0.93 0.96 3.88 0.00 -0.77 -1.43 103.07 107.46 1gqi h GLY 127 Ca 0.25 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1gqi h GLY 127 CO -0.08 0.50 0.19 1.76 0.00 0.00 0.00 176.54 178.91 1gqi h SER 128 N 0.84 0.55 -0.74 0.19 0.02 -0.40 1.00 113.55 115.01 1gqi h SER 128 Ca 0.19 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1gqi h SER 128 Cb 0.28 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1gqi h SER 128 CO -0.00 0.53 0.36 -0.26 -1.14 0.00 0.00 176.83 176.31 1gqi h PHE 129 N 0.53 1.07 -0.51 3.45 0.04 -1.08 -1.24 116.94 119.19 1gqi h PHE 129 Ca 0.14 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.79 1gqi h PHE 129 Cb 0.13 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 1gqi h PHE 129 CO -0.01 0.78 0.03 1.25 -0.60 0.00 0.00 178.31 179.76 1gqi h HIS 130 N 1.07 0.94 -0.48 -0.55 2.76 -0.73 -0.03 115.15 118.12 1gqi h HIS 130 Ca 0.26 -0.15 0.03 0.00 -2.20 0.00 0.00 60.37 58.31 1gqi h HIS 130 Cb 0.11 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 28.78 1gqi h HIS 130 CO 0.01 0.87 0.27 1.25 -1.30 0.00 0.00 177.93 179.03 1gqi h LEU 131 N 0.74 0.42 -0.56 0.26 7.12 -0.51 0.03 115.31 122.81 1gqi h LEU 131 Ca 0.15 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.17 1gqi h LEU 131 Cb 0.47 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.50 1gqi h LEU 131 CO 0.02 0.29 0.35 -0.07 -0.13 0.00 0.00 178.44 178.90 1gqi h LEU 132 N 0.53 0.67 -1.32 2.25 3.38 -1.01 -2.02 115.31 117.79 1gqi h LEU 132 Ca 0.20 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.22 1gqi h LEU 132 Cb 0.06 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 1gqi h LEU 132 CO -0.11 0.52 0.53 -0.09 0.09 0.00 0.00 178.44 179.38 1gqi h ARG 133 N 0.76 0.74 -0.66 1.13 2.43 -0.16 0.15 114.38 118.76 1gqi h ARG 133 Ca 0.20 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1gqi h ARG 133 Cb -0.03 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 1gqi h ARG 133 CO -0.04 0.49 0.31 -0.07 -1.51 0.00 0.00 179.97 179.15 1gqi h LEU 134 N 0.76 0.87 -0.16 3.80 3.38 -0.28 -0.77 115.31 122.91 1gqi h LEU 134 Ca 0.37 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1gqi h LEU 134 Cb 0.44 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1gqi h LEU 134 CO -0.15 0.76 -0.05 0.40 0.09 0.00 0.00 178.44 179.50 1gqi h ILE 135 N 0.92 1.30 -0.32 1.22 2.04 -0.98 0.77 117.51 122.46 1gqi h ILE 135 Ca 0.23 -1.05 0.05 0.00 1.00 0.00 0.00 64.86 65.09 1gqi h ILE 135 Cb 0.13 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1gqi h ILE 135 CO -0.03 0.31 0.22 1.56 0.00 0.00 0.00 178.15 180.21 1gqi h GLN 136 N 0.00 0.19 -0.72 2.37 4.20 -0.51 -1.44 115.11 119.20 1gqi h GLN 136 Ca 0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1gqi h GLN 136 Cb 0.50 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1gqi h GLN 136 CO 0.02 0.12 0.00 0.25 -0.67 0.00 0.00 178.83 178.55 1gqi n THR 137 N -4.48 1.06 -3.47 -0.54 -2.24 -0.31 -4.50 114.28 99.80 1gqi n THR 137 Ca 0.04 -0.99 -0.21 0.00 -2.27 0.00 0.00 64.05 60.62 1gqi n THR 137 Cb 0.25 0.44 0.07 0.00 -2.10 0.00 0.00 70.33 68.99 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 1.56 -7.09 -3.43 -0.78 6.02 -0.54 -5.00 117.38 108.12 1gqi n GLN 138 Ca 0.24 0.74 -0.36 0.00 -0.01 0.00 0.00 57.00 57.61 1gqi n GLN 138 Cb 0.64 -5.51 -0.06 0.00 1.02 0.00 0.00 30.24 26.33 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 -3.28 3.66 0.37 1.08 3.76 0.21 -5.04 115.29 116.05 1gqi s HIS 139 Ca 0.52 1.02 -0.26 0.00 -0.15 0.00 0.00 55.06 56.19 1gqi s HIS 139 Cb -0.23 -2.32 -0.09 0.00 1.11 0.00 0.00 32.58 31.05 1gqi s HIS 139 CO 0.65 0.52 1.09 0.00 -0.85 0.00 0.00 174.74 176.14 1gqi s ALA 140 N -1.31 3.17 -0.54 -1.40 0.00 -1.26 -4.58 121.76 115.84 1gqi s ALA 140 Ca 0.32 0.80 0.23 0.00 0.00 0.00 0.00 51.96 53.31 1gqi s ALA 140 Cb -0.16 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.66 1gqi s ALA 140 CO 0.18 -0.27 0.98 1.28 0.00 0.00 0.00 175.76 177.93 1gqi n LEU 141 N 0.25 0.59 -4.72 0.00 4.77 -1.26 -4.77 117.00 111.87 1gqi n LEU 141 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 1gqi n LEU 141 Cb 0.48 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1gqi n LEU 141 CO 0.48 0.02 1.24 -0.70 -1.33 0.00 0.00 177.39 177.11 1gqi s GLU 142 N -3.23 4.20 -1.16 3.23 2.56 -1.26 -1.37 118.70 121.67 1gqi s GLU 142 Ca 0.02 2.40 0.00 0.00 0.00 0.00 0.00 54.97 57.39 1gqi s GLU 142 Cb 0.14 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 33.13 1gqi s GLU 142 CO 0.81 -0.62 0.00 1.63 -0.56 0.00 0.00 175.26 176.52 1gqi n LYS 143 N 3.85 -1.04 -1.69 4.30 4.76 -1.26 -4.95 118.16 122.12 1gqi n LYS 143 Ca 0.14 0.85 -0.44 0.00 -2.87 0.00 0.00 58.31 55.99 1gqi n LYS 143 Cb 0.38 -4.92 -0.03 0.00 -1.84 0.00 0.00 35.03 28.62 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 -1.25 3.55 -3.23 -0.35 7.94 -0.47 -4.85 117.00 118.35 1gqi n LEU 144 Ca -0.11 1.08 -0.02 0.00 -1.11 0.00 0.00 56.01 55.85 1gqi n LEU 144 Cb 0.43 -1.50 -0.03 0.00 0.53 0.00 0.00 43.42 42.86 1gqi n LEU 144 CO 0.17 -0.08 0.03 -0.55 -1.11 0.00 0.00 177.39 175.84 1gqi s SER 145 N 0.94 -0.78 -0.05 1.96 0.15 -1.24 -0.82 113.70 113.85 1gqi s SER 145 Ca 0.75 -0.35 -0.05 0.00 0.70 0.00 0.00 55.95 57.01 1gqi s SER 145 Cb -0.59 1.62 0.02 0.00 -1.71 0.00 0.00 66.02 65.35 1gqi s SER 145 CO 0.37 -0.28 0.14 -1.48 1.20 0.00 0.00 173.24 173.19 1gqi s LEU 146 N 2.41 1.37 0.16 3.45 0.05 -0.10 -5.01 118.68 121.01 1gqi s LEU 146 Ca 0.12 0.29 0.08 0.00 0.05 0.00 0.00 54.13 54.67 1gqi s LEU 146 Cb -0.10 0.47 -0.04 0.00 -2.05 0.00 0.00 46.19 44.47 1gqi s LEU 146 CO -0.21 -0.06 -0.18 -0.94 -0.55 0.00 0.00 176.35 174.41 1gqi s SER 147 N 0.20 2.60 -0.00 1.48 1.04 -1.26 -0.71 113.70 117.05 1gqi s SER 147 Ca -0.01 -0.86 -0.21 0.00 0.48 0.00 0.00 55.95 55.36 1gqi s SER 147 Cb -0.02 -0.15 0.04 0.00 0.10 0.00 0.00 66.02 65.99 1gqi s SER 147 CO -0.01 -0.05 0.46 -0.55 0.98 0.00 0.00 173.24 174.07 1gqi s SER 148 N -2.64 -0.36 -0.02 7.02 0.15 -0.55 -5.01 113.70 112.30 1gqi s SER 148 Ca 0.15 0.24 -0.07 0.00 0.70 0.00 0.00 55.95 56.97 1gqi s SER 148 Cb -0.06 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 1gqi s SER 148 CO 0.06 -0.58 0.15 0.00 1.20 0.00 0.00 173.24 174.08 1gqi s ALA 149 N -1.71 -0.37 0.49 5.45 0.00 -1.26 -1.17 121.76 123.19 1gqi s ALA 149 Ca -0.10 0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.71 1gqi s ALA 149 Cb -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 23.12 23.02 1gqi s ALA 149 CO 0.03 -0.17 1.12 -1.25 0.00 0.00 0.00 175.76 175.50 1gqi s PRO 150 N -0.94 3.63 0.00 0.00 0.04 -1.26 -4.91 135.00 131.56 1gqi s PRO 150 Ca -0.10 1.63 0.23 0.00 0.04 0.00 0.00 61.00 62.80 1gqi s PRO 150 Cb -0.06 -2.21 0.21 0.00 0.04 0.00 0.00 34.50 32.49 1gqi s PRO 150 CO 0.01 -0.62 1.21 0.54 0.04 0.00 0.00 177.00 178.18 1gqi n ARG 151 N -0.85 0.37 -4.43 4.56 1.74 0.17 -4.88 116.66 113.33 1gqi n ARG 151 Ca 0.09 -0.27 -0.21 0.00 -0.77 0.00 0.00 57.85 56.69 1gqi n ARG 151 Cb 0.50 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.31 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 -2.82 2.14 -0.06 0.55 1.43 -1.25 -4.66 118.68 114.02 1gqi s LEU 152 Ca 0.14 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 52.58 1gqi s LEU 152 Cb 0.17 -0.66 -0.28 0.00 0.03 0.00 0.00 46.19 45.45 1gqi s LEU 152 CO 0.70 0.07 0.91 1.56 0.23 0.00 0.00 176.35 179.83 1gqi h GLN 153 N 5.08 0.23 -4.64 1.70 4.20 -1.86 -3.43 115.11 116.40 1gqi h GLN 153 Ca -0.38 -0.35 -0.70 0.00 0.06 0.00 0.00 58.65 57.28 1gqi h GLN 153 Cb 1.17 0.12 -0.28 0.00 0.30 0.00 0.00 27.48 28.80 1gqi h GLN 153 CO 0.45 1.13 -0.58 -1.01 -0.67 0.00 0.00 178.83 178.15 1gqi s HIS 154 N -2.58 3.26 -0.45 2.96 3.76 -0.11 -4.98 115.29 117.15 1gqi s HIS 154 Ca -0.15 -1.35 0.03 0.00 -0.15 0.00 0.00 55.06 53.44 1gqi s HIS 154 Cb 0.00 -2.37 0.12 0.00 1.11 0.00 0.00 32.58 31.45 1gqi s HIS 154 CO 0.79 -0.73 0.19 1.03 -0.85 0.00 0.00 174.74 175.17 1gqi s ARG 155 N 1.43 1.83 0.12 1.40 0.52 -1.26 -1.09 118.95 121.89 1gqi s ARG 155 Ca -0.01 -2.30 0.09 0.00 -0.52 0.00 0.00 55.73 53.00 1gqi s ARG 155 Cb -0.20 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 1gqi s ARG 155 CO 0.03 -1.05 -0.21 0.54 0.02 0.00 0.00 175.30 174.63 1gqi s VAL 156 N 0.25 1.82 0.12 3.52 0.11 -0.44 -0.87 120.40 124.90 1gqi s VAL 156 Ca 0.14 -1.65 0.05 0.00 -2.93 0.00 0.00 61.98 57.59 1gqi s VAL 156 Cb -0.23 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 32.90 1gqi s VAL 156 CO -0.04 -0.08 0.06 0.68 -3.33 0.00 0.00 175.10 172.39 1gqi s VAL 157 N -1.30 4.25 -0.03 2.04 -7.23 -0.68 -1.21 120.40 116.23 1gqi s VAL 157 Ca 0.09 -1.00 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 1gqi s VAL 157 Cb -0.09 -3.08 -0.01 0.00 0.56 0.00 0.00 36.38 33.75 1gqi s VAL 157 CO 0.05 0.04 -0.23 0.20 -0.31 0.00 0.00 175.10 174.85 1gqi s ASN 158 N -2.61 2.72 -0.18 4.85 0.01 0.18 -1.03 114.94 118.89 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 -0.11 -0.49 0.02 0.00 0.41 0.00 0.00 41.25 41.08 1gqi s ASN 158 CO 0.21 0.25 -0.19 -1.00 -1.51 0.00 0.00 177.10 174.86 1gqi s HIS 159 N -0.36 2.78 -1.18 2.20 3.76 -0.14 -1.93 115.29 120.42 1gqi s HIS 159 Ca 0.04 -1.53 -0.06 0.00 -0.15 0.00 0.00 55.06 53.36 1gqi s HIS 159 Cb -0.11 -1.92 0.08 0.00 1.11 0.00 0.00 32.58 31.74 1gqi s HIS 159 CO 0.01 -0.75 2.55 0.91 -0.85 0.00 0.00 174.74 176.60 1gqi n TRP 160 N 4.53 2.35 -3.51 1.40 8.01 -1.26 -3.06 117.44 125.91 1gqi n TRP 160 Ca -0.21 -2.68 -0.37 0.00 -1.31 0.00 0.00 57.50 52.94 1gqi n TRP 160 Cb 0.50 -1.83 -0.07 0.00 -2.01 0.00 0.00 31.31 27.91 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 0.61 6.46 0.46 -0.99 1.11 -1.26 -1.20 116.67 121.86 1gqi s ASP 161 Ca 0.57 0.54 -0.09 0.00 0.18 0.00 0.00 52.55 53.75 1gqi s ASP 161 Cb 0.22 -2.19 -0.05 0.00 1.07 0.00 0.00 42.92 41.96 1gqi s ASP 161 CO -0.11 0.08 0.81 0.20 1.18 0.00 0.00 175.17 177.34 1gqi s ASN 162 N 0.51 6.40 0.50 0.27 0.01 -0.20 -1.22 114.94 121.21 1gqi s ASN 162 Ca 0.18 1.11 0.29 0.00 -0.71 0.00 0.00 52.86 53.72 1gqi s ASN 162 Cb -0.13 -2.32 1.15 0.00 0.41 0.00 0.00 41.25 40.36 1gqi s ASN 162 CO 0.05 -0.53 1.91 -0.07 -1.51 0.00 0.00 177.10 176.95 1gqi h LEU 163 N 0.68 0.00 0.00 0.60 3.38 -1.98 -0.42 115.31 117.57 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 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1gqi h LEU 163 CO 0.63 0.11 0.00 -0.46 0.09 0.00 0.00 178.44 178.81 1gqi n ASN 164 N -3.26 0.00 0.00 -0.43 6.94 -1.26 -4.87 115.26 112.39 1gqi n ASN 164 Ca 0.00 0.22 0.00 0.00 -0.02 0.00 0.00 54.58 54.78 1gqi n ASN 164 Cb 0.36 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 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 -1.35 0.00 -2.92 -3.83 1.74 -0.17 -5.00 116.66 105.13 1gqi n ARG 165 Ca 0.05 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.73 1gqi n ARG 165 Cb 0.12 -1.88 -0.05 0.00 -1.02 0.00 0.00 32.46 29.62 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 -2.95 4.47 -0.22 1.55 1.01 -1.26 0.28 120.40 123.28 1gqi s VAL 166 Ca 0.00 1.78 -0.09 0.00 0.00 0.00 0.00 61.98 63.67 1gqi s VAL 166 Cb 0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1gqi s VAL 166 CO 0.00 0.44 0.10 -0.69 0.00 0.00 0.00 175.10 174.95 1gqi s VAL 167 N -0.63 4.91 -0.13 2.92 1.01 -1.26 -1.04 120.40 126.18 1gqi s VAL 167 Ca 0.39 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 1gqi s VAL 167 Cb -0.23 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1gqi s VAL 167 CO 0.26 0.39 1.23 -0.70 0.00 0.00 0.00 175.10 176.29 1gqi s GLU 168 N 0.88 4.28 -1.23 2.72 2.12 -0.34 -2.37 118.70 124.76 1gqi s GLU 168 Ca 0.05 1.65 -0.00 0.00 0.36 0.00 0.00 54.97 57.04 1gqi s GLU 168 Cb -0.13 -3.69 -0.00 0.00 0.26 0.00 0.00 34.13 30.57 1gqi s GLU 168 CO 0.03 -0.61 0.91 0.54 -0.54 0.00 0.00 175.26 175.58 1gqi n ARG 169 N 6.10 -6.06 -4.07 4.30 5.12 -1.26 -4.66 116.66 116.12 1gqi n ARG 169 Ca 0.13 0.78 -0.32 0.00 -1.93 0.00 0.00 57.85 56.51 1gqi n ARG 169 Cb 0.45 -5.66 -0.15 0.00 -1.16 0.00 0.00 32.46 25.94 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 -4.35 1.52 -0.13 -0.13 0.00 -1.00 -4.82 107.32 98.42 1gqi s GLY 170 Ca 0.01 -1.53 0.16 0.00 0.00 0.00 0.00 44.72 43.36 1gqi s GLY 170 CO 0.75 0.53 1.23 -1.72 0.00 0.00 0.00 173.10 173.90 1gqi n TYR 171 N 4.52 0.34 -1.82 1.90 4.01 -1.26 -4.55 117.16 120.30 1gqi n TYR 171 Ca -0.16 -0.88 0.04 0.00 -0.16 0.00 0.00 57.90 56.74 1gqi n TYR 171 Cb 0.45 -0.19 0.07 0.00 -0.31 0.00 0.00 39.34 39.36 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 -0.92 2.36 0.00 -0.72 0.00 -1.26 -4.49 120.51 115.47 1gqi n ALA 172 Ca 0.16 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.61 1gqi n ALA 172 Cb 0.67 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.40 -1.22 3.79 0.00 0.00 -1.26 -1.52 105.19 104.57 1gqi n GLY 173 Ca 0.08 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 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 2.73 0.30 0.99 1.43 -1.26 -4.48 118.68 118.39 1gqi s LEU 174 Ca 0.00 1.49 -0.29 0.00 -1.03 0.00 0.00 54.13 54.30 1gqi s LEU 174 Cb 0.00 -4.15 -0.13 0.00 0.03 0.00 0.00 46.19 41.95 1gqi s LEU 174 CO 0.00 -1.97 1.28 -0.24 0.23 0.00 0.00 176.35 175.64 1gqi n SER 175 N -3.45 2.51 0.29 2.29 2.88 0.14 -0.90 113.62 117.38 1gqi n SER 175 Ca 0.07 1.19 0.15 0.00 -1.33 0.00 0.00 58.87 58.95 1gqi n SER 175 Cb 0.55 -1.44 0.89 0.00 -0.75 0.00 0.00 64.21 63.46 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 2.91 0.00 -8.75 2.46 3.38 -1.89 -3.43 115.31 109.99 1gqi h LEU 176 Ca -0.45 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 56.92 1gqi h LEU 176 Cb 1.29 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.93 1gqi h LEU 176 CO 0.66 0.03 0.50 0.26 0.09 0.00 0.00 178.44 179.98 1gqi s TRP 177 N -4.51 3.03 -1.17 1.13 0.23 -1.26 -4.95 118.94 111.44 1gqi s TRP 177 Ca -0.04 0.52 -0.13 0.00 -2.03 0.00 0.00 56.10 54.42 1gqi s TRP 177 Cb 0.15 -3.68 0.20 0.00 0.03 0.00 0.00 33.47 30.17 1gqi s TRP 177 CO 0.55 -0.90 1.32 0.34 0.96 0.00 0.00 176.95 179.22 1gqi s ASP 178 N 2.02 7.13 0.40 2.95 2.15 -1.26 -4.85 116.67 125.21 1gqi s ASP 178 Ca 0.35 -3.15 0.10 0.00 0.43 0.00 0.00 52.55 50.28 1gqi s ASP 178 Cb -0.12 -2.34 0.90 0.00 -0.30 0.00 0.00 42.92 41.06 1gqi s ASP 178 CO 0.21 -0.62 1.98 -0.50 -0.17 0.00 0.00 175.17 176.07 1gqi h TRP 179 N 7.06 0.58 0.00 -5.34 4.06 -1.92 -1.22 115.95 119.16 1gqi h TRP 179 Ca 0.27 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.21 1gqi h TRP 179 Cb 0.88 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 28.85 1gqi h TRP 179 CO 1.00 0.30 -0.10 0.78 -3.56 0.00 0.00 178.44 176.86 1gqi h GLY 180 N 0.56 0.00 -1.02 1.49 0.00 -1.96 -2.84 103.07 99.30 1gqi h GLY 180 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1gqi h GLY 180 CO -0.08 0.00 -0.13 -1.14 0.00 0.00 0.00 176.54 175.19 1gqi n SER 181 N -3.48 2.00 -4.85 0.19 3.41 -0.51 -4.98 113.62 105.41 1gqi n SER 181 Ca -0.01 -1.50 -0.32 0.00 -0.26 0.00 0.00 58.87 56.77 1gqi n SER 181 Cb 0.24 0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.57 4.08 0.00 1.04 1.43 -0.93 -0.42 118.68 122.30 1gqi s LEU 182 Ca 0.16 1.22 0.30 0.00 -1.03 0.00 0.00 54.13 54.78 1gqi s LEU 182 Cb 0.13 -4.01 1.40 0.00 0.03 0.00 0.00 46.19 43.73 1gqi s LEU 182 CO 0.27 -0.18 1.97 -0.81 0.23 0.00 0.00 176.35 177.82 1gqi n PRO 183 N -0.32 0.59 -0.23 1.29 -0.04 -1.26 -4.82 135.00 130.21 1gqi n PRO 183 Ca 0.03 -0.11 -0.05 0.00 -0.04 0.00 0.00 63.50 63.33 1gqi n PRO 183 Cb 0.53 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.28 0.73 -3.38 3.54 4.21 -1.85 -3.40 115.58 115.72 1gqi h ASN 184 Ca 0.00 -0.01 -0.71 0.00 1.21 0.00 0.00 56.30 56.79 1gqi h ASN 184 Cb 0.30 -0.17 -0.20 0.00 -1.12 0.00 0.00 38.32 37.13 1gqi h ASN 184 CO 0.00 0.52 -0.22 -0.47 -1.29 0.00 0.00 177.43 175.98 1gqi s TYR 185 N -6.14 3.18 -1.12 1.19 5.04 0.43 -4.99 117.35 114.94 1gqi s TYR 185 Ca -0.13 -0.63 -0.15 0.00 -2.44 0.00 0.00 57.07 53.72 1gqi s TYR 185 Cb 0.14 -3.11 0.16 0.00 0.35 0.00 0.00 41.96 39.51 1gqi s TYR 185 CO 0.76 -0.80 1.32 -0.51 -1.34 0.00 0.00 175.55 174.98 1gqi s LEU 186 N 2.03 5.13 0.31 6.97 1.43 -1.26 -4.68 118.68 128.61 1gqi s LEU 186 Ca 0.09 -2.74 -0.29 0.00 -1.03 0.00 0.00 54.13 50.16 1gqi s LEU 186 Cb -0.20 -2.39 -0.11 0.00 0.03 0.00 0.00 46.19 43.52 1gqi s LEU 186 CO 0.10 -0.82 1.46 0.00 0.23 0.00 0.00 176.35 177.33 1gqi s ALA 187 N 1.76 3.61 0.46 4.21 0.00 -1.26 -4.89 121.76 125.66 1gqi s ALA 187 Ca 0.39 1.44 0.21 0.00 0.00 0.00 0.00 51.96 54.00 1gqi s ALA 187 Cb -0.04 -3.58 1.19 0.00 0.00 0.00 0.00 23.12 20.70 1gqi s ALA 187 CO -0.03 -0.87 1.91 -1.35 0.00 0.00 0.00 175.76 175.42 1gqi h PRO 188 N 4.07 0.26 0.00 0.00 0.11 -2.01 -1.63 132.00 132.80 1gqi h PRO 188 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1gqi h PRO 188 Cb 1.23 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1gqi h PRO 188 CO 0.72 0.17 -0.04 -0.09 -0.21 0.00 0.00 178.00 178.55 1gqi h ARG 189 N 0.27 0.00 -0.60 1.05 2.43 -1.99 -1.25 114.38 114.29 1gqi h ARG 189 Ca 0.38 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.49 1gqi h ARG 189 Cb 1.10 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 1gqi h ARG 189 CO -0.09 0.04 0.12 1.88 -1.51 0.00 0.00 179.97 180.40 1gqi h TYR 190 N 0.00 0.99 -0.34 2.20 0.05 -1.66 0.03 116.97 118.24 1gqi h TYR 190 Ca -0.00 -0.11 -0.17 0.00 0.05 0.00 0.00 58.73 58.49 1gqi h TYR 190 Cb 0.08 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.53 1gqi h TYR 190 CO 0.00 0.84 -0.47 1.15 -1.05 0.00 0.00 178.16 178.63 1gqi h THR 191 N 0.90 1.27 -0.63 -2.88 2.02 -1.37 -2.31 112.91 109.91 1gqi h THR 191 Ca 0.19 -1.65 -0.05 0.00 0.77 0.00 0.00 66.41 65.67 1gqi h THR 191 Cb 0.36 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1gqi h THR 191 CO 0.00 0.54 0.19 0.44 0.37 0.00 0.00 175.52 177.07 1gqi h ASP 192 N 0.72 0.89 -0.62 4.18 3.32 -1.04 0.06 116.42 123.94 1gqi h ASP 192 Ca 0.04 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 56.96 1gqi h ASP 192 Cb 1.07 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 1gqi h ASP 192 CO 0.11 0.84 0.37 0.22 -1.72 0.00 0.00 179.24 179.06 1gqi h TYR 193 N 0.93 0.69 -0.57 4.55 3.20 -0.93 -0.92 116.97 123.92 1gqi h TYR 193 Ca 0.21 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1gqi h TYR 193 Cb 0.28 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1gqi h TYR 193 CO 0.02 0.39 0.22 0.00 -1.64 0.00 0.00 178.16 177.15 1gqi h ALA 194 N 1.28 0.74 -0.51 1.82 0.00 -0.81 -2.13 119.26 119.64 1gqi h ALA 194 Ca 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gqi h ALA 194 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1gqi h ALA 194 CO -0.11 0.36 0.32 0.00 0.00 0.00 0.00 179.25 179.82 1gqi h ARG 195 N 0.78 0.69 -0.14 0.00 3.08 -0.60 0.49 114.38 118.68 1gqi h ARG 195 Ca 0.19 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1gqi h ARG 195 Cb 0.21 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1gqi h ARG 195 CO -0.01 0.49 0.01 0.82 -1.07 0.00 0.00 179.97 180.21 1gqi h ILE 196 N 0.69 0.92 -0.15 2.04 2.04 -0.98 -0.17 117.51 121.90 1gqi h ILE 196 Ca 0.19 -0.02 -0.23 0.00 1.00 0.00 0.00 64.86 65.80 1gqi h ILE 196 Cb -0.03 0.85 0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1gqi h ILE 196 CO -0.04 0.01 -0.79 0.78 0.00 0.00 0.00 178.15 178.11 1gqi h ASN 197 N 0.06 0.94 0.06 1.72 2.35 -1.24 -3.01 115.58 116.47 1gqi h ASN 197 Ca 0.06 -0.62 -0.02 0.00 -0.55 0.00 0.00 56.30 55.17 1gqi h ASN 197 Cb 0.07 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 1gqi h ASN 197 CO -0.10 1.42 -0.07 0.00 -1.65 0.00 0.00 177.43 177.04 1gqi h ALA 198 N 0.56 1.83 0.00 -0.83 0.00 -0.77 -1.14 119.26 118.90 1gqi h ALA 198 Ca -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1gqi h ALA 198 Cb 1.42 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1gqi h ALA 198 CO 0.16 0.13 -0.01 0.66 0.00 0.00 0.00 179.25 180.19 1gqi h SER 199 N 0.04 0.00 -0.02 0.00 4.64 -0.88 -0.26 113.55 117.08 1gqi h SER 199 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1gqi h SER 199 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1gqi h SER 199 CO 0.01 0.01 -0.23 0.18 -0.87 0.00 0.00 176.83 175.93 1gqi n LEU 200 N -3.24 2.30 0.00 5.97 7.99 -0.52 -4.82 117.00 124.68 1gqi n LEU 200 Ca -0.03 -0.87 0.00 0.00 -0.01 0.00 0.00 56.01 55.10 1gqi n LEU 200 Cb 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 1gqi n LEU 200 CO 0.22 0.41 0.00 0.61 -1.51 0.00 0.00 177.39 177.12 1gqi n GLY 201 N 1.27 0.50 3.71 -0.72 0.00 -0.11 -4.49 105.19 105.35 1gqi n GLY 201 Ca 0.10 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 3.18 -0.09 -0.61 -1.09 -0.67 -4.86 121.20 115.06 1gqi s ILE 202 Ca 0.00 0.77 0.13 0.00 -2.23 0.00 0.00 60.65 59.31 1gqi s ILE 202 Cb 0.00 -3.49 0.19 0.00 -1.58 0.00 0.00 42.46 37.58 1gqi s ILE 202 CO 0.00 0.04 1.09 -0.46 -1.23 0.00 0.00 174.94 174.37 1gqi n ASN 203 N 4.55 2.05 -3.49 3.58 0.23 -0.05 -4.17 115.26 117.96 1gqi n ASN 203 Ca 0.13 -2.70 -0.14 0.00 -0.53 0.00 0.00 54.58 51.35 1gqi n ASN 203 Cb 0.41 -0.30 -0.04 0.00 -2.08 0.00 0.00 39.78 37.77 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 -2.22 -0.53 -0.05 4.83 0.00 -1.15 -1.54 107.32 106.66 1gqi s GLY 204 Ca 0.21 1.12 -0.02 0.00 0.00 0.00 0.00 44.72 46.03 1gqi s GLY 204 CO 0.02 0.64 0.11 -1.08 0.00 0.00 0.00 173.10 172.78 1gqi s THR 205 N -2.23 -0.03 -0.37 0.90 -1.32 -0.71 -1.69 115.64 110.18 1gqi s THR 205 Ca -0.04 0.13 -0.11 0.00 -1.21 0.00 0.00 61.69 60.46 1gqi s THR 205 Cb -0.01 -0.17 0.03 0.00 -1.51 0.00 0.00 72.50 70.84 1gqi s THR 205 CO -0.01 0.05 0.21 -0.69 -2.21 0.00 0.00 174.62 171.97 1gqi s VAL 206 N 0.78 4.59 -1.36 5.08 1.01 -0.20 -0.88 120.40 129.44 1gqi s VAL 206 Ca -0.06 -0.85 0.26 0.00 0.00 0.00 0.00 61.98 61.33 1gqi s VAL 206 Cb -0.08 -3.56 0.13 0.00 0.00 0.00 0.00 36.38 32.86 1gqi s VAL 206 CO -0.03 -0.24 1.49 2.30 0.00 0.00 0.00 175.10 178.62 1gqi n ILE 207 N 5.00 0.00 -4.23 2.22 -5.35 -1.19 -0.96 119.36 114.84 1gqi n ILE 207 Ca -0.12 -0.06 -0.18 0.00 -0.27 0.00 0.00 62.75 62.12 1gqi n ILE 207 Cb 0.46 0.32 -0.11 0.00 -1.74 0.00 0.00 39.64 38.57 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 -2.76 1.95 0.38 7.28 4.22 -1.20 -4.35 114.94 120.45 1gqi s ASN 208 Ca 0.17 -0.78 -0.28 0.00 -2.14 0.00 0.00 52.86 49.83 1gqi s ASN 208 Cb 0.18 -0.06 -0.11 0.00 1.28 0.00 0.00 41.25 42.54 1gqi s ASN 208 CO 0.62 -0.14 1.50 -3.20 -2.04 0.00 0.00 177.10 173.84 1gqi n ASN 209 N 0.63 3.86 0.25 3.54 2.85 -0.35 -4.29 115.26 121.75 1gqi n ASN 209 Ca -0.16 1.23 0.10 0.00 -0.11 0.00 0.00 54.58 55.63 1gqi n ASN 209 Cb 0.57 -1.63 0.67 0.00 1.24 0.00 0.00 39.78 40.63 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 2.98 0.84 -0.95 3.44 -1.51 -1.91 -3.21 116.25 115.92 1gqi h VAL 210 Ca -0.51 -0.38 -0.58 0.00 -1.23 0.00 0.00 66.70 64.00 1gqi h VAL 210 Cb 1.24 1.22 -0.09 0.00 -2.13 0.00 0.00 31.29 31.53 1gqi h VAL 210 CO 0.65 0.10 1.64 0.20 -1.23 0.00 0.00 177.57 178.92 1gqi s ASN 211 N -6.62 6.40 0.09 4.19 0.01 -1.26 -4.36 114.94 113.40 1gqi s ASN 211 Ca -0.04 -1.72 -0.24 0.00 -0.71 0.00 0.00 52.86 50.15 1gqi s ASN 211 Cb 0.15 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 39.17 1gqi s ASN 211 CO 0.63 -1.60 0.73 0.00 -1.51 0.00 0.00 177.10 175.35 1gqi s ALA 212 N 5.54 3.44 -0.24 0.60 0.00 -1.21 -5.01 121.76 124.88 1gqi s ALA 212 Ca 0.52 0.26 -0.15 0.00 0.00 0.00 0.00 51.96 52.59 1gqi s ALA 212 Cb 0.01 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1gqi s ALA 212 CO -0.02 0.21 0.37 0.34 0.00 0.00 0.00 175.76 176.66 1gqi s ASP 213 N -0.64 6.31 0.54 0.00 -1.08 -1.26 -4.58 116.67 115.96 1gqi s ASP 213 Ca 0.35 0.36 0.36 0.00 -0.52 0.00 0.00 52.55 53.10 1gqi s ASP 213 Cb -0.21 -2.21 1.84 0.00 -1.46 0.00 0.00 42.92 40.87 1gqi s ASP 213 CO 0.23 -0.13 2.09 1.55 0.52 0.00 0.00 175.17 179.43 1gqi h PRO 214 N 7.84 0.00 -0.03 4.34 0.13 -1.94 -2.79 132.00 139.55 1gqi h PRO 214 Ca -0.34 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1gqi h PRO 214 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1gqi h PRO 214 CO 0.67 0.00 0.04 0.00 -0.23 0.00 0.00 178.00 178.48 1gqi h ARG 215 N 0.00 0.00 0.00 0.86 3.08 -1.98 -2.16 114.38 114.17 1gqi h ARG 215 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1gqi h ARG 215 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1gqi h ARG 215 CO 0.00 0.00 0.00 -0.39 -1.07 0.00 0.00 179.97 178.51 1gqi h VAL 216 N 0.00 0.00 -0.19 2.04 -1.51 -1.88 -1.19 116.25 113.52 1gqi h VAL 216 Ca 0.01 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1gqi h VAL 216 Cb 0.10 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1gqi h VAL 216 CO -0.00 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.52 1gqi n LEU 217 N -3.01 2.43 -4.86 4.19 7.99 -0.81 -4.05 117.00 118.88 1gqi n LEU 217 Ca -0.02 -0.97 -0.31 0.00 -0.01 0.00 0.00 56.01 54.70 1gqi n LEU 217 Cb 0.12 -0.12 -0.04 0.00 -0.11 0.00 0.00 43.42 43.28 1gqi n LEU 217 CO 0.21 0.48 0.55 -0.94 -1.51 0.00 0.00 177.39 176.18 1gqi s SER 218 N -1.68 6.59 0.31 -1.43 1.04 -0.45 -4.87 113.70 113.21 1gqi s SER 218 Ca 0.34 1.34 0.02 0.00 0.48 0.00 0.00 55.95 58.14 1gqi s SER 218 Cb 0.20 -2.41 0.59 0.00 0.10 0.00 0.00 66.02 64.50 1gqi s SER 218 CO 0.30 -0.47 1.89 -0.78 0.98 0.00 0.00 173.24 175.16 1gqi h ASP 219 N 1.19 0.86 -0.42 7.02 1.82 -1.91 0.13 116.42 125.11 1gqi h ASP 219 Ca -0.47 0.02 0.08 0.00 -0.39 0.00 0.00 57.03 56.27 1gqi h ASP 219 Cb 1.19 -0.16 -0.07 0.00 0.68 0.00 0.00 39.33 40.97 1gqi h ASP 219 CO 0.63 0.52 0.02 -0.61 -1.61 0.00 0.00 179.24 178.18 1gqi h GLN 220 N 0.96 0.13 0.10 0.28 4.15 -1.93 -1.73 115.11 117.06 1gqi h GLN 220 Ca 0.42 -0.01 -0.27 0.00 0.77 0.00 0.00 58.65 59.57 1gqi h GLN 220 Cb 0.36 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 1gqi h GLN 220 CO -0.18 0.08 -1.23 0.74 -1.93 0.00 0.00 178.83 176.31 1gqi h PHE 221 N 0.13 0.39 -0.39 3.99 0.04 -1.60 -3.30 116.94 116.20 1gqi h PHE 221 Ca 0.21 -0.29 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 1gqi h PHE 221 Cb 0.29 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 1gqi h PHE 221 CO -0.26 1.23 0.17 -0.07 -0.60 0.00 0.00 178.31 178.78 1gqi h LEU 222 N 0.06 0.49 -1.00 1.54 3.38 -0.49 0.16 115.31 119.45 1gqi h LEU 222 Ca -0.12 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1gqi h LEU 222 Cb 1.94 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.53 1gqi h LEU 222 CO 0.19 0.43 0.26 1.56 0.09 0.00 0.00 178.44 180.97 1gqi h GLN 223 N 0.55 0.99 -0.14 1.13 4.20 -1.41 0.07 115.11 120.50 1gqi h GLN 223 Ca 0.14 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1gqi h GLN 223 Cb 0.09 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1gqi h GLN 223 CO -0.02 0.81 -0.19 0.87 -0.67 0.00 0.00 178.83 179.63 1gqi h LYS 224 N 0.97 0.37 -0.40 1.46 1.57 -1.28 -3.06 116.57 116.19 1gqi h LYS 224 Ca 0.23 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1gqi h LYS 224 Cb 0.19 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1gqi h LYS 224 CO -0.02 0.79 0.06 0.82 -0.57 0.00 0.00 179.45 180.53 1gqi h ILE 225 N -0.02 1.20 -0.31 1.86 2.04 -0.56 -2.25 117.51 119.46 1gqi h ILE 225 Ca 0.01 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 1gqi h ILE 225 Cb 0.75 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1gqi h ILE 225 CO 0.04 0.27 -0.02 0.00 0.00 0.00 0.00 178.15 178.44 1gqi h ALA 226 N 1.48 1.39 -0.49 1.87 0.00 -0.99 0.57 119.26 123.10 1gqi h ALA 226 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1gqi h ALA 226 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1gqi h ALA 226 CO 0.00 0.42 0.09 0.00 0.00 0.00 0.00 179.25 179.77 1gqi h ALA 227 N 1.52 0.65 -0.34 0.00 0.00 -1.31 0.22 119.26 120.00 1gqi h ALA 227 Ca 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1gqi h ALA 227 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1gqi h ALA 227 CO 0.01 0.36 0.18 -0.07 0.00 0.00 0.00 179.25 179.73 1gqi h LEU 228 N 0.68 0.44 -1.12 0.00 3.38 -1.14 -2.14 115.31 115.41 1gqi h LEU 228 Ca 0.15 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1gqi h LEU 228 Cb 0.37 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1gqi h LEU 228 CO 0.01 0.42 0.60 0.00 0.09 0.00 0.00 178.44 179.56 1gqi h ALA 229 N 1.04 1.41 -0.72 1.53 0.00 -0.58 -1.27 119.26 120.66 1gqi h ALA 229 Ca 0.12 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1gqi h ALA 229 Cb 0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1gqi h ALA 229 CO -0.02 0.50 0.18 -0.44 0.00 0.00 0.00 179.25 179.48 1gqi h ASP 230 N 1.15 1.08 -0.13 0.00 3.32 -0.72 -0.71 116.42 120.41 1gqi h ASP 230 Ca 0.36 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1gqi h ASP 230 Cb -0.00 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 1gqi h ASP 230 CO -0.10 1.03 -0.10 0.00 -1.72 0.00 0.00 179.24 178.35 1gqi h ALA 231 N 1.10 1.31 0.00 3.45 0.00 -0.63 -3.25 119.26 121.24 1gqi h ALA 231 Ca 0.23 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1gqi h ALA 231 Cb 0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1gqi h ALA 231 CO 0.00 0.46 -1.06 0.74 0.00 0.00 0.00 179.25 179.40 1gqi h PHE 232 N 0.44 0.00 -0.56 0.00 0.04 -0.85 -3.39 116.94 112.62 1gqi h PHE 232 Ca 0.08 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.95 1gqi h PHE 232 Cb 0.44 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.52 1gqi h PHE 232 CO 0.01 0.93 0.15 -0.09 -0.60 0.00 0.00 178.31 178.72 1gqi h ARG 233 N 0.00 0.30 0.00 1.51 2.43 -1.17 -1.35 114.38 116.10 1gqi h ARG 233 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1gqi h ARG 233 Cb 1.76 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 1gqi h ARG 233 CO 0.11 0.20 0.00 -1.00 -1.51 0.00 0.00 179.97 177.77 1gqi h PRO 234 N 0.31 0.00 -0.54 0.20 0.13 -1.76 -0.99 132.00 129.34 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 -0.33 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.10 1gqi n TYR 235 N -2.91 0.79 -1.06 1.56 4.01 -0.52 -4.13 117.16 114.89 1gqi n TYR 235 Ca -0.01 -0.37 -0.02 0.00 -0.16 0.00 0.00 57.90 57.34 1gqi n TYR 235 Cb 0.17 -0.05 -0.01 0.00 -0.31 0.00 0.00 39.34 39.15 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 1.22 0.55 3.48 2.72 0.00 -0.37 -4.70 105.19 108.09 1gqi n GLY 236 Ca 0.18 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.01 4.71 0.30 -0.61 1.01 -1.12 -4.60 121.20 118.89 1gqi s ILE 237 Ca 0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 60.65 60.30 1gqi s ILE 237 Cb 0.00 -3.29 -0.09 0.00 0.01 0.00 0.00 42.46 39.09 1gqi s ILE 237 CO 0.00 0.21 0.77 -0.54 0.00 0.00 0.00 174.94 175.37 1gqi s LYS 238 N 1.66 4.14 0.02 2.79 1.02 -0.59 -4.04 119.74 124.74 1gqi s LYS 238 Ca 0.06 0.82 -0.21 0.00 0.02 0.00 0.00 55.97 56.66 1gqi s LYS 238 Cb -0.16 -2.56 -0.06 0.00 -0.52 0.00 0.00 37.83 34.53 1gqi s LYS 238 CO 0.07 0.22 0.62 1.41 -0.92 0.00 0.00 175.35 176.75 1gqi s MET 239 N -2.64 4.34 0.13 1.68 -2.45 -1.26 -1.73 119.30 117.36 1gqi s MET 239 Ca 0.51 0.80 0.05 0.00 -1.25 0.00 0.00 55.69 55.81 1gqi s MET 239 Cb -0.13 -3.33 -0.04 0.00 1.25 0.00 0.00 34.83 32.59 1gqi s MET 239 CO 0.18 0.40 -0.13 0.71 1.05 0.00 0.00 175.02 177.24 1gqi s TYR 240 N -0.33 1.33 0.01 4.11 1.51 -0.06 0.17 117.35 124.09 1gqi s TYR 240 Ca 0.32 -0.62 0.05 0.00 -1.01 0.00 0.00 57.07 55.81 1gqi s TYR 240 Cb -0.19 -0.69 -0.02 0.00 -0.11 0.00 0.00 41.96 40.96 1gqi s TYR 240 CO 0.19 0.12 -0.14 -0.51 -1.11 0.00 0.00 175.55 174.10 1gqi s LEU 241 N -2.66 2.09 0.20 -1.29 1.43 -0.88 -3.19 118.68 114.39 1gqi s LEU 241 Ca 0.11 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 1gqi s LEU 241 Cb -0.03 -0.66 -0.08 0.00 0.03 0.00 0.00 46.19 45.45 1gqi s LEU 241 CO 0.02 0.11 1.12 -0.44 0.23 0.00 0.00 176.35 177.39 1gqi s SER 242 N -0.70 7.23 0.14 2.29 0.01 -1.26 -1.13 113.70 120.29 1gqi s SER 242 Ca 0.04 2.15 0.11 0.00 1.31 0.00 0.00 55.95 59.55 1gqi s SER 242 Cb -0.06 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 1gqi s SER 242 CO 0.00 -0.23 -0.25 0.27 0.41 0.00 0.00 173.24 173.44 1gqi s ILE 243 N -0.39 2.38 -0.29 1.44 -5.25 -0.56 -4.74 121.20 113.79 1gqi s ILE 243 Ca 0.49 -1.79 -0.17 0.00 -0.99 0.00 0.00 60.65 58.19 1gqi s ILE 243 Cb -0.30 -2.09 -0.02 0.00 2.95 0.00 0.00 42.46 43.00 1gqi s ILE 243 CO 0.36 0.04 0.47 0.21 -1.79 0.00 0.00 174.94 174.23 1gqi s ASN 244 N -2.23 6.35 0.56 4.36 2.47 -1.26 -4.53 114.94 120.65 1gqi s ASN 244 Ca 0.16 0.30 0.24 0.00 0.42 0.00 0.00 52.86 53.98 1gqi s ASN 244 Cb -0.10 -2.26 1.54 0.00 -1.45 0.00 0.00 41.25 38.99 1gqi s ASN 244 CO 0.08 -0.31 2.17 0.15 -3.72 0.00 0.00 177.10 175.47 1gqi h PHE 245 N 8.18 0.00 -0.23 0.43 3.57 -1.88 -1.18 116.94 125.82 1gqi h PHE 245 Ca -0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1gqi h PHE 245 Cb 1.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1gqi h PHE 245 CO 0.75 0.00 0.00 0.09 -2.23 0.00 0.00 178.31 176.92 1gqi n ASN 246 N -4.16 1.80 -0.34 0.41 3.02 -1.26 -4.54 115.26 110.18 1gqi n ASN 246 Ca -0.01 -2.11 0.11 0.00 -0.03 0.00 0.00 54.58 52.54 1gqi n ASN 246 Cb 0.16 -0.31 0.31 0.00 -0.61 0.00 0.00 39.78 39.33 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 1.44 0.81 -0.90 6.41 0.02 -1.63 -0.37 113.55 119.33 1gqi h SER 247 Ca 0.00 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.10 1gqi h SER 247 Cb 0.57 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.96 1gqi h SER 247 CO 0.06 0.36 0.58 -0.65 -1.14 0.00 0.00 176.83 176.04 1gqi h PRO 248 N 0.83 0.91 -0.13 3.45 0.11 -1.86 -0.64 132.00 134.67 1gqi h PRO 248 Ca 0.52 -0.05 -0.23 0.00 0.11 0.00 0.00 66.00 66.35 1gqi h PRO 248 Cb 0.73 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 31.65 1gqi h PRO 248 CO -0.30 0.60 -0.81 0.00 -0.21 0.00 0.00 178.00 177.28 1gqi h ARG 249 N 0.94 0.74 -0.53 1.05 3.08 -1.17 -2.07 114.38 116.42 1gqi h ARG 249 Ca 0.40 -0.63 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 1gqi h ARG 249 Cb 0.33 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1gqi h ARG 249 CO -0.17 1.24 0.21 0.00 -1.07 0.00 0.00 179.97 180.18 1gqi h ALA 250 N 0.58 1.37 0.00 0.04 0.00 -0.46 -0.68 119.26 120.10 1gqi h ALA 250 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1gqi h ALA 250 Cb 1.44 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1gqi h ALA 250 CO 0.16 0.48 0.00 1.19 0.00 0.00 0.00 179.25 181.08 1gqi n PHE 251 N -4.34 0.00 -1.71 0.00 3.01 -0.33 -4.90 117.46 109.20 1gqi n PHE 251 Ca 0.04 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.35 1gqi n PHE 251 Cb 0.16 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.58 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 0.99 1.00 0.09 1.37 0.00 -0.26 -4.90 105.19 103.47 1gqi n GLY 252 Ca 0.24 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.64 0.30 -3.93 1.61 8.00 -0.81 -4.95 116.55 116.13 1gqi n ASP 253 Ca -0.16 0.14 -0.10 0.00 0.71 0.00 0.00 54.79 55.37 1gqi n ASP 253 Cb 0.55 0.77 -0.12 0.00 -0.02 0.00 0.00 41.12 42.29 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 -2.69 0.06 -1.58 2.53 1.01 -0.98 -5.03 120.40 113.73 1gqi s VAL 254 Ca -0.08 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1gqi s VAL 254 Cb 0.08 -0.17 0.22 0.00 0.00 0.00 0.00 36.38 36.51 1gqi s VAL 254 CO 0.84 -0.29 1.07 -0.90 0.00 0.00 0.00 175.10 175.81 1gqi n ASP 255 N 2.20 1.63 -3.75 3.32 5.68 -1.26 -3.63 116.55 120.72 1gqi n ASP 255 Ca -0.19 -2.10 -0.10 0.00 -0.50 0.00 0.00 54.79 51.91 1gqi n ASP 255 Cb 0.57 -0.29 -0.04 0.00 -1.14 0.00 0.00 41.12 40.22 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 -1.64 0.03 -0.03 2.12 -1.32 -1.26 -5.03 115.64 108.50 1gqi s THR 256 Ca 0.16 -0.82 0.04 0.00 -1.21 0.00 0.00 61.69 59.86 1gqi s THR 256 Cb 0.09 -1.61 0.07 0.00 -1.51 0.00 0.00 72.50 69.54 1gqi s THR 256 CO 0.08 -0.12 0.97 0.00 -2.21 0.00 0.00 174.62 173.35 1gqi n ALA 257 N -0.34 1.93 -1.67 11.08 0.00 -1.26 -4.43 120.51 125.82 1gqi n ALA 257 Ca -0.10 -1.31 -0.49 0.00 0.00 0.00 0.00 53.44 51.54 1gqi n ALA 257 Cb 0.62 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.63 3.35 0.15 0.00 2.03 -1.26 -4.83 116.55 115.36 1gqi n ASP 258 Ca 0.04 0.92 0.12 0.00 0.52 0.00 0.00 54.79 56.38 1gqi n ASP 258 Cb 0.39 -1.36 0.56 0.00 -0.72 0.00 0.00 41.12 39.99 1gqi n ASP 258 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1gqi h PRO 259 N 9.56 0.00 -0.01 -0.67 0.13 -1.93 -1.61 132.00 137.47 1gqi h PRO 259 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1gqi h PRO 259 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1gqi h PRO 259 CO 0.95 0.00 -0.22 1.28 -0.23 0.00 0.00 178.00 179.78 1gqi n LEU 260 N -2.29 0.89 -4.68 1.56 4.77 -1.26 -4.61 117.00 111.37 1gqi n LEU 260 Ca 0.00 -0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.37 1gqi n LEU 260 Cb 0.14 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1gqi n LEU 260 CO 0.15 0.17 0.76 -0.62 -1.33 0.00 0.00 177.39 176.52 1gqi s ASP 261 N -2.50 7.20 0.51 -1.43 -1.08 -0.61 -4.94 116.67 113.83 1gqi s ASP 261 Ca 0.25 1.47 0.21 0.00 -0.52 0.00 0.00 52.55 53.96 1gqi s ASP 261 Cb 0.19 -2.54 1.30 0.00 -1.46 0.00 0.00 42.92 40.42 1gqi s ASP 261 CO 0.51 -0.44 2.03 -0.65 0.52 0.00 0.00 175.17 177.14 1gqi h PRO 262 N 7.13 0.07 -0.10 4.34 0.11 -1.88 -0.69 132.00 140.98 1gqi h PRO 262 Ca -0.31 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.70 1gqi h PRO 262 Cb 1.14 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1gqi h PRO 262 CO 0.85 0.04 -0.37 0.00 -0.21 0.00 0.00 178.00 178.32 1gqi h ARG 263 N 0.07 0.20 -0.06 1.05 3.08 -1.94 -0.85 114.38 115.94 1gqi h ARG 263 Ca 0.19 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 1gqi h ARG 263 Cb 0.68 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1gqi h ARG 263 CO -0.01 0.55 -0.27 0.28 -1.07 0.00 0.00 179.97 179.45 1gqi h VAL 264 N 0.18 1.44 -0.53 2.04 2.07 -1.42 -0.84 116.25 119.18 1gqi h VAL 264 Ca 0.02 -1.69 0.08 0.00 0.82 0.00 0.00 66.70 65.92 1gqi h VAL 264 Cb 0.73 2.36 -0.06 0.00 -1.52 0.00 0.00 31.29 32.80 1gqi h VAL 264 CO 0.06 0.48 0.18 1.56 0.02 0.00 0.00 177.57 179.87 1gqi h GLN 265 N -0.23 0.34 -0.59 1.57 4.20 -1.28 -1.80 115.11 117.33 1gqi h GLN 265 Ca -0.02 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1gqi h GLN 265 Cb 0.92 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 1gqi h GLN 265 CO 0.06 0.23 0.01 0.37 -0.67 0.00 0.00 178.83 178.83 1gqi h GLN 266 N 0.35 1.01 -0.48 1.46 5.75 -1.11 -1.63 115.11 120.46 1gqi h GLN 266 Ca 0.26 -0.30 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 1gqi h GLN 266 Cb 0.30 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.71 1gqi h GLN 266 CO -0.27 0.99 0.24 2.35 -2.65 0.00 0.00 178.83 179.48 1gqi h TRP 267 N 0.93 0.44 -0.13 3.99 7.01 -0.49 0.27 115.95 127.98 1gqi h TRP 267 Ca 0.17 0.02 -0.16 0.00 2.11 0.00 0.00 58.89 61.03 1gqi h TRP 267 Cb 0.52 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.45 1gqi h TRP 267 CO 0.03 0.22 -0.58 -1.49 -2.79 0.00 0.00 178.44 173.83 1gqi h TRP 268 N 0.47 0.53 -0.05 2.65 4.06 -1.16 -0.34 115.95 122.11 1gqi h TRP 268 Ca 0.21 -0.20 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 1gqi h TRP 268 Cb 0.12 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 28.18 1gqi h TRP 268 CO -0.10 0.90 0.03 -0.22 -3.56 0.00 0.00 178.44 175.48 1gqi h LYS 269 N 0.32 0.07 -0.89 0.49 3.64 -0.87 0.29 116.57 119.60 1gqi h LYS 269 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1gqi h LYS 269 Cb 1.11 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 1gqi h LYS 269 CO 0.10 0.12 0.53 1.15 -2.27 0.00 0.00 179.45 179.08 1gqi h THR 270 N -0.00 1.25 -0.37 1.00 2.02 -0.84 -1.93 112.91 114.03 1gqi h THR 270 Ca 0.02 -0.56 -0.13 0.00 0.77 0.00 0.00 66.41 66.51 1gqi h THR 270 Cb 0.07 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 1gqi h THR 270 CO -0.00 0.26 -0.28 -0.09 0.37 0.00 0.00 175.52 175.78 1gqi h ARG 271 N 1.24 0.84 -0.67 6.66 9.65 -0.79 -1.78 114.38 129.53 1gqi h ARG 271 Ca 0.32 -0.41 0.06 0.00 -1.10 0.00 0.00 59.98 58.85 1gqi h ARG 271 Cb -0.04 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.49 1gqi h ARG 271 CO -0.06 1.05 0.37 0.00 2.80 0.00 0.00 179.97 184.13 1gqi h ALA 272 N 0.77 0.90 -0.97 2.80 0.00 -0.73 0.56 119.26 122.59 1gqi h ALA 272 Ca 0.07 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1gqi h ALA 272 Cb 0.86 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1gqi h ALA 272 CO 0.07 0.03 0.64 1.96 0.00 0.00 0.00 179.25 181.95 1gqi h GLN 273 N 0.67 1.16 -0.13 0.00 4.20 -0.97 -0.46 115.11 119.57 1gqi h GLN 273 Ca 0.30 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 1gqi h GLN 273 Cb 0.21 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1gqi h GLN 273 CO -0.19 0.77 0.01 -0.22 -0.67 0.00 0.00 178.83 178.52 1gqi h LYS 274 N 1.19 0.23 -0.23 1.46 3.64 -0.47 -1.59 116.57 120.80 1gqi h LYS 274 Ca 0.40 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.75 1gqi h LYS 274 Cb 0.07 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1gqi h LYS 274 CO -0.14 0.45 0.00 0.82 -2.27 0.00 0.00 179.45 178.31 1gqi h ILE 275 N -0.02 0.84 0.00 2.00 2.04 -0.33 -2.13 117.51 119.92 1gqi h ILE 275 Ca 0.04 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1gqi h ILE 275 Cb 0.34 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1gqi h ILE 275 CO 0.01 0.01 -0.02 1.88 0.00 0.00 0.00 178.15 180.03 1gqi h TYR 276 N 0.08 0.00 -0.12 1.37 0.05 -0.97 0.85 116.97 118.22 1gqi h TYR 276 Ca 0.11 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.78 1gqi h TYR 276 Cb 0.14 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 1gqi h TYR 276 CO -0.19 0.02 -0.42 0.66 -1.05 0.00 0.00 178.16 177.18 1gqi h SER 277 N 0.00 0.30 0.44 3.88 4.64 -0.60 -2.99 113.55 119.22 1gqi h SER 277 Ca -0.00 -0.13 -0.31 0.00 -0.47 0.00 0.00 61.79 60.88 1gqi h SER 277 Cb 0.40 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1gqi h SER 277 CO 0.00 0.69 -1.58 1.88 -0.87 0.00 0.00 176.83 176.95 1gqi h TYR 278 N 0.24 0.40 -2.72 4.77 0.05 -1.02 -3.43 116.97 115.26 1gqi h TYR 278 Ca 0.02 -0.29 -0.60 0.00 0.05 0.00 0.00 58.73 57.91 1gqi h TYR 278 Cb 0.85 -0.02 -0.39 0.00 1.01 0.00 0.00 36.73 38.18 1gqi h TYR 278 CO 0.02 1.38 -0.81 0.42 -1.05 0.00 0.00 178.16 178.11 1gqi s ILE 279 N -2.61 0.87 0.31 -2.88 1.01 0.17 -4.85 121.20 113.21 1gqi s ILE 279 Ca -0.10 -2.43 0.37 0.00 0.00 0.00 0.00 60.65 58.49 1gqi s ILE 279 Cb 0.07 -1.61 0.39 0.00 0.01 0.00 0.00 42.46 41.33 1gqi s ILE 279 CO 0.84 -1.01 2.13 -0.65 0.00 0.00 0.00 174.94 176.25 1gqi h PRO 280 N 6.47 0.00 -0.23 2.79 0.11 -1.78 -1.60 132.00 137.76 1gqi h PRO 280 Ca 0.09 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.09 1gqi h PRO 280 Cb 0.92 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.97 1gqi h PRO 280 CO 0.40 0.00 -0.19 -0.40 -0.21 0.00 0.00 178.00 177.60 1gqi n ASP 281 N -2.95 2.33 -4.62 -2.05 5.75 -1.26 -5.00 116.55 108.75 1gqi n ASP 281 Ca -0.01 -3.73 -0.46 0.00 -0.01 0.00 0.00 54.79 50.58 1gqi n ASP 281 Cb 0.16 -0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 39.63 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 -1.10 1.67 -0.02 2.11 7.35 -0.60 -4.65 117.46 122.21 1gqi n PHE 282 Ca 0.27 0.59 -0.17 0.00 -0.76 0.00 0.00 57.45 57.38 1gqi n PHE 282 Cb 0.91 -2.35 -0.08 0.00 0.35 0.00 0.00 39.48 38.32 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 3.25 0.79 0.00 7.13 0.00 -0.61 -3.42 103.07 110.22 1gqi h GLY 283 Ca -0.43 -1.13 0.00 0.00 0.00 0.00 0.00 47.33 45.77 1gqi h GLY 283 CO 0.69 1.00 0.00 0.61 0.00 0.00 0.00 176.54 178.84 1gqi n GLY 284 N 0.71 0.89 3.37 4.60 0.00 -1.25 -1.60 105.19 111.92 1gqi n GLY 284 Ca -0.08 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.60 2.34 -0.10 1.61 0.08 -0.59 -2.07 117.98 116.66 1gqi s PHE 285 Ca 0.00 -0.38 -0.02 0.00 0.12 0.00 0.00 56.93 56.64 1gqi s PHE 285 Cb 0.00 -1.35 -0.03 0.00 -0.57 0.00 0.00 43.02 41.07 1gqi s PHE 285 CO 0.00 0.21 -0.00 -1.17 -0.10 0.00 0.00 175.22 174.16 1gqi s LEU 286 N -1.55 3.53 -0.09 -0.37 2.96 -0.28 -0.09 118.68 122.80 1gqi s LEU 286 Ca 0.13 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1gqi s LEU 286 Cb -0.10 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.80 1gqi s LEU 286 CO 0.04 0.34 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.68 1gqi s VAL 287 N -0.66 0.68 -0.31 1.68 1.01 -0.09 -1.50 120.40 121.20 1gqi s VAL 287 Ca 0.11 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 1gqi s VAL 287 Cb -0.12 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.52 1gqi s VAL 287 CO 0.02 0.31 0.08 -0.75 0.00 0.00 0.00 175.10 174.76 1gqi s LYS 288 N 1.75 2.92 -0.01 2.72 2.20 -1.26 -0.89 119.74 127.18 1gqi s LYS 288 Ca 0.03 -0.97 0.03 0.00 -0.36 0.00 0.00 55.97 54.70 1gqi s LYS 288 Cb -0.13 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.80 1gqi s LYS 288 CO -0.06 -0.52 -0.11 0.00 -0.36 0.00 0.00 175.35 174.31 1gqi s ALA 289 N 1.46 0.89 -1.44 3.13 0.00 -1.26 -4.71 121.76 119.82 1gqi s ALA 289 Ca 0.01 -0.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.39 1gqi s ALA 289 Cb -0.18 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.77 1gqi s ALA 289 CO 0.02 0.21 1.04 -0.25 0.00 0.00 0.00 175.76 176.79 1gqi n ASP 290 N 2.76 -5.03 -3.75 0.00 8.00 -0.49 -4.90 116.55 113.14 1gqi n ASP 290 Ca -0.14 -0.68 -0.15 0.00 0.71 0.00 0.00 54.79 54.53 1gqi n ASP 290 Cb 0.56 -4.39 -0.15 0.00 -0.02 0.00 0.00 41.12 37.11 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 -3.44 0.09 -1.41 -2.24 0.15 -1.22 -4.74 113.70 100.89 1gqi s SER 291 Ca 0.56 0.17 -0.08 0.00 0.70 0.00 0.00 55.95 57.30 1gqi s SER 291 Cb -0.27 0.06 0.05 0.00 -1.71 0.00 0.00 66.02 64.15 1gqi s SER 291 CO 0.79 -0.15 0.59 -0.62 1.20 0.00 0.00 173.24 175.04 1gqi n GLU 292 N 4.33 -4.22 -0.61 5.44 1.02 -1.26 -1.04 120.64 124.31 1gqi n GLU 292 Ca -0.25 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1gqi n GLU 292 Cb 0.51 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 26.49 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 -1.36 0.98 3.77 0.62 0.00 -1.26 -5.04 105.19 102.90 1gqi n GLY 293 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.32 4.59 0.90 1.61 -1.52 -0.20 -4.99 119.66 119.73 1gqi s GLN 294 Ca 0.00 1.51 -0.11 0.00 -1.95 0.00 0.00 55.36 54.82 1gqi s GLN 294 Cb 0.00 -2.96 0.14 0.00 -0.22 0.00 0.00 33.01 29.97 1gqi s GLN 294 CO 0.00 0.24 1.11 -2.14 -0.25 0.00 0.00 175.29 174.25 1gqi s PRO 295 N -1.78 1.14 -0.02 2.91 0.02 -1.26 -1.40 135.00 134.61 1gqi s PRO 295 Ca 0.48 1.24 -0.29 0.00 0.02 0.00 0.00 61.00 62.46 1gqi s PRO 295 Cb -0.24 -1.76 0.10 0.00 0.02 0.00 0.00 34.50 32.61 1gqi s PRO 295 CO 0.31 -2.45 1.29 0.20 -0.33 0.00 0.00 177.00 176.02 1gqi s GLY 296 N -2.97 -0.13 0.51 0.52 0.00 -1.26 -2.57 107.32 101.42 1gqi s GLY 296 Ca 0.65 0.05 0.18 0.00 0.00 0.00 0.00 44.72 45.60 1gqi s GLY 296 CO 0.58 5.52 2.12 -0.56 0.00 0.00 0.00 173.10 180.75 1gqi h PRO 297 N 2.00 0.00 0.00 2.90 0.13 -1.88 -1.85 132.00 133.30 1gqi h PRO 297 Ca -0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.88 1gqi h PRO 297 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1gqi h PRO 297 CO 0.31 0.06 -0.11 1.96 -0.23 0.00 0.00 178.00 179.99 1gqi h GLN 298 N 0.00 0.00 0.00 0.86 4.20 -1.83 -0.04 115.11 118.30 1gqi h GLN 298 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1gqi h GLN 298 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1gqi h GLN 298 CO 0.01 0.11 0.00 0.41 -0.67 0.00 0.00 178.83 178.69 1gqi n GLY 299 N -0.33 -0.86 0.13 3.46 0.00 -0.69 -1.45 105.19 105.44 1gqi n GLY 299 Ca -0.01 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.92 0.00 -1.59 1.61 4.01 -0.18 -4.98 117.16 114.11 1gqi n TYR 300 Ca 0.00 -0.76 -0.12 0.00 -0.16 0.00 0.00 57.90 56.87 1gqi n TYR 300 Cb 0.08 -0.12 -0.04 0.00 -0.31 0.00 0.00 39.34 38.96 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 -1.07 0.90 3.74 2.72 0.00 -0.53 -5.02 105.19 105.94 1gqi n GLY 301 Ca 0.11 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.45 2.45 0.50 1.61 1.81 -0.30 -4.97 118.95 116.60 1gqi s ARG 302 Ca 0.00 -1.46 0.03 0.00 -1.72 0.00 0.00 55.73 52.58 1gqi s ARG 302 Cb 0.00 -2.24 0.02 0.00 -0.45 0.00 0.00 34.95 32.28 1gqi s ARG 302 CO 0.00 0.17 0.71 0.16 -0.68 0.00 0.00 175.30 175.66 1gqi s ASP 303 N -3.84 5.45 0.46 0.23 1.47 -1.26 -2.73 116.67 116.45 1gqi s ASP 303 Ca 0.37 -0.06 0.14 0.00 1.18 0.00 0.00 52.55 54.17 1gqi s ASP 303 Cb -0.04 -0.93 1.04 0.00 -0.34 0.00 0.00 42.92 42.65 1gqi s ASP 303 CO 0.23 -0.98 2.02 0.45 0.68 0.00 0.00 175.17 177.57 1gqi h HIS 304 N 0.26 0.04 -0.38 2.11 3.86 -1.96 -2.01 115.15 117.07 1gqi h HIS 304 Ca -0.42 -0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.64 1gqi h HIS 304 Cb 1.29 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.74 1gqi h HIS 304 CO 0.39 0.16 -0.33 0.00 0.86 0.00 0.00 177.93 179.01 1gqi h ALA 305 N 1.84 0.55 -0.88 2.45 0.00 -1.94 -0.64 119.26 120.64 1gqi h ALA 305 Ca 0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1gqi h ALA 305 Cb 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1gqi h ALA 305 CO 0.02 0.61 0.53 0.93 0.00 0.00 0.00 179.25 181.34 1gqi h GLU 306 N 0.70 1.21 -0.11 0.00 5.08 -1.77 0.96 114.58 120.65 1gqi h GLU 306 Ca 0.07 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1gqi h GLU 306 Cb 0.92 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1gqi h GLU 306 CO 0.08 0.85 -0.11 0.78 -1.00 0.00 0.00 179.01 179.61 1gqi h GLY 307 N 1.22 0.29 0.98 -3.84 0.00 -1.30 -2.72 103.07 97.70 1gqi h GLY 307 Ca 0.32 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1gqi h GLY 307 CO -0.06 0.27 0.15 0.00 0.00 0.00 0.00 176.54 176.91 1gqi h ALA 308 N 0.58 0.68 0.00 3.60 0.00 -0.96 -2.85 119.26 120.30 1gqi h ALA 308 Ca 0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1gqi h ALA 308 Cb 0.64 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1gqi h ALA 308 CO 0.03 0.34 -0.36 -0.91 0.00 0.00 0.00 179.25 178.35 1gqi h ASN 309 N 0.71 0.00 -0.24 0.00 2.35 -0.85 0.29 115.58 117.84 1gqi h ASN 309 Ca 0.17 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 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 -0.00 0.36 0.05 -0.03 -1.65 0.00 0.00 177.43 176.16 1gqi h MET 310 N 0.00 0.39 -0.59 0.81 4.05 -1.26 0.15 114.93 118.48 1gqi h MET 310 Ca -0.00 -0.10 -0.11 0.00 -0.28 0.00 0.00 59.70 59.21 1gqi h MET 310 Cb 0.69 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 1gqi h MET 310 CO 0.05 0.51 -0.04 -0.07 0.23 0.00 0.00 176.91 177.58 1gqi h LEU 311 N 0.22 1.06 -1.18 3.39 3.38 -1.30 -2.80 115.31 118.08 1gqi h LEU 311 Ca 0.08 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1gqi h LEU 311 Cb 0.29 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1gqi h LEU 311 CO 0.00 1.13 0.09 0.00 0.09 0.00 0.00 178.44 179.75 1gqi h ALA 312 N 0.97 1.34 -0.47 1.53 0.00 -0.75 -2.28 119.26 119.59 1gqi h ALA 312 Ca 0.16 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1gqi h ALA 312 Cb 0.61 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1gqi h ALA 312 CO 0.04 0.47 0.02 0.00 0.00 0.00 0.00 179.25 179.77 1gqi h ALA 313 N 1.46 1.15 -0.54 0.00 0.00 -0.71 0.14 119.26 120.75 1gqi h ALA 313 Ca 0.14 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1gqi h ALA 313 Cb 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1gqi h ALA 313 CO 0.00 0.55 0.09 0.00 0.00 0.00 0.00 179.25 179.90 1gqi h ALA 314 N 1.30 1.15 0.00 0.00 0.00 -1.23 -3.24 119.26 117.23 1gqi h ALA 314 Ca 0.14 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1gqi h ALA 314 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1gqi h ALA 314 CO 0.02 0.57 -0.97 -0.07 0.00 0.00 0.00 179.25 178.79 1gqi h LEU 315 N 0.81 0.00 -0.84 0.00 3.38 -0.95 -3.40 115.31 114.32 1gqi h LEU 315 Ca 0.17 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.23 1gqi h LEU 315 Cb 0.35 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 1gqi h LEU 315 CO 0.01 0.27 0.49 0.50 0.09 0.00 0.00 178.44 179.79 1gqi h LYS 316 N 0.00 0.79 0.00 1.13 1.63 -1.01 -1.22 116.57 117.89 1gqi h LYS 316 Ca -0.06 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1gqi h LYS 316 Cb 1.26 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1gqi h LYS 316 CO 0.02 0.52 0.00 -1.35 -3.45 0.00 0.00 179.45 175.20 1gqi h PRO 317 N 0.82 0.00 -0.10 1.90 0.11 -1.77 -2.04 132.00 130.92 1gqi h PRO 317 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1gqi h PRO 317 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1gqi h PRO 317 CO -0.24 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.74 1gqi n PHE 318 N -2.62 0.10 -0.98 0.65 3.72 -0.51 -4.98 117.46 112.83 1gqi n PHE 318 Ca -0.00 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1gqi n PHE 318 Cb 0.16 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 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 1.00 0.42 3.91 1.37 0.00 -0.77 -4.93 105.19 106.19 1gqi n GLY 319 Ca 0.11 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.72 1.55 0.21 -0.02 0.00 -0.90 -4.97 107.32 100.47 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 -0.31 -0.15 -1.34 0.00 0.00 0.00 173.10 171.30 1gqi s VAL 321 N -2.87 1.79 -0.23 1.40 -7.23 -0.63 -4.36 120.40 108.27 1gqi s VAL 321 Ca 0.50 -2.22 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 1gqi s VAL 321 Cb -0.10 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.79 1gqi s VAL 321 CO 0.46 -0.58 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.91 1gqi s VAL 322 N -2.93 3.03 -0.56 1.32 1.01 -0.08 -1.54 120.40 120.64 1gqi s VAL 322 Ca 0.23 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 1gqi s VAL 322 Cb -0.01 -2.43 0.07 0.00 0.00 0.00 0.00 36.38 34.01 1gqi s VAL 322 CO 0.07 0.35 0.78 -0.36 0.00 0.00 0.00 175.10 175.94 1gqi s PHE 323 N 1.40 2.90 -0.33 5.22 0.08 0.88 -0.49 117.98 127.63 1gqi s PHE 323 Ca 0.04 -0.50 -0.12 0.00 0.12 0.00 0.00 56.93 56.46 1gqi s PHE 323 Cb -0.15 -3.91 -0.01 0.00 -0.57 0.00 0.00 43.02 38.38 1gqi s PHE 323 CO -0.05 -1.28 0.22 -0.46 -0.10 0.00 0.00 175.22 173.54 1gqi s TRP 324 N 3.24 3.22 0.12 0.36 -0.11 0.18 -0.92 118.94 125.02 1gqi s TRP 324 Ca 0.19 -0.32 -0.30 0.00 1.22 0.00 0.00 56.10 56.89 1gqi s TRP 324 Cb -0.18 -2.44 -0.06 0.00 -1.50 0.00 0.00 33.47 29.28 1gqi s TRP 324 CO 0.12 -0.39 1.15 1.03 -4.62 0.00 0.00 176.95 174.24 1gqi s ARG 325 N 1.69 4.51 -0.08 5.86 0.52 -0.06 -0.78 118.95 130.61 1gqi s ARG 325 Ca 0.06 1.74 0.15 0.00 -0.52 0.00 0.00 55.73 57.15 1gqi s ARG 325 Cb -0.17 -3.32 0.57 0.00 0.52 0.00 0.00 34.95 32.56 1gqi s ARG 325 CO 0.09 -0.09 1.45 0.00 0.02 0.00 0.00 175.30 176.77 1gqi n ALA 326 N 3.16 2.93 -2.41 2.13 0.00 -0.24 -4.73 120.51 121.34 1gqi n ALA 326 Ca 0.06 -1.24 -0.38 0.00 0.00 0.00 0.00 53.44 51.88 1gqi n ALA 326 Cb 0.46 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.73 2.47 -0.02 0.00 5.36 -1.26 -4.76 117.98 118.04 1gqi s PHE 327 Ca 0.41 -0.84 0.02 0.00 -0.96 0.00 0.00 56.93 55.56 1gqi s PHE 327 Cb 0.26 -4.51 0.00 0.00 -0.34 0.00 0.00 43.02 38.43 1gqi s PHE 327 CO 0.20 -1.67 -0.07 0.08 -1.46 0.00 0.00 175.22 172.30 1gqi s VAL 328 N 6.42 0.62 -0.20 3.12 1.01 -1.26 -4.80 120.40 125.32 1gqi s VAL 328 Ca 0.57 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 1gqi s VAL 328 Cb 0.01 -0.56 0.10 0.00 0.00 0.00 0.00 36.38 35.93 1gqi s VAL 328 CO 0.06 0.20 0.40 -0.72 0.00 0.00 0.00 175.10 175.04 1gqi s TYR 329 N 0.14 -0.78 0.19 5.22 -0.85 -1.26 -3.74 117.35 116.26 1gqi s TYR 329 Ca -0.02 1.38 -0.24 0.00 -0.52 0.00 0.00 57.07 57.67 1gqi s TYR 329 Cb -0.07 0.24 -0.08 0.00 0.38 0.00 0.00 41.96 42.43 1gqi s TYR 329 CO 0.00 -0.51 0.77 -3.38 -1.52 0.00 0.00 175.55 170.91 1gqi s HIS 330 N 2.59 3.84 0.49 -3.49 -3.43 -1.26 -4.85 115.29 109.17 1gqi s HIS 330 Ca 0.01 1.58 0.32 0.00 -0.80 0.00 0.00 55.06 56.17 1gqi s HIS 330 Cb -0.13 -2.74 1.43 0.00 -1.43 0.00 0.00 32.58 29.72 1gqi s HIS 330 CO -0.13 0.46 1.75 -1.35 -2.00 0.00 0.00 174.74 173.48 1gqi h PRO 331 N 4.06 0.11 0.00 -0.38 0.11 -2.02 -3.01 132.00 130.87 1gqi h PRO 331 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1gqi h PRO 331 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1gqi h PRO 331 CO 0.66 0.07 0.00 0.38 -0.21 0.00 0.00 178.00 178.90 1gqi h ASP 332 N 0.12 0.00 -3.89 -2.05 3.04 -2.03 -3.47 116.42 108.14 1gqi h ASP 332 Ca 0.64 0.00 -0.49 0.00 -3.24 0.00 0.00 57.03 53.93 1gqi h ASP 332 Cb 2.23 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 40.55 1gqi h ASP 332 CO -0.13 0.00 0.22 0.27 -2.04 0.00 0.00 179.24 177.56 1gqi s ILE 333 N -3.30 4.78 0.10 4.15 -4.36 -1.14 -5.00 121.20 116.43 1gqi s ILE 333 Ca 0.06 0.62 0.10 0.00 -0.26 0.00 0.00 60.65 61.17 1gqi s ILE 333 Cb 0.10 -3.81 -0.09 0.00 1.25 0.00 0.00 42.46 39.90 1gqi s ILE 333 CO 0.49 -0.82 1.41 1.05 0.24 0.00 0.00 174.94 177.31 1gqi h GLU 334 N 0.45 0.00 -2.99 0.37 4.11 -1.92 -3.42 114.58 111.18 1gqi h GLU 334 Ca -0.46 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 58.52 1gqi h GLU 334 Cb 1.19 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.04 1gqi h GLU 334 CO 0.62 0.78 -0.74 0.34 0.07 0.00 0.00 179.01 180.08 1gqi s ASP 335 N -6.66 2.27 0.42 3.06 2.15 -1.26 -5.00 116.67 111.65 1gqi s ASP 335 Ca 0.01 -0.59 0.19 0.00 0.43 0.00 0.00 52.55 52.59 1gqi s ASP 335 Cb 0.10 -0.18 1.13 0.00 -0.30 0.00 0.00 42.92 43.67 1gqi s ASP 335 CO 0.78 -0.35 1.83 -0.09 -0.17 0.00 0.00 175.17 177.18 1gqi h ARG 336 N 8.41 0.36 -0.89 4.34 2.43 -1.95 -0.64 114.38 126.43 1gqi h ARG 336 Ca -0.15 -0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.20 1gqi h ARG 336 Cb 1.15 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.55 1gqi h ARG 336 CO 0.29 0.24 0.59 0.35 -1.51 0.00 0.00 179.97 179.93 1gqi h PHE 337 N 0.37 0.53 0.00 2.20 3.04 -1.95 -2.01 116.94 119.12 1gqi h PHE 337 Ca 0.50 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.47 1gqi h PHE 337 Cb 1.32 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 39.67 1gqi h PHE 337 CO -0.00 0.14 -0.17 0.54 -2.02 0.00 0.00 178.31 176.80 1gqi n ARG 338 N -4.51 0.10 0.25 1.11 1.74 -0.25 -4.60 116.66 110.51 1gqi n ARG 338 Ca 0.19 0.06 -0.17 0.00 -0.77 0.00 0.00 57.85 57.16 1gqi n ARG 338 Cb 0.69 -1.59 -0.09 0.00 -1.02 0.00 0.00 32.46 30.45 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 4.83 -1.02 0.97 -0.13 0.00 -1.47 -2.26 103.07 103.98 1gqi h GLY 339 Ca 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 1gqi h GLY 339 CO 0.00 -0.33 0.19 0.00 0.00 0.00 0.00 176.54 176.39 1gqi h ALA 340 N -0.53 0.43 -0.33 3.60 0.00 -1.81 -1.54 119.26 119.07 1gqi h ALA 340 Ca -0.04 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1gqi h ALA 340 Cb 0.76 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1gqi h ALA 340 CO -0.07 -0.05 -0.14 -0.92 0.00 0.00 0.00 179.25 178.06 1gqi h TYR 341 N 0.42 -0.35 0.00 0.00 5.03 -1.86 -0.36 116.97 119.85 1gqi h TYR 341 Ca 0.12 0.04 -0.06 0.00 2.58 0.00 0.00 58.73 61.40 1gqi h TYR 341 Cb 0.04 0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 1gqi h TYR 341 CO -0.03 -0.22 -0.29 -0.44 -1.32 0.00 0.00 178.16 175.86 1gqi h ASP 342 N -0.09 0.00 0.17 -2.11 3.32 -1.08 -1.22 116.42 115.41 1gqi h ASP 342 Ca 0.17 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.91 1gqi h ASP 342 Cb 0.34 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.93 1gqi h ASP 342 CO -0.39 0.29 -1.32 -0.08 -1.72 0.00 0.00 179.24 176.02 1gqi h GLU 343 N 0.00 0.59 0.00 3.56 4.57 -0.71 -3.40 114.58 119.19 1gqi h GLU 343 Ca -0.00 -0.87 -0.22 0.00 -1.18 0.00 0.00 59.36 57.09 1gqi h GLU 343 Cb 0.63 0.30 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 1gqi h GLU 343 CO 0.04 1.40 -2.23 1.19 -1.18 0.00 0.00 179.01 178.23 1gqi n PHE 344 N -3.78 0.00 -0.32 0.92 3.72 -0.20 -4.38 117.46 113.42 1gqi n PHE 344 Ca -0.15 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.31 1gqi n PHE 344 Cb 1.03 -0.80 0.22 0.00 -0.94 0.00 0.00 39.48 38.98 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 0.81 0.00 -1.08 2.86 -1.43 0.75 114.93 116.83 1gqi h MET 345 Ca -0.33 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1gqi h MET 345 Cb 1.75 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.23 1gqi h MET 345 CO 0.02 0.54 0.00 -1.35 1.06 0.00 0.00 176.91 177.17 1gqi h PRO 346 N 0.83 0.00 -0.17 -0.22 0.11 -1.79 -2.32 132.00 128.44 1gqi h PRO 346 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1gqi h PRO 346 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1gqi h PRO 346 CO -0.29 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.78 1gqi n LEU 347 N -2.88 2.97 -4.69 2.35 4.77 0.24 -4.94 117.00 114.81 1gqi n LEU 347 Ca -0.02 -1.12 -0.43 0.00 -0.03 0.00 0.00 56.01 54.41 1gqi n LEU 347 Cb 0.12 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1gqi n LEU 347 CO 0.19 0.56 1.45 -0.67 -1.33 0.00 0.00 177.39 177.59 1gqi n ASP 348 N 1.24 3.92 0.00 -1.43 2.03 -0.88 -0.56 116.55 120.87 1gqi n ASP 348 Ca 0.17 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.48 1gqi n ASP 348 Cb 0.57 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 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 4.15 1.69 0.21 0.27 0.00 -1.23 -4.91 105.19 105.38 1gqi n GLY 349 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 0.69 -3.30 1.61 5.02 0.28 -4.89 118.16 115.57 1gqi n LYS 350 Ca 0.00 -0.43 -0.35 0.00 -2.02 0.00 0.00 58.31 55.52 1gqi n LYS 350 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 1gqi n LYS 350 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1gqi s PHE 351 N -2.61 3.57 0.90 2.13 0.08 -1.26 -4.89 117.98 115.91 1gqi s PHE 351 Ca 0.21 1.11 -0.11 0.00 0.12 0.00 0.00 56.93 58.26 1gqi s PHE 351 Cb 0.19 -2.42 0.13 0.00 -0.57 0.00 0.00 43.02 40.35 1gqi s PHE 351 CO 0.57 0.36 1.10 0.00 -0.10 0.00 0.00 175.22 177.15 1gqi s ALA 352 N -1.57 1.46 -0.66 5.36 0.00 -1.26 -4.92 121.76 120.18 1gqi s ALA 352 Ca 0.42 0.24 0.24 0.00 0.00 0.00 0.00 51.96 52.85 1gqi s ALA 352 Cb -0.14 -3.31 0.91 0.00 0.00 0.00 0.00 23.12 20.58 1gqi s ALA 352 CO 0.20 -2.52 1.72 -0.40 0.00 0.00 0.00 175.76 174.75 1gqi n ASP 353 N -4.03 0.58 -1.59 0.00 5.68 -1.26 -1.65 116.55 114.27 1gqi n ASP 353 Ca 0.09 0.61 0.08 0.00 -0.50 0.00 0.00 54.79 55.06 1gqi n ASP 353 Cb 0.53 -0.74 0.36 0.00 -1.14 0.00 0.00 41.12 40.13 1gqi n ASP 353 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1gqi n ASN 354 N -2.10 5.17 -4.61 -1.12 6.94 -1.26 -4.79 115.26 113.49 1gqi n ASN 354 Ca 0.04 -2.94 -0.34 0.00 -0.02 0.00 0.00 54.58 51.32 1gqi n ASN 354 Cb 0.29 -0.64 -0.10 0.00 -2.36 0.00 0.00 39.78 36.96 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 -2.74 4.24 -0.10 3.53 1.01 -0.66 -0.91 120.40 124.77 1gqi s VAL 355 Ca 0.51 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1gqi s VAL 355 Cb 0.39 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.96 1gqi s VAL 355 CO 0.14 0.54 -0.15 -0.63 0.00 0.00 0.00 175.10 175.01 1gqi s ILE 356 N -0.26 1.45 -0.16 2.22 1.01 0.36 -4.34 121.20 121.47 1gqi s ILE 356 Ca 0.06 -0.62 -0.28 0.00 0.00 0.00 0.00 60.65 59.81 1gqi s ILE 356 Cb -0.12 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 1gqi s ILE 356 CO 0.02 0.43 0.95 -0.22 0.00 0.00 0.00 174.94 176.12 1gqi s LEU 357 N 0.96 4.18 -0.32 2.97 2.96 0.13 -0.65 118.68 128.90 1gqi s LEU 357 Ca -0.07 1.36 -0.11 0.00 -0.22 0.00 0.00 54.13 55.08 1gqi s LEU 357 Cb -0.15 -3.43 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 1gqi s LEU 357 CO -0.01 -0.49 0.20 -1.58 -1.32 0.00 0.00 176.35 173.16 1gqi s GLN 358 N 2.36 3.47 -0.09 1.98 0.74 0.04 -1.02 119.66 127.15 1gqi s GLN 358 Ca 0.44 -0.65 0.04 0.00 0.05 0.00 0.00 55.36 55.23 1gqi s GLN 358 Cb -0.17 -3.70 0.00 0.00 1.10 0.00 0.00 33.01 30.25 1gqi s GLN 358 CO 0.13 -0.41 -0.20 0.42 -0.55 0.00 0.00 175.29 174.67 1gqi s ILE 359 N 1.68 1.76 0.79 -2.34 1.01 -0.30 -1.08 121.20 122.72 1gqi s ILE 359 Ca 0.06 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.74 1gqi s ILE 359 Cb -0.17 -1.54 0.07 0.00 0.01 0.00 0.00 42.46 40.83 1gqi s ILE 359 CO 0.09 0.49 1.12 -0.54 0.00 0.00 0.00 174.94 176.11 1gqi s LYS 360 N 0.42 1.96 0.43 2.79 1.02 -1.26 -0.69 119.74 124.41 1gqi s LYS 360 Ca -0.17 1.38 0.14 0.00 0.02 0.00 0.00 55.97 57.34 1gqi s LYS 360 Cb -0.17 -1.85 1.03 0.00 -0.52 0.00 0.00 37.83 36.32 1gqi s LYS 360 CO 0.07 -1.90 1.98 -2.95 -0.92 0.00 0.00 175.35 171.63 1gqi h ASN 361 N -1.09 0.37 -3.44 2.83 -1.07 -1.88 -3.42 115.58 107.87 1gqi h ASN 361 Ca -0.44 0.01 -0.46 0.00 0.07 0.00 0.00 56.30 55.48 1gqi h ASN 361 Cb 1.25 -0.07 -0.14 0.00 -2.07 0.00 0.00 38.32 37.29 1gqi h ASN 361 CO 0.49 0.22 -0.60 -0.83 0.07 0.00 0.00 177.43 176.78 1gqi s GLY 362 N -3.79 2.06 0.00 9.14 0.00 -1.26 -1.21 107.32 112.26 1gqi s GLY 362 Ca -0.08 -1.96 0.29 0.00 0.00 0.00 0.00 44.72 42.98 1gqi s GLY 362 CO 0.75 -1.78 1.95 -1.55 0.00 0.00 0.00 173.10 172.47 1gqi n PRO 363 N -0.67 0.40 0.00 2.90 -0.04 -1.26 -4.58 135.00 131.76 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 0.66 -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 -1.25 0.00 -2.68 0.52 2.08 -1.26 -4.75 119.36 112.02 1gqi n ILE 364 Ca 0.13 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.39 1gqi n ILE 364 Cb 0.27 -0.60 0.05 0.00 -0.75 0.00 0.00 39.64 38.61 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 -0.46 -1.62 -2.81 4.38 2.03 -1.26 -5.00 116.55 111.81 1gqi n ASP 365 Ca 0.00 -1.63 -0.19 0.00 0.52 0.00 0.00 54.79 53.49 1gqi n ASP 365 Cb 0.00 0.87 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 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 2.05 -1.58 -1.48 -0.67 3.72 -1.26 -4.93 117.46 113.31 1gqi n PHE 366 Ca 0.07 0.25 -0.32 0.00 -0.05 0.00 0.00 57.45 57.40 1gqi n PHE 366 Cb 0.67 -3.45 0.07 0.00 -0.94 0.00 0.00 39.48 35.83 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 -5.44 2.58 0.48 -1.08 -1.52 -1.26 -4.79 119.66 108.62 1gqi s GLN 367 Ca 0.17 1.18 0.23 0.00 -1.95 0.00 0.00 55.36 54.99 1gqi s GLN 367 Cb -0.09 -1.94 1.25 0.00 -0.22 0.00 0.00 33.01 32.02 1gqi s GLN 367 CO 0.22 -1.40 1.91 -1.35 -0.25 0.00 0.00 175.29 174.42 1gqi h PRO 368 N -0.69 0.20 -3.40 2.91 0.11 -1.92 -3.35 132.00 125.86 1gqi h PRO 368 Ca -0.44 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.39 1gqi h PRO 368 Cb 1.23 -0.05 -0.32 0.00 0.11 0.00 0.00 31.00 31.97 1gqi h PRO 368 CO 0.53 0.13 -0.66 0.50 -0.21 0.00 0.00 178.00 178.30 1gqi s ARG 369 N -5.21 0.03 0.06 1.05 3.52 -1.26 -4.90 118.95 112.25 1gqi s ARG 369 Ca -0.07 0.26 0.04 0.00 -0.13 0.00 0.00 55.73 55.84 1gqi s ARG 369 Cb 0.21 -0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.39 1gqi s ARG 369 CO 0.76 -0.15 -0.12 -1.21 -0.81 0.00 0.00 175.30 173.78 1gqi s GLU 370 N 1.01 0.72 0.84 5.12 2.02 -1.26 -4.97 118.70 122.18 1gqi s GLU 370 Ca -0.08 -0.91 -0.10 0.00 0.02 0.00 0.00 54.97 53.89 1gqi s GLU 370 Cb -0.11 -0.61 0.10 0.00 0.10 0.00 0.00 34.13 33.61 1gqi s GLU 370 CO -0.04 0.13 1.11 -1.25 0.02 0.00 0.00 175.26 175.23 1gqi s PRO 371 N -1.81 1.69 0.53 0.39 0.04 -1.26 -4.87 135.00 129.71 1gqi s PRO 371 Ca -0.04 1.27 -0.22 0.00 0.04 0.00 0.00 61.00 62.06 1gqi s PRO 371 Cb -0.09 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1gqi s PRO 371 CO 0.01 -2.07 1.31 -0.59 0.04 0.00 0.00 177.00 175.70 1gqi s PHE 372 N -2.81 2.40 0.04 0.56 -0.12 -1.26 -4.21 117.98 112.59 1gqi s PHE 372 Ca 0.63 1.41 -0.30 0.00 -0.05 0.00 0.00 56.93 58.62 1gqi s PHE 372 Cb -0.19 -3.71 -0.08 0.00 -0.63 0.00 0.00 43.02 38.41 1gqi s PHE 372 CO 0.57 -2.60 1.70 -1.12 -0.05 0.00 0.00 175.22 173.71 1gqi s SER 373 N -1.06 6.59 0.53 1.98 0.01 -0.35 -4.72 113.70 116.68 1gqi s SER 373 Ca 0.70 2.47 0.19 0.00 1.31 0.00 0.00 55.95 60.62 1gqi s SER 373 Cb -0.38 -2.55 1.36 0.00 0.21 0.00 0.00 66.02 64.65 1gqi s SER 373 CO 0.45 -0.92 2.14 0.00 0.41 0.00 0.00 173.24 175.32 1gqi h ALA 374 N 8.81 2.00 -0.87 1.44 0.00 -1.91 -1.56 119.26 127.17 1gqi h ALA 374 Ca -0.43 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 54.64 1gqi h ALA 374 Cb 1.20 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1gqi h ALA 374 CO 0.94 -0.09 0.57 -0.07 0.00 0.00 0.00 179.25 180.60 1gqi h LEU 375 N 0.00 0.54 -1.76 0.00 3.38 -1.90 -1.61 115.31 113.97 1gqi h LEU 375 Ca 0.03 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1gqi h LEU 375 Cb 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1gqi h LEU 375 CO -0.00 0.25 -0.02 -0.26 0.09 0.00 0.00 178.44 178.50 1gqi h PHE 376 N 0.56 0.11 -0.00 1.13 0.04 -1.66 -1.34 116.94 115.78 1gqi h PHE 376 Ca 0.45 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.21 1gqi h PHE 376 Cb 0.88 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.00 1gqi h PHE 376 CO -0.00 0.15 -0.60 0.00 -0.60 0.00 0.00 178.31 177.25 1gqi n ALA 377 N -2.51 3.81 -0.10 2.45 0.00 -0.65 -4.48 120.51 119.03 1gqi n ALA 377 Ca -0.02 -0.42 -0.13 0.00 0.00 0.00 0.00 53.44 52.87 1gqi n ALA 377 Cb 0.15 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 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 1.49 -0.34 3.58 0.00 0.00 -0.80 -4.76 105.19 104.36 1gqi n GLY 378 Ca 0.06 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.40 3.40 0.00 1.61 -1.94 -0.57 -4.86 119.30 114.53 1gqi s MET 379 Ca -0.25 0.31 0.17 0.00 -1.71 0.00 0.00 55.69 54.21 1gqi s MET 379 Cb 0.07 -4.08 0.16 0.00 2.01 0.00 0.00 34.83 33.00 1gqi s MET 379 CO 0.49 -1.83 1.06 -1.13 -0.01 0.00 0.00 175.02 173.60 1gqi n SER 380 N 9.02 2.48 -0.48 3.03 3.41 -1.26 -4.48 113.62 125.34 1gqi n SER 380 Ca 0.10 -1.72 0.03 0.00 -0.26 0.00 0.00 58.87 57.02 1gqi n SER 380 Cb 0.49 -0.03 0.05 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.94 0.39 -4.07 4.33 1.74 -1.26 -4.66 116.66 114.07 1gqi n ARG 381 Ca 0.10 -1.57 -0.15 0.00 -0.77 0.00 0.00 57.85 55.47 1gqi n ARG 381 Cb 0.42 -0.76 -0.14 0.00 -1.02 0.00 0.00 32.46 30.97 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 -0.86 0.28 0.31 0.55 2.01 -1.26 -3.50 115.64 113.17 1gqi s THR 382 Ca 0.12 -0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.67 1gqi s THR 382 Cb 0.12 -0.25 -0.10 0.00 0.01 0.00 0.00 72.50 72.28 1gqi s THR 382 CO -0.01 0.07 1.28 0.20 -0.69 0.00 0.00 174.62 175.48 1gqi s ASN 383 N -0.10 6.84 0.10 3.53 0.01 -1.26 -4.95 114.94 119.11 1gqi s ASN 383 Ca 0.01 2.62 0.04 0.00 -0.71 0.00 0.00 52.86 54.82 1gqi s ASN 383 Cb -0.01 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1gqi s ASN 383 CO -0.00 -0.49 -0.11 -0.04 -1.51 0.00 0.00 177.10 174.95 1gqi s MET 384 N -1.61 0.88 0.01 -0.60 -1.94 -1.26 -0.70 119.30 114.09 1gqi s MET 384 Ca 0.49 -1.16 -0.10 0.00 -1.71 0.00 0.00 55.69 53.21 1gqi s MET 384 Cb -0.39 -0.62 0.01 0.00 2.01 0.00 0.00 34.83 35.84 1gqi s MET 384 CO 0.50 0.11 0.20 0.00 -0.01 0.00 0.00 175.02 175.82 1gqi s MET 385 N -2.69 0.61 0.21 2.03 0.23 -0.19 -4.17 119.30 115.34 1gqi s MET 385 Ca 0.06 -0.45 -0.14 0.00 -1.03 0.00 0.00 55.69 54.13 1gqi s MET 385 Cb -0.04 0.26 -0.08 0.00 -1.53 0.00 0.00 34.83 33.45 1gqi s MET 385 CO 0.01 -0.17 0.61 1.41 -2.03 0.00 0.00 175.02 174.86 1gqi s MET 386 N -1.86 3.99 -0.19 3.16 1.75 -1.04 -1.15 119.30 123.96 1gqi s MET 386 Ca -0.11 0.54 0.01 0.00 -1.25 0.00 0.00 55.69 54.88 1gqi s MET 386 Cb -0.04 -2.76 0.03 0.00 2.84 0.00 0.00 34.83 34.89 1gqi s MET 386 CO -0.00 0.37 -0.17 -2.00 -0.65 0.00 0.00 175.02 172.56 1gqi s GLU 387 N -2.36 2.75 0.16 4.11 2.12 0.13 -0.07 118.70 125.55 1gqi s GLU 387 Ca 0.44 -0.86 0.08 0.00 0.36 0.00 0.00 54.97 54.98 1gqi s GLU 387 Cb -0.13 -2.54 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 1gqi s GLU 387 CO 0.20 -0.27 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.54 1gqi s PHE 388 N 1.30 2.77 -0.19 5.30 2.99 -0.21 -2.41 117.98 127.54 1gqi s PHE 388 Ca 0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 56.93 56.75 1gqi s PHE 388 Cb -0.14 -1.36 -0.03 0.00 0.00 0.00 0.00 43.02 41.49 1gqi s PHE 388 CO -0.11 0.50 -0.00 -1.14 -0.00 0.00 0.00 175.22 174.47 1gqi s GLN 389 N -2.80 3.68 -0.26 0.44 0.74 -1.26 -0.79 119.66 119.41 1gqi s GLN 389 Ca 0.26 -0.50 -0.16 0.00 0.05 0.00 0.00 55.36 55.02 1gqi s GLN 389 Cb -0.09 -3.05 -0.13 0.00 1.10 0.00 0.00 33.01 30.83 1gqi s GLN 389 CO 0.17 0.11 -0.24 -0.89 -0.55 0.00 0.00 175.29 173.89 1gqi n ILE 390 N 3.95 1.53 -1.66 -2.34 -0.00 0.17 -4.89 119.36 116.12 1gqi n ILE 390 Ca -0.17 -0.29 -0.43 0.00 -0.00 0.00 0.00 62.75 61.86 1gqi n ILE 390 Cb 0.52 -1.94 -0.00 0.00 -0.00 0.00 0.00 39.64 38.22 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 -4.30 2.10 -2.12 1.39 5.66 -0.60 -4.83 114.28 111.58 1gqi n THR 391 Ca -0.48 -0.50 -0.39 0.00 -3.05 0.00 0.00 64.05 59.63 1gqi n THR 391 Cb 0.83 -1.36 -0.00 0.00 -1.55 0.00 0.00 70.33 68.24 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 0.50 4.61 -0.29 1.09 6.02 -1.26 -4.63 117.38 123.42 1gqi n GLN 392 Ca 0.07 -3.69 0.06 0.00 -0.01 0.00 0.00 57.00 53.43 1gqi n GLN 392 Cb 0.36 -2.55 0.28 0.00 1.02 0.00 0.00 30.24 29.35 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 4.34 0.91 -0.01 -1.09 4.81 -1.88 -0.07 114.58 121.59 1gqi h GLU 393 Ca 0.64 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 1gqi h GLU 393 Cb 0.33 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1gqi h GLU 393 CO 1.36 0.60 -0.01 0.66 -0.73 0.00 0.00 179.01 180.89 1gqi n TYR 394 N -4.51 0.00 -0.88 0.92 4.01 -1.26 -4.57 117.16 110.86 1gqi n TYR 394 Ca 0.15 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.97 1gqi n TYR 394 Cb 0.26 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.44 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 0.39 0.19 0.00 -0.72 3.72 -1.13 -4.81 117.46 115.10 1gqi n PHE 395 Ca 0.04 -0.89 0.00 0.00 -0.05 0.00 0.00 57.45 56.55 1gqi n PHE 395 Cb 0.19 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 -1.07 1.93 7.00 1.37 0.00 -1.11 -4.55 105.19 108.76 1gqi n GLY 396 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.02 0.00 -0.58 1.61 3.01 -0.06 -1.67 117.46 118.75 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 0.00 0.00 0.25 0.00 -0.01 0.00 0.00 39.48 39.72 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 11.87 2.72 0.23 4.37 0.00 -1.26 -4.44 120.51 133.99 1gqi n ALA 398 Ca 0.00 -1.66 0.06 0.00 0.00 0.00 0.00 53.44 51.84 1gqi n ALA 398 Cb 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 19.45 18.66 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 0.38 0.00 -4.18 0.00 -2.24 -0.67 -4.04 114.28 103.53 1gqi n THR 399 Ca 0.19 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 1gqi n THR 399 Cb 0.72 0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 69.40 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 -2.59 3.15 -0.34 4.78 3.76 -1.02 -4.09 115.29 118.93 1gqi s HIS 400 Ca -0.01 0.12 -0.21 0.00 -0.15 0.00 0.00 55.06 54.81 1gqi s HIS 400 Cb 0.09 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 32.10 1gqi s HIS 400 CO 0.52 0.50 0.65 -1.17 -0.85 0.00 0.00 174.74 174.39 1gqi s LEU 401 N -1.76 4.22 -0.45 0.89 0.20 -1.26 -4.87 118.68 115.64 1gqi s LEU 401 Ca 0.22 0.24 0.05 0.00 0.69 0.00 0.00 54.13 55.33 1gqi s LEU 401 Cb -0.12 -2.82 0.18 0.00 -0.43 0.00 0.00 46.19 43.00 1gqi s LEU 401 CO 0.13 -0.58 0.52 0.00 -0.29 0.00 0.00 176.35 176.14 1gqi s ALA 402 N 2.72 -0.47 0.11 5.97 0.00 -1.26 -4.78 121.76 124.05 1gqi s ALA 402 Ca 0.25 -1.30 -0.31 0.00 0.00 0.00 0.00 51.96 50.60 1gqi s ALA 402 Cb -0.14 -2.17 -0.10 0.00 0.00 0.00 0.00 23.12 20.70 1gqi s ALA 402 CO 0.14 -2.12 1.84 -0.47 0.00 0.00 0.00 175.76 175.16 1gqi s TYR 403 N 0.64 2.04 -1.84 0.00 5.04 -1.26 -4.86 117.35 117.11 1gqi s TYR 403 Ca 0.29 -0.07 0.26 0.00 -2.44 0.00 0.00 57.07 55.11 1gqi s TYR 403 Cb -0.01 -4.18 0.67 0.00 0.35 0.00 0.00 41.96 38.79 1gqi s TYR 403 CO -0.11 -4.93 1.51 1.04 -1.34 0.00 0.00 175.55 171.73 1gqi n GLN 404 N 5.91 0.95 -0.24 4.97 1.13 -1.26 -4.14 117.38 124.70 1gqi n GLN 404 Ca 0.18 -0.60 0.05 0.00 -1.94 0.00 0.00 57.00 54.69 1gqi n GLN 404 Cb 0.39 -1.49 0.16 0.00 0.11 0.00 0.00 30.24 29.41 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 4.91 0.91 2.00 1.08 0.00 -1.88 -0.17 103.07 109.92 1gqi h GLY 405 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1gqi h GLY 405 CO 0.00 -0.24 -0.17 -2.55 0.00 0.00 0.00 176.54 173.58 1gqi h PRO 406 N 0.18 0.00 -0.18 4.80 0.11 -1.91 0.68 132.00 135.68 1gqi h PRO 406 Ca 0.40 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.42 1gqi h PRO 406 Cb 0.70 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 1gqi h PRO 406 CO -0.57 0.17 -0.26 1.25 -0.21 0.00 0.00 178.00 178.38 1gqi h LEU 407 N 0.00 0.55 -0.20 2.35 6.46 -1.34 -1.03 115.31 122.09 1gqi h LEU 407 Ca -0.00 -0.52 -0.02 0.00 -0.12 0.00 0.00 57.88 57.22 1gqi h LEU 407 Cb 0.34 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 1gqi h LEU 407 CO 0.02 0.96 0.05 -0.26 -0.62 0.00 0.00 178.44 178.59 1gqi h PHE 408 N 0.15 0.34 -0.35 1.25 0.04 -0.96 -1.74 116.94 115.67 1gqi h PHE 408 Ca 0.02 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.76 1gqi h PHE 408 Cb 0.84 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 1gqi h PHE 408 CO 0.09 0.43 0.22 1.49 -0.60 0.00 0.00 178.31 179.94 1gqi h GLU 409 N 0.15 0.43 -0.29 1.51 4.81 -0.89 -0.27 114.58 120.03 1gqi h GLU 409 Ca 0.06 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1gqi h GLU 409 Cb 0.26 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1gqi h GLU 409 CO -0.00 0.28 0.00 1.49 -0.73 0.00 0.00 179.01 180.05 1gqi h GLU 410 N 0.44 0.08 0.18 1.92 4.81 -1.04 0.12 114.58 121.11 1gqi h GLU 410 Ca 0.14 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1gqi h GLU 410 Cb -0.02 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1gqi h GLU 410 CO -0.05 0.06 -0.20 0.77 -0.73 0.00 0.00 179.01 178.85 1gqi h SER 411 N 0.09 -0.55 0.21 1.04 0.02 -0.99 -2.67 113.55 110.69 1gqi h SER 411 Ca 0.14 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1gqi h SER 411 Cb 0.18 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1gqi h SER 411 CO -0.23 -0.30 -0.24 -0.07 -1.14 0.00 0.00 176.83 174.85 1gqi h LEU 412 N -0.43 0.05 -1.71 5.07 3.38 -0.57 -1.95 115.31 119.15 1gqi h LEU 412 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1gqi h LEU 412 Cb 0.41 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1gqi h LEU 412 CO -0.06 0.30 0.00 0.29 0.09 0.00 0.00 178.44 179.05 1gqi n LYS 413 N -4.23 2.12 -2.11 1.13 5.02 -0.01 -1.00 118.16 119.07 1gqi n LYS 413 Ca -0.02 -1.69 -0.42 0.00 -2.02 0.00 0.00 58.31 54.16 1gqi n LYS 413 Cb 0.31 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.66 3.57 -0.06 -0.18 2.01 -0.73 -4.82 115.64 113.77 1gqi s THR 414 Ca 0.35 0.89 -0.30 0.00 0.31 0.00 0.00 61.69 62.94 1gqi s THR 414 Cb 0.20 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1gqi s THR 414 CO 0.29 -0.03 1.20 -0.70 -0.69 0.00 0.00 174.62 174.69 1gqi s GLU 415 N 2.97 4.35 -0.02 4.92 2.56 -1.26 -1.42 118.70 130.79 1gqi s GLU 415 Ca 0.68 1.67 0.20 0.00 0.00 0.00 0.00 54.97 57.52 1gqi s GLU 415 Cb -0.33 -3.57 -0.28 0.00 2.00 0.00 0.00 34.13 31.95 1gqi s GLU 415 CO 0.28 -0.46 0.54 0.25 -0.56 0.00 0.00 175.26 175.31 1gqi n THR 416 N 4.65 0.00 -1.60 -1.70 -2.24 -0.43 -4.96 114.28 108.01 1gqi n THR 416 Ca 0.11 -0.35 -0.19 0.00 -2.27 0.00 0.00 64.05 61.35 1gqi n THR 416 Cb 0.46 0.30 -0.08 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.00 -0.04 -0.21 4.78 8.25 -1.25 -4.53 115.22 120.21 1gqi n HIS 417 Ca -0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.46 1gqi n HIS 417 Cb 0.46 -3.28 0.13 0.00 1.12 0.00 0.00 29.99 28.42 1gqi n HIS 417 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1gqi h ALA 418 N 0.04 0.80 -1.45 -1.41 0.00 -1.86 -2.30 119.26 113.09 1gqi h ALA 418 Ca -0.40 0.12 -0.48 0.00 0.00 0.00 0.00 54.91 54.15 1gqi h ALA 418 Cb 1.26 0.13 -0.41 0.00 0.00 0.00 0.00 17.79 18.77 1gqi h ALA 418 CO 0.58 -0.26 -0.98 0.54 0.00 0.00 0.00 179.25 179.13 1gqi n ARG 419 N -5.07 2.10 0.00 0.00 1.74 -1.26 -5.04 116.66 109.13 1gqi n ARG 419 Ca 0.10 -3.86 0.00 0.00 -0.77 0.00 0.00 57.85 53.32 1gqi n ARG 419 Cb 0.33 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1gqi n ARG 419 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gqi n GLY 420 N -0.17 -2.08 3.75 -0.13 0.00 -0.87 -4.82 105.19 100.87 1gqi n GLY 420 Ca 0.23 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 1gqi n GLY 420 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gqi s GLU 421 N -0.02 3.11 0.00 1.61 2.02 -1.26 -2.95 118.70 121.21 1gqi s GLU 421 Ca 0.00 2.23 0.00 0.00 0.02 0.00 0.00 54.97 57.22 1gqi s GLU 421 Cb 0.00 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1gqi s GLU 421 CO 0.00 -1.21 0.00 0.41 0.02 0.00 0.00 175.26 174.48 1gqi n GLY 422 N 0.73 0.68 2.45 -1.39 0.00 -1.26 -4.97 105.19 101.43 1gqi n GLY 422 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 7.66 -4.79 1.61 7.64 -1.15 -4.82 113.62 119.77 1gqi n SER 423 Ca 0.00 -3.09 -0.31 0.00 1.01 0.00 0.00 58.87 56.48 1gqi n SER 423 Cb 0.00 -1.35 0.06 0.00 -1.01 0.00 0.00 64.21 61.91 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 -1.07 3.68 0.24 0.44 -4.23 -1.26 -1.31 115.64 112.12 1gqi s THR 424 Ca 0.57 0.58 -0.06 0.00 -1.18 0.00 0.00 61.69 61.60 1gqi s THR 424 Cb 0.23 -3.19 0.20 0.00 1.34 0.00 0.00 72.50 71.09 1gqi s THR 424 CO -0.12 -0.68 1.86 0.40 -0.54 0.00 0.00 174.62 175.54 1gqi h ILE 425 N -0.72 1.07 -0.63 2.99 1.08 -1.25 0.90 117.51 120.95 1gqi h ILE 425 Ca -0.44 -0.34 -0.07 0.00 -0.39 0.00 0.00 64.86 63.62 1gqi h ILE 425 Cb 1.22 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.95 1gqi h ILE 425 CO 0.54 0.18 0.11 1.23 -0.69 0.00 0.00 178.15 179.52 1gqi h GLY 426 N 0.98 1.11 1.65 5.37 0.00 -1.33 0.08 103.07 110.93 1gqi h GLY 426 Ca 0.36 -0.72 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1gqi h GLY 426 CO -0.15 0.67 -0.20 3.43 0.00 0.00 0.00 176.54 180.29 1gqi h ASN 427 N 0.97 0.41 -0.17 0.19 2.35 -1.57 -0.31 115.58 117.45 1gqi h ASN 427 Ca 0.20 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1gqi h ASN 427 Cb 0.41 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1gqi h ASN 427 CO 0.01 0.63 0.05 0.40 -1.65 0.00 0.00 177.43 176.87 1gqi h ILE 428 N 0.38 1.18 -0.82 2.81 2.04 -0.29 -1.47 117.51 121.35 1gqi h ILE 428 Ca 0.06 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 1gqi h ILE 428 Cb 0.56 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1gqi h ILE 428 CO 0.04 0.18 0.50 -0.07 0.00 0.00 0.00 178.15 178.79 1gqi h LEU 429 N 0.09 0.97 -1.55 1.44 3.38 -0.67 -1.90 115.31 117.07 1gqi h LEU 429 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gqi h LEU 429 Cb 0.23 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1gqi h LEU 429 CO -0.00 0.74 0.00 -0.08 0.09 0.00 0.00 178.44 179.19 1gqi h GLU 430 N 1.12 0.00 0.00 1.13 4.81 -0.95 -3.40 114.58 117.29 1gqi h GLU 430 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1gqi h GLU 430 Cb -0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1gqi h GLU 430 CO -0.06 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.63 1gqi n GLY 431 N -0.16 0.90 0.21 1.92 0.00 -0.71 -4.97 105.19 102.38 1gqi n GLY 431 Ca 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1gqi n GLY 431 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gqi n LYS 432 N -2.18 0.83 -0.04 1.61 5.02 -0.58 -4.40 118.16 118.42 1gqi n LYS 432 Ca 0.00 -0.43 -0.08 0.00 -2.02 0.00 0.00 58.31 55.79 1gqi n LYS 432 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 1gqi n LYS 432 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1gqi n VAL 433 N -0.71 1.32 -4.54 -0.18 0.31 -1.24 -4.98 118.33 108.31 1gqi n VAL 433 Ca 0.13 0.17 -0.34 0.00 -0.01 0.00 0.00 64.34 64.29 1gqi n VAL 433 Cb 0.32 -1.99 -0.11 0.00 -0.91 0.00 0.00 33.84 31.14 1gqi n VAL 433 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1gqi s PHE 434 N -2.51 2.98 0.08 3.52 0.08 -1.26 -5.01 117.98 115.87 1gqi s PHE 434 Ca -0.19 -0.07 -0.31 0.00 0.12 0.00 0.00 56.93 56.49 1gqi s PHE 434 Cb 0.04 -1.79 -0.07 0.00 -0.57 0.00 0.00 43.02 40.62 1gqi s PHE 434 CO 0.27 0.23 1.42 0.15 -0.10 0.00 0.00 175.22 177.18 1gqi s LYS 435 N -0.45 4.30 0.24 0.44 1.02 -1.26 -4.66 119.74 119.36 1gqi s LYS 435 Ca 0.07 2.08 -0.00 0.00 0.02 0.00 0.00 55.97 58.14 1gqi s LYS 435 Cb -0.12 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 1gqi s LYS 435 CO 0.02 -0.50 0.21 -0.08 -0.92 0.00 0.00 175.35 174.08 1gqi s THR 436 N 1.56 0.00 -0.17 2.17 -1.32 -1.26 -4.87 115.64 111.75 1gqi s THR 436 Ca 0.65 -1.93 0.02 0.00 -1.21 0.00 0.00 61.69 59.22 1gqi s THR 436 Cb -0.36 -2.48 -0.11 0.00 -1.51 0.00 0.00 72.50 68.03 1gqi s THR 436 CO 0.30 0.00 -0.14 0.54 -2.21 0.00 0.00 174.62 173.10 1gqi n ARG 437 N -0.37 0.50 -4.28 7.08 5.12 -1.26 -4.99 116.66 118.46 1gqi n ARG 437 Ca 0.03 0.09 -0.28 0.00 -1.93 0.00 0.00 57.85 55.76 1gqi n ARG 437 Cb 0.65 -1.34 -0.17 0.00 -1.16 0.00 0.00 32.46 30.44 1gqi n ARG 437 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1gqi s HIS 438 N -2.34 1.89 0.17 -1.55 3.76 -1.26 -5.12 115.29 110.84 1gqi s HIS 438 Ca -0.22 -0.93 0.09 0.00 -0.15 0.00 0.00 55.06 53.85 1gqi s HIS 438 Cb 0.06 -1.40 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 1gqi s HIS 438 CO 0.40 -0.51 -0.20 0.95 -0.85 0.00 0.00 174.74 174.53 1gqi s THR 439 N 1.19 1.99 0.00 1.30 -4.23 -1.26 -4.10 115.64 110.52 1gqi s THR 439 Ca -0.03 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1gqi s THR 439 Cb -0.14 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1gqi s THR 439 CO -0.04 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1gqi n GLY 440 N 0.30 -0.52 3.24 3.99 0.00 -1.26 -0.94 105.19 110.01 1gqi n GLY 440 Ca -0.13 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 1gqi n GLY 440 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1gqi s MET 441 N -2.00 0.51 -0.03 1.61 0.23 -0.25 -2.50 119.30 116.88 1gqi s MET 441 Ca 0.00 0.21 0.07 0.00 -1.03 0.00 0.00 55.69 54.94 1gqi s MET 441 Cb 0.00 0.24 -0.02 0.00 -1.53 0.00 0.00 34.83 33.52 1gqi s MET 441 CO 0.00 -0.10 -0.23 0.00 -2.03 0.00 0.00 175.02 172.65 1gqi s ALA 442 N -0.43 2.28 -0.12 3.16 0.00 0.90 -1.33 121.76 126.22 1gqi s ALA 442 Ca -0.05 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.82 1gqi s ALA 442 Cb -0.04 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.46 1gqi s ALA 442 CO 0.02 0.54 -0.12 0.20 0.00 0.00 0.00 175.76 176.40 1gqi s GLY 443 N -0.65 0.96 -0.77 0.00 0.00 -0.35 -1.05 107.32 105.46 1gqi s GLY 443 Ca 0.10 -0.68 -0.25 0.00 0.00 0.00 0.00 44.72 43.90 1gqi s GLY 443 CO -0.01 0.51 1.20 0.14 0.00 0.00 0.00 173.10 174.95 1gqi s VAL 444 N 1.36 3.99 -0.13 1.40 1.01 0.03 -0.65 120.40 127.41 1gqi s VAL 444 Ca 0.00 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1gqi s VAL 444 Cb -0.14 -4.86 -0.23 0.00 0.00 0.00 0.00 36.38 31.15 1gqi s VAL 444 CO -0.06 -1.73 0.33 2.30 0.00 0.00 0.00 175.10 175.94 1gqi n ILE 445 N 6.26 1.60 -4.29 2.22 -5.35 -0.81 -0.66 119.36 118.33 1gqi n ILE 445 Ca 0.06 -0.74 -0.32 0.00 -0.27 0.00 0.00 62.75 61.49 1gqi n ILE 445 Cb 0.48 -1.17 -0.08 0.00 -1.74 0.00 0.00 39.64 37.12 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 -3.14 0.34 -4.03 7.28 5.03 -1.24 -3.97 115.26 115.52 1gqi n ASN 446 Ca -0.29 -1.23 -0.30 0.00 0.87 0.00 0.00 54.58 53.64 1gqi n ASN 446 Cb 1.06 -1.85 0.22 0.00 -1.02 0.00 0.00 39.78 38.19 1gqi n ASN 446 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1gqi s PRO 447 N -7.23 -0.62 0.00 3.52 0.04 -1.26 -4.39 135.00 125.06 1gqi s PRO 447 Ca 0.11 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1gqi s PRO 447 Cb -0.07 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1gqi s PRO 447 CO 0.98 -3.32 0.00 0.41 0.04 0.00 0.00 177.00 175.11 1gqi n GLY 448 N -1.43 2.67 0.00 0.56 0.00 -0.46 -4.66 105.19 101.87 1gqi n GLY 448 Ca 0.12 -1.03 0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 0.18 -1.60 2.61 -2.24 -0.08 -4.34 114.28 108.81 1gqi n THR 449 Ca 0.00 0.04 -0.39 0.00 -2.27 0.00 0.00 64.05 61.43 1gqi n THR 449 Cb 0.00 -0.68 0.03 0.00 -2.10 0.00 0.00 70.33 67.59 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 -1.17 0.80 -0.26 3.42 9.92 -0.57 -4.83 116.55 123.86 1gqi n ASP 450 Ca 0.13 0.89 0.12 0.00 -0.53 0.00 0.00 54.79 55.41 1gqi n ASP 450 Cb 0.14 -1.36 0.39 0.00 -0.64 0.00 0.00 41.12 39.65 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 0.89 0.65 -0.64 -1.24 9.65 -1.89 -0.37 114.38 121.44 1gqi h ARG 451 Ca -0.47 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1gqi h ARG 451 Cb 1.36 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 1gqi h ARG 451 CO 0.53 0.43 0.00 0.27 2.80 0.00 0.00 179.97 184.00 1gqi n ASN 452 N -4.55 4.15 0.00 -3.80 6.94 -1.25 -3.42 115.26 113.33 1gqi n ASN 452 Ca 0.17 -2.40 0.00 0.00 -0.02 0.00 0.00 54.58 52.33 1gqi n ASN 452 Cb 0.47 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 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 0.90 0.00 0.02 -2.53 7.02 -0.15 -4.43 117.44 118.27 1gqi n TRP 453 Ca 0.22 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.70 1gqi n TRP 453 Cb 0.79 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.68 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 -1.36 114.28 108.43 1gqi n THR 454 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1gqi n THR 454 Cb 0.00 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 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 0.32 2.35 3.69 3.38 0.00 -1.26 -4.54 105.19 109.13 1gqi n GLY 455 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 3.53 0.41 1.61 5.65 -1.26 -4.94 115.29 120.30 1gqi s HIS 456 Ca 0.00 1.56 0.17 0.00 0.25 0.00 0.00 55.06 57.04 1gqi s HIS 456 Cb 0.00 -3.14 1.07 0.00 -1.18 0.00 0.00 32.58 29.32 1gqi s HIS 456 CO 0.00 -0.17 1.85 -1.35 -0.65 0.00 0.00 174.74 174.42 1gqi h PRO 457 N 7.05 0.41 0.00 2.88 0.11 -1.91 -1.85 132.00 138.69 1gqi h PRO 457 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1gqi h PRO 457 Cb 1.16 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1gqi h PRO 457 CO 0.83 0.27 0.00 1.19 -0.21 0.00 0.00 178.00 180.08 1gqi n PHE 458 N -4.52 0.21 0.24 0.65 3.01 -1.26 -2.03 117.46 113.76 1gqi n PHE 458 Ca 0.19 0.06 0.09 0.00 1.01 0.00 0.00 57.45 58.81 1gqi n PHE 458 Cb 0.69 -0.60 0.62 0.00 -0.01 0.00 0.00 39.48 40.18 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 0.87 -0.93 -4.37 2.07 -1.65 -1.89 116.25 110.35 1gqi h VAL 459 Ca 0.00 -0.55 0.13 0.00 0.82 0.00 0.00 66.70 67.09 1gqi h VAL 459 Cb 0.51 1.32 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 1gqi h VAL 459 CO 0.00 0.14 0.60 1.56 0.02 0.00 0.00 177.57 179.89 1gqi h GLN 460 N 0.00 0.82 -0.19 1.57 4.20 -1.56 -1.57 115.11 118.37 1gqi h GLN 460 Ca -0.00 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1gqi h GLN 460 Cb 0.31 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1gqi h GLN 460 CO 0.02 0.54 -0.12 0.66 -0.67 0.00 0.00 178.83 179.26 1gqi h SER 461 N 0.84 0.29 -0.18 1.46 4.64 -1.51 -0.44 113.55 118.66 1gqi h SER 461 Ca 0.46 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.62 1gqi h SER 461 Cb 0.58 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1gqi h SER 461 CO -0.23 0.44 -0.29 0.28 -0.87 0.00 0.00 176.83 176.17 1gqi h SER 462 N 0.29 0.58 -0.62 4.97 0.02 -1.34 -0.97 113.55 116.48 1gqi h SER 462 Ca 0.06 -0.53 0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1gqi h SER 462 Cb 0.40 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1gqi h SER 462 CO 0.02 0.99 0.41 -0.25 -1.14 0.00 0.00 176.83 176.86 1gqi h TRP 463 N 0.18 0.78 0.21 3.45 2.91 -1.15 -1.07 115.95 121.25 1gqi h TRP 463 Ca 0.02 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1gqi h TRP 463 Cb 0.88 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 29.24 1gqi h TRP 463 CO 0.09 0.49 -0.22 -0.92 -1.03 0.00 0.00 178.44 176.86 1gqi h TYR 464 N 0.84 -0.58 -0.80 2.65 3.20 -1.00 -2.20 116.97 119.09 1gqi h TYR 464 Ca 0.23 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1gqi h TYR 464 Cb -0.09 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 1gqi h TYR 464 CO -0.03 -0.32 0.49 0.00 -1.64 0.00 0.00 178.16 176.65 1gqi h ALA 465 N 0.25 1.02 -0.26 1.82 0.00 -1.04 -1.11 119.26 119.95 1gqi h ALA 465 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1gqi h ALA 465 Cb 0.44 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1gqi h ALA 465 CO -0.06 0.48 -0.10 0.35 0.00 0.00 0.00 179.25 179.93 1gqi h PHE 466 N 1.10 -0.23 -0.54 0.00 3.57 -0.93 -0.10 116.94 119.82 1gqi h PHE 466 Ca 0.29 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.70 1gqi h PHE 466 Cb -0.05 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1gqi h PHE 466 CO -0.01 -0.16 -0.09 0.78 -2.23 0.00 0.00 178.31 176.61 1gqi h GLY 467 N -0.05 1.11 1.01 2.40 0.00 -0.94 0.43 103.07 107.02 1gqi h GLY 467 Ca 0.13 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 1gqi h GLY 467 CO -0.30 0.81 0.45 3.21 0.00 0.00 0.00 176.54 180.71 1gqi h ARG 468 N 0.90 1.02 0.00 4.80 2.47 -0.96 -2.18 114.38 120.44 1gqi h ARG 468 Ca 0.14 -0.10 -0.10 0.00 -1.26 0.00 0.00 59.98 58.67 1gqi h ARG 468 Cb 0.66 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1gqi h ARG 468 CO 0.05 0.73 -0.47 0.52 0.56 0.00 0.00 179.97 181.35 1gqi h MET 469 N 1.03 0.00 -0.32 0.04 2.86 -0.71 -0.26 114.93 117.56 1gqi h MET 469 Ca 0.27 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.84 1gqi h MET 469 Cb -0.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1gqi h MET 469 CO -0.05 0.47 -0.10 0.00 1.06 0.00 0.00 176.91 178.29 1gqi h ALA 470 N 1.53 1.22 -0.10 6.32 0.00 -0.67 -1.97 119.26 125.59 1gqi h ALA 470 Ca -0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1gqi h ALA 470 Cb 1.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1gqi h ALA 470 CO 0.06 0.51 -0.39 2.35 0.00 0.00 0.00 179.25 181.78 1gqi h TRP 471 N 0.51 0.58 -2.61 0.00 2.91 -0.89 -3.34 115.95 113.11 1gqi h TRP 471 Ca 0.09 -0.24 -0.41 0.00 1.13 0.00 0.00 58.89 59.46 1gqi h TRP 471 Cb 0.49 -0.09 -0.37 0.00 -0.51 0.00 0.00 29.16 28.67 1gqi h TRP 471 CO 0.02 0.99 -0.70 0.34 -1.03 0.00 0.00 178.44 178.06 1gqi s ASP 472 N -6.50 2.28 0.00 2.65 -1.08 -0.15 -0.66 116.67 113.21 1gqi s ASP 472 Ca -0.13 -0.75 0.15 0.00 -0.52 0.00 0.00 52.55 51.30 1gqi s ASP 472 Cb 0.05 0.08 0.76 0.00 -1.46 0.00 0.00 42.92 42.34 1gqi s ASP 472 CO 0.80 -0.38 1.42 0.00 0.52 0.00 0.00 175.17 177.53 1gqi n HIS 473 N 5.29 0.00 1.22 -5.34 1.44 -0.75 -1.41 115.22 115.67 1gqi n HIS 473 Ca -0.05 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.79 1gqi n HIS 473 Cb 0.46 -0.30 0.29 0.00 0.12 0.00 0.00 29.99 30.56 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 -1.30 1.64 -2.00 -1.40 6.02 -1.26 -4.80 117.38 114.27 1gqi n GLN 474 Ca 0.07 -1.17 -0.41 0.00 -0.01 0.00 0.00 57.00 55.48 1gqi n GLN 474 Cb 0.12 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 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 -2.17 2.61 0.51 5.09 1.01 -0.50 -4.97 121.20 122.78 1gqi s ILE 475 Ca 0.29 0.53 -0.10 0.00 0.00 0.00 0.00 60.65 61.37 1gqi s ILE 475 Cb 0.20 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 1gqi s ILE 475 CO 0.40 0.09 0.89 -0.94 0.00 0.00 0.00 174.94 175.38 1gqi s SER 476 N 0.25 6.38 0.32 3.58 1.04 -1.26 -4.90 113.70 119.10 1gqi s SER 476 Ca 0.58 1.23 0.00 0.00 0.48 0.00 0.00 55.95 58.25 1gqi s SER 476 Cb -0.42 -2.38 0.54 0.00 0.10 0.00 0.00 66.02 63.86 1gqi s SER 476 CO 0.45 -0.62 1.96 0.00 0.98 0.00 0.00 173.24 176.02 1gqi h ALA 477 N 0.44 1.50 -0.35 5.32 0.00 -1.94 -1.83 119.26 122.40 1gqi h ALA 477 Ca -0.46 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1gqi h ALA 477 Cb 1.19 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1gqi h ALA 477 CO 0.62 0.43 0.08 0.00 0.00 0.00 0.00 179.25 180.38 1gqi h ALA 478 N 1.53 0.47 -0.41 0.00 0.00 -1.95 -0.52 119.26 118.38 1gqi h ALA 478 Ca 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1gqi h ALA 478 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1gqi h ALA 478 CO -0.09 0.15 0.26 1.15 0.00 0.00 0.00 179.25 180.72 1gqi h THR 479 N 0.42 1.11 -0.62 0.00 2.02 -1.85 -0.32 112.91 113.67 1gqi h THR 479 Ca 0.11 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 1gqi h THR 479 Cb 0.32 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1gqi h THR 479 CO 0.00 0.11 0.16 0.00 0.37 0.00 0.00 175.52 176.16 1gqi h ALA 480 N 1.13 1.11 -0.49 6.16 0.00 -1.26 -1.92 119.26 124.00 1gqi h ALA 480 Ca 0.15 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1gqi h ALA 480 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1gqi h ALA 480 CO -0.03 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 179.79 1gqi h ALA 481 N 1.25 0.66 -0.21 0.00 0.00 -0.71 -0.79 119.26 119.46 1gqi h ALA 481 Ca 0.20 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1gqi h ALA 481 Cb 0.32 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1gqi h ALA 481 CO -0.00 0.49 0.11 0.22 0.00 0.00 0.00 179.25 180.07 1gqi h ASP 482 N 0.73 0.17 -0.02 0.00 3.58 -0.73 -0.02 116.42 120.14 1gqi h ASP 482 Ca 0.13 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.60 1gqi h ASP 482 Cb 0.56 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 1gqi h ASP 482 CO 0.03 0.13 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.15 1gqi h GLU 483 N 0.23 -0.06 -0.74 0.28 5.08 -1.22 -2.30 114.58 115.86 1gqi h GLU 483 Ca 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1gqi h GLU 483 Cb 0.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1gqi h GLU 483 CO -0.05 -0.04 0.33 2.35 -1.00 0.00 0.00 179.01 180.60 1gqi h TRP 484 N -0.06 1.08 -0.57 4.33 7.01 -0.89 -1.03 115.95 125.82 1gqi h TRP 484 Ca 0.02 -0.06 -0.06 0.00 2.11 0.00 0.00 58.89 60.90 1gqi h TRP 484 Cb 0.09 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 26.80 1gqi h TRP 484 CO -0.12 0.81 0.13 -0.07 -2.79 0.00 0.00 178.44 176.40 1gqi h LEU 485 N 1.04 0.87 -0.67 0.65 3.38 -0.90 0.10 115.31 119.79 1gqi h LEU 485 Ca 0.25 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1gqi h LEU 485 Cb 0.16 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1gqi h LEU 485 CO -0.03 0.88 0.22 0.03 0.09 0.00 0.00 178.44 179.63 1gqi h ARG 486 N 0.83 1.03 -0.01 1.13 3.08 -1.05 0.86 114.38 120.24 1gqi h ARG 486 Ca 0.18 -0.22 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 1gqi h ARG 486 Cb 0.35 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1gqi h ARG 486 CO 0.00 0.89 -0.79 0.52 -1.07 0.00 0.00 179.97 179.52 1gqi h MET 487 N 0.97 0.16 0.05 0.04 2.86 -0.92 -3.32 114.93 114.78 1gqi h MET 487 Ca 0.22 -0.16 -0.36 0.00 -2.06 0.00 0.00 59.70 57.34 1gqi h MET 487 Cb 0.29 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1gqi h MET 487 CO -0.01 0.87 -2.11 2.41 1.06 0.00 0.00 176.91 179.13 1gqi n THR 488 N -3.70 1.63 0.06 2.22 -1.04 0.33 -4.31 114.28 109.46 1gqi n THR 488 Ca -0.03 -0.69 0.00 0.00 -2.04 0.00 0.00 64.05 61.29 1gqi n THR 488 Cb 0.75 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 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 -3.25 -0.38 -3.60 -1.42 3.72 0.21 -5.02 117.46 107.73 1gqi n PHE 489 Ca -0.33 0.07 -0.09 0.00 -0.05 0.00 0.00 57.45 57.05 1gqi n PHE 489 Cb 1.05 0.09 -0.05 0.00 -0.94 0.00 0.00 39.48 39.63 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 -0.33 0.00 4.37 0.15 -0.66 -4.91 113.70 106.58 1gqi s SER 490 Ca 0.00 0.43 0.22 0.00 0.70 0.00 0.00 55.95 57.30 1gqi s SER 490 Cb 0.00 0.36 0.52 0.00 -1.71 0.00 0.00 66.02 65.19 1gqi s SER 490 CO 0.00 -0.26 1.45 0.59 1.20 0.00 0.00 173.24 176.22 1gqi n ASN 491 N 1.00 3.31 -4.67 5.45 3.02 -1.26 -3.73 115.26 118.39 1gqi n ASN 491 Ca -0.09 -1.97 -0.42 0.00 -0.03 0.00 0.00 54.58 52.07 1gqi n ASN 491 Cb 0.58 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.41 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 -1.39 4.20 0.45 3.52 -1.52 -1.26 -4.90 119.66 118.76 1gqi s GLN 492 Ca 0.40 2.19 0.12 0.00 -1.95 0.00 0.00 55.36 56.13 1gqi s GLN 492 Cb 0.22 -3.82 1.03 0.00 -0.22 0.00 0.00 33.01 30.23 1gqi s GLN 492 CO 0.31 -0.77 2.05 -1.35 -0.25 0.00 0.00 175.29 175.27 1gqi h PRO 493 N 8.95 0.35 0.00 2.91 0.11 -2.00 -1.30 132.00 141.03 1gqi h PRO 493 Ca -0.40 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 1gqi h PRO 493 Cb 1.18 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1gqi h PRO 493 CO 0.94 0.23 -0.14 0.00 -0.21 0.00 0.00 178.00 178.83 1gqi h ALA 494 N 1.78 1.05 0.05 -0.75 0.00 -2.01 -2.84 119.26 116.54 1gqi h ALA 494 Ca 0.17 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1gqi h ALA 494 Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1gqi h ALA 494 CO -0.04 0.17 -0.79 0.35 0.00 0.00 0.00 179.25 178.94 1gqi h PHE 495 N 0.00 0.17 -0.22 0.00 3.57 -1.67 -3.40 116.94 115.40 1gqi h PHE 495 Ca -0.00 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.41 1gqi h PHE 495 Cb 0.60 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 1gqi h PHE 495 CO 0.00 1.31 0.01 0.82 -2.23 0.00 0.00 178.31 178.21 1gqi h ILE 496 N -0.75 0.85 0.65 1.41 1.08 -1.12 -2.48 117.51 117.15 1gqi h ILE 496 Ca -0.19 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.23 1gqi h ILE 496 Cb 1.35 0.77 0.01 0.00 -3.07 0.00 0.00 36.82 35.87 1gqi h ILE 496 CO -0.02 0.01 -0.31 -0.08 -0.69 0.00 0.00 178.15 177.06 1gqi h GLU 497 N 0.08 -0.84 -0.55 2.37 4.57 -1.73 0.11 114.58 118.59 1gqi h GLU 497 Ca 0.10 0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.28 1gqi h GLU 497 Cb 0.12 0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1gqi h GLU 497 CO -0.17 -0.54 0.09 -1.00 -1.18 0.00 0.00 179.01 176.21 1gqi h PRO 498 N -0.92 0.88 -0.13 0.92 0.13 -1.76 -1.98 132.00 129.13 1gqi h PRO 498 Ca -0.09 -0.21 -0.14 0.00 -0.87 0.00 0.00 66.00 64.69 1gqi h PRO 498 Cb 0.68 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1gqi h PRO 498 CO 0.15 0.82 -0.54 0.28 -0.23 0.00 0.00 178.00 178.48 1gqi h VAL 499 N 0.83 1.34 -0.20 1.56 2.07 -1.37 -0.92 116.25 119.56 1gqi h VAL 499 Ca 0.17 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 1gqi h VAL 499 Cb 0.37 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1gqi h VAL 499 CO 0.01 0.55 0.09 0.50 0.02 0.00 0.00 177.57 178.74 1gqi h LYS 500 N 0.30 0.28 -0.44 1.57 3.64 -0.54 -0.56 116.57 120.83 1gqi h LYS 500 Ca 0.01 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1gqi h LYS 500 Cb 1.04 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1gqi h LYS 500 CO 0.09 0.31 0.09 1.96 -2.27 0.00 0.00 179.45 179.64 1gqi h GLN 501 N 0.19 0.66 -0.34 1.90 1.08 -1.15 0.01 115.11 117.45 1gqi h GLN 501 Ca 0.07 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1gqi h GLN 501 Cb 0.12 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1gqi h GLN 501 CO -0.01 0.61 0.22 1.98 -0.95 0.00 0.00 178.83 180.69 1gqi h MET 502 N 0.64 0.44 -0.63 1.46 4.05 -0.83 -1.40 114.93 118.66 1gqi h MET 502 Ca 0.14 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.50 1gqi h MET 502 Cb 0.26 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 1gqi h MET 502 CO -0.00 0.29 0.26 0.52 0.23 0.00 0.00 176.91 178.21 1gqi h MET 503 N 0.46 0.94 0.00 0.39 2.86 -0.61 -2.23 114.93 116.74 1gqi h MET 503 Ca 0.12 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 1gqi h MET 503 Cb -0.05 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 1gqi h MET 503 CO -0.03 0.78 -0.31 -0.07 1.06 0.00 0.00 176.91 178.34 1gqi h LEU 504 N 0.88 0.00 0.00 1.22 3.38 -0.51 -2.55 115.31 117.73 1gqi h LEU 504 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1gqi h LEU 504 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1gqi h LEU 504 CO -0.02 0.31 -0.63 1.62 0.09 0.00 0.00 178.44 179.81 1gqi h VAL 505 N 0.00 0.00 -0.76 1.22 3.04 -1.06 -3.40 116.25 115.29 1gqi h VAL 505 Ca -0.00 -0.91 0.03 0.00 -1.01 0.00 0.00 66.70 64.80 1gqi h VAL 505 Cb 0.64 1.59 -0.04 0.00 -2.01 0.00 0.00 31.29 31.46 1gqi h VAL 505 CO 0.04 0.00 0.50 0.77 -1.01 0.00 0.00 177.57 177.87 1gqi h SER 506 N 0.00 0.82 -0.07 3.17 4.64 -0.96 -0.25 113.55 120.90 1gqi h SER 506 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1gqi h SER 506 Cb 0.96 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1gqi h SER 506 CO 0.00 0.57 0.03 -0.09 -0.87 0.00 0.00 176.83 176.47 1gqi h ARG 507 N 0.96 0.07 -0.45 4.77 1.12 -1.73 -2.19 114.38 116.92 1gqi h ARG 507 Ca 0.30 -0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 59.10 1gqi h ARG 507 Cb 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 29.93 1gqi h ARG 507 CO -0.08 0.04 0.01 1.49 -3.11 0.00 0.00 179.97 178.32 1gqi h GLU 508 N 0.07 0.73 -0.69 0.20 4.57 -1.56 -1.28 114.58 116.62 1gqi h GLU 508 Ca 0.03 -0.18 0.04 0.00 -1.18 0.00 0.00 59.36 58.06 1gqi h GLU 508 Cb 0.01 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.46 1gqi h GLU 508 CO -0.02 0.73 0.42 0.00 -1.18 0.00 0.00 179.01 178.96 1gqi h ALA 509 N 1.33 0.90 -0.15 2.92 0.00 -0.88 0.69 119.26 124.07 1gqi h ALA 509 Ca 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1gqi h ALA 509 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1gqi h ALA 509 CO 0.02 0.17 -0.13 0.78 0.00 0.00 0.00 179.25 180.08 1gqi h GLY 510 N 0.81 0.25 0.72 0.00 0.00 -0.64 -1.76 103.07 102.45 1gqi h GLY 510 Ca 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1gqi h GLY 510 CO -0.12 0.14 -0.02 -2.08 0.00 0.00 0.00 176.54 174.46 1gqi h VAL 511 N 0.22 1.28 -0.55 4.60 2.07 -0.62 -3.25 116.25 120.00 1gqi h VAL 511 Ca 0.04 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1gqi h VAL 511 Cb 0.37 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1gqi h VAL 511 CO 0.02 0.25 0.21 0.78 0.02 0.00 0.00 177.57 178.85 1gqi h ASN 512 N -0.14 0.77 -0.71 0.57 -0.26 -0.03 0.82 115.58 116.60 1gqi h ASN 512 Ca 0.02 -0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.58 1gqi h ASN 512 Cb 0.40 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1gqi h ASN 512 CO 0.01 0.74 0.00 0.00 -1.06 0.00 0.00 177.43 177.12 1gqi n TYR 513 N -4.49 1.19 -0.10 1.19 0.18 -0.85 -3.28 117.16 110.99 1gqi n TYR 513 Ca 0.03 -0.54 -0.20 0.00 1.88 0.00 0.00 57.90 59.07 1gqi n TYR 513 Cb 0.17 -0.10 -0.07 0.00 -0.38 0.00 0.00 39.34 38.97 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 1.46 0.45 -2.70 -3.48 1.74 -0.98 -3.78 116.66 109.36 1gqi n ARG 514 Ca 0.25 0.19 -0.05 0.00 -0.77 0.00 0.00 57.85 57.48 1gqi n ARG 514 Cb 0.73 -1.26 0.05 0.00 -1.02 0.00 0.00 32.46 30.96 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 -4.03 -1.99 -4.53 0.55 3.41 0.25 -4.88 113.62 102.40 1gqi n SER 515 Ca -0.36 -1.94 -0.29 0.00 -0.26 0.00 0.00 58.87 56.02 1gqi n SER 515 Cb 0.71 1.08 0.14 0.00 -0.26 0.00 0.00 64.21 65.88 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 0.64 1.30 -1.27 4.33 0.04 -1.13 -4.17 135.00 134.74 1gqi s PRO 516 Ca 0.27 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1gqi s PRO 516 Cb 0.15 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1gqi s PRO 516 CO -0.11 -2.01 0.00 1.28 0.04 0.00 0.00 177.00 176.20 1gqi n LEU 517 N -3.55 -0.71 0.00 -3.56 4.77 -1.26 -1.42 117.00 111.28 1gqi n LEU 517 Ca 0.11 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1gqi n LEU 517 Cb 0.60 -2.19 0.00 0.00 -2.33 0.00 0.00 43.42 39.50 1gqi n LEU 517 CO 0.52 -0.79 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 1gqi n GLY 518 N -0.85 0.59 3.70 -0.72 0.00 -1.19 -1.08 105.19 105.65 1gqi n GLY 518 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 2.89 -0.02 0.99 1.43 -0.50 -3.45 118.68 120.01 1gqi s LEU 519 Ca 0.00 2.08 -0.29 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 41.78 1gqi s LEU 519 CO 0.00 -2.80 0.92 0.28 0.23 0.00 0.00 176.35 174.98 1gqi s THR 520 N -2.73 0.00 -1.24 5.49 -1.32 -1.26 -4.65 115.64 109.93 1gqi s THR 520 Ca 0.65 -0.03 -0.02 0.00 -1.21 0.00 0.00 61.69 61.08 1gqi s THR 520 Cb -0.21 -1.05 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 1gqi s THR 520 CO 0.57 0.00 1.03 1.57 -2.21 0.00 0.00 174.62 175.58 1gqi n HIS 521 N -0.24 -2.34 -0.42 9.09 -0.00 -1.26 -4.73 115.22 115.32 1gqi n HIS 521 Ca -0.08 0.95 0.09 0.00 -0.00 0.00 0.00 57.72 58.69 1gqi n HIS 521 Cb 0.61 -5.04 0.28 0.00 -0.00 0.00 0.00 29.99 25.84 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 -4.34 3.85 -4.81 0.27 4.77 -1.26 -4.11 117.00 111.36 1gqi n LEU 522 Ca -0.22 -2.19 -0.33 0.00 -0.03 0.00 0.00 56.01 53.24 1gqi n LEU 522 Cb 0.64 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1gqi n LEU 522 CO 0.62 0.84 0.71 -0.31 -1.33 0.00 0.00 177.39 177.93 1gqi s TYR 523 N -1.35 3.08 0.20 -1.77 1.51 -1.26 -0.23 117.35 117.54 1gqi s TYR 523 Ca 0.41 1.52 -0.32 0.00 -1.01 0.00 0.00 57.07 57.67 1gqi s TYR 523 Cb 0.24 -2.98 -0.13 0.00 -0.11 0.00 0.00 41.96 38.98 1gqi s TYR 523 CO 0.24 -0.88 1.51 0.45 -1.11 0.00 0.00 175.55 175.76 1gqi n SER 524 N -1.63 3.03 -4.72 2.29 2.88 0.20 -4.36 113.62 111.30 1gqi n SER 524 Ca 0.08 1.11 -0.35 0.00 -1.33 0.00 0.00 58.87 58.38 1gqi n SER 524 Cb 0.53 -1.44 -0.09 0.00 -0.75 0.00 0.00 64.21 62.46 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 0.26 3.06 0.00 -1.46 -1.52 -1.26 -1.01 119.66 117.73 1gqi s GLN 525 Ca 0.73 -0.36 0.22 0.00 -1.95 0.00 0.00 55.36 54.00 1gqi s GLN 525 Cb -0.65 -2.86 0.63 0.00 -0.22 0.00 0.00 33.01 29.91 1gqi s GLN 525 CO 0.43 0.72 1.53 0.41 -0.25 0.00 0.00 175.29 178.13 1gqi n GLY 526 N 2.09 2.36 0.16 3.09 0.00 -1.26 -4.91 105.19 106.72 1gqi n GLY 526 Ca -0.19 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.00 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 4.21 0.27 -0.40 1.61 2.03 -1.96 -3.48 116.42 118.70 1gqi h ASP 527 Ca 0.00 -0.16 -0.17 0.00 -0.73 0.00 0.00 57.03 55.97 1gqi h ASP 527 Cb 0.96 -0.08 -0.07 0.00 -0.83 0.00 0.00 39.33 39.32 1gqi h ASP 527 CO 0.00 0.83 -0.16 1.41 -1.03 0.00 0.00 179.24 180.29 1gqi n HIS 528 N -3.85 0.00 -0.07 4.15 8.25 -0.18 -4.94 115.22 118.58 1gqi n HIS 528 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 1gqi n HIS 528 Cb 0.64 -1.83 -0.11 0.00 1.12 0.00 0.00 29.99 29.81 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 0.00 -0.30 4.41 3.20 -1.84 -3.44 116.97 119.00 1gqi h TYR 529 Ca -0.17 0.00 -0.63 0.00 3.14 0.00 0.00 58.73 61.06 1gqi h TYR 529 Cb 0.67 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.85 1gqi h TYR 529 CO 0.31 0.91 -0.38 0.20 -1.64 0.00 0.00 178.16 177.56 1gqi s GLY 530 N -4.20 2.71 0.38 1.82 0.00 -1.26 -4.84 107.32 101.92 1gqi s GLY 530 Ca -0.18 -0.67 -0.25 0.00 0.00 0.00 0.00 44.72 43.62 1gqi s GLY 530 CO 0.58 -2.07 1.09 2.56 0.00 0.00 0.00 173.10 175.25 1gqi s PRO 531 N -4.14 4.23 -0.45 2.90 0.04 -1.26 -0.63 135.00 135.69 1gqi s PRO 531 Ca 0.18 1.64 0.07 0.00 0.04 0.00 0.00 61.00 62.94 1gqi s PRO 531 Cb -0.01 -2.70 0.31 0.00 0.04 0.00 0.00 34.50 32.13 1gqi s PRO 531 CO 0.12 -0.11 1.00 0.00 0.04 0.00 0.00 177.00 178.04 1gqi n ALA 532 N 0.21 -0.43 0.48 8.56 0.00 0.68 -4.38 120.51 125.64 1gqi n ALA 532 Ca 0.04 -1.77 0.10 0.00 0.00 0.00 0.00 53.44 51.81 1gqi n ALA 532 Cb 0.48 -1.15 0.43 0.00 0.00 0.00 0.00 19.45 19.20 1gqi n ALA 532 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1gqi n PRO 533 N 0.65 0.12 0.00 0.00 -0.04 -1.12 -1.60 135.00 133.01 1gqi n PRO 533 Ca 0.10 0.32 0.15 0.00 -0.04 0.00 0.00 63.50 64.03 1gqi n PRO 533 Cb 0.67 -1.72 0.75 0.00 -0.04 0.00 0.00 33.50 33.16 1gqi n PRO 533 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1gqi n TRP 534 N -1.95 0.00 -1.66 0.54 2.14 -1.26 -4.22 117.44 111.04 1gqi n TRP 534 Ca 0.03 0.00 -0.49 0.00 2.07 0.00 0.00 57.50 59.11 1gqi n TRP 534 Cb 0.23 -0.23 -0.05 0.00 -0.81 0.00 0.00 31.31 30.45 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 -1.18 0.14 -3.90 -1.67 -1.04 -0.63 -4.79 114.28 101.20 1gqi n THR 535 Ca 0.15 -0.02 -0.11 0.00 -2.04 0.00 0.00 64.05 62.03 1gqi n THR 535 Cb 0.24 -1.40 -0.01 0.00 -1.82 0.00 0.00 70.33 67.33 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 3.97 -1.37 -4.00 8.00 4.64 -1.26 -1.85 116.55 124.68 1gqi n ASP 536 Ca 0.19 -2.53 -0.40 0.00 -1.38 0.00 0.00 54.79 50.67 1gqi n ASP 536 Cb 0.25 2.45 0.01 0.00 -1.04 0.00 0.00 41.12 42.79 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 -1.63 -3.56 -4.88 1.67 8.00 -1.26 -5.00 116.55 109.89 1gqi n ASP 537 Ca -0.02 -1.21 -0.21 0.00 0.71 0.00 0.00 54.79 54.06 1gqi n ASP 537 Cb 0.50 -2.17 -0.03 0.00 -0.02 0.00 0.00 41.12 39.40 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 -7.19 3.71 0.63 0.64 1.43 -1.26 -5.00 118.68 111.64 1gqi s LEU 538 Ca 0.40 -0.40 0.38 0.00 -1.03 0.00 0.00 54.13 53.48 1gqi s LEU 538 Cb -0.20 -2.34 2.16 0.00 0.03 0.00 0.00 46.19 45.84 1gqi s LEU 538 CO 0.94 -0.33 2.32 -0.65 0.23 0.00 0.00 176.35 178.86 1gqi h PRO 539 N 1.20 0.00 -4.61 1.29 0.11 -2.01 -3.38 132.00 124.60 1gqi h PRO 539 Ca -0.45 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.20 1gqi h PRO 539 Cb 1.25 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 32.05 1gqi h PRO 539 CO 0.58 0.00 -0.80 -0.98 -0.21 0.00 0.00 178.00 176.59 1gqi s ARG 540 N -4.37 1.15 0.43 1.05 1.70 -1.26 -5.02 118.95 112.63 1gqi s ARG 540 Ca -0.05 -0.34 0.09 0.00 -0.47 0.00 0.00 55.73 54.97 1gqi s ARG 540 Cb 0.14 -1.04 0.95 0.00 -0.57 0.00 0.00 34.95 34.43 1gqi s ARG 540 CO 0.47 0.10 2.07 0.00 -1.08 0.00 0.00 175.30 176.86 1gqi h ALA 541 N 6.53 1.76 0.00 7.88 0.00 -1.93 -1.57 119.26 131.94 1gqi h ALA 541 Ca -0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1gqi h ALA 541 Cb 1.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1gqi h ALA 541 CO 0.48 0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 1gqi n ASP 542 N -4.48 0.00 -0.06 0.00 5.75 -1.26 -1.56 116.55 114.93 1gqi n ASP 542 Ca 0.02 -0.97 0.11 0.00 -0.01 0.00 0.00 54.79 53.93 1gqi n ASP 542 Cb 0.07 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.17 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 -0.90 0.00 -2.28 2.11 8.01 -0.59 -4.99 117.44 118.79 1gqi n TRP 543 Ca 0.16 0.00 -0.26 0.00 -1.31 0.00 0.00 57.50 56.09 1gqi n TRP 543 Cb 0.07 -0.07 0.11 0.00 -2.01 0.00 0.00 31.31 29.42 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 -2.92 2.16 -0.15 -0.99 -4.23 -0.60 -4.96 115.64 103.95 1gqi s THR 544 Ca 0.11 -0.33 -0.13 0.00 -1.18 0.00 0.00 61.69 60.16 1gqi s THR 544 Cb 0.17 -2.84 -0.24 0.00 1.34 0.00 0.00 72.50 70.93 1gqi s THR 544 CO 0.78 0.00 0.33 0.00 -0.54 0.00 0.00 174.62 175.19 1gqi h ALA 545 N -0.84 0.35 -0.17 3.99 0.00 -1.52 -3.40 119.26 117.67 1gqi h ALA 545 Ca -0.41 -1.30 0.02 0.00 0.00 0.00 0.00 54.91 53.22 1gqi h ALA 545 Cb 1.28 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1gqi h ALA 545 CO 0.47 1.04 0.12 -0.39 0.00 0.00 0.00 179.25 180.49 1gqi h VAL 546 N -0.36 0.99 -0.97 0.00 -1.51 -1.63 -0.75 116.25 112.01 1gqi h VAL 546 Ca -0.39 -0.04 0.15 0.00 -1.23 0.00 0.00 66.70 65.19 1gqi h VAL 546 Cb 1.74 0.84 -0.08 0.00 -2.13 0.00 0.00 31.29 31.66 1gqi h VAL 546 CO -0.03 0.02 0.61 0.22 -1.23 0.00 0.00 177.57 177.17 1gqi h TYR 547 N 0.13 1.00 0.12 5.19 5.03 -1.80 -1.51 116.97 125.14 1gqi h TYR 547 Ca 0.07 0.03 -0.34 0.00 2.58 0.00 0.00 58.73 61.07 1gqi h TYR 547 Cb 0.13 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.08 1gqi h TYR 547 CO -0.00 0.35 -1.83 1.88 -1.32 0.00 0.00 178.16 177.24 1gqi h TYR 548 N 0.83 0.47 0.00 -3.82 0.05 -1.37 -3.40 116.97 109.73 1gqi h TYR 548 Ca 0.50 -0.35 -0.30 0.00 0.05 0.00 0.00 58.73 58.64 1gqi h TYR 548 Cb 0.68 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.35 1gqi h TYR 548 CO -0.00 1.60 -1.77 -2.39 -1.05 0.00 0.00 178.16 174.55 1gqi n HIS 549 N -3.45 0.92 -3.12 4.88 1.44 -1.05 -4.34 115.22 110.50 1gqi n HIS 549 Ca -0.26 0.33 -0.21 0.00 -2.01 0.00 0.00 57.72 55.57 1gqi n HIS 549 Cb 1.05 -1.17 0.00 0.00 0.12 0.00 0.00 29.99 30.00 1gqi n HIS 549 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1gqi n ARG 550 N -3.02 -3.48 -2.08 -1.40 1.74 -0.57 -0.59 116.66 107.25 1gqi n ARG 550 Ca -0.18 0.58 -0.41 0.00 -0.77 0.00 0.00 57.85 57.07 1gqi n ARG 550 Cb 1.06 -5.30 -0.02 0.00 -1.02 0.00 0.00 32.46 27.18 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 -2.92 3.53 0.33 7.54 0.00 -1.26 -4.48 121.76 124.49 1gqi s ALA 551 Ca 0.31 1.29 0.02 0.00 0.00 0.00 0.00 51.96 53.58 1gqi s ALA 551 Cb -0.16 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1gqi s ALA 551 CO 0.38 -0.68 0.38 -1.13 0.00 0.00 0.00 175.76 174.71 1gqi n SER 552 N 1.12 -1.03 0.29 0.00 3.41 0.16 -5.00 113.62 112.56 1gqi n SER 552 Ca 0.01 -2.95 0.15 0.00 -0.26 0.00 0.00 58.87 55.82 1gqi n SER 552 Cb 0.41 2.07 0.88 0.00 -0.26 0.00 0.00 64.21 67.32 1gqi n SER 552 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1gqi h LYS 553 N 0.00 0.00 0.00 4.33 3.64 -1.88 -3.11 116.57 119.55 1gqi h LYS 553 Ca -0.25 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.93 1gqi h LYS 553 Cb 1.15 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1gqi h LYS 553 CO 0.34 0.04 -2.13 0.25 -2.27 0.00 0.00 179.45 175.68 1gqi n THR 554 N -3.67 0.83 -3.52 1.00 -2.24 -1.26 -4.82 114.28 100.60 1gqi n THR 554 Ca -0.02 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1gqi n THR 554 Cb 0.14 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 1.52 0.89 3.40 3.38 0.00 -1.17 -1.92 105.19 111.29 1gqi n GLY 555 Ca -0.19 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.24 0.03 0.00 -0.61 2.07 -0.48 -0.67 121.20 119.30 1gqi s ILE 556 Ca 0.00 -0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.03 1gqi s ILE 556 Cb 0.00 -0.97 0.00 0.00 0.13 0.00 0.00 42.46 41.62 1gqi s ILE 556 CO 0.00 -0.12 0.00 0.61 -1.91 0.00 0.00 174.94 173.52 1gqi n GLY 557 N 0.45 2.19 3.02 1.50 0.00 0.24 -0.74 105.19 111.85 1gqi n GLY 557 Ca -0.18 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.38 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 -1.87 2.20 -0.53 1.61 2.19 -0.92 -4.32 117.98 116.33 1gqi s PHE 558 Ca 0.00 -1.25 -0.28 0.00 0.33 0.00 0.00 56.93 55.73 1gqi s PHE 558 Cb 0.00 -1.61 0.02 0.00 -1.31 0.00 0.00 43.02 40.12 1gqi s PHE 558 CO 0.00 -0.68 1.29 1.21 1.83 0.00 0.00 175.22 178.88 1gqi s ASN 559 N 1.48 6.36 -0.10 6.13 2.47 -1.26 -2.12 114.94 127.90 1gqi s ASN 559 Ca 0.05 0.35 0.13 0.00 0.42 0.00 0.00 52.86 53.81 1gqi s ASN 559 Cb -0.13 -2.55 0.31 0.00 -1.45 0.00 0.00 41.25 37.43 1gqi s ASN 559 CO -0.11 -1.51 1.22 0.54 -3.72 0.00 0.00 177.10 173.52 1gqi n ARG 560 N 8.35 2.41 -1.49 0.43 1.74 0.05 -1.52 116.66 126.63 1gqi n ARG 560 Ca 0.12 -2.35 -0.23 0.00 -0.77 0.00 0.00 57.85 54.61 1gqi n ARG 560 Cb 0.49 -1.46 0.16 0.00 -1.02 0.00 0.00 32.46 30.63 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 -0.62 0.00 0.13 0.55 -2.24 -1.22 -1.87 114.28 109.01 1gqi n THR 561 Ca 0.14 -0.77 0.19 0.00 -2.27 0.00 0.00 64.05 61.33 1gqi n THR 561 Cb 0.60 -1.60 0.77 0.00 -2.10 0.00 0.00 70.33 68.01 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 0.56 116.57 115.96 1gqi h LYS 562 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1gqi h LYS 562 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1gqi h LYS 562 CO 0.24 0.00 -0.12 0.25 -0.57 0.00 0.00 179.45 179.25 1gqi n THR 563 N -3.87 0.00 0.00 -0.16 -2.24 -1.26 -4.70 114.28 102.05 1gqi n THR 563 Ca 0.05 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1gqi n THR 563 Cb 0.48 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.25 2.29 0.05 3.38 0.00 0.02 -4.99 105.19 107.20 1gqi n GLY 564 Ca 0.16 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 0.36 -2.96 1.61 3.41 -0.57 -4.86 113.62 110.61 1gqi n SER 565 Ca 0.00 0.55 -0.20 0.00 -0.26 0.00 0.00 58.87 58.96 1gqi n SER 565 Cb 0.00 -0.64 0.01 0.00 -0.26 0.00 0.00 64.21 63.32 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 -1.86 -4.77 0.28 4.04 5.15 -0.25 -4.86 115.26 112.99 1gqi n ASN 566 Ca 0.05 -0.19 0.13 0.00 -0.60 0.00 0.00 54.58 53.97 1gqi n ASN 566 Cb 0.32 -3.93 0.82 0.00 -0.53 0.00 0.00 39.78 36.46 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 0.99 1.54 -0.01 5.20 0.00 -1.63 -2.03 119.26 123.32 1gqi h ALA 567 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1gqi h ALA 567 Cb 1.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1gqi h ALA 567 CO 0.51 0.05 0.01 -0.07 0.00 0.00 0.00 179.25 179.74 1gqi h LEU 568 N 0.00 0.00 -0.04 0.00 3.38 -1.70 -0.70 115.31 116.24 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 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1gqi h LEU 568 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1gqi n ALA 569 N -2.42 1.47 0.91 1.53 0.00 -0.76 -1.52 120.51 119.72 1gqi n ALA 569 Ca -0.03 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1gqi n ALA 569 Cb 0.09 -1.18 0.52 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.54 0.06 -3.58 0.00 6.02 -0.27 -4.85 117.38 113.22 1gqi n GLN 570 Ca 0.02 0.05 -0.22 0.00 -0.01 0.00 0.00 57.00 56.84 1gqi n GLN 570 Cb 0.12 -1.57 -0.01 0.00 1.02 0.00 0.00 30.24 29.80 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 -3.03 3.37 0.68 1.08 2.02 -0.58 -4.88 117.35 116.01 1gqi s TYR 571 Ca 0.13 0.07 -0.17 0.00 -0.37 0.00 0.00 57.07 56.73 1gqi s TYR 571 Cb 0.17 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.90 1gqi s TYR 571 CO 0.57 0.16 1.26 -2.30 -1.57 0.00 0.00 175.55 173.67 1gqi n PRO 572 N -1.64 0.90 -0.27 -1.71 -0.02 -1.26 -4.60 135.00 126.40 1gqi n PRO 572 Ca -0.05 0.37 0.05 0.00 -2.02 0.00 0.00 63.50 61.85 1gqi n PRO 572 Cb 0.57 -2.50 0.18 0.00 -0.02 0.00 0.00 33.50 31.73 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 0.21 0.56 -0.10 -0.52 4.22 -1.92 -0.58 114.58 116.44 1gqi h GLU 573 Ca -0.50 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 58.87 1gqi h GLU 573 Cb 1.33 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1gqi h GLU 573 CO 0.51 0.37 -0.09 -1.35 -2.18 0.00 0.00 179.01 176.27 1gqi h PRO 574 N 0.57 0.15 -0.04 0.92 0.11 -1.92 0.12 132.00 131.92 1gqi h PRO 574 Ca 0.41 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.43 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 -0.34 0.26 -0.21 0.82 -0.21 0.00 0.00 178.00 178.32 1gqi h ILE 575 N 0.15 1.47 -0.99 4.15 1.08 -1.45 -1.84 117.51 120.08 1gqi h ILE 575 Ca 0.03 -1.70 0.11 0.00 -0.39 0.00 0.00 64.86 62.91 1gqi h ILE 575 Cb 0.26 2.47 -0.08 0.00 -3.07 0.00 0.00 36.82 36.40 1gqi h ILE 575 CO 0.01 0.47 0.63 0.00 -0.69 0.00 0.00 178.15 178.58 1gqi h ALA 576 N 0.38 1.52 -0.12 1.87 0.00 -0.86 -0.50 119.26 121.55 1gqi h ALA 576 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1gqi h ALA 576 Cb 0.88 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1gqi h ALA 576 CO 0.04 0.25 -0.08 -0.22 0.00 0.00 0.00 179.25 179.25 1gqi h LYS 577 N 1.01 0.26 -0.60 0.00 3.64 -0.77 -0.95 116.57 119.17 1gqi h LYS 577 Ca 0.48 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.66 1gqi h LYS 577 Cb 0.44 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1gqi h LYS 577 CO -0.24 0.63 0.07 0.00 -2.27 0.00 0.00 179.45 177.63 1gqi h ALA 578 N 0.63 0.80 0.00 5.00 0.00 -0.86 -2.87 119.26 121.96 1gqi h ALA 578 Ca 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1gqi h ALA 578 Cb 0.56 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1gqi h ALA 578 CO 0.02 0.58 -0.36 -1.49 0.00 0.00 0.00 179.25 178.00 1gqi h TRP 579 N 0.91 0.00 0.00 0.00 6.55 -1.12 -2.38 115.95 119.90 1gqi h TRP 579 Ca 0.18 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.02 1gqi h TRP 579 Cb 0.46 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.76 1gqi h TRP 579 CO 0.03 0.04 -0.50 0.78 -1.05 0.00 0.00 178.44 177.74 1gqi h GLY 580 N 3.96 0.00 -6.76 1.49 0.00 -0.99 -3.43 103.07 97.34 1gqi h GLY 580 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.71 1gqi h GLY 580 CO 0.00 0.00 -0.38 -0.35 0.00 0.00 0.00 176.54 175.81 1gqi s ASP 581 N -4.34 6.25 0.62 0.19 -1.08 -1.10 -4.96 116.67 112.25 1gqi s ASP 581 Ca 0.07 0.28 0.34 0.00 -0.52 0.00 0.00 52.55 52.72 1gqi s ASP 581 Cb 0.13 -2.16 1.97 0.00 -1.46 0.00 0.00 42.92 41.40 1gqi s ASP 581 CO 0.70 0.01 2.25 -0.07 0.52 0.00 0.00 175.17 178.58 1gqi h LEU 582 N 7.52 0.00 -0.48 -1.34 3.38 -1.88 -1.12 115.31 121.39 1gqi h LEU 582 Ca -0.37 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1gqi h LEU 582 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1gqi h LEU 582 CO 0.69 0.00 -0.10 -1.13 0.09 0.00 0.00 178.44 177.98 1gqi h ASN 583 N 0.00 0.00 0.00 -0.43 -1.24 -1.92 -3.35 115.58 108.64 1gqi h ASN 583 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1gqi h ASN 583 Cb 0.12 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.17 1gqi h ASN 583 CO -0.00 0.10 -0.62 -1.54 -1.29 0.00 0.00 177.43 174.08 1gqi n SER 584 N -3.15 3.10 -4.73 1.15 3.41 -0.63 -5.03 113.62 107.73 1gqi n SER 584 Ca 0.02 -0.16 -0.42 0.00 -0.26 0.00 0.00 58.87 58.05 1gqi n SER 584 Cb 0.49 0.95 -0.03 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 -1.57 2.44 0.27 -3.33 0.11 -0.52 -4.80 120.40 113.01 1gqi s VAL 585 Ca 0.00 0.34 -0.30 0.00 -2.93 0.00 0.00 61.98 59.09 1gqi s VAL 585 Cb 0.00 -3.22 -0.10 0.00 -1.53 0.00 0.00 36.38 31.53 1gqi s VAL 585 CO 0.00 0.04 1.45 -2.84 -3.33 0.00 0.00 175.10 170.42 1gqi s PRO 586 N 0.42 4.25 0.50 1.54 0.02 -1.26 -4.88 135.00 135.58 1gqi s PRO 586 Ca 0.66 2.35 0.15 0.00 0.02 0.00 0.00 61.00 64.19 1gqi s PRO 586 Cb -0.45 -3.08 1.20 0.00 0.02 0.00 0.00 34.50 32.19 1gqi s PRO 586 CO 0.38 -0.43 2.12 0.93 -0.33 0.00 0.00 177.00 179.66 1gqi h GLU 587 N 4.71 0.03 0.00 5.54 5.08 -1.96 -1.11 114.58 126.88 1gqi h GLU 587 Ca -0.47 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1gqi h GLU 587 Cb 1.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1gqi h GLU 587 CO 0.76 0.05 0.00 -0.40 -1.00 0.00 0.00 179.01 178.42 1gqi n ASP 588 N -4.50 0.00 0.00 1.42 5.68 -1.26 -2.59 116.55 115.30 1gqi n ASP 588 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1gqi n ASP 588 Cb 0.12 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 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 -1.26 0.97 -0.30 -2.12 4.77 -0.46 -3.16 117.00 115.44 1gqi n LEU 589 Ca 0.08 -0.97 -0.05 0.00 -0.03 0.00 0.00 56.01 55.04 1gqi n LEU 589 Cb 0.12 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1gqi n LEU 589 CO 0.12 0.24 1.10 -0.29 -1.33 0.00 0.00 177.39 177.23 1gqi h ILE 590 N 0.19 1.25 0.00 -0.08 2.10 -1.18 -0.93 117.51 118.86 1gqi h ILE 590 Ca 0.00 -0.70 0.00 0.00 1.08 0.00 0.00 64.86 65.24 1gqi h ILE 590 Cb 0.14 0.22 0.00 0.00 -1.09 0.00 0.00 36.82 36.09 1gqi h ILE 590 CO 0.00 0.30 0.00 0.18 -1.08 0.00 0.00 178.15 177.55 1gqi n LEU 591 N -4.35 0.00 0.22 2.19 4.77 -0.24 -1.71 117.00 117.88 1gqi n LEU 591 Ca 0.08 0.15 0.09 0.00 -0.03 0.00 0.00 56.01 56.30 1gqi n LEU 591 Cb 0.13 -0.15 0.46 0.00 -2.33 0.00 0.00 43.42 41.53 1gqi n LEU 591 CO 0.39 -0.02 0.80 -0.50 -1.33 0.00 0.00 177.39 176.73 1gqi h TRP 592 N 0.00 0.00 0.00 -1.77 4.06 -1.19 -2.46 115.95 114.60 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 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.29 1gqi h TRP 592 CO 0.00 0.25 -0.72 1.19 -3.56 0.00 0.00 178.44 175.59 1gqi n PHE 593 N -3.46 0.00 -4.69 0.49 3.72 -0.78 -4.45 117.46 108.29 1gqi n PHE 593 Ca -0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 1gqi n PHE 593 Cb 0.42 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.80 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 -1.53 1.46 -0.30 1.38 3.76 -0.69 -0.77 115.29 118.60 1gqi s HIS 594 Ca 0.00 -0.40 -0.15 0.00 -0.15 0.00 0.00 55.06 54.36 1gqi s HIS 594 Cb 0.00 -0.99 -0.03 0.00 1.11 0.00 0.00 32.58 32.67 1gqi s HIS 594 CO 0.00 -0.14 0.38 -1.58 -0.85 0.00 0.00 174.74 172.56 1gqi s HIS 595 N 0.07 3.23 0.04 1.40 2.46 -1.26 -3.06 115.29 118.17 1gqi s HIS 595 Ca -0.03 0.26 0.08 0.00 0.47 0.00 0.00 55.06 55.83 1gqi s HIS 595 Cb -0.10 -2.64 -0.03 0.00 -0.13 0.00 0.00 32.58 29.68 1gqi s HIS 595 CO 0.01 -0.32 -0.23 -0.51 -2.47 0.00 0.00 174.74 171.23 1gqi s LEU 596 N 2.09 2.16 0.57 8.88 1.43 0.09 -4.91 118.68 128.99 1gqi s LEU 596 Ca 0.14 -0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 52.52 1gqi s LEU 596 Cb -0.16 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1gqi s LEU 596 CO 0.11 0.20 1.14 -0.94 0.23 0.00 0.00 176.35 177.09 1gqi s SER 597 N -1.16 5.49 0.65 2.29 1.04 -1.26 -1.38 113.70 119.37 1gqi s SER 597 Ca 0.09 2.20 0.43 0.00 0.48 0.00 0.00 55.95 59.14 1gqi s SER 597 Cb -0.09 -2.58 2.26 0.00 0.10 0.00 0.00 66.02 65.71 1gqi s SER 597 CO 0.02 -1.38 2.31 -0.50 0.98 0.00 0.00 173.24 174.67 1gqi h TRP 598 N 0.93 0.00 -0.01 5.02 4.06 -1.73 -1.89 115.95 122.34 1gqi h TRP 598 Ca -0.50 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.45 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 0.51 0.00 -0.07 -0.25 -3.56 0.00 0.00 178.44 175.07 1gqi n ASP 599 N -3.10 0.84 -4.66 -3.49 8.00 -1.26 -2.10 116.55 110.78 1gqi n ASP 599 Ca -0.02 -1.04 -0.47 0.00 0.71 0.00 0.00 54.79 53.97 1gqi n ASP 599 Cb 0.11 -0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 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 -0.51 2.22 -3.24 1.24 -0.00 -0.71 -4.70 115.22 109.52 1gqi n HIS 600 Ca 0.18 0.26 -0.38 0.00 -0.00 0.00 0.00 57.72 57.77 1gqi n HIS 600 Cb 0.28 -2.54 -0.06 0.00 -0.00 0.00 0.00 29.99 27.67 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 1.46 4.36 0.74 1.57 0.52 -1.26 -0.72 118.95 125.62 1gqi s ARG 601 Ca 0.82 0.57 -0.05 0.00 -0.52 0.00 0.00 55.73 56.54 1gqi s ARG 601 Cb -0.71 -3.44 0.11 0.00 0.52 0.00 0.00 34.95 31.42 1gqi s ARG 601 CO 0.41 0.12 1.04 -1.64 0.02 0.00 0.00 175.30 175.25 1gqi s MET 602 N 0.71 1.76 0.48 3.54 -1.94 0.26 -4.94 119.30 119.17 1gqi s MET 602 Ca 0.29 -0.64 0.14 0.00 -1.71 0.00 0.00 55.69 53.77 1gqi s MET 602 Cb -0.16 -2.20 1.14 0.00 2.01 0.00 0.00 34.83 35.62 1gqi s MET 602 CO 0.12 -1.48 2.09 1.96 -0.01 0.00 0.00 175.02 177.71 1gqi h GLN 603 N -0.70 0.20 0.00 2.03 4.20 -1.98 -0.31 115.11 118.55 1gqi h GLN 603 Ca -0.41 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1gqi h GLN 603 Cb 1.28 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1gqi h GLN 603 CO 0.48 0.13 0.00 -1.13 -0.67 0.00 0.00 178.83 177.64 1gqi n SER 604 N -4.50 0.71 0.00 1.46 3.41 -1.26 -4.89 113.62 108.55 1gqi n SER 604 Ca 0.01 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1gqi n SER 604 Cb 0.16 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1gqi n SER 604 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gqi n GLY 605 N 0.03 1.84 3.79 5.00 0.00 -0.13 -5.06 105.19 110.66 1gqi n GLY 605 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.84 3.73 0.99 1.61 0.52 -1.26 -4.74 118.95 118.96 1gqi s ARG 606 Ca 0.00 1.39 -0.13 0.00 -0.52 0.00 0.00 55.73 56.47 1gqi s ARG 606 Cb 0.00 -2.08 0.18 0.00 0.52 0.00 0.00 34.95 33.57 1gqi s ARG 606 CO 0.00 -0.50 1.13 0.54 0.02 0.00 0.00 175.30 176.49 1gqi s ASN 607 N -1.97 2.79 0.24 0.23 2.20 -1.26 -0.58 114.94 116.59 1gqi s ASN 607 Ca 0.68 0.95 -0.05 0.00 -0.94 0.00 0.00 52.86 53.49 1gqi s ASN 607 Cb -0.17 -1.48 0.24 0.00 -2.00 0.00 0.00 41.25 37.84 1gqi s ASN 607 CO 0.21 -3.00 1.77 0.25 -2.94 0.00 0.00 177.10 173.40 1gqi h LEU 608 N -1.80 0.96 -0.22 3.54 5.85 -0.36 0.10 115.31 123.37 1gqi h LEU 608 Ca -0.51 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.03 1gqi h LEU 608 Cb 1.32 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1gqi h LEU 608 CO 0.56 0.91 0.14 -0.25 -0.34 0.00 0.00 178.44 179.46 1gqi h TRP 609 N 0.98 0.27 -0.63 1.25 2.91 -1.84 -0.30 115.95 118.60 1gqi h TRP 609 Ca 0.21 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.18 1gqi h TRP 609 Cb 0.31 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.85 1gqi h TRP 609 CO 0.02 0.17 0.17 1.96 -1.03 0.00 0.00 178.44 179.73 1gqi h GLN 610 N 0.30 0.97 -0.35 2.65 4.20 -1.72 -1.26 115.11 119.90 1gqi h GLN 610 Ca 0.08 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.50 1gqi h GLN 610 Cb -0.03 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1gqi h GLN 610 CO -0.02 0.86 -0.11 1.49 -0.67 0.00 0.00 178.83 180.37 1gqi h GLU 611 N 0.94 0.70 -0.21 1.46 4.57 -0.55 -0.23 114.58 121.27 1gqi h GLU 611 Ca 0.20 -0.28 0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1gqi h GLU 611 Cb 0.31 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 1gqi h GLU 611 CO -0.00 0.87 -0.07 1.25 -1.18 0.00 0.00 179.01 179.88 1gqi h LEU 612 N 0.49 -0.23 -0.33 1.64 6.46 -0.76 -0.03 115.31 122.54 1gqi h LEU 612 Ca 0.09 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1gqi h LEU 612 Cb 0.63 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.68 1gqi h LEU 612 CO 0.04 -0.09 0.17 0.58 -0.62 0.00 0.00 178.44 178.52 1gqi h VAL 613 N -0.02 0.99 -0.65 1.05 2.07 -1.13 -2.35 116.25 116.21 1gqi h VAL 613 Ca 0.10 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.57 1gqi h VAL 613 Cb 0.18 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1gqi h VAL 613 CO -0.23 0.06 0.34 -0.74 0.02 0.00 0.00 177.57 177.03 1gqi h HIS 614 N 0.35 0.62 -0.39 1.57 -0.00 -0.58 -1.36 115.15 115.36 1gqi h HIS 614 Ca 0.14 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.43 1gqi h HIS 614 Cb 0.04 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 1gqi h HIS 614 CO -0.09 0.28 -0.14 0.87 -0.00 0.00 0.00 177.93 178.84 1gqi h LYS 615 N 0.62 0.79 -0.35 5.26 1.79 -0.73 0.88 116.57 124.84 1gqi h LYS 615 Ca 0.30 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1gqi h LYS 615 Cb 0.23 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 1gqi h LYS 615 CO -0.20 0.94 0.20 1.88 -1.08 0.00 0.00 179.45 181.19 1gqi h TYR 616 N 0.60 0.46 -0.22 -1.35 -1.99 -1.09 -1.23 116.97 112.15 1gqi h TYR 616 Ca 0.09 -0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.73 1gqi h TYR 616 Cb 0.68 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.24 1gqi h TYR 616 CO 0.05 0.35 -0.25 1.88 -0.00 0.00 0.00 178.16 180.19 1gqi h TYR 617 N 0.44 0.46 -0.87 4.88 0.05 -1.15 -2.94 116.97 117.84 1gqi h TYR 617 Ca 0.12 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 1gqi h TYR 617 Cb 0.03 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 37.61 1gqi h TYR 617 CO -0.03 0.63 0.47 0.37 -1.05 0.00 0.00 178.16 178.55 1gqi h GLN 618 N 0.37 1.22 -0.75 4.88 4.15 -0.13 -1.64 115.11 123.21 1gqi h GLN 618 Ca 0.06 -0.15 0.03 0.00 0.77 0.00 0.00 58.65 59.36 1gqi h GLN 618 Cb 0.64 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 1gqi h GLN 618 CO 0.05 0.90 0.48 0.78 -1.93 0.00 0.00 178.83 179.10 1gqi h GLY 619 N 1.22 1.08 0.96 2.39 0.00 -1.07 0.17 103.07 107.83 1gqi h GLY 619 Ca 0.31 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1gqi h GLY 619 CO -0.05 0.32 0.11 -2.08 0.00 0.00 0.00 176.54 174.84 1gqi h VAL 620 N 0.94 1.24 -0.71 4.60 2.07 -1.44 -1.91 116.25 121.04 1gqi h VAL 620 Ca 0.30 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1gqi h VAL 620 Cb -0.01 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1gqi h VAL 620 CO -0.10 0.30 0.45 -0.33 0.02 0.00 0.00 177.57 177.91 1gqi h GLU 621 N 0.62 0.95 -0.69 1.57 4.39 -0.69 -0.88 114.58 119.86 1gqi h GLU 621 Ca 0.14 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 1gqi h GLU 621 Cb 0.33 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 1gqi h GLU 621 CO 0.00 0.64 0.20 1.96 -1.16 0.00 0.00 179.01 180.66 1gqi h GLN 622 N 0.97 1.08 -0.51 2.33 4.20 -0.19 -0.38 115.11 122.61 1gqi h GLN 622 Ca 0.26 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1gqi h GLN 622 Cb -0.08 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 1gqi h GLN 622 CO -0.05 0.94 0.27 0.28 -0.67 0.00 0.00 178.83 179.59 1gqi h VAL 623 N 1.01 1.19 -0.88 -0.54 2.07 -0.73 -0.80 116.25 117.58 1gqi h VAL 623 Ca 0.22 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1gqi h VAL 623 Cb 0.32 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1gqi h VAL 623 CO -0.00 0.20 0.51 0.03 0.02 0.00 0.00 177.57 178.33 1gqi h ARG 624 N 0.69 1.20 -0.50 1.57 3.08 -0.87 -0.77 114.38 118.77 1gqi h ARG 624 Ca 0.18 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1gqi h ARG 624 Cb 0.08 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1gqi h ARG 624 CO -0.03 0.85 -0.01 0.00 -1.07 0.00 0.00 179.97 179.72 1gqi h ALA 625 N 1.28 1.06 -0.95 0.04 0.00 -0.80 -1.97 119.26 117.92 1gqi h ALA 625 Ca 0.31 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gqi h ALA 625 Cb -0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1gqi h ALA 625 CO -0.06 0.59 0.59 0.52 0.00 0.00 0.00 179.25 180.90 1gqi h MET 626 N 0.77 1.28 -0.43 0.00 2.86 -0.23 -0.65 114.93 118.54 1gqi h MET 626 Ca 0.15 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1gqi h MET 626 Cb 0.47 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1gqi h MET 626 CO 0.02 0.88 0.28 1.96 1.06 0.00 0.00 176.91 181.11 1gqi h GLN 627 N 1.31 0.56 -0.48 1.72 4.20 -0.73 -0.54 115.11 121.15 1gqi h GLN 627 Ca 0.34 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.98 1gqi h GLN 627 Cb -0.09 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 1gqi h GLN 627 CO -0.07 0.38 0.18 0.00 -0.67 0.00 0.00 178.83 178.65 1gqi h ARG 628 N 0.57 0.74 -0.14 1.46 3.08 -0.98 -1.67 114.38 117.45 1gqi h ARG 628 Ca 0.16 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1gqi h ARG 628 Cb -0.05 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 1gqi h ARG 628 CO -0.03 0.68 -0.07 1.15 -1.07 0.00 0.00 179.97 180.62 1gqi h THR 629 N 0.65 0.78 -0.74 2.04 2.02 -0.87 -2.65 112.91 114.14 1gqi h THR 629 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1gqi h THR 629 Cb 0.23 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1gqi h THR 629 CO -0.01 0.00 0.44 -0.25 0.37 0.00 0.00 175.52 176.07 1gqi h TRP 630 N -0.06 0.99 -0.35 3.16 2.91 -0.85 -1.92 115.95 119.82 1gqi h TRP 630 Ca 0.08 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.17 1gqi h TRP 630 Cb 0.17 -0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 28.48 1gqi h TRP 630 CO -0.20 0.67 0.25 -0.44 -1.03 0.00 0.00 178.44 177.69 1gqi h ASP 631 N 1.02 0.12 0.23 2.65 3.32 -1.07 0.39 116.42 123.08 1gqi h ASP 631 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1gqi h ASP 631 Cb -0.02 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1gqi h ASP 631 CO -0.05 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.55 1gqi n GLN 632 N -4.46 0.53 -0.24 3.56 6.02 -0.72 -3.33 117.38 118.73 1gqi n GLN 632 Ca 0.05 0.04 0.10 0.00 -0.01 0.00 0.00 57.00 57.17 1gqi n GLN 632 Cb 0.33 -1.50 0.23 0.00 1.02 0.00 0.00 30.24 30.32 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 -1.15 2.55 -0.28 -1.09 1.13 0.13 -4.66 117.38 114.01 1gqi n GLN 633 Ca 0.14 -2.29 0.21 0.00 -1.94 0.00 0.00 57.00 53.12 1gqi n GLN 633 Cb 0.14 -1.45 0.51 0.00 0.11 0.00 0.00 30.24 29.55 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 3.58 0.39 0.00 -1.09 4.81 -1.69 -0.51 114.58 120.07 1gqi h GLU 634 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1gqi h GLU 634 Cb 0.88 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1gqi h GLU 634 CO 0.00 0.26 0.00 0.00 -0.73 0.00 0.00 179.01 178.54 1gqi h ALA 635 N 1.61 1.00 0.00 2.92 0.00 -1.90 -3.27 119.26 119.61 1gqi h ALA 635 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1gqi h ALA 635 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1gqi h ALA 635 CO -0.22 0.00 -0.92 0.66 0.00 0.00 0.00 179.25 178.76 1gqi n TYR 636 N -2.70 0.00 -4.59 0.00 4.01 -0.21 -4.98 117.16 108.69 1gqi n TYR 636 Ca 0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.46 1gqi n TYR 636 Cb 0.31 -0.06 -0.13 0.00 -0.31 0.00 0.00 39.34 39.15 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 -2.63 2.47 0.65 -0.72 1.01 -1.18 -4.77 120.40 115.23 1gqi s VAL 637 Ca 0.04 -1.46 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 1gqi s VAL 637 Cb 0.12 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1gqi s VAL 637 CO 0.67 0.23 1.28 -0.90 0.00 0.00 0.00 175.10 176.39 1gqi n ASP 638 N 1.30 2.01 -0.34 3.32 5.75 -1.26 -4.80 116.55 122.53 1gqi n ASP 638 Ca -0.17 0.82 0.02 0.00 -0.01 0.00 0.00 54.79 55.46 1gqi n ASP 638 Cb 0.52 -1.55 0.19 0.00 -1.03 0.00 0.00 41.12 39.25 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 0.49 1.42 0.16 2.12 0.00 -1.98 -1.14 119.26 120.32 1gqi h ALA 639 Ca -0.51 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1gqi h ALA 639 Cb 1.34 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1gqi h ALA 639 CO 0.53 0.45 -0.07 0.00 0.00 0.00 0.00 179.25 180.16 1gqi h ALA 640 N 1.46 -0.21 -0.16 0.00 0.00 -1.90 -1.23 119.26 117.23 1gqi h ALA 640 Ca 0.40 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1gqi h ALA 640 Cb 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1gqi h ALA 640 CO -0.14 -0.41 -0.27 0.00 0.00 0.00 0.00 179.25 178.43 1gqi h ARG 641 N -0.63 0.29 0.02 0.00 3.08 -1.77 -1.34 114.38 114.04 1gqi h ARG 641 Ca -0.02 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 59.94 1gqi h ARG 641 Cb 0.47 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1gqi h ARG 641 CO 0.04 0.55 -0.11 0.35 -1.07 0.00 0.00 179.97 179.72 1gqi h PHE 642 N 0.26 -0.28 -0.72 3.04 3.57 -1.11 -1.35 116.94 120.35 1gqi h PHE 642 Ca 0.04 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1gqi h PHE 642 Cb 0.62 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1gqi h PHE 642 CO 0.01 -0.17 0.30 0.00 -2.23 0.00 0.00 178.31 176.23 1gqi h ALA 643 N 0.75 1.17 0.18 2.41 0.00 -0.98 -1.19 119.26 121.60 1gqi h ALA 643 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1gqi h ALA 643 Cb 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1gqi h ALA 643 CO -0.10 0.61 -0.09 0.37 0.00 0.00 0.00 179.25 180.04 1gqi h GLN 644 N 1.04 -0.23 -0.65 0.00 4.15 -1.02 -1.46 115.11 116.94 1gqi h GLN 644 Ca 0.25 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 1gqi h GLN 644 Cb 0.17 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1gqi h GLN 644 CO -0.02 0.01 0.33 0.28 -1.93 0.00 0.00 178.83 177.49 1gqi h VAL 645 N -0.45 1.22 -0.47 2.39 2.07 -1.19 -0.78 116.25 119.04 1gqi h VAL 645 Ca -0.02 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 66.98 1gqi h VAL 645 Cb 0.35 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1gqi h VAL 645 CO 0.04 0.25 0.14 0.50 0.02 0.00 0.00 177.57 178.51 1gqi h LYS 646 N 0.89 0.28 -0.19 1.57 3.64 -1.13 -0.27 116.57 121.36 1gqi h LYS 646 Ca 0.22 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1gqi h LYS 646 Cb 0.09 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1gqi h LYS 646 CO -0.03 0.19 0.07 0.00 -2.27 0.00 0.00 179.45 177.41 1gqi h ALA 647 N 1.33 0.25 -0.83 5.00 0.00 -0.93 -2.45 119.26 121.63 1gqi h ALA 647 Ca 0.23 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1gqi h ALA 647 Cb 0.26 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1gqi h ALA 647 CO -0.26 -0.15 0.54 -0.07 0.00 0.00 0.00 179.25 179.31 1gqi h LEU 648 N 0.14 0.86 -1.19 0.00 3.38 -0.89 -1.57 115.31 116.04 1gqi h LEU 648 Ca 0.06 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1gqi h LEU 648 Cb 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1gqi h LEU 648 CO -0.00 0.57 -0.32 -0.07 0.09 0.00 0.00 178.44 178.71 1gqi h LEU 649 N 0.98 0.15 -0.52 1.67 3.38 -0.84 0.08 115.31 120.21 1gqi h LEU 649 Ca 0.34 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.21 1gqi h LEU 649 Cb 0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1gqi h LEU 649 CO -0.11 0.47 0.10 1.56 0.09 0.00 0.00 178.44 180.55 1gqi h GLN 650 N 0.13 0.85 -0.45 1.13 4.20 -0.82 -0.38 115.11 119.77 1gqi h GLN 650 Ca 0.02 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 1gqi h GLN 650 Cb 0.63 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1gqi h GLN 650 CO 0.05 0.82 0.19 0.28 -0.67 0.00 0.00 178.83 179.50 1gqi h VAL 651 N 0.74 1.20 -0.65 -0.54 2.07 -0.86 -2.08 116.25 116.12 1gqi h VAL 651 Ca 0.16 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 67.12 1gqi h VAL 651 Cb 0.37 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1gqi h VAL 651 CO 0.01 0.22 0.39 -0.61 0.02 0.00 0.00 177.57 177.60 1gqi h GLN 652 N 0.59 0.73 -0.78 1.57 4.15 -0.84 -0.27 115.11 120.27 1gqi h GLN 652 Ca 0.15 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 1gqi h GLN 652 Cb 0.17 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1gqi h GLN 652 CO -0.01 0.48 0.28 1.49 -1.93 0.00 0.00 178.83 179.14 1gqi h GLU 653 N 0.75 1.18 -0.35 1.69 4.22 -0.83 0.37 114.58 121.60 1gqi h GLU 653 Ca 0.27 -0.23 -0.04 0.00 0.08 0.00 0.00 59.36 59.44 1gqi h GLU 653 Cb 0.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1gqi h GLU 653 CO -0.12 0.97 0.07 -0.09 -2.18 0.00 0.00 179.01 177.66 1gqi h ARG 654 N 1.14 0.58 -0.21 1.92 2.43 -0.91 -1.32 114.38 118.00 1gqi h ARG 654 Ca 0.26 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 1gqi h ARG 654 Cb 0.26 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1gqi h ARG 654 CO -0.02 0.64 -0.38 0.93 -1.51 0.00 0.00 179.97 179.63 1gqi h GLU 655 N 0.42 0.47 -0.64 0.20 4.39 -0.71 -1.77 114.58 116.95 1gqi h GLU 655 Ca 0.11 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 1gqi h GLU 655 Cb 0.33 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1gqi h GLU 655 CO 0.00 0.78 0.26 0.00 -1.16 0.00 0.00 179.01 178.90 1gqi h ALA 656 N 1.19 0.83 -0.78 3.43 0.00 -0.03 0.14 119.26 124.05 1gqi h ALA 656 Ca 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1gqi h ALA 656 Cb 0.85 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1gqi h ALA 656 CO 0.07 0.44 0.48 0.28 0.00 0.00 0.00 179.25 180.52 1gqi h VAL 657 N 0.89 1.22 -0.47 0.00 2.07 -1.10 0.64 116.25 119.50 1gqi h VAL 657 Ca 0.21 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1gqi h VAL 657 Cb 0.20 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1gqi h VAL 657 CO -0.02 0.22 0.20 -0.09 0.02 0.00 0.00 177.57 177.90 1gqi h ARG 658 N 1.07 0.70 0.29 1.57 2.43 -0.59 0.42 114.38 120.26 1gqi h ARG 658 Ca 0.28 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1gqi h ARG 658 Cb -0.05 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1gqi h ARG 658 CO -0.05 0.62 -0.20 -1.49 -1.51 0.00 0.00 179.97 177.34 1gqi h TRP 659 N 0.62 -0.53 -0.00 2.20 4.06 -0.43 -0.65 115.95 121.22 1gqi h TRP 659 Ca 0.16 -0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.13 1gqi h TRP 659 Cb 0.18 0.19 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 1gqi h TRP 659 CO 0.00 -0.31 -0.16 -0.09 -3.56 0.00 0.00 178.44 174.32 1gqi h ARG 660 N -0.48 -0.26 -0.58 0.49 2.43 -0.69 -1.23 114.38 114.07 1gqi h ARG 660 Ca -0.02 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1gqi h ARG 660 Cb 0.42 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1gqi h ARG 660 CO 0.01 -0.17 0.11 -0.91 -1.51 0.00 0.00 179.97 177.50 1gqi h ASN 661 N -0.27 0.90 -0.40 -3.80 2.35 -0.88 -0.42 115.58 113.07 1gqi h ASN 661 Ca 0.05 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.53 1gqi h ASN 661 Cb 0.34 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1gqi h ASN 661 CO -0.16 0.92 0.14 0.28 -1.65 0.00 0.00 177.43 176.96 1gqi h SER 662 N 0.84 0.57 -0.06 5.81 0.02 -0.93 -1.10 113.55 118.70 1gqi h SER 662 Ca 0.18 -0.19 -0.15 0.00 -0.84 0.00 0.00 61.79 60.79 1gqi h SER 662 Cb 0.39 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.79 1gqi h SER 662 CO 0.01 0.61 -0.55 0.00 -1.14 0.00 0.00 176.83 175.75 1gqi h VAL 664 N 0.05 1.23 -0.19 0.00 2.07 -1.07 0.34 116.25 118.68 1gqi h VAL 664 Ca -0.05 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 1gqi h VAL 664 Cb 1.22 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1gqi h VAL 664 CO 0.11 0.28 -0.40 -0.07 0.02 0.00 0.00 177.57 177.51 1gqi h LEU 665 N 0.65 0.45 0.14 2.57 3.38 -1.26 0.83 115.31 122.08 1gqi h LEU 665 Ca 0.16 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1gqi h LEU 665 Cb 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1gqi h LEU 665 CO -0.00 0.81 -0.07 0.22 0.09 0.00 0.00 178.44 179.48 1gqi h TYR 666 N 0.36 -0.18 -0.13 1.13 3.20 -0.98 -1.55 116.97 118.82 1gqi h TYR 666 Ca 0.03 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1gqi h TYR 666 Cb 0.86 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1gqi h TYR 666 CO 0.03 0.14 -0.16 0.74 -1.64 0.00 0.00 178.16 177.26 1gqi h PHE 667 N -0.50 0.22 -0.77 -3.82 0.04 -0.78 -1.37 116.94 109.95 1gqi h PHE 667 Ca -0.02 -0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.73 1gqi h PHE 667 Cb 0.39 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 1gqi h PHE 667 CO 0.03 0.37 0.51 0.37 -0.60 0.00 0.00 178.31 178.98 1gqi h GLN 668 N 0.20 1.02 0.00 1.51 4.15 -0.74 0.87 115.11 122.12 1gqi h GLN 668 Ca 0.04 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1gqi h GLN 668 Cb 0.41 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 1gqi h GLN 668 CO 0.03 0.68 -0.08 0.66 -1.93 0.00 0.00 178.83 178.19 1gqi h SER 669 N 1.05 0.00 0.10 -0.69 4.64 -0.20 0.51 113.55 118.97 1gqi h SER 669 Ca 0.28 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.29 1gqi h SER 669 Cb -0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1gqi h SER 669 CO -0.06 0.08 -1.70 0.58 -0.87 0.00 0.00 176.83 174.86 1gqi h VAL 670 N 0.00 0.79 0.06 0.95 2.07 -1.12 -3.39 116.25 115.60 1gqi h VAL 670 Ca -0.00 -2.32 -0.24 0.00 0.82 0.00 0.00 66.70 64.96 1gqi h VAL 670 Cb 0.16 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1gqi h VAL 670 CO 0.01 0.72 -1.12 0.00 0.02 0.00 0.00 177.57 177.21 1gqi h ALA 671 N -0.08 0.24 -3.14 1.67 0.00 -0.57 -3.25 119.26 114.14 1gqi h ALA 671 Ca -0.38 -0.91 -0.22 0.00 0.00 0.00 0.00 54.91 53.40 1gqi h ALA 671 Cb 1.82 -0.08 0.05 0.00 0.00 0.00 0.00 17.79 19.58 1gqi h ALA 671 CO 0.02 1.13 -0.35 0.41 0.00 0.00 0.00 179.25 180.46 1gqi n GLY 672 N 1.43 0.06 3.40 0.00 0.00 0.18 -4.84 105.19 105.42 1gqi n GLY 672 Ca -0.04 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 -5.42 1.47 0.45 1.61 0.52 -1.26 -5.10 118.95 111.22 1gqi s ARG 673 Ca 0.24 -1.31 -0.21 0.00 -0.52 0.00 0.00 55.73 53.92 1gqi s ARG 673 Cb -0.11 -1.93 -0.09 0.00 0.52 0.00 0.00 34.95 33.34 1gqi s ARG 673 CO 0.30 0.46 1.01 -1.25 0.02 0.00 0.00 175.30 175.83 1gqi s PRO 674 N -2.01 3.99 -0.09 3.54 0.04 -1.26 -4.84 135.00 134.37 1gqi s PRO 674 Ca 0.14 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 1gqi s PRO 674 Cb -0.10 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1gqi s PRO 674 CO 0.06 -0.26 1.21 0.42 0.04 0.00 0.00 177.00 178.47 1gqi s ILE 675 N -2.00 4.29 0.52 0.56 1.01 -1.26 -5.00 121.20 119.32 1gqi s ILE 675 Ca 0.64 1.60 -0.21 0.00 0.00 0.00 0.00 60.65 62.68 1gqi s ILE 675 Cb -0.15 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.22 1gqi s ILE 675 CO 0.19 -0.04 0.92 -2.65 0.00 0.00 0.00 174.94 173.35 1gqi n PRO 676 N 5.58 1.04 0.24 2.79 -0.02 -1.26 -4.85 135.00 138.52 1gqi n PRO 676 Ca 0.12 0.39 0.16 0.00 -2.02 0.00 0.00 63.50 62.15 1gqi n PRO 676 Cb 0.46 -2.04 0.75 0.00 -0.02 0.00 0.00 33.50 32.65 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 0.91 1.00 -0.05 3.55 0.00 -2.02 -1.94 119.26 120.71 1gqi h ALA 677 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1gqi h ALA 677 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1gqi h ALA 677 CO 0.53 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.05 1gqi n ASN 678 N -2.75 0.47 -4.61 0.00 6.94 -1.26 -4.70 115.26 109.35 1gqi n ASN 678 Ca -0.00 -1.53 -0.34 0.00 -0.02 0.00 0.00 54.58 52.69 1gqi n ASN 678 Cb 0.19 -0.03 -0.11 0.00 -2.36 0.00 0.00 39.78 37.47 1gqi n ASN 678 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1gqi s TYR 679 N -1.94 3.00 0.05 -2.53 2.02 -0.73 -5.07 117.35 112.15 1gqi s TYR 679 Ca 0.28 0.06 -0.31 0.00 -0.37 0.00 0.00 57.07 56.73 1gqi s TYR 679 Cb 0.13 -1.74 -0.07 0.00 -0.40 0.00 0.00 41.96 39.88 1gqi s TYR 679 CO 0.22 0.36 1.51 -1.83 -1.57 0.00 0.00 175.55 174.24 1gqi s GLU 680 N -0.80 4.25 0.28 -0.62 -1.05 -1.26 -4.91 118.70 114.59 1gqi s GLU 680 Ca 0.12 2.15 -0.30 0.00 -0.15 0.00 0.00 54.97 56.79 1gqi s GLU 680 Cb -0.11 -3.54 -0.10 0.00 -0.44 0.00 0.00 34.13 29.94 1gqi s GLU 680 CO 0.02 -0.63 1.41 -1.14 0.95 0.00 0.00 175.26 175.86 1gqi s GLN 681 N 2.34 4.28 0.44 -4.83 -0.44 -1.26 -4.94 119.66 115.25 1gqi s GLN 681 Ca 0.68 2.29 -0.24 0.00 -2.50 0.00 0.00 55.36 55.60 1gqi s GLN 681 Cb -0.36 -3.09 -0.10 0.00 -1.64 0.00 0.00 33.01 27.82 1gqi s GLN 681 CO 0.29 -0.36 0.98 -2.30 0.50 0.00 0.00 175.29 174.40 1gqi n PRO 682 N 1.84 1.27 0.08 1.67 -0.02 -1.26 -4.88 135.00 133.71 1gqi n PRO 682 Ca 0.05 0.46 0.06 0.00 -2.02 0.00 0.00 63.50 62.04 1gqi n PRO 682 Cb 0.41 -2.03 0.50 0.00 -0.02 0.00 0.00 33.50 32.36 1gqi n PRO 682 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1gqi h GLU 683 N 1.40 0.35 -4.97 -0.52 5.08 -1.99 -3.45 114.58 110.48 1gqi h GLU 683 Ca -0.45 -0.02 -0.53 0.00 -1.00 0.00 0.00 59.36 57.36 1gqi h GLU 683 Cb 1.34 -0.08 -0.13 0.00 0.50 0.00 0.00 28.75 30.38 1gqi h GLU 683 CO 0.56 0.23 -0.50 -1.01 -1.00 0.00 0.00 179.01 177.29 1gqi s HIS 684 N -5.35 1.77 0.62 4.33 3.76 -1.26 -5.18 115.29 113.98 1gqi s HIS 684 Ca -0.07 -1.46 0.01 0.00 -0.15 0.00 0.00 55.06 53.39 1gqi s HIS 684 Cb 0.17 -0.97 0.08 0.00 1.11 0.00 0.00 32.58 32.97 1gqi s HIS 684 CO 0.71 -0.55 0.87 0.16 -0.85 0.00 0.00 174.74 175.08 1gqi s ASP 685 N -3.52 4.86 0.15 1.40 3.84 -1.26 -4.97 116.67 117.18 1gqi s ASP 685 Ca 0.30 -0.25 -0.16 0.00 -0.00 0.00 0.00 52.55 52.43 1gqi s ASP 685 Cb 0.02 -0.38 0.05 0.00 -1.38 0.00 0.00 42.92 41.23 1gqi s ASP 685 CO 0.20 -1.47 1.76 0.25 -0.00 0.00 0.00 175.17 175.91 1gqi h LEU 686 N -0.17 0.20 -1.45 2.11 5.85 -1.94 -1.93 115.31 117.98 1gqi h LEU 686 Ca -0.38 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.39 1gqi h LEU 686 Cb 1.28 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1gqi h LEU 686 CO 0.46 0.15 0.40 -0.08 -0.34 0.00 0.00 178.44 179.03 1gqi h GLU 687 N 0.32 0.70 -0.80 1.25 4.57 -1.99 -0.50 114.58 118.14 1gqi h GLU 687 Ca 0.16 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1gqi h GLU 687 Cb 0.10 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 1gqi h GLU 687 CO -0.14 0.46 0.46 -0.92 -1.18 0.00 0.00 179.01 177.70 1gqi h TYR 688 N 0.72 1.07 0.00 0.92 5.03 -1.75 -0.15 116.97 122.81 1gqi h TYR 688 Ca 0.24 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.48 1gqi h TYR 688 Cb 0.06 -0.35 -0.01 0.00 1.55 0.00 0.00 36.73 37.98 1gqi h TYR 688 CO -0.00 0.73 -0.28 1.88 -1.32 0.00 0.00 178.16 179.16 1gqi h TYR 689 N 1.10 0.00 -0.82 -3.82 -1.99 -0.90 0.11 116.97 110.65 1gqi h TYR 689 Ca 0.28 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.97 1gqi h TYR 689 Cb -0.01 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.68 1gqi h TYR 689 CO -0.00 0.28 0.36 0.87 -0.00 0.00 0.00 178.16 179.67 1gqi h LYS 690 N 0.00 1.20 -0.60 4.88 1.57 -0.65 -0.28 116.57 122.68 1gqi h LYS 690 Ca -0.00 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1gqi h LYS 690 Cb 1.20 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 1gqi h LYS 690 CO 0.04 0.94 0.30 1.98 -0.57 0.00 0.00 179.45 182.14 1gqi h MET 691 N 1.18 0.86 -0.34 3.15 4.05 -0.59 -2.28 114.93 120.96 1gqi h MET 691 Ca 0.28 -0.12 -0.06 0.00 -0.28 0.00 0.00 59.70 59.52 1gqi h MET 691 Cb 0.17 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 1gqi h MET 691 CO -0.03 0.68 -0.05 -0.07 0.23 0.00 0.00 176.91 177.68 1gqi h LEU 692 N 0.82 0.52 -1.37 3.39 3.38 -0.66 -1.28 115.31 120.11 1gqi h LEU 692 Ca 0.21 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1gqi h LEU 692 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1gqi h LEU 692 CO -0.03 0.62 -0.22 0.00 0.09 0.00 0.00 178.44 178.90 1gqi h ALA 693 N 1.44 1.48 0.00 1.53 0.00 -0.51 0.89 119.26 124.09 1gqi h ALA 693 Ca 0.10 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1gqi h ALA 693 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1gqi h ALA 693 CO 0.02 0.37 -0.31 0.00 0.00 0.00 0.00 179.25 179.34 1gqi h ARG 694 N 0.12 0.00 0.00 0.00 3.08 -0.81 -3.38 114.38 113.39 1gqi h ARG 694 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1gqi h ARG 694 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1gqi h ARG 694 CO 0.03 0.31 -0.43 0.25 -1.07 0.00 0.00 179.97 179.06 1gqi n THR 695 N -3.18 0.00 -2.62 2.04 -2.24 -0.56 -4.72 114.28 102.99 1gqi n THR 695 Ca 0.03 -0.33 -0.42 0.00 -2.27 0.00 0.00 64.05 61.05 1gqi n THR 695 Cb 0.65 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.74 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 -1.66 4.63 0.22 4.28 2.01 0.27 -4.94 115.64 120.44 1gqi s THR 696 Ca 0.01 1.91 -0.32 0.00 0.31 0.00 0.00 61.69 63.60 1gqi s THR 696 Cb 0.04 -4.23 -0.14 0.00 0.01 0.00 0.00 72.50 68.18 1gqi s THR 696 CO 0.22 0.01 1.36 0.00 -0.69 0.00 0.00 174.62 175.52 1gqi n TYR 697 N 4.98 1.97 -3.51 4.92 9.36 -1.26 -4.95 117.16 128.67 1gqi n TYR 697 Ca 0.09 0.48 -0.42 0.00 3.32 0.00 0.00 57.90 61.37 1gqi n TYR 697 Cb 0.48 -2.42 -0.10 0.00 -0.63 0.00 0.00 39.34 36.66 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 -0.02 5.09 -1.31 2.97 1.01 -1.26 -5.00 120.40 121.88 1gqi s VAL 698 Ca 0.70 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 1gqi s VAL 698 Cb -0.70 -3.78 0.14 0.00 0.00 0.00 0.00 36.38 32.04 1gqi s VAL 698 CO 0.49 -0.22 1.94 -0.81 0.00 0.00 0.00 175.10 176.50 1gqi n PRO 699 N 5.11 3.48 -3.69 2.72 -0.04 -1.26 -4.29 135.00 137.03 1gqi n PRO 699 Ca -0.12 -3.36 -0.11 0.00 -0.04 0.00 0.00 63.50 59.88 1gqi n PRO 699 Cb 0.47 -3.00 -0.12 0.00 -0.04 0.00 0.00 33.50 30.82 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 0.93 0.29 0.27 0.54 2.12 -1.26 -4.80 118.70 116.79 1gqi s GLU 700 Ca 0.41 0.75 -0.04 0.00 0.36 0.00 0.00 54.97 56.45 1gqi s GLU 700 Cb 0.10 0.01 0.35 0.00 0.26 0.00 0.00 34.13 34.85 1gqi s GLU 700 CO -0.01 -0.20 1.93 -1.35 -0.54 0.00 0.00 175.26 175.09 1gqi h PRO 701 N 7.52 1.18 -0.00 4.30 0.11 -1.88 -3.30 132.00 139.93 1gqi h PRO 701 Ca -0.30 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 1gqi h PRO 701 Cb 1.15 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1gqi h PRO 701 CO 0.26 0.80 -0.00 2.35 -0.21 0.00 0.00 178.00 181.20 1gqi h TRP 702 N 1.21 0.00 -3.54 0.65 7.01 -1.86 -3.44 115.95 115.98 1gqi h TRP 702 Ca 0.32 -0.00 -0.52 0.00 2.11 0.00 0.00 58.89 60.80 1gqi h TRP 702 Cb -0.10 -0.00 0.02 0.00 -2.10 0.00 0.00 29.16 26.98 1gqi h TRP 702 CO 0.00 0.33 0.55 -1.58 -2.79 0.00 0.00 178.44 174.95 1gqi s HIS 703 N -4.90 3.43 0.64 2.65 2.46 -1.24 -4.89 115.29 113.43 1gqi s HIS 703 Ca -0.15 1.46 0.35 0.00 0.47 0.00 0.00 55.06 57.19 1gqi s HIS 703 Cb 0.03 -3.43 1.97 0.00 -0.13 0.00 0.00 32.58 31.02 1gqi s HIS 703 CO 0.67 -1.16 2.17 -1.35 -2.47 0.00 0.00 174.74 172.60 1gqi h PRO 704 N 4.97 0.00 -0.32 2.88 0.11 -1.90 -2.02 132.00 135.71 1gqi h PRO 704 Ca -0.45 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.74 1gqi h PRO 704 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1gqi h PRO 704 CO 0.73 0.00 0.23 0.00 -0.21 0.00 0.00 178.00 178.75 1gqi h ALA 705 N 1.75 2.19 0.00 -0.75 0.00 -1.93 -0.10 119.26 120.43 1gqi h ALA 705 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1gqi h ALA 705 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1gqi h ALA 705 CO -0.00 -0.28 0.00 0.66 0.00 0.00 0.00 179.25 179.63 1gqi h SER 706 N 0.08 0.00 -0.08 0.00 4.64 -1.55 -1.38 113.55 115.27 1gqi h SER 706 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1gqi h SER 706 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1gqi h SER 706 CO -0.01 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.75 1gqi n SER 707 N -2.59 2.68 -4.70 4.97 7.64 -0.06 -4.84 113.62 116.72 1gqi n SER 707 Ca 0.00 -1.88 -0.42 0.00 1.01 0.00 0.00 58.87 57.58 1gqi n SER 707 Cb 0.20 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.92 6.68 -0.01 6.43 0.15 -0.52 -4.89 113.70 119.62 1gqi s SER 708 Ca 0.32 2.44 0.16 0.00 0.70 0.00 0.00 55.95 59.56 1gqi s SER 708 Cb 0.20 -2.58 0.47 0.00 -1.71 0.00 0.00 66.02 62.40 1gqi s SER 708 CO 0.31 -0.79 1.38 0.54 1.20 0.00 0.00 173.24 175.88 1gqi n ARG 709 N 4.66 2.30 -1.73 5.44 1.74 -1.26 -4.96 116.66 122.86 1gqi n ARG 709 Ca 0.14 -1.90 -0.42 0.00 -0.77 0.00 0.00 57.85 54.90 1gqi n ARG 709 Cb 0.41 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 1gqi n ARG 709 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1gqi n VAL 710 N 0.99 0.44 -0.27 1.55 0.31 -1.26 -4.90 118.33 115.19 1gqi n VAL 710 Ca 0.18 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1gqi n VAL 710 Cb 0.47 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1gqi n VAL 710 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1gqi n LEU 711 N 3.17 1.09 0.00 7.52 4.77 -1.26 -4.62 117.00 127.67 1gqi n LEU 711 Ca 0.13 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1gqi n LEU 711 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1gqi n LEU 711 CO 0.64 0.27 0.00 0.29 -1.33 0.00 0.00 177.39 177.26