#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfm s LEU 2 N 0.00 4.96 0.00 -0.89 1.02 -1.26 -4.79 118.68 117.72 1qfm s LEU 2 Ca 0.00 -2.18 0.11 0.00 0.02 0.00 0.00 54.13 52.08 1qfm s LEU 2 Cb 0.00 -2.41 0.34 0.00 0.02 0.00 0.00 46.19 44.14 1qfm s LEU 2 CO 0.00 -1.03 1.28 -1.20 0.02 0.00 0.00 176.35 175.41 1qfm n SER 3 N 6.53 1.85 -4.56 2.29 7.64 -1.26 -4.88 113.62 121.23 1qfm n SER 3 Ca 0.27 -1.98 -0.26 0.00 1.01 0.00 0.00 58.87 57.91 1qfm n SER 3 Cb 0.48 -0.22 -0.11 0.00 -1.01 0.00 0.00 64.21 63.35 1qfm n SER 3 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1qfm s PHE 4 N -1.55 2.36 -0.00 1.43 -0.12 -1.26 -5.15 117.98 113.68 1qfm s PHE 4 Ca 0.24 -0.65 0.08 0.00 -0.05 0.00 0.00 56.93 56.55 1qfm s PHE 4 Cb 0.12 -1.52 -0.02 0.00 -0.63 0.00 0.00 43.02 40.97 1qfm s PHE 4 CO 0.17 0.43 -0.26 1.14 -0.05 0.00 0.00 175.22 176.64 1qfm s GLN 5 N -3.70 2.04 0.27 1.99 -2.07 -1.26 -5.11 119.66 111.82 1qfm s GLN 5 Ca 0.34 -0.97 -0.30 0.00 -1.82 0.00 0.00 55.36 52.61 1qfm s GLN 5 Cb 0.07 -2.02 -0.10 0.00 -1.09 0.00 0.00 33.01 29.86 1qfm s GLN 5 CO 0.17 0.55 1.40 0.71 -1.32 0.00 0.00 175.29 176.80 1qfm s TYR 6 N -0.66 3.01 0.55 9.60 4.12 -1.26 -4.96 117.35 127.75 1qfm s TYR 6 Ca 0.10 1.14 -0.22 0.00 0.02 0.00 0.00 57.07 58.11 1qfm s TYR 6 Cb -0.10 -3.79 -0.05 0.00 -1.52 0.00 0.00 41.96 36.50 1qfm s TYR 6 CO -0.00 -2.46 1.33 -2.30 0.02 0.00 0.00 175.55 172.14 1qfm n PRO 7 N 1.87 1.64 -2.52 -1.71 -0.02 -1.26 -4.94 135.00 128.06 1qfm n PRO 7 Ca 0.05 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 1qfm n PRO 7 Cb 0.41 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 1qfm n PRO 7 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1qfm s ASP 8 N -0.92 7.21 -0.10 2.55 1.11 -1.26 -5.01 116.67 120.24 1qfm s ASP 8 Ca 0.72 1.96 -0.00 0.00 0.18 0.00 0.00 52.55 55.41 1qfm s ASP 8 Cb -0.42 -2.59 0.02 0.00 1.07 0.00 0.00 42.92 41.01 1qfm s ASP 8 CO 0.49 -0.33 -0.07 -0.69 1.18 0.00 0.00 175.17 175.75 1qfm s VAL 9 N 0.57 0.94 0.30 -1.27 1.01 -1.26 -5.06 120.40 115.63 1qfm s VAL 9 Ca 0.54 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 1qfm s VAL 9 Cb -0.28 -0.97 -0.12 0.00 0.00 0.00 0.00 36.38 35.02 1qfm s VAL 9 CO 0.31 0.35 1.60 0.00 0.00 0.00 0.00 175.10 177.36 1qfm n TYR 10 N 4.88 2.87 -3.75 5.22 9.36 -1.26 -4.99 117.16 129.49 1qfm n TYR 10 Ca -0.13 0.26 -0.38 0.00 3.32 0.00 0.00 57.90 60.97 1qfm n TYR 10 Cb 0.50 -2.60 -0.12 0.00 -0.63 0.00 0.00 39.34 36.49 1qfm n TYR 10 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1qfm s ARG 11 N -0.55 2.92 -0.97 2.98 0.52 -1.26 -4.74 118.95 117.85 1qfm s ARG 11 Ca 0.64 -0.98 -0.22 0.00 -0.52 0.00 0.00 55.73 54.65 1qfm s ARG 11 Cb -0.49 -3.43 0.08 0.00 0.52 0.00 0.00 34.95 31.63 1qfm s ARG 11 CO 0.49 -0.53 1.33 0.34 0.02 0.00 0.00 175.30 176.94 1qfm s ASP 12 N 1.47 6.52 0.00 0.23 2.15 0.14 -4.84 116.67 122.34 1qfm s ASP 12 Ca 0.01 -1.59 0.13 0.00 0.43 0.00 0.00 52.55 51.54 1qfm s ASP 12 Cb -0.18 -2.51 0.78 0.00 -0.30 0.00 0.00 42.92 40.71 1qfm s ASP 12 CO 0.03 -1.38 1.36 -0.62 -0.17 0.00 0.00 175.17 174.39 1qfm n GLU 13 N 8.14 0.81 0.00 4.34 1.02 -1.26 -2.38 120.64 131.32 1qfm n GLU 13 Ca 0.28 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.53 1qfm n GLU 13 Cb 0.50 -1.25 -0.02 0.00 -0.02 0.00 0.00 31.44 30.65 1qfm n GLU 13 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1qfm n THR 14 N -0.75 0.02 -2.27 2.62 -2.24 -1.26 -4.75 114.28 105.65 1qfm n THR 14 Ca 0.10 -0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.45 1qfm n THR 14 Cb 0.04 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1qfm n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qfm n ALA 15 N -1.58 3.00 -3.18 6.98 0.00 -1.00 -4.91 120.51 119.81 1qfm n ALA 15 Ca 0.04 -3.51 -0.32 0.00 0.00 0.00 0.00 53.44 49.64 1qfm n ALA 15 Cb 0.36 -3.56 -0.16 0.00 0.00 0.00 0.00 19.45 16.09 1qfm n ALA 15 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1qfm s ILE 16 N 6.79 2.33 -0.02 0.00 1.01 -1.26 -0.37 121.20 129.68 1qfm s ILE 16 Ca 0.59 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 60.38 1qfm s ILE 16 Cb 0.03 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 1qfm s ILE 16 CO 0.09 0.55 -0.20 -1.10 0.00 0.00 0.00 174.94 174.28 1qfm s GLN 17 N 0.35 1.65 -0.20 2.79 -0.21 -0.01 -4.95 119.66 119.07 1qfm s GLN 17 Ca -0.17 -0.72 -0.18 0.00 0.02 0.00 0.00 55.36 54.31 1qfm s GLN 17 Cb -0.17 -1.59 -0.03 0.00 1.00 0.00 0.00 33.01 32.21 1qfm s GLN 17 CO 0.08 0.43 0.48 0.34 -2.12 0.00 0.00 175.29 174.50 1qfm s ASP 18 N -0.47 6.52 -0.53 5.90 2.15 -1.26 -0.60 116.67 128.38 1qfm s ASP 18 Ca 0.08 0.62 0.01 0.00 0.43 0.00 0.00 52.55 53.69 1qfm s ASP 18 Cb -0.08 -2.27 0.14 0.00 -0.30 0.00 0.00 42.92 40.41 1qfm s ASP 18 CO -0.01 -0.15 0.30 -0.31 -0.17 0.00 0.00 175.17 174.84 1qfm s TYR 19 N 1.52 3.35 -1.48 -5.34 1.51 0.40 -4.76 117.35 112.55 1qfm s TYR 19 Ca 0.22 -2.94 -0.12 0.00 -1.01 0.00 0.00 57.07 53.22 1qfm s TYR 19 Cb -0.15 -3.00 0.06 0.00 -0.11 0.00 0.00 41.96 38.76 1qfm s TYR 19 CO 0.09 -0.81 1.00 0.72 -1.11 0.00 0.00 175.55 175.44 1qfm n HIS 20 N 3.45 -2.43 0.00 2.71 8.25 -1.26 -0.85 115.22 125.09 1qfm n HIS 20 Ca 0.05 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.42 1qfm n HIS 20 Cb 0.36 -4.24 0.00 0.00 1.12 0.00 0.00 29.99 27.22 1qfm n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qfm n GLY 21 N -1.75 2.57 3.50 -1.41 0.00 -1.26 -5.02 105.19 101.82 1qfm n GLY 21 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1qfm n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qfm s HIS 22 N -2.54 3.10 0.11 1.61 5.65 -0.03 -5.04 115.29 118.15 1qfm s HIS 22 Ca 0.00 -0.19 -0.30 0.00 0.25 0.00 0.00 55.06 54.82 1qfm s HIS 22 Cb 0.00 -3.22 -0.06 0.00 -1.18 0.00 0.00 32.58 28.12 1qfm s HIS 22 CO 0.00 -0.83 1.09 0.15 -0.65 0.00 0.00 174.74 174.50 1qfm s LYS 23 N 2.60 4.56 0.00 2.88 -0.14 -1.26 -0.45 119.74 127.92 1qfm s LYS 23 Ca 0.19 1.66 0.00 0.00 -1.36 0.00 0.00 55.97 56.45 1qfm s LYS 23 Cb -0.15 -3.33 0.00 0.00 -1.68 0.00 0.00 37.83 32.66 1qfm s LYS 23 CO 0.17 -0.02 0.00 0.28 -0.76 0.00 0.00 175.35 175.02 1qfm n VAL 24 N 3.06 0.00 0.00 3.17 0.31 0.23 -4.96 118.33 120.15 1qfm n VAL 24 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1qfm n VAL 24 Cb 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 1qfm n VAL 24 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1qfm n ASP 26 N -1.81 0.00 0.32 4.52 2.03 0.50 -0.83 116.55 121.29 1qfm n ASP 26 Ca 0.00 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.49 1qfm n ASP 26 Cb 0.00 0.00 0.98 0.00 -0.72 0.00 0.00 41.12 41.38 1qfm n ASP 26 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1qfm h PRO 27 N 0.00 0.00 -0.40 -0.67 0.13 -1.78 -1.31 132.00 127.98 1qfm h PRO 27 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 1qfm h PRO 27 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 1qfm h PRO 27 CO 0.00 0.00 0.05 0.66 -0.23 0.00 0.00 178.00 178.48 1qfm n TYR 28 N -2.92 1.33 0.15 1.56 4.02 -1.26 -0.69 117.16 119.36 1qfm n TYR 28 Ca -0.02 -1.16 0.15 0.00 -0.01 0.00 0.00 57.90 56.86 1qfm n TYR 28 Cb 0.23 -0.45 0.72 0.00 -0.02 0.00 0.00 39.34 39.81 1qfm n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1qfm h ALA 29 N 1.75 2.11 0.00 -0.72 0.00 -1.60 -0.92 119.26 119.88 1qfm h ALA 29 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1qfm h ALA 29 Cb 1.71 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1qfm h ALA 29 CO 0.39 -0.31 -0.03 0.11 0.00 0.00 0.00 179.25 179.40 1qfm h TRP 30 N 0.00 0.00 0.00 0.00 5.08 -1.84 -0.68 115.95 118.50 1qfm h TRP 30 Ca 0.11 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.08 1qfm h TRP 30 Cb 0.49 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.65 1qfm h TRP 30 CO 0.00 0.03 0.00 1.28 -1.28 0.00 0.00 178.44 178.47 1qfm n LEU 31 N -3.36 0.00 0.13 0.11 4.77 -0.35 -2.36 117.00 115.93 1qfm n LEU 31 Ca -0.02 0.22 0.12 0.00 -0.03 0.00 0.00 56.01 56.30 1qfm n LEU 31 Cb 0.16 -0.22 0.47 0.00 -2.33 0.00 0.00 43.42 41.50 1qfm n LEU 31 CO 0.25 -0.11 0.87 -0.62 -1.33 0.00 0.00 177.39 176.45 1qfm n GLU 32 N -1.22 0.23 -3.28 3.23 1.02 -0.26 -4.47 120.64 115.89 1qfm n GLU 32 Ca 0.08 0.36 -0.44 0.00 -0.02 0.00 0.00 57.16 57.14 1qfm n GLU 32 Cb 0.10 -1.87 -0.07 0.00 -0.02 0.00 0.00 31.44 29.59 1qfm n GLU 32 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1qfm s ASP 33 N -4.42 6.18 0.56 1.62 -1.08 -1.00 -4.93 116.67 113.61 1qfm s ASP 33 Ca 0.06 -1.21 0.34 0.00 -0.52 0.00 0.00 52.55 51.22 1qfm s ASP 33 Cb 0.10 -2.23 1.52 0.00 -1.46 0.00 0.00 42.92 40.84 1qfm s ASP 33 CO 0.47 -0.79 2.04 1.55 0.52 0.00 0.00 175.17 178.96 1qfm h PRO 34 N 8.89 0.00 0.00 4.34 0.13 -1.86 -3.22 132.00 140.28 1qfm h PRO 34 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1qfm h PRO 34 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1qfm h PRO 34 CO 0.94 0.02 -0.71 -0.25 -0.23 0.00 0.00 178.00 177.78 1qfm n ASP 35 N -3.14 0.61 -4.77 1.44 8.00 -1.26 -4.59 116.55 112.84 1qfm n ASP 35 Ca -0.00 -0.20 -0.33 0.00 0.71 0.00 0.00 54.79 54.96 1qfm n ASP 35 Cb 0.27 0.43 0.05 0.00 -0.02 0.00 0.00 41.12 41.85 1qfm n ASP 35 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1qfm s SER 36 N -3.54 5.10 0.31 -2.24 1.04 -1.21 -4.90 113.70 108.26 1qfm s SER 36 Ca 0.08 2.04 0.02 0.00 0.48 0.00 0.00 55.95 58.57 1qfm s SER 36 Cb 0.16 -2.56 0.51 0.00 0.10 0.00 0.00 66.02 64.23 1qfm s SER 36 CO 0.74 -1.63 1.83 -0.33 0.98 0.00 0.00 173.24 174.83 1qfm h GLU 37 N 0.12 0.61 -0.16 4.02 4.39 -1.92 -1.64 114.58 119.99 1qfm h GLU 37 Ca -0.47 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.08 1qfm h GLU 37 Cb 1.25 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1qfm h GLU 37 CO 0.54 0.63 0.10 1.96 -1.16 0.00 0.00 179.01 181.08 1qfm h GLN 38 N 0.58 0.22 -0.47 2.33 7.50 -1.95 0.18 115.11 123.50 1qfm h GLN 38 Ca 0.12 -0.02 -0.10 0.00 0.50 0.00 0.00 58.65 59.15 1qfm h GLN 38 Cb 0.38 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 1qfm h GLN 38 CO 0.01 0.20 -0.11 1.15 -1.50 0.00 0.00 178.83 178.59 1qfm h THR 39 N 0.18 1.27 -0.77 -0.54 2.02 -1.75 -1.22 112.91 112.11 1qfm h THR 39 Ca 0.06 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 1qfm h THR 39 Cb 0.04 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1qfm h THR 39 CO -0.01 0.43 0.36 0.11 0.37 0.00 0.00 175.52 176.78 1qfm h LYS 40 N 0.76 1.11 -0.29 6.66 1.57 -1.14 -0.81 116.57 124.43 1qfm h LYS 40 Ca 0.12 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1qfm h LYS 40 Cb 0.66 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1qfm h LYS 40 CO 0.05 0.86 -0.32 0.00 -0.57 0.00 0.00 179.45 179.46 1qfm h ALA 41 N 1.30 0.90 -0.14 3.86 0.00 -0.78 -1.78 119.26 122.62 1qfm h ALA 41 Ca 0.26 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qfm h ALA 41 Cb 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1qfm h ALA 41 CO -0.03 0.62 0.07 0.35 0.00 0.00 0.00 179.25 180.26 1qfm h PHE 42 N 0.52 0.19 -0.45 0.00 3.57 -0.42 -0.78 116.94 119.57 1qfm h PHE 42 Ca 0.06 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1qfm h PHE 42 Cb 0.81 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 1qfm h PHE 42 CO 0.03 0.22 0.29 0.28 -2.23 0.00 0.00 178.31 176.91 1qfm h VAL 43 N 0.11 1.12 -0.32 1.41 2.07 -1.02 -1.32 116.25 118.30 1qfm h VAL 43 Ca 0.05 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1qfm h VAL 43 Cb 0.10 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1qfm h VAL 43 CO -0.01 0.12 0.20 -0.33 0.02 0.00 0.00 177.57 177.58 1qfm h GLU 44 N 0.61 0.43 -0.47 1.57 5.08 -1.14 -0.60 114.58 120.06 1qfm h GLU 44 Ca 0.17 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1qfm h GLU 44 Cb -0.06 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1qfm h GLU 44 CO -0.03 0.31 0.17 0.00 -1.00 0.00 0.00 179.01 178.45 1qfm h ALA 45 N 1.10 1.40 -0.11 3.43 0.00 -0.90 -0.72 119.26 123.46 1qfm h ALA 45 Ca 0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1qfm h ALA 45 Cb -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1qfm h ALA 45 CO -0.02 0.45 -0.17 1.96 0.00 0.00 0.00 179.25 181.46 1qfm h GLN 46 N 0.68 0.30 -0.08 0.00 1.08 -0.82 -3.08 115.11 113.19 1qfm h GLN 46 Ca 0.16 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1qfm h GLN 46 Cb 0.17 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1qfm h GLN 46 CO -0.01 0.76 -0.09 -0.91 -0.95 0.00 0.00 178.83 177.63 1qfm h ASN 47 N -0.12 0.11 -0.26 1.46 2.35 -0.91 -2.00 115.58 116.20 1qfm h ASN 47 Ca 0.01 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1qfm h ASN 47 Cb 0.73 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 1qfm h ASN 47 CO 0.04 0.22 0.14 0.11 -1.65 0.00 0.00 177.43 176.29 1qfm h LYS 48 N 0.12 0.40 0.02 0.81 1.57 -1.04 -1.62 116.57 116.82 1qfm h LYS 48 Ca 0.03 -0.04 -0.32 0.00 -1.87 0.00 0.00 60.65 58.45 1qfm h LYS 48 Cb 0.23 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1qfm h LYS 48 CO 0.01 0.32 -1.89 0.44 -0.57 0.00 0.00 179.45 177.76 1qfm n ILE 49 N -4.44 1.59 -0.04 1.86 -5.35 -0.95 -4.37 119.36 107.66 1qfm n ILE 49 Ca 0.01 -0.78 -0.13 0.00 -0.27 0.00 0.00 62.75 61.58 1qfm n ILE 49 Cb 0.11 -1.04 -0.08 0.00 -1.74 0.00 0.00 39.64 36.89 1qfm n ILE 49 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1qfm h THR 50 N 0.01 1.38 -0.13 7.28 2.02 -1.20 -3.12 112.91 119.14 1qfm h THR 50 Ca -0.36 -1.36 0.03 0.00 0.77 0.00 0.00 66.41 65.48 1qfm h THR 50 Cb 2.05 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 70.48 1qfm h THR 50 CO 0.07 0.39 -0.03 0.58 0.37 0.00 0.00 175.52 176.90 1qfm h VAL 51 N -0.15 0.87 -0.20 3.16 2.07 -1.53 -1.13 116.25 119.34 1qfm h VAL 51 Ca 0.01 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1qfm h VAL 51 Cb 0.69 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1qfm h VAL 51 CO 0.03 0.00 -0.05 -0.65 0.02 0.00 0.00 177.57 176.93 1qfm h PRO 52 N 0.01 0.31 -0.55 1.57 0.11 -1.76 -1.17 132.00 130.51 1qfm h PRO 52 Ca 0.06 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 1qfm h PRO 52 Cb 0.09 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1qfm h PRO 52 CO -0.13 0.37 0.21 0.35 -0.21 0.00 0.00 178.00 178.59 1qfm h PHE 53 N 0.30 0.85 -0.03 0.65 3.57 -1.31 0.25 116.94 121.22 1qfm h PHE 53 Ca 0.07 -0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 1qfm h PHE 53 Cb 0.28 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1qfm h PHE 53 CO 0.01 0.70 -0.57 -0.07 -2.23 0.00 0.00 178.31 176.15 1qfm h LEU 54 N 0.75 0.12 -1.23 0.59 3.38 -0.75 -3.27 115.31 114.90 1qfm h LEU 54 Ca 0.18 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1qfm h LEU 54 Cb 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1qfm h LEU 54 CO -0.01 0.66 -0.30 -0.62 0.09 0.00 0.00 178.44 178.25 1qfm n GLU 55 N -3.88 1.52 0.00 1.13 1.02 -0.49 -4.64 120.64 115.31 1qfm n GLU 55 Ca -0.02 -1.23 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 1qfm n GLU 55 Cb 0.58 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1qfm n GLU 55 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1qfm n GLN 56 N 0.33 0.00 -0.02 3.49 7.27 0.06 -4.96 117.38 123.55 1qfm n GLN 56 Ca 0.11 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.25 1qfm n GLN 56 Cb 0.49 -1.13 -0.16 0.00 2.41 0.00 0.00 30.24 31.85 1qfm n GLN 56 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1qfm n PRO 58 N -0.62 0.66 -0.29 3.69 -0.02 -1.26 -5.07 135.00 132.08 1qfm n PRO 58 Ca 0.00 -0.16 0.07 0.00 -2.02 0.00 0.00 63.50 61.39 1qfm n PRO 58 Cb 0.00 -1.48 0.22 0.00 -0.02 0.00 0.00 33.50 32.22 1qfm n PRO 58 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1qfm h ILE 59 N 0.00 0.73 -0.83 4.25 6.09 -1.95 -1.88 117.51 123.92 1qfm h ILE 59 Ca -0.08 -0.21 0.01 0.00 -1.37 0.00 0.00 64.86 63.20 1qfm h ILE 59 Cb 1.12 0.05 -0.04 0.00 0.47 0.00 0.00 36.82 38.42 1qfm h ILE 59 CO 0.00 0.11 0.55 -0.09 -3.07 0.00 0.00 178.15 175.66 1qfm h ARG 60 N 0.62 1.10 -0.54 2.19 2.43 -1.88 -0.15 114.38 118.15 1qfm h ARG 60 Ca 0.46 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.45 1qfm h ARG 60 Cb 0.64 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1qfm h ARG 60 CO -0.36 0.73 -0.10 0.78 -1.51 0.00 0.00 179.97 179.51 1qfm h GLY 61 N 1.13 1.09 0.94 2.80 0.00 -1.74 0.46 103.07 107.75 1qfm h GLY 61 Ca 0.30 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1qfm h GLY 61 CO -0.07 0.79 0.15 1.41 0.00 0.00 0.00 176.54 178.83 1qfm h LEU 62 N 0.90 0.49 -0.22 3.11 3.38 -0.85 -0.88 115.31 121.24 1qfm h LEU 62 Ca 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1qfm h LEU 62 Cb 0.66 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1qfm h LEU 62 CO 0.05 0.51 0.07 0.22 0.09 0.00 0.00 178.44 179.38 1qfm h TYR 63 N 0.44 0.36 -0.81 1.13 3.20 -0.88 -2.09 116.97 118.32 1qfm h TYR 63 Ca 0.12 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1qfm h TYR 63 Cb 0.17 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1qfm h TYR 63 CO -0.01 0.43 0.53 -0.22 -1.64 0.00 0.00 178.16 177.26 1qfm h LYS 64 N 0.19 1.03 -0.06 1.82 3.64 -0.79 0.11 116.57 122.51 1qfm h LYS 64 Ca 0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1qfm h LYS 64 Cb 0.24 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1qfm h LYS 64 CO -0.00 0.68 0.04 0.93 -2.27 0.00 0.00 179.45 178.83 1qfm h GLU 65 N 1.07 0.08 -0.69 1.90 5.08 -1.03 -0.41 114.58 120.58 1qfm h GLU 65 Ca 0.30 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1qfm h GLU 65 Cb -0.08 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1qfm h GLU 65 CO -0.08 0.06 0.24 -0.09 -1.00 0.00 0.00 179.01 178.14 1qfm h ARG 66 N 0.08 1.06 -0.38 2.33 9.65 -0.93 -1.31 114.38 124.87 1qfm h ARG 66 Ca 0.02 -0.21 -0.02 0.00 -1.10 0.00 0.00 59.98 58.67 1qfm h ARG 66 Cb -0.00 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.40 1qfm h ARG 66 CO -0.00 0.90 0.16 1.98 2.80 0.00 0.00 179.97 185.80 1qfm h MET 67 N 1.00 0.57 -0.53 0.20 4.05 -0.61 0.82 114.93 120.44 1qfm h MET 67 Ca 0.23 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 1qfm h MET 67 Cb 0.26 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 1qfm h MET 67 CO -0.01 0.53 0.21 1.15 0.23 0.00 0.00 176.91 179.02 1qfm h THR 68 N 0.48 1.19 0.06 -0.77 2.02 -0.84 0.25 112.91 115.30 1qfm h THR 68 Ca 0.13 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 1qfm h THR 68 Cb 0.17 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1qfm h THR 68 CO -0.01 0.24 -0.03 -0.33 0.37 0.00 0.00 175.52 175.76 1qfm h GLU 69 N 0.75 -0.08 -0.11 6.66 5.08 -0.91 -3.18 114.58 122.78 1qfm h GLU 69 Ca 0.18 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 1qfm h GLU 69 Cb 0.15 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1qfm h GLU 69 CO -0.02 0.50 -0.53 -0.07 -1.00 0.00 0.00 179.01 177.89 1qfm h LEU 70 N -0.76 0.35 -0.01 1.33 3.38 -0.69 -2.84 115.31 116.06 1qfm h LEU 70 Ca -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1qfm h LEU 70 Cb 0.61 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1qfm h LEU 70 CO 0.01 0.81 0.00 0.00 0.09 0.00 0.00 178.44 179.36 1qfm n TYR 71 N -3.94 0.05 -2.61 1.13 9.36 0.87 -4.38 117.16 117.64 1qfm n TYR 71 Ca -0.02 0.02 -0.43 0.00 3.32 0.00 0.00 57.90 60.78 1qfm n TYR 71 Cb 0.57 -0.53 0.00 0.00 -0.63 0.00 0.00 39.34 38.75 1qfm n TYR 71 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1qfm n ASP 72 N -1.55 4.95 -3.88 2.98 2.03 -1.07 -4.71 116.55 115.29 1qfm n ASP 72 Ca 0.06 -2.93 -0.11 0.00 0.52 0.00 0.00 54.79 52.32 1qfm n ASP 72 Cb 0.30 -1.69 -0.11 0.00 -0.72 0.00 0.00 41.12 38.89 1qfm n ASP 72 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1qfm s TYR 73 N 3.37 0.03 0.13 -0.67 -0.85 -1.26 -4.97 117.35 113.14 1qfm s TYR 73 Ca 0.50 -0.07 -0.33 0.00 -0.52 0.00 0.00 57.07 56.65 1qfm s TYR 73 Cb 0.03 -0.05 -0.12 0.00 0.38 0.00 0.00 41.96 42.20 1qfm s TYR 73 CO 0.05 -0.18 1.73 -0.35 -1.52 0.00 0.00 175.55 175.28 1qfm n PRO 74 N 2.07 2.51 -4.08 -3.49 -0.04 -1.23 -3.98 135.00 126.76 1qfm n PRO 74 Ca -0.19 0.91 -0.33 0.00 -0.04 0.00 0.00 63.50 63.84 1qfm n PRO 74 Cb 0.57 -2.74 -0.16 0.00 -0.04 0.00 0.00 33.50 31.13 1qfm n PRO 74 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1qfm s LYS 75 N 1.91 2.98 0.13 0.54 1.02 -0.19 -4.90 119.74 121.23 1qfm s LYS 75 Ca 0.80 -0.84 0.10 0.00 0.02 0.00 0.00 55.97 56.05 1qfm s LYS 75 Cb -0.58 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1qfm s LYS 75 CO 0.38 -0.24 -0.22 0.71 -0.92 0.00 0.00 175.35 175.06 1qfm s TYR 76 N 1.30 2.43 0.37 3.18 1.51 -1.26 -0.84 117.35 124.05 1qfm s TYR 76 Ca 0.04 -0.31 0.07 0.00 -1.01 0.00 0.00 57.07 55.86 1qfm s TYR 76 Cb -0.14 -1.30 -0.01 0.00 -0.11 0.00 0.00 41.96 40.40 1qfm s TYR 76 CO -0.11 0.37 0.43 -1.54 -1.11 0.00 0.00 175.55 173.59 1qfm s SER 77 N -2.15 5.50 0.64 2.29 1.04 -0.57 -5.00 113.70 115.46 1qfm s SER 77 Ca 0.17 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 56.02 1qfm s SER 77 Cb -0.10 -0.87 -0.02 0.00 0.10 0.00 0.00 66.02 65.12 1qfm s SER 77 CO 0.08 -0.54 1.04 0.00 0.98 0.00 0.00 173.24 174.81 1qfm s HIS 79 N -3.00 2.85 -0.13 0.00 3.76 -1.26 -4.60 115.29 112.91 1qfm s HIS 79 Ca 0.57 1.51 -0.11 0.00 -0.15 0.00 0.00 55.06 56.88 1qfm s HIS 79 Cb -0.13 -3.03 0.03 0.00 1.11 0.00 0.00 32.58 30.57 1qfm s HIS 79 CO 0.51 -1.41 0.33 -0.59 -0.85 0.00 0.00 174.74 172.73 1qfm s PHE 80 N -2.63 -0.37 -0.12 1.40 -0.12 -0.28 -4.65 117.98 111.20 1qfm s PHE 80 Ca 0.63 0.90 -0.09 0.00 -0.05 0.00 0.00 56.93 58.32 1qfm s PHE 80 Cb -0.17 0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.30 1qfm s PHE 80 CO 0.45 -0.18 0.17 0.21 -0.05 0.00 0.00 175.22 175.83 1qfm s LYS 81 N 0.24 3.62 -0.13 1.99 2.20 -1.26 -0.41 119.74 125.99 1qfm s LYS 81 Ca -0.01 -0.07 -0.03 0.00 -0.36 0.00 0.00 55.97 55.50 1qfm s LYS 81 Cb -0.03 -3.23 0.05 0.00 -1.51 0.00 0.00 37.83 33.11 1qfm s LYS 81 CO -0.00 0.69 0.05 0.15 -0.36 0.00 0.00 175.35 175.88 1qfm s LYS 82 N -0.80 0.28 7.03 4.03 -0.14 -0.30 -5.00 119.74 124.83 1qfm s LYS 82 Ca 0.15 -0.03 0.00 0.00 -1.36 0.00 0.00 55.97 54.73 1qfm s LYS 82 Cb -0.12 -1.45 0.00 0.00 -1.68 0.00 0.00 37.83 34.57 1qfm s LYS 82 CO 0.04 -0.52 0.00 0.41 -0.76 0.00 0.00 175.35 174.52 1qfm n GLY 83 N 5.20 2.46 1.68 -3.33 0.00 -1.26 -2.15 105.19 107.80 1qfm n GLY 83 Ca -0.07 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.69 1qfm n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qfm n LYS 84 N 13.34 4.17 -4.31 1.61 2.85 -1.26 -4.95 118.16 129.61 1qfm n LYS 84 Ca 0.00 -2.85 -0.20 0.00 -1.05 0.00 0.00 58.31 54.21 1qfm n LYS 84 Cb 0.00 -2.06 -0.11 0.00 -0.65 0.00 0.00 35.03 32.22 1qfm n LYS 84 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1qfm s ARG 85 N -2.26 1.23 0.04 -1.58 0.52 -0.92 -4.69 118.95 111.29 1qfm s ARG 85 Ca 0.50 -1.42 0.03 0.00 -0.52 0.00 0.00 55.73 54.32 1qfm s ARG 85 Cb 0.35 -1.16 -0.04 0.00 0.52 0.00 0.00 34.95 34.63 1qfm s ARG 85 CO 0.19 0.22 -0.01 0.71 0.02 0.00 0.00 175.30 176.43 1qfm s TYR 86 N -2.37 3.02 0.10 -0.53 1.51 0.06 -1.15 117.35 117.99 1qfm s TYR 86 Ca 0.16 0.02 0.04 0.00 -1.01 0.00 0.00 57.07 56.28 1qfm s TYR 86 Cb -0.04 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1qfm s TYR 86 CO 0.06 0.46 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.80 1qfm s PHE 87 N -1.18 1.07 -0.09 2.71 0.40 0.45 -1.02 117.98 120.31 1qfm s PHE 87 Ca 0.22 -0.66 -0.30 0.00 -0.60 0.00 0.00 56.93 55.59 1qfm s PHE 87 Cb -0.12 -0.58 0.11 0.00 0.51 0.00 0.00 43.02 42.94 1qfm s PHE 87 CO 0.14 -0.00 0.88 1.52 0.70 0.00 0.00 175.22 178.46 1qfm s TYR 88 N -2.50 -0.45 0.08 0.36 -0.85 -0.97 -1.13 117.35 111.89 1qfm s TYR 88 Ca 0.06 0.68 -0.06 0.00 -0.52 0.00 0.00 57.07 57.23 1qfm s TYR 88 Cb -0.02 0.46 -0.05 0.00 0.38 0.00 0.00 41.96 42.72 1qfm s TYR 88 CO -0.00 -0.47 0.33 -0.06 -1.52 0.00 0.00 175.55 173.84 1qfm s PHE 89 N -1.58 3.54 -0.18 -3.49 0.40 -1.26 -0.48 117.98 114.93 1qfm s PHE 89 Ca -0.03 0.59 -0.15 0.00 -0.60 0.00 0.00 56.93 56.74 1qfm s PHE 89 Cb -0.00 -2.02 0.05 0.00 0.51 0.00 0.00 43.02 41.56 1qfm s PHE 89 CO 0.01 0.52 0.46 -0.47 0.70 0.00 0.00 175.22 176.45 1qfm s TYR 90 N -1.47 -0.53 -0.11 0.36 5.04 0.51 -1.51 117.35 119.64 1qfm s TYR 90 Ca 0.34 1.27 0.00 0.00 -2.44 0.00 0.00 57.07 56.24 1qfm s TYR 90 Cb -0.13 0.19 0.02 0.00 0.35 0.00 0.00 41.96 42.40 1qfm s TYR 90 CO 0.21 -0.26 -0.09 1.21 -1.34 0.00 0.00 175.55 175.27 1qfm s ASN 91 N 0.39 2.22 0.63 4.32 3.84 -0.02 -0.76 114.94 125.57 1qfm s ASN 91 Ca -0.01 -0.33 0.36 0.00 0.21 0.00 0.00 52.86 53.08 1qfm s ASN 91 Cb -0.04 -0.90 2.01 0.00 -0.55 0.00 0.00 41.25 41.77 1qfm s ASN 91 CO -0.01 -0.09 2.22 0.71 -2.79 0.00 0.00 177.10 177.14 1qfm h THR 92 N 6.13 0.22 0.00 -5.21 1.35 -1.89 -0.48 112.91 113.03 1qfm h THR 92 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1qfm h THR 92 Cb 1.14 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1qfm h THR 92 CO 0.44 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.32 1qfm n GLY 93 N -1.23 0.23 0.20 5.82 0.00 -1.26 -3.53 105.19 105.42 1qfm n GLY 93 Ca -0.02 0.18 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1qfm n GLY 93 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qfm n LEU 94 N 0.00 2.45 -4.76 0.99 4.77 -1.26 -4.41 117.00 114.78 1qfm n LEU 94 Ca 0.00 -2.56 -0.39 0.00 -0.03 0.00 0.00 56.01 53.04 1qfm n LEU 94 Cb 0.00 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 40.85 1qfm n LEU 94 CO 0.00 0.63 0.98 -1.10 -1.33 0.00 0.00 177.39 176.57 1qfm s GLN 95 N -1.97 3.58 0.34 3.23 -0.21 -1.26 -4.81 119.66 118.56 1qfm s GLN 95 Ca 0.20 2.21 0.02 0.00 0.02 0.00 0.00 55.36 57.81 1qfm s GLN 95 Cb 0.16 -2.52 0.59 0.00 1.00 0.00 0.00 33.01 32.25 1qfm s GLN 95 CO 0.04 -0.83 1.96 -0.91 -2.12 0.00 0.00 175.29 173.43 1qfm h ASN 96 N 2.09 0.72 -4.22 5.90 2.35 -1.95 -3.40 115.58 117.05 1qfm h ASN 96 Ca -0.50 -0.05 -0.41 0.00 -0.55 0.00 0.00 56.30 54.79 1qfm h ASN 96 Cb 1.27 -0.18 -0.27 0.00 0.05 0.00 0.00 38.32 39.19 1qfm h ASN 96 CO 0.60 0.58 -0.78 -1.10 -1.65 0.00 0.00 177.43 175.07 1qfm s GLN 97 N -5.56 0.82 0.64 0.81 -1.52 -1.26 -1.89 119.66 111.69 1qfm s GLN 97 Ca -0.10 -0.53 -0.15 0.00 -1.95 0.00 0.00 55.36 52.62 1qfm s GLN 97 Cb 0.17 -0.78 -0.01 0.00 -0.22 0.00 0.00 33.01 32.17 1qfm s GLN 97 CO 0.77 0.20 1.10 -0.98 -0.25 0.00 0.00 175.29 176.13 1qfm s ARG 98 N -0.69 2.94 -0.05 2.91 1.70 -1.26 -4.76 118.95 119.75 1qfm s ARG 98 Ca 0.02 1.37 0.02 0.00 -0.47 0.00 0.00 55.73 56.66 1qfm s ARG 98 Cb -0.06 -1.97 -0.03 0.00 -0.57 0.00 0.00 34.95 32.32 1qfm s ARG 98 CO 0.00 -1.13 -0.08 0.08 -1.08 0.00 0.00 175.30 173.09 1qfm s VAL 99 N -2.33 3.59 -0.21 4.99 1.01 0.06 -4.56 120.40 122.95 1qfm s VAL 99 Ca 0.67 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.88 1qfm s VAL 99 Cb -0.20 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1qfm s VAL 99 CO 0.40 0.56 0.55 -0.22 0.00 0.00 0.00 175.10 176.38 1qfm s LEU 100 N -0.92 4.12 0.26 3.92 2.96 -0.38 -0.36 118.68 128.28 1qfm s LEU 100 Ca 0.13 0.68 0.08 0.00 -0.22 0.00 0.00 54.13 54.81 1qfm s LEU 100 Cb -0.11 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 1qfm s LEU 100 CO 0.02 -0.24 0.11 -0.31 -1.32 0.00 0.00 176.35 174.62 1qfm s TYR 101 N 1.89 2.93 0.02 5.38 1.51 0.37 -0.26 117.35 129.19 1qfm s TYR 101 Ca 0.25 -0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.15 1qfm s TYR 101 Cb -0.16 -1.32 -0.01 0.00 -0.11 0.00 0.00 41.96 40.36 1qfm s TYR 101 CO 0.10 0.56 -0.04 0.54 -1.11 0.00 0.00 175.55 175.59 1qfm s VAL 102 N -2.22 0.24 -0.04 0.71 0.11 -0.17 -2.30 120.40 116.72 1qfm s VAL 102 Ca 0.32 -0.64 -0.08 0.00 -2.93 0.00 0.00 61.98 58.65 1qfm s VAL 102 Cb -0.07 -0.30 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 1qfm s VAL 102 CO 0.23 -0.26 0.20 0.00 -3.33 0.00 0.00 175.10 171.94 1qfm s GLN 103 N -0.95 0.39 0.00 1.54 -2.07 -0.19 -0.85 119.66 117.53 1qfm s GLN 103 Ca -0.08 -0.00 0.24 0.00 -1.82 0.00 0.00 55.36 53.69 1qfm s GLN 103 Cb -0.07 0.17 1.01 0.00 -1.09 0.00 0.00 33.01 33.04 1qfm s GLN 103 CO -0.00 -0.08 1.76 -0.25 -1.32 0.00 0.00 175.29 175.39 1qfm n ASP 104 N 2.21 0.00 -3.58 12.60 10.43 -1.26 -0.76 116.55 136.19 1qfm n ASP 104 Ca -0.17 0.50 -0.07 0.00 2.57 0.00 0.00 54.79 57.62 1qfm n ASP 104 Cb 0.57 -0.50 -0.02 0.00 1.84 0.00 0.00 41.12 43.01 1qfm n ASP 104 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1qfm s SER 105 N -3.01 -0.33 0.38 -2.24 1.04 -1.26 -4.70 113.70 103.58 1qfm s SER 105 Ca 0.11 -0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.46 1qfm s SER 105 Cb 0.15 0.45 0.75 0.00 0.10 0.00 0.00 66.02 67.47 1qfm s SER 105 CO 0.43 -0.77 1.97 -0.07 0.98 0.00 0.00 173.24 175.78 1qfm h LEU 106 N 2.00 0.44 0.00 2.42 3.38 -1.99 -1.78 115.31 119.78 1qfm h LEU 106 Ca -0.24 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1qfm h LEU 106 Cb 1.25 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1qfm h LEU 106 CO 0.30 0.43 -0.49 -0.62 0.09 0.00 0.00 178.44 178.15 1qfm n GLU 107 N -4.37 0.08 -1.33 1.13 1.02 -1.26 -4.94 120.64 110.97 1qfm n GLU 107 Ca 0.02 0.02 -0.31 0.00 -0.02 0.00 0.00 57.16 56.87 1qfm n GLU 107 Cb 0.16 -1.55 0.08 0.00 -0.02 0.00 0.00 31.44 30.12 1qfm n GLU 107 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1qfm s GLY 108 N -3.17 1.68 0.18 0.62 0.00 -0.67 -5.00 107.32 100.97 1qfm s GLY 108 Ca 0.10 0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.76 1qfm s GLY 108 CO 0.69 0.58 1.23 1.85 0.00 0.00 0.00 173.10 177.45 1qfm s GLU 109 N -4.91 4.46 0.22 2.90 2.12 -1.26 -4.82 118.70 117.41 1qfm s GLU 109 Ca 0.61 1.92 -0.08 0.00 0.36 0.00 0.00 54.97 57.78 1qfm s GLU 109 Cb -0.17 -3.23 -0.07 0.00 0.26 0.00 0.00 34.13 30.93 1qfm s GLU 109 CO 0.55 -0.14 0.52 0.00 -0.54 0.00 0.00 175.26 175.65 1qfm s ALA 110 N 0.04 3.61 0.05 6.30 0.00 -1.26 -4.49 121.76 126.01 1qfm s ALA 110 Ca 0.54 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1qfm s ALA 110 Cb -0.34 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 1qfm s ALA 110 CO 0.37 0.50 -0.04 -0.98 0.00 0.00 0.00 175.76 175.60 1qfm s ARG 111 N -2.89 0.57 0.16 0.00 1.70 -0.03 -4.95 118.95 113.51 1qfm s ARG 111 Ca 0.46 -1.02 -0.31 0.00 -0.47 0.00 0.00 55.73 54.38 1qfm s ARG 111 Cb -0.11 0.04 -0.10 0.00 -0.57 0.00 0.00 34.95 34.21 1qfm s ARG 111 CO 0.23 -0.06 1.54 0.08 -1.08 0.00 0.00 175.30 176.01 1qfm s VAL 112 N -2.89 2.71 -0.18 4.99 1.01 -1.26 -1.00 120.40 123.78 1qfm s VAL 112 Ca -0.00 0.51 -0.10 0.00 0.00 0.00 0.00 61.98 62.39 1qfm s VAL 112 Cb 0.00 -3.33 -0.08 0.00 0.00 0.00 0.00 36.38 32.98 1qfm s VAL 112 CO -0.05 0.04 -0.25 0.33 0.00 0.00 0.00 175.10 175.17 1qfm n PHE 113 N 3.84 0.00 -3.65 5.22 7.35 0.65 -4.81 117.46 126.06 1qfm n PHE 113 Ca 0.13 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.60 1qfm n PHE 113 Cb 0.39 -0.63 -0.18 0.00 0.35 0.00 0.00 39.48 39.42 1qfm n PHE 113 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1qfm s LEU 114 N -7.14 0.22 -0.44 -2.13 2.96 -0.62 -4.96 118.68 106.57 1qfm s LEU 114 Ca -0.26 -0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1qfm s LEU 114 Cb 0.09 -0.18 0.12 0.00 0.50 0.00 0.00 46.19 46.72 1qfm s LEU 114 CO 0.33 -0.29 0.22 -0.62 -1.32 0.00 0.00 176.35 174.67 1qfm s ASP 115 N 2.16 5.16 0.60 3.68 -1.08 -1.26 -1.25 116.67 124.67 1qfm s ASP 115 Ca 0.04 -2.21 0.37 0.00 -0.52 0.00 0.00 52.55 50.23 1qfm s ASP 115 Cb -0.14 -1.80 1.85 0.00 -1.46 0.00 0.00 42.92 41.37 1qfm s ASP 115 CO -0.05 -0.49 2.18 -0.65 0.52 0.00 0.00 175.17 176.67 1qfm h PRO 116 N 7.78 0.00 -0.35 4.34 0.11 -1.90 -3.08 132.00 138.91 1qfm h PRO 116 Ca -0.10 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.05 1qfm h PRO 116 Cb 1.02 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1qfm h PRO 116 CO 0.68 0.03 0.23 -0.91 -0.21 0.00 0.00 178.00 177.82 1qfm h ASN 117 N 0.00 0.24 -0.00 -2.05 2.35 -1.86 -1.13 115.58 113.13 1qfm h ASN 117 Ca -0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1qfm h ASN 117 Cb 0.25 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1qfm h ASN 117 CO 0.00 0.16 0.00 2.30 -1.65 0.00 0.00 177.43 178.25 1qfm n ILE 118 N -4.48 0.00 1.09 2.81 -5.35 -1.16 -3.29 119.36 108.98 1qfm n ILE 118 Ca 0.04 -0.01 0.13 0.00 -0.27 0.00 0.00 62.75 62.63 1qfm n ILE 118 Cb 0.21 -0.39 0.38 0.00 -1.74 0.00 0.00 39.64 38.10 1qfm n ILE 118 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1qfm n LEU 119 N -0.88 0.48 -3.46 7.28 4.77 -0.43 -4.92 117.00 119.84 1qfm n LEU 119 Ca 0.21 0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 56.11 1qfm n LEU 119 Cb 0.11 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1qfm n LEU 119 CO 0.16 0.11 0.44 -0.94 -1.33 0.00 0.00 177.39 175.82 1qfm s SER 120 N -2.86 -0.58 0.20 -1.43 1.04 -1.21 -4.86 113.70 104.00 1qfm s SER 120 Ca 0.16 0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.80 1qfm s SER 120 Cb 0.18 0.56 0.13 0.00 0.10 0.00 0.00 66.02 67.00 1qfm s SER 120 CO 0.61 -0.83 1.50 0.44 0.98 0.00 0.00 173.24 175.95 1qfm h ASP 121 N 2.32 0.51 -0.45 7.02 5.19 -1.91 -3.30 116.42 125.79 1qfm h ASP 121 Ca -0.31 -0.29 0.00 0.00 -0.62 0.00 0.00 57.03 55.81 1qfm h ASP 121 Cb 1.25 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1qfm h ASP 121 CO 0.38 0.99 0.00 -0.90 -3.12 0.00 0.00 179.24 176.59 1qfm n ASP 122 N -3.92 3.60 -1.34 6.45 5.68 -1.26 -4.98 116.55 120.78 1qfm n ASP 122 Ca -0.03 -2.25 -0.14 0.00 -0.50 0.00 0.00 54.79 51.87 1qfm n ASP 122 Cb 0.63 -0.39 -0.03 0.00 -1.14 0.00 0.00 41.12 40.19 1qfm n ASP 122 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qfm n GLY 123 N 0.65 0.45 0.76 6.12 0.00 -1.24 -4.84 105.19 107.08 1qfm n GLY 123 Ca 0.18 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1qfm n GLY 123 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qfm n THR 124 N -3.46 0.42 -3.95 2.61 -2.24 -1.26 -4.11 114.28 102.30 1qfm n THR 124 Ca -0.15 -0.51 -0.35 0.00 -2.27 0.00 0.00 64.05 60.76 1qfm n THR 124 Cb 0.55 0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 69.08 1qfm n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1qfm s VAL 125 N -1.58 3.87 0.11 2.28 1.01 -1.26 -0.36 120.40 124.47 1qfm s VAL 125 Ca 0.32 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1qfm s VAL 125 Cb 0.17 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1qfm s VAL 125 CO 0.24 0.40 -0.13 0.00 0.00 0.00 0.00 175.10 175.62 1qfm s ALA 126 N 1.29 1.32 0.19 5.51 0.00 -0.25 -4.77 121.76 125.05 1qfm s ALA 126 Ca 0.04 -1.22 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 1qfm s ALA 126 Cb -0.15 -0.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 1qfm s ALA 126 CO 0.01 0.06 1.25 -1.17 0.00 0.00 0.00 175.76 175.91 1qfm s LEU 127 N -2.37 4.43 -0.36 0.00 2.96 -1.26 -0.81 118.68 121.27 1qfm s LEU 127 Ca 0.06 2.32 0.01 0.00 -0.22 0.00 0.00 54.13 56.31 1qfm s LEU 127 Cb -0.05 -3.61 0.15 0.00 0.50 0.00 0.00 46.19 43.18 1qfm s LEU 127 CO 0.02 -0.45 0.25 -0.60 -1.32 0.00 0.00 176.35 174.25 1qfm s ARG 128 N -0.21 0.60 0.00 1.98 6.06 0.17 -4.85 118.95 122.69 1qfm s ARG 128 Ca 0.55 -1.38 0.00 0.00 -2.50 0.00 0.00 55.73 52.40 1qfm s ARG 128 Cb -0.35 -1.24 0.00 0.00 0.06 0.00 0.00 34.95 33.43 1qfm s ARG 128 CO 0.38 -1.23 0.00 0.41 -2.50 0.00 0.00 175.30 172.35 1qfm n GLY 129 N 3.90 -0.96 3.52 8.12 0.00 -1.26 -3.80 105.19 114.71 1qfm n GLY 129 Ca 0.14 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 1qfm n GLY 129 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qfm s TYR 130 N -3.18 -0.36 -0.24 1.61 -0.85 -1.26 -0.67 117.35 112.40 1qfm s TYR 130 Ca 0.00 0.18 -0.12 0.00 -0.52 0.00 0.00 57.07 56.61 1qfm s TYR 130 Cb 0.00 0.56 0.08 0.00 0.38 0.00 0.00 41.96 42.98 1qfm s TYR 130 CO 0.00 -0.66 0.57 0.00 -1.52 0.00 0.00 175.55 173.93 1qfm s ALA 131 N -3.30 -1.55 0.24 9.51 0.00 0.08 -4.90 121.76 121.84 1qfm s ALA 131 Ca 0.05 2.03 -0.08 0.00 0.00 0.00 0.00 51.96 53.96 1qfm s ALA 131 Cb -0.01 -1.29 -0.07 0.00 0.00 0.00 0.00 23.12 21.75 1qfm s ALA 131 CO -0.08 -0.44 0.55 -0.06 0.00 0.00 0.00 175.76 175.72 1qfm s PHE 132 N 1.80 3.44 0.88 0.00 0.40 -1.26 -0.93 117.98 122.31 1qfm s PHE 132 Ca -0.09 0.81 -0.11 0.00 -0.60 0.00 0.00 56.93 56.95 1qfm s PHE 132 Cb -0.08 -2.22 0.12 0.00 0.51 0.00 0.00 43.02 41.36 1qfm s PHE 132 CO -0.17 0.25 1.10 -1.54 0.70 0.00 0.00 175.22 175.56 1qfm s SER 133 N -2.55 3.46 0.29 1.36 1.04 -0.13 -4.70 113.70 112.47 1qfm s SER 133 Ca 0.46 1.80 0.02 0.00 0.48 0.00 0.00 55.95 58.71 1qfm s SER 133 Cb -0.11 -2.41 0.59 0.00 0.10 0.00 0.00 66.02 64.18 1qfm s SER 133 CO 0.23 -2.69 1.84 -0.08 0.98 0.00 0.00 173.24 173.52 1qfm h GLU 134 N -1.59 0.93 -0.00 4.02 4.57 -1.87 0.28 114.58 120.92 1qfm h GLU 134 Ca -0.47 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1qfm h GLU 134 Cb 1.27 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1qfm h GLU 134 CO 0.50 0.62 -0.03 -0.40 -1.18 0.00 0.00 179.01 178.51 1qfm n ASP 135 N -4.61 0.36 -0.07 1.04 5.68 -1.26 -4.58 116.55 113.10 1qfm n ASP 135 Ca 0.19 -0.82 -0.01 0.00 -0.50 0.00 0.00 54.79 53.65 1qfm n ASP 135 Cb 0.37 -0.06 -0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1qfm n ASP 135 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qfm n GLY 136 N 1.15 0.37 0.04 6.12 0.00 0.09 -3.98 105.19 108.98 1qfm n GLY 136 Ca 0.19 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1qfm n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qfm n GLU 137 N -1.45 0.26 -4.24 1.61 -0.58 -1.26 -4.74 120.64 110.23 1qfm n GLU 137 Ca -0.01 0.04 -0.19 0.00 -0.42 0.00 0.00 57.16 56.58 1qfm n GLU 137 Cb 0.22 -1.63 -0.11 0.00 -0.57 0.00 0.00 31.44 29.35 1qfm n GLU 137 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1qfm s TYR 138 N -3.16 1.46 -0.02 -0.32 1.51 -1.26 -0.88 117.35 114.68 1qfm s TYR 138 Ca 0.06 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 1qfm s TYR 138 Cb 0.14 -0.78 0.03 0.00 -0.11 0.00 0.00 41.96 41.25 1qfm s TYR 138 CO 0.75 0.15 0.03 0.12 -1.11 0.00 0.00 175.55 175.49 1qfm s PHE 139 N -1.81 0.07 -0.06 2.71 5.36 0.11 -0.96 117.98 123.40 1qfm s PHE 139 Ca 0.07 0.11 0.02 0.00 -0.96 0.00 0.00 56.93 56.18 1qfm s PHE 139 Cb -0.07 -0.27 -0.03 0.00 -0.34 0.00 0.00 43.02 42.32 1qfm s PHE 139 CO 0.03 -0.10 -0.12 0.00 -1.46 0.00 0.00 175.22 173.58 1qfm s ALA 140 N 1.09 2.75 -0.06 11.12 0.00 -0.11 -0.69 121.76 135.87 1qfm s ALA 140 Ca -0.09 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 1qfm s ALA 140 Cb -0.13 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 21.94 1qfm s ALA 140 CO -0.03 0.53 0.21 1.52 0.00 0.00 0.00 175.76 177.99 1qfm s TYR 141 N -0.66 -0.18 0.04 0.00 -0.85 -0.14 -0.74 117.35 114.83 1qfm s TYR 141 Ca 0.10 0.41 -0.09 0.00 -0.52 0.00 0.00 57.07 56.97 1qfm s TYR 141 Cb -0.11 0.06 -0.05 0.00 0.38 0.00 0.00 41.96 42.23 1qfm s TYR 141 CO 0.01 -0.17 0.35 0.20 -1.52 0.00 0.00 175.55 174.42 1qfm s GLY 142 N -0.28 2.33 -0.07 5.49 0.00 0.15 -0.63 107.32 114.30 1qfm s GLY 142 Ca -0.04 -0.43 0.04 0.00 0.00 0.00 0.00 44.72 44.29 1qfm s GLY 142 CO 0.01 -0.19 -0.20 1.08 0.00 0.00 0.00 173.10 173.80 1qfm s LEU 143 N -1.69 1.93 -0.03 0.66 1.43 0.12 -0.66 118.68 120.43 1qfm s LEU 143 Ca 0.29 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.01 1qfm s LEU 143 Cb -0.14 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 1qfm s LEU 143 CO 0.16 0.14 -0.22 -0.44 0.23 0.00 0.00 176.35 176.22 1qfm s SER 144 N 0.29 3.42 -0.09 2.29 0.01 0.01 -1.66 113.70 117.97 1qfm s SER 144 Ca -0.12 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 56.76 1qfm s SER 144 Cb -0.15 -0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.48 1qfm s SER 144 CO 0.05 0.32 -0.05 0.00 0.41 0.00 0.00 173.24 173.98 1qfm s ALA 145 N -0.61 3.03 -1.71 1.44 0.00 -1.26 -1.09 121.76 121.56 1qfm s ALA 145 Ca 0.09 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1qfm s ALA 145 Cb -0.11 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1qfm s ALA 145 CO -0.00 0.48 0.00 0.43 0.00 0.00 0.00 175.76 176.67 1qfm n SER 146 N 2.58 -5.07 0.00 0.00 7.64 0.51 -2.06 113.62 117.22 1qfm n SER 146 Ca -0.18 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1qfm n SER 146 Cb 0.53 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.37 1qfm n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qfm n GLY 147 N -0.69 0.90 3.76 0.23 0.00 -1.26 -2.21 105.19 105.92 1qfm n GLY 147 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1qfm n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qfm s SER 148 N -2.94 5.25 0.48 1.61 0.15 -0.87 -3.99 113.70 113.38 1qfm s SER 148 Ca 0.00 2.20 0.27 0.00 0.70 0.00 0.00 55.95 59.12 1qfm s SER 148 Cb 0.00 -2.58 1.02 0.00 -1.71 0.00 0.00 66.02 62.75 1qfm s SER 148 CO 0.00 -1.54 1.86 0.44 1.20 0.00 0.00 173.24 175.20 1qfm h ASP 149 N 0.63 0.00 -3.79 5.45 3.32 -1.90 -3.41 116.42 116.71 1qfm h ASP 149 Ca -0.49 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.02 1qfm h ASP 149 Cb 1.27 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.93 1qfm h ASP 149 CO 0.55 0.13 0.76 0.79 -1.72 0.00 0.00 179.24 179.75 1qfm n TRP 150 N -3.26 2.91 -4.51 4.55 7.02 -1.26 -4.59 117.44 118.31 1qfm n TRP 150 Ca 0.01 0.44 -0.24 0.00 -1.02 0.00 0.00 57.50 56.68 1qfm n TRP 150 Cb 0.40 -2.53 -0.14 0.00 -2.42 0.00 0.00 31.31 26.62 1qfm n TRP 150 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1qfm s VAL 151 N -1.00 1.56 -0.18 -0.99 1.01 0.45 -4.37 120.40 116.88 1qfm s VAL 151 Ca 0.54 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1qfm s VAL 151 Cb -0.49 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1qfm s VAL 151 CO 0.62 0.11 -0.19 -0.89 0.00 0.00 0.00 175.10 174.76 1qfm s THR 152 N -0.88 2.20 -0.14 3.92 2.01 -0.66 -3.28 115.64 118.80 1qfm s THR 152 Ca 0.06 -0.90 -0.17 0.00 0.31 0.00 0.00 61.69 60.99 1qfm s THR 152 Cb -0.09 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1qfm s THR 152 CO 0.02 0.53 0.43 -0.63 -0.69 0.00 0.00 174.62 174.28 1qfm s ILE 153 N 1.22 5.21 0.37 1.82 1.01 -0.23 -0.71 121.20 129.89 1qfm s ILE 153 Ca 0.03 0.84 0.08 0.00 0.00 0.00 0.00 60.65 61.60 1qfm s ILE 153 Cb -0.14 -3.77 -0.07 0.00 0.01 0.00 0.00 42.46 38.49 1qfm s ILE 153 CO -0.10 0.32 -0.05 -0.54 0.00 0.00 0.00 174.94 174.57 1qfm s LYS 154 N 0.76 1.87 0.09 2.79 1.02 0.20 -1.06 119.74 125.40 1qfm s LYS 154 Ca 0.23 -2.01 0.04 0.00 0.02 0.00 0.00 55.97 54.25 1qfm s LYS 154 Cb -0.15 -1.66 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 1qfm s LYS 154 CO 0.09 0.06 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.41 1qfm s PHE 155 N -2.66 1.02 -0.01 3.18 0.40 -1.24 -0.96 117.98 117.70 1qfm s PHE 155 Ca 0.34 -0.62 -0.09 0.00 -0.60 0.00 0.00 56.93 55.96 1qfm s PHE 155 Cb 0.06 -0.57 0.01 0.00 0.51 0.00 0.00 43.02 43.03 1qfm s PHE 155 CO 0.17 -0.01 0.19 -1.64 0.70 0.00 0.00 175.22 174.63 1qfm s MET 156 N -2.51 0.49 -0.14 0.44 -1.94 0.13 -1.51 119.30 114.26 1qfm s MET 156 Ca 0.02 -0.24 -0.20 0.00 -1.71 0.00 0.00 55.69 53.57 1qfm s MET 156 Cb -0.05 0.21 -0.04 0.00 2.01 0.00 0.00 34.83 36.97 1qfm s MET 156 CO 0.00 -0.12 0.56 0.21 -0.01 0.00 0.00 175.02 175.66 1qfm s LYS 157 N -1.13 4.31 0.10 2.03 2.20 0.30 -0.71 119.74 126.83 1qfm s LYS 157 Ca -0.12 0.56 -0.23 0.00 -0.36 0.00 0.00 55.97 55.82 1qfm s LYS 157 Cb -0.06 -3.49 -0.13 0.00 -1.51 0.00 0.00 37.83 32.64 1qfm s LYS 157 CO 0.02 0.01 1.73 0.28 -0.36 0.00 0.00 175.35 177.03 1qfm h VAL 158 N 4.89 0.95 -2.33 4.02 2.07 -1.31 -1.44 116.25 123.11 1qfm h VAL 158 Ca -0.38 0.00 -0.57 0.00 0.82 0.00 0.00 66.70 66.57 1qfm h VAL 158 Cb 1.17 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1qfm h VAL 158 CO 0.76 0.00 1.38 -0.62 0.02 0.00 0.00 177.57 179.11 1qfm s ASP 159 N -5.17 5.63 0.00 0.57 3.68 -1.26 -1.20 116.67 118.92 1qfm s ASP 159 Ca -0.13 1.50 0.00 0.00 2.13 0.00 0.00 52.55 56.05 1qfm s ASP 159 Cb 0.07 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 39.02 1qfm s ASP 159 CO 0.66 -1.88 0.00 0.61 0.13 0.00 0.00 175.17 174.69 1qfm n GLY 160 N 5.60 0.74 4.04 2.66 0.00 -1.26 -4.35 105.19 112.61 1qfm n GLY 160 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 1qfm n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfm n ALA 161 N -0.57 -2.05 -2.71 4.61 0.00 -0.35 -4.90 120.51 114.56 1qfm n ALA 161 Ca 0.00 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.71 1qfm n ALA 161 Cb 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.99 1qfm n ALA 161 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qfm s LYS 162 N -6.77 4.50 0.10 0.00 -0.14 -0.55 -4.88 119.74 112.00 1qfm s LYS 162 Ca 0.03 1.25 -0.30 0.00 -1.36 0.00 0.00 55.97 55.59 1qfm s LYS 162 Cb -0.01 -3.47 -0.06 0.00 -1.68 0.00 0.00 37.83 32.61 1qfm s LYS 162 CO 0.92 -0.07 1.07 -1.21 -0.76 0.00 0.00 175.35 175.30 1qfm s GLU 163 N 1.14 4.57 0.28 1.68 2.02 -1.26 -0.54 118.70 126.58 1qfm s GLU 163 Ca 0.47 1.61 0.07 0.00 0.02 0.00 0.00 54.97 57.14 1qfm s GLU 163 Cb -0.20 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 1qfm s GLU 163 CO 0.23 -0.00 0.31 -0.51 0.02 0.00 0.00 175.26 175.31 1qfm s LEU 164 N 0.34 3.91 0.43 1.80 1.43 -0.57 -4.90 118.68 121.12 1qfm s LEU 164 Ca 0.52 -0.22 0.23 0.00 -1.03 0.00 0.00 54.13 53.63 1qfm s LEU 164 Cb -0.26 -2.51 0.78 0.00 0.03 0.00 0.00 46.19 44.23 1qfm s LEU 164 CO 0.31 -0.19 1.76 -0.65 0.23 0.00 0.00 176.35 177.82 1qfm h PRO 165 N 1.25 0.00 -6.38 1.29 0.11 -1.97 -3.42 132.00 122.89 1qfm h PRO 165 Ca -0.48 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.01 1qfm h PRO 165 Cb 1.24 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.40 1qfm h PRO 165 CO 0.59 0.23 0.82 -0.25 -0.21 0.00 0.00 178.00 179.18 1qfm n ASP 166 N -3.32 2.86 -3.71 -2.05 9.92 -1.26 -4.99 116.55 114.00 1qfm n ASP 166 Ca 0.01 1.06 -0.17 0.00 -0.53 0.00 0.00 54.79 55.16 1qfm n ASP 166 Cb 0.47 -1.35 -0.17 0.00 -0.64 0.00 0.00 41.12 39.44 1qfm n ASP 166 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1qfm s VAL 167 N 1.84 -0.11 -0.18 2.53 1.01 -1.26 -3.67 120.40 120.56 1qfm s VAL 167 Ca 0.85 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 63.13 1qfm s VAL 167 Cb -0.76 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1qfm s VAL 167 CO 0.45 0.13 -0.09 -0.76 0.00 0.00 0.00 175.10 174.84 1qfm s LEU 168 N 1.70 2.80 0.42 3.92 1.43 -0.22 -4.58 118.68 124.14 1qfm s LEU 168 Ca -0.02 -0.37 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1qfm s LEU 168 Cb -0.12 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1qfm s LEU 168 CO -0.04 0.07 0.33 -1.61 0.23 0.00 0.00 176.35 175.33 1qfm s GLU 169 N 0.94 2.44 -1.29 1.70 0.41 -1.26 -1.07 118.70 120.57 1qfm s GLU 169 Ca -0.01 -1.64 0.00 0.00 -0.41 0.00 0.00 54.97 52.91 1qfm s GLU 169 Cb -0.15 -2.26 0.00 0.00 -1.78 0.00 0.00 34.13 29.94 1qfm s GLU 169 CO -0.00 -0.19 0.00 0.54 -0.49 0.00 0.00 175.26 175.12 1qfm n ARG 170 N -1.48 -1.01 -3.31 1.61 1.74 -1.26 -4.90 116.66 108.06 1qfm n ARG 170 Ca 0.02 0.81 -0.38 0.00 -0.77 0.00 0.00 57.85 57.53 1qfm n ARG 170 Cb 0.63 -4.97 -0.06 0.00 -1.02 0.00 0.00 32.46 27.04 1qfm n ARG 170 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1qfm s VAL 171 N -2.59 5.16 -0.23 1.55 1.01 -1.20 -1.25 120.40 122.85 1qfm s VAL 171 Ca 0.00 0.98 -0.22 0.00 0.00 0.00 0.00 61.98 62.74 1qfm s VAL 171 Cb 0.00 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.62 1qfm s VAL 171 CO 0.00 0.34 0.64 -0.75 0.00 0.00 0.00 175.10 175.33 1qfm s LYS 172 N 0.52 0.76 -1.37 2.72 2.20 -1.26 -0.42 119.74 122.89 1qfm s LYS 172 Ca 0.27 0.86 -0.03 0.00 -0.36 0.00 0.00 55.97 56.70 1qfm s LYS 172 Cb -0.15 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1qfm s LYS 172 CO 0.11 -0.10 0.46 1.19 -0.36 0.00 0.00 175.35 176.65 1qfm n PHE 173 N 2.66 -1.66 -2.27 4.03 0.99 -1.26 -4.76 117.46 115.18 1qfm n PHE 173 Ca -0.14 0.70 0.00 0.00 -0.00 0.00 0.00 57.45 58.01 1qfm n PHE 173 Cb 0.56 -3.68 0.00 0.00 -1.00 0.00 0.00 39.48 35.36 1qfm n PHE 173 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1qfm n SER 174 N -2.93 0.69 -3.44 4.37 2.88 -1.26 -4.92 113.62 109.00 1qfm n SER 174 Ca -0.28 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.26 1qfm n SER 174 Cb 0.67 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.09 1qfm n SER 174 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1qfm s MET 176 N 2.34 0.31 -0.15 -1.46 -1.94 -1.26 -4.93 119.30 112.20 1qfm s MET 176 Ca 0.00 0.73 -0.06 0.00 -1.71 0.00 0.00 55.69 54.66 1qfm s MET 176 Cb 0.00 0.40 0.07 0.00 2.01 0.00 0.00 34.83 37.31 1qfm s MET 176 CO 0.00 -0.10 0.32 0.00 -0.01 0.00 0.00 175.02 175.23 1qfm s ALA 177 N 2.30 -0.77 0.17 3.03 0.00 -0.89 -4.81 121.76 120.78 1qfm s ALA 177 Ca -0.04 1.14 -0.24 0.00 0.00 0.00 0.00 51.96 52.82 1qfm s ALA 177 Cb -0.06 -1.11 -0.08 0.00 0.00 0.00 0.00 23.12 21.88 1qfm s ALA 177 CO -0.17 -0.66 0.76 -1.58 0.00 0.00 0.00 175.76 174.11 1qfm s TRP 178 N 2.42 3.87 0.46 0.00 0.52 -1.26 -0.32 118.94 124.64 1qfm s TRP 178 Ca -0.00 1.59 -0.22 0.00 0.02 0.00 0.00 56.10 57.48 1qfm s TRP 178 Cb -0.12 -2.73 -0.08 0.00 -1.15 0.00 0.00 33.47 29.39 1qfm s TRP 178 CO -0.10 0.50 1.09 0.95 0.02 0.00 0.00 176.95 179.41 1qfm s THR 179 N -1.19 3.48 -0.96 2.01 -4.23 -0.77 -4.81 115.64 109.18 1qfm s THR 179 Ca 0.36 1.03 0.11 0.00 -1.18 0.00 0.00 61.69 62.02 1qfm s THR 179 Cb -0.22 -3.48 0.10 0.00 1.34 0.00 0.00 72.50 70.23 1qfm s THR 179 CO 0.25 -0.09 1.36 1.41 -0.54 0.00 0.00 174.62 177.01 1qfm n HIS 180 N -0.63 0.06 1.60 3.99 -0.00 -1.26 -1.42 115.22 117.56 1qfm n HIS 180 Ca 0.08 0.02 0.15 0.00 -0.00 0.00 0.00 57.72 57.97 1qfm n HIS 180 Cb 0.50 -0.54 0.81 0.00 -0.00 0.00 0.00 29.99 30.77 1qfm n HIS 180 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1qfm n ASP 181 N -1.55 0.00 -0.05 0.41 5.68 -1.26 -4.88 116.55 114.90 1qfm n ASP 181 Ca 0.02 -0.44 -0.01 0.00 -0.50 0.00 0.00 54.79 53.87 1qfm n ASP 181 Cb 0.13 -0.18 -0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1qfm n ASP 181 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qfm n GLY 182 N 1.13 0.33 0.21 6.12 0.00 -0.50 -4.91 105.19 107.56 1qfm n GLY 182 Ca 0.17 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1qfm n GLY 182 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qfm h LYS 183 N 0.52 0.71 0.00 1.61 3.64 -1.90 -3.47 116.57 117.68 1qfm h LYS 183 Ca -0.01 -0.63 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 1qfm h LYS 183 Cb 0.45 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1qfm h LYS 183 CO 0.02 1.23 0.00 0.41 -2.27 0.00 0.00 179.45 178.84 1qfm n GLY 184 N 0.79 1.65 2.95 5.01 0.00 -1.26 -1.45 105.19 112.88 1qfm n GLY 184 Ca -0.08 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1qfm n GLY 184 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qfm s MET 185 N -1.39 0.09 0.32 1.61 1.75 0.00 -1.85 119.30 119.83 1qfm s MET 185 Ca 0.00 0.14 -0.22 0.00 -1.25 0.00 0.00 55.69 54.36 1qfm s MET 185 Cb 0.00 0.02 -0.10 0.00 2.84 0.00 0.00 34.83 37.60 1qfm s MET 185 CO 0.00 -0.03 0.86 -0.06 -0.65 0.00 0.00 175.02 175.14 1qfm s PHE 186 N 0.16 3.55 0.24 4.11 0.40 0.56 -0.78 117.98 126.22 1qfm s PHE 186 Ca -0.01 1.56 -0.22 0.00 -0.60 0.00 0.00 56.93 57.66 1qfm s PHE 186 Cb -0.02 -2.77 0.03 0.00 0.51 0.00 0.00 43.02 40.77 1qfm s PHE 186 CO -0.00 0.15 0.79 1.52 0.70 0.00 0.00 175.22 178.38 1qfm s TYR 187 N -1.78 -0.16 0.07 0.36 -0.85 -0.47 -2.09 117.35 112.43 1qfm s TYR 187 Ca 0.52 -0.26 0.07 0.00 -0.52 0.00 0.00 57.07 56.88 1qfm s TYR 187 Cb -0.15 0.69 -0.04 0.00 0.38 0.00 0.00 41.96 42.85 1qfm s TYR 187 CO 0.20 -1.13 -0.14 -0.80 -1.52 0.00 0.00 175.55 172.16 1qfm s ASN 188 N -2.93 4.10 0.01 -0.18 -0.87 -1.26 -0.75 114.94 113.06 1qfm s ASN 188 Ca 0.12 -0.40 -0.14 0.00 -1.57 0.00 0.00 52.86 50.86 1qfm s ASN 188 Cb -0.05 -0.73 0.02 0.00 -0.02 0.00 0.00 41.25 40.48 1qfm s ASN 188 CO 0.06 0.22 0.31 0.00 -2.57 0.00 0.00 177.10 175.12 1qfm s ALA 189 N -1.06 -0.74 0.08 0.60 0.00 -0.84 -4.05 121.76 115.75 1qfm s ALA 189 Ca 0.17 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.33 1qfm s ALA 189 Cb -0.11 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1qfm s ALA 189 CO 0.09 -0.32 0.23 0.71 0.00 0.00 0.00 175.76 176.46 1qfm s TYR 190 N -1.85 3.50 0.88 0.00 1.51 -0.38 -1.20 117.35 119.82 1qfm s TYR 190 Ca -0.10 0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 56.06 1qfm s TYR 190 Cb -0.03 -1.73 0.12 0.00 -0.11 0.00 0.00 41.96 40.20 1qfm s TYR 190 CO 0.01 0.57 1.09 -1.25 -1.11 0.00 0.00 175.55 174.86 1qfm s PRO 191 N -2.71 1.38 0.46 -1.71 0.04 -1.26 -4.88 135.00 126.32 1qfm s PRO 191 Ca 0.35 0.96 -0.24 0.00 0.04 0.00 0.00 61.00 62.11 1qfm s PRO 191 Cb -0.12 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 1qfm s PRO 191 CO 0.28 -2.19 1.27 0.94 0.04 0.00 0.00 177.00 177.33 1qfm n GLN 192 N -3.87 1.81 -4.02 4.56 -0.06 -1.26 -5.02 117.38 109.52 1qfm n GLN 192 Ca 0.08 0.65 -0.09 0.00 -2.00 0.00 0.00 57.00 55.64 1qfm n GLN 192 Cb 0.54 -2.41 -0.11 0.00 -4.06 0.00 0.00 30.24 24.21 1qfm n GLN 192 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1qfm s GLN 193 N -2.38 0.43 0.60 3.69 -2.07 -1.26 -5.14 119.66 113.52 1qfm s GLN 193 Ca 0.64 -0.78 -0.17 0.00 -1.82 0.00 0.00 55.36 53.22 1qfm s GLN 193 Cb -0.48 0.05 -0.03 0.00 -1.09 0.00 0.00 33.01 31.46 1qfm s GLN 193 CO 0.56 -0.04 1.12 -0.51 -1.32 0.00 0.00 175.29 175.09 1qfm s ASP 194 N -1.83 5.44 0.00 12.60 1.01 -1.26 -4.83 116.67 127.80 1qfm s ASP 194 Ca -0.09 2.07 0.00 0.00 0.71 0.00 0.00 52.55 55.24 1qfm s ASP 194 Cb -0.06 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1qfm s ASP 194 CO -0.03 -1.41 0.00 0.61 0.21 0.00 0.00 175.17 174.56 1qfm n GLY 195 N -0.22 -1.77 3.89 0.21 0.00 -1.26 -4.95 105.19 101.09 1qfm n GLY 195 Ca 0.11 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 1qfm n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qfm s LYS 196 N 0.00 3.63 -0.36 1.61 1.02 -1.26 -5.02 119.74 119.35 1qfm s LYS 196 Ca 0.00 0.45 0.13 0.00 0.02 0.00 0.00 55.97 56.57 1qfm s LYS 196 Cb 0.00 -2.28 0.37 0.00 -0.52 0.00 0.00 37.83 35.40 1qfm s LYS 196 CO 0.00 -0.28 0.81 0.43 -0.92 0.00 0.00 175.35 175.38 1qfm n SER 197 N -2.18 0.75 0.00 2.83 7.64 -1.26 -4.70 113.62 116.71 1qfm n SER 197 Ca 0.03 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 56.93 1qfm n SER 197 Cb 0.55 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1qfm n SER 197 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1qfm n ASP 198 N 0.20 0.84 0.00 6.43 5.75 -1.26 -4.97 116.55 123.54 1qfm n ASP 198 Ca 0.20 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.96 1qfm n ASP 198 Cb 0.70 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 1qfm n ASP 198 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qfm n GLY 199 N -0.01 0.70 0.01 6.12 0.00 -1.26 -4.74 105.19 106.01 1qfm n GLY 199 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1qfm n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qfm n THR 200 N -1.24 0.07 -2.02 2.61 -2.24 -1.26 -3.77 114.28 106.42 1qfm n THR 200 Ca 0.00 -0.14 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 1qfm n THR 200 Cb 0.00 0.48 0.04 0.00 -2.10 0.00 0.00 70.33 68.75 1qfm n THR 200 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1qfm s GLU 201 N -3.13 2.95 0.00 -0.78 1.03 -1.26 -4.76 118.70 112.75 1qfm s GLU 201 Ca 0.05 0.37 0.07 0.00 0.03 0.00 0.00 54.97 55.50 1qfm s GLU 201 Cb 0.15 -2.09 0.05 0.00 -0.80 0.00 0.00 34.13 31.44 1qfm s GLU 201 CO 0.82 -0.89 0.70 0.25 -1.33 0.00 0.00 175.26 174.81 1qfm n THR 202 N -2.87 0.00 -1.60 1.83 -2.24 -1.26 -4.89 114.28 103.25 1qfm n THR 202 Ca 0.06 -0.49 -0.53 0.00 -2.27 0.00 0.00 64.05 60.82 1qfm n THR 202 Cb 0.57 1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 69.88 1qfm n THR 202 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1qfm n SER 203 N 0.31 1.62 -4.77 3.42 7.64 -1.26 -0.88 113.62 119.70 1qfm n SER 203 Ca 0.04 1.12 -0.40 0.00 1.01 0.00 0.00 58.87 60.63 1qfm n SER 203 Cb 0.18 -1.16 -0.01 0.00 -1.01 0.00 0.00 64.21 62.21 1qfm n SER 203 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1qfm s THR 204 N 0.88 2.50 -0.37 0.44 -1.32 -1.26 -2.89 115.64 113.63 1qfm s THR 204 Ca 0.87 0.49 -0.13 0.00 -1.21 0.00 0.00 61.69 61.71 1qfm s THR 204 Cb -1.00 -3.31 0.01 0.00 -1.51 0.00 0.00 72.50 66.69 1qfm s THR 204 CO 0.50 0.11 0.25 0.20 -2.21 0.00 0.00 174.62 173.47 1qfm s ASN 205 N -0.44 5.97 0.20 8.08 0.02 -0.15 -4.81 114.94 123.80 1qfm s ASN 205 Ca 0.52 -0.71 0.02 0.00 -1.02 0.00 0.00 52.86 51.67 1qfm s ASN 205 Cb -0.41 -2.11 -0.05 0.00 0.02 0.00 0.00 41.25 38.70 1qfm s ASN 205 CO 0.55 -0.34 0.03 -0.76 0.02 0.00 0.00 177.10 176.60 1qfm s LEU 206 N 1.67 2.00 -1.27 0.60 1.43 -1.26 -4.86 118.68 116.99 1qfm s LEU 206 Ca 0.05 -1.23 -0.08 0.00 -1.03 0.00 0.00 54.13 51.84 1qfm s LEU 206 Cb -0.18 -0.06 0.01 0.00 0.03 0.00 0.00 46.19 45.98 1qfm s LEU 206 CO 0.09 -0.60 1.11 1.41 0.23 0.00 0.00 176.35 178.59 1qfm n HIS 207 N -0.32 -2.68 -2.04 0.29 8.25 -0.02 -4.59 115.22 114.10 1qfm n HIS 207 Ca -0.05 0.95 -0.41 0.00 -0.26 0.00 0.00 57.72 57.96 1qfm n HIS 207 Cb 0.64 -4.81 -0.02 0.00 1.12 0.00 0.00 29.99 26.92 1qfm n HIS 207 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1qfm s GLN 208 N -6.18 4.29 0.30 -0.41 0.74 -1.26 -4.38 119.66 112.75 1qfm s GLN 208 Ca 0.52 2.29 0.07 0.00 0.05 0.00 0.00 55.36 58.29 1qfm s GLN 208 Cb -0.23 -3.08 -0.06 0.00 1.10 0.00 0.00 33.01 30.74 1qfm s GLN 208 CO 0.69 -0.33 -0.05 0.15 -0.55 0.00 0.00 175.29 175.20 1qfm s LYS 209 N -1.22 1.63 -0.22 1.67 1.02 -0.34 -4.67 119.74 117.61 1qfm s LYS 209 Ca 0.54 -1.84 -0.07 0.00 0.02 0.00 0.00 55.97 54.62 1qfm s LYS 209 Cb -0.41 -1.26 -0.03 0.00 -0.52 0.00 0.00 37.83 35.60 1qfm s LYS 209 CO 0.50 0.04 0.05 -1.17 -0.92 0.00 0.00 175.35 173.85 1qfm s LEU 210 N -3.49 3.50 0.30 3.17 2.96 -0.57 -1.99 118.68 122.56 1qfm s LEU 210 Ca 0.31 -0.13 0.11 0.00 -0.22 0.00 0.00 54.13 54.19 1qfm s LEU 210 Cb 0.04 -1.91 -0.06 0.00 0.50 0.00 0.00 46.19 44.76 1qfm s LEU 210 CO 0.13 0.04 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.73 1qfm s TYR 211 N 1.18 2.32 -0.17 5.38 1.51 0.08 -1.02 117.35 126.63 1qfm s TYR 211 Ca 0.04 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1qfm s TYR 211 Cb -0.14 -1.12 0.03 0.00 -0.11 0.00 0.00 41.96 40.62 1qfm s TYR 211 CO 0.03 0.67 -0.12 -0.47 -1.11 0.00 0.00 175.55 174.55 1qfm s TYR 212 N -2.55 2.20 -0.25 2.71 5.04 0.14 -1.37 117.35 123.27 1qfm s TYR 212 Ca 0.31 -1.34 -0.11 0.00 -2.44 0.00 0.00 57.07 53.49 1qfm s TYR 212 Cb -0.02 -1.57 -0.05 0.00 0.35 0.00 0.00 41.96 40.66 1qfm s TYR 212 CO 0.15 -0.69 0.17 -1.58 -1.34 0.00 0.00 175.55 172.26 1qfm s HIS 213 N 1.47 3.28 -0.23 4.97 5.65 0.04 -1.58 115.29 128.89 1qfm s HIS 213 Ca 0.02 0.18 -0.25 0.00 0.25 0.00 0.00 55.06 55.26 1qfm s HIS 213 Cb -0.14 -2.31 -0.01 0.00 -1.18 0.00 0.00 32.58 28.94 1qfm s HIS 213 CO -0.09 -0.02 0.83 0.08 -0.65 0.00 0.00 174.74 174.89 1qfm s VAL 214 N 1.30 4.85 0.26 0.89 1.01 -1.26 -0.82 120.40 126.62 1qfm s VAL 214 Ca 0.07 1.58 -0.31 0.00 0.00 0.00 0.00 61.98 63.33 1qfm s VAL 214 Cb -0.14 -4.12 -0.12 0.00 0.00 0.00 0.00 36.38 31.99 1qfm s VAL 214 CO 0.07 -0.05 1.56 -0.11 0.00 0.00 0.00 175.10 176.57 1qfm n LEU 215 N 5.84 3.89 0.00 3.92 7.94 -0.53 -2.47 117.00 135.60 1qfm n LEU 215 Ca 0.05 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 1qfm n LEU 215 Cb 0.48 -1.54 0.00 0.00 0.53 0.00 0.00 43.42 42.89 1qfm n LEU 215 CO 0.47 -0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.32 1qfm n GLY 216 N 2.47 0.84 3.52 -3.96 0.00 -1.26 -4.99 105.19 101.81 1qfm n GLY 216 Ca 0.11 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1qfm n GLY 216 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qfm s THR 217 N -2.00 1.37 0.34 2.61 -4.23 -1.03 -5.08 115.64 107.62 1qfm s THR 217 Ca 0.00 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 1qfm s THR 217 Cb 0.00 -2.79 -0.09 0.00 1.34 0.00 0.00 72.50 70.96 1qfm s THR 217 CO 0.00 0.00 0.79 -1.81 -0.54 0.00 0.00 174.62 173.06 1qfm s ASP 218 N -3.58 6.84 0.54 3.99 1.01 -1.26 -4.82 116.67 119.39 1qfm s ASP 218 Ca 0.34 1.39 0.24 0.00 0.71 0.00 0.00 52.55 55.23 1qfm s ASP 218 Cb 0.08 -2.42 1.43 0.00 1.01 0.00 0.00 42.92 43.03 1qfm s ASP 218 CO 0.15 -0.23 2.05 -0.61 0.21 0.00 0.00 175.17 176.75 1qfm h GLN 219 N 2.25 0.00 0.00 8.23 4.15 -1.96 -0.80 115.11 126.98 1qfm h GLN 219 Ca -0.48 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.94 1qfm h GLN 219 Cb 1.18 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 1qfm h GLN 219 CO 0.64 0.00 -0.00 0.66 -1.93 0.00 0.00 178.83 178.20 1qfm h SER 220 N 0.00 0.00 0.39 -0.69 4.64 -1.96 -1.41 113.55 114.52 1qfm h SER 220 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1qfm h SER 220 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1qfm h SER 220 CO -0.00 0.00 -0.35 -0.62 -0.87 0.00 0.00 176.83 174.99 1qfm n GLU 221 N -3.10 0.42 -1.61 4.77 1.02 -0.30 -4.97 120.64 116.86 1qfm n GLU 221 Ca -0.02 -0.23 -0.41 0.00 -0.02 0.00 0.00 57.16 56.48 1qfm n GLU 221 Cb 0.15 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.08 1qfm n GLU 221 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1qfm n ASP 222 N -1.09 1.25 -4.71 1.62 9.92 -0.53 -4.96 116.55 118.05 1qfm n ASP 222 Ca 0.09 1.02 -0.38 0.00 -0.53 0.00 0.00 54.79 54.98 1qfm n ASP 222 Cb 0.34 -1.36 -0.06 0.00 -0.64 0.00 0.00 41.12 39.40 1qfm n ASP 222 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1qfm s ILE 223 N -1.30 5.15 -0.35 0.53 1.09 -0.62 -4.87 121.20 120.84 1qfm s ILE 223 Ca 0.64 1.04 -0.28 0.00 -1.10 0.00 0.00 60.65 60.95 1qfm s ILE 223 Cb -0.54 -3.86 0.02 0.00 -1.06 0.00 0.00 42.46 37.01 1qfm s ILE 223 CO 0.56 0.29 1.04 -0.22 -0.10 0.00 0.00 174.94 176.51 1qfm s LEU 224 N 0.84 3.92 -0.07 2.97 2.96 -1.26 -0.69 118.68 127.35 1qfm s LEU 224 Ca 0.28 0.88 0.17 0.00 -0.22 0.00 0.00 54.13 55.24 1qfm s LEU 224 Cb -0.16 -3.47 -0.25 0.00 0.50 0.00 0.00 46.19 42.81 1qfm s LEU 224 CO 0.11 -0.91 0.29 0.00 -1.32 0.00 0.00 176.35 174.53 1qfm s ALA 226 N -2.99 -1.77 0.05 0.00 0.00 -1.17 -2.86 121.76 113.02 1qfm s ALA 226 Ca -0.07 2.06 -0.19 0.00 0.00 0.00 0.00 51.96 53.77 1qfm s ALA 226 Cb 0.09 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 22.05 1qfm s ALA 226 CO 0.72 -0.34 0.43 -1.83 0.00 0.00 0.00 175.76 174.74 1qfm s GLU 227 N 0.58 0.95 -0.49 0.00 -1.05 -1.26 -1.51 118.70 115.92 1qfm s GLU 227 Ca -0.02 -0.36 0.07 0.00 -0.15 0.00 0.00 54.97 54.51 1qfm s GLU 227 Cb -0.05 0.42 0.24 0.00 -0.44 0.00 0.00 34.13 34.31 1qfm s GLU 227 CO -0.02 -0.33 0.59 1.19 0.95 0.00 0.00 175.26 177.64 1qfm n PHE 228 N 0.45 1.17 -0.14 4.83 3.01 -1.26 -4.98 117.46 120.54 1qfm n PHE 228 Ca -0.18 -3.79 0.20 0.00 1.01 0.00 0.00 57.45 54.69 1qfm n PHE 228 Cb 0.60 -0.41 0.59 0.00 -0.01 0.00 0.00 39.48 40.26 1qfm n PHE 228 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1qfm h PRO 229 N 4.18 0.23 -0.02 -1.08 0.13 -1.98 -1.30 132.00 132.16 1qfm h PRO 229 Ca 0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1qfm h PRO 229 Cb 0.80 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1qfm h PRO 229 CO 0.60 0.15 -0.02 -0.25 -0.23 0.00 0.00 178.00 178.25 1qfm n ASP 230 N -4.42 1.63 -3.40 1.44 10.43 -1.26 -4.42 116.55 116.55 1qfm n ASP 230 Ca 0.15 -1.51 -0.26 0.00 2.57 0.00 0.00 54.79 55.74 1qfm n ASP 230 Cb 0.66 0.01 -0.09 0.00 1.84 0.00 0.00 41.12 43.54 1qfm n ASP 230 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1qfm n GLU 231 N 0.24 0.78 0.22 -1.24 -0.58 -0.49 -5.00 120.64 114.58 1qfm n GLU 231 Ca 0.18 -3.50 0.17 0.00 -0.42 0.00 0.00 57.16 53.59 1qfm n GLU 231 Cb 0.38 -1.66 0.77 0.00 -0.57 0.00 0.00 31.44 30.35 1qfm n GLU 231 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1qfm h PRO 232 N 4.96 0.00 0.00 3.49 0.11 -1.77 -1.95 132.00 136.83 1qfm h PRO 232 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1qfm h PRO 232 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1qfm h PRO 232 CO 0.49 0.00 -0.75 1.63 -0.21 0.00 0.00 178.00 179.16 1qfm n LYS 233 N -3.27 0.08 -2.09 1.05 5.02 -1.26 -0.84 118.16 116.84 1qfm n LYS 233 Ca 0.03 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.93 1qfm n LYS 233 Cb 0.51 -1.53 -0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1qfm n LYS 233 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1qfm s TRP 234 N -3.05 2.83 -0.11 2.13 0.52 -0.74 -4.63 118.94 115.89 1qfm s TRP 234 Ca 0.08 1.44 -0.01 0.00 0.02 0.00 0.00 56.10 57.63 1qfm s TRP 234 Cb 0.16 -3.61 0.03 0.00 -1.15 0.00 0.00 33.47 28.91 1qfm s TRP 234 CO 0.76 -1.96 -0.01 -1.64 0.02 0.00 0.00 176.95 174.12 1qfm s MET 235 N -2.34 0.87 -0.36 4.98 -1.94 0.01 -4.33 119.30 116.19 1qfm s MET 235 Ca 0.58 -0.11 -0.10 0.00 -1.71 0.00 0.00 55.69 54.36 1qfm s MET 235 Cb -0.36 -1.38 0.03 0.00 2.01 0.00 0.00 34.83 35.13 1qfm s MET 235 CO 0.46 -0.36 0.19 0.20 -0.01 0.00 0.00 175.02 175.49 1qfm s GLY 236 N 1.87 1.91 -0.16 -0.03 0.00 -1.26 -0.56 107.32 109.10 1qfm s GLY 236 Ca 0.04 -1.69 -0.13 0.00 0.00 0.00 0.00 44.72 42.94 1qfm s GLY 236 CO -0.07 0.82 0.26 -0.32 0.00 0.00 0.00 173.10 173.79 1qfm s GLY 237 N 1.54 2.18 0.04 0.20 0.00 -0.23 -4.73 107.32 106.33 1qfm s GLY 237 Ca 0.02 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 44.26 1qfm s GLY 237 CO 0.06 0.32 0.06 0.00 0.00 0.00 0.00 173.10 173.54 1qfm s ALA 238 N 0.31 3.50 0.05 3.20 0.00 -1.26 -0.71 121.76 126.85 1qfm s ALA 238 Ca 0.15 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 1qfm s ALA 238 Cb -0.13 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.57 1qfm s ALA 238 CO 0.03 0.71 0.27 -1.83 0.00 0.00 0.00 175.76 174.94 1qfm s GLU 239 N -2.07 0.80 -0.02 0.00 -1.05 -0.66 -4.55 118.70 111.15 1qfm s GLU 239 Ca 0.26 -0.60 -0.05 0.00 -0.15 0.00 0.00 54.97 54.42 1qfm s GLU 239 Cb -0.12 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.87 1qfm s GLU 239 CO 0.17 -0.26 0.21 -0.51 0.95 0.00 0.00 175.26 175.83 1qfm s LEU 240 N -2.21 4.37 0.88 1.83 2.01 -1.26 -0.22 118.68 124.08 1qfm s LEU 240 Ca -0.03 0.45 -0.11 0.00 0.01 0.00 0.00 54.13 54.45 1qfm s LEU 240 Cb -0.00 -2.54 0.12 0.00 0.01 0.00 0.00 46.19 43.79 1qfm s LEU 240 CO -0.05 0.29 1.11 -0.94 1.01 0.00 0.00 176.35 177.76 1qfm s SER 241 N -1.68 3.38 0.46 2.29 1.04 0.04 -4.87 113.70 114.37 1qfm s SER 241 Ca 0.25 1.88 0.15 0.00 0.48 0.00 0.00 55.95 58.72 1qfm s SER 241 Cb -0.13 -2.46 1.10 0.00 0.10 0.00 0.00 66.02 64.64 1qfm s SER 241 CO 0.15 -2.76 2.01 0.44 0.98 0.00 0.00 173.24 174.06 1qfm h ASP 242 N -1.63 0.28 -0.01 7.02 3.32 -1.92 -0.10 116.42 123.37 1qfm h ASP 242 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1qfm h ASP 242 Cb 1.26 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1qfm h ASP 242 CO 0.48 0.17 0.00 -0.90 -1.72 0.00 0.00 179.24 177.27 1qfm n ASP 243 N -4.46 1.07 0.00 6.45 3.85 -1.26 -4.93 116.55 117.27 1qfm n ASP 243 Ca 0.08 -1.37 0.00 0.00 -0.71 0.00 0.00 54.79 52.79 1qfm n ASP 243 Cb 0.36 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.13 1qfm n ASP 243 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1qfm n GLY 244 N 1.12 0.57 0.07 6.12 0.00 -0.05 -4.90 105.19 108.11 1qfm n GLY 244 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 1qfm n GLY 244 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1qfm h ARG 245 N 1.58 0.04 -6.47 1.61 2.43 -1.92 -3.43 114.38 108.22 1qfm h ARG 245 Ca 0.00 -0.07 -0.70 0.00 -0.81 0.00 0.00 59.98 58.41 1qfm h ARG 245 Cb 0.11 0.02 -0.30 0.00 -0.42 0.00 0.00 29.97 29.38 1qfm h ARG 245 CO 0.00 0.99 -0.89 0.71 -1.51 0.00 0.00 179.97 179.28 1qfm s TYR 246 N -2.69 2.36 -0.22 2.20 1.51 -1.26 -0.89 117.35 118.35 1qfm s TYR 246 Ca -0.00 -0.51 -0.15 0.00 -1.01 0.00 0.00 57.07 55.40 1qfm s TYR 246 Cb 0.09 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 1qfm s TYR 246 CO 0.83 -0.08 0.36 0.08 -1.11 0.00 0.00 175.55 175.62 1qfm s VAL 247 N -0.50 5.22 -0.23 0.71 1.01 -0.18 -0.78 120.40 125.64 1qfm s VAL 247 Ca 0.07 0.60 -0.08 0.00 0.00 0.00 0.00 61.98 62.57 1qfm s VAL 247 Cb -0.11 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1qfm s VAL 247 CO 0.00 0.25 0.08 -0.76 0.00 0.00 0.00 175.10 174.66 1qfm s LEU 248 N 1.42 3.58 -0.29 3.92 1.43 0.69 -0.86 118.68 128.57 1qfm s LEU 248 Ca 0.16 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 53.08 1qfm s LEU 248 Cb -0.15 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1qfm s LEU 248 CO 0.08 0.02 0.09 -0.22 0.23 0.00 0.00 176.35 176.55 1qfm s LEU 249 N 1.28 3.80 -0.39 1.79 2.96 0.32 -1.66 118.68 126.78 1qfm s LEU 249 Ca 0.05 -0.59 -0.14 0.00 -0.22 0.00 0.00 54.13 53.23 1qfm s LEU 249 Cb -0.15 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.66 1qfm s LEU 249 CO 0.04 -0.16 0.27 -0.44 -1.32 0.00 0.00 176.35 174.73 1qfm s SER 250 N 1.54 6.01 -0.19 3.68 0.01 0.12 -1.14 113.70 123.72 1qfm s SER 250 Ca 0.04 -0.84 -0.12 0.00 1.31 0.00 0.00 55.95 56.34 1qfm s SER 250 Cb -0.17 -2.13 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 1qfm s SER 250 CO 0.03 -0.40 0.24 -0.63 0.41 0.00 0.00 173.24 172.89 1qfm s ILE 251 N 1.66 5.33 0.15 1.44 1.01 -0.59 -1.07 121.20 129.13 1qfm s ILE 251 Ca 0.05 0.40 0.11 0.00 0.00 0.00 0.00 60.65 61.20 1qfm s ILE 251 Cb -0.19 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1qfm s ILE 251 CO 0.09 0.37 -0.25 -0.13 0.00 0.00 0.00 174.94 175.03 1qfm s ARG 252 N 0.69 1.50 -0.30 2.79 1.81 0.28 -1.20 118.95 124.52 1qfm s ARG 252 Ca 0.13 -1.37 -0.01 0.00 -1.72 0.00 0.00 55.73 52.75 1qfm s ARG 252 Cb -0.13 -1.92 0.13 0.00 -0.45 0.00 0.00 34.95 32.58 1qfm s ARG 252 CO 0.03 0.44 0.25 -2.00 -0.68 0.00 0.00 175.30 173.34 1qfm s GLU 253 N -2.25 0.32 0.00 3.54 2.12 -1.26 -0.81 118.70 120.35 1qfm s GLU 253 Ca 0.17 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.15 1qfm s GLU 253 Cb -0.09 -0.83 0.00 0.00 0.26 0.00 0.00 34.13 33.47 1qfm s GLU 253 CO 0.08 -1.05 0.00 0.41 -0.54 0.00 0.00 175.26 174.16 1qfm n GLY 254 N 5.17 0.89 1.29 -1.50 0.00 -1.26 -5.02 105.19 104.76 1qfm n GLY 254 Ca -0.02 -1.11 0.06 0.00 0.00 0.00 0.00 46.02 44.95 1qfm n GLY 254 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qfm n ASP 256 N 0.00 -5.63 -4.02 1.61 8.00 -1.26 -4.98 116.55 110.26 1qfm n ASP 256 Ca 0.00 1.16 -0.42 0.00 0.71 0.00 0.00 54.79 56.24 1qfm n ASP 256 Cb 0.00 -3.98 0.00 0.00 -0.02 0.00 0.00 41.12 37.12 1qfm n ASP 256 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1qfm n PRO 257 N -3.17 3.08 -3.85 -0.24 -0.04 -1.26 -4.82 135.00 124.69 1qfm n PRO 257 Ca -0.03 -2.99 -0.11 0.00 -0.04 0.00 0.00 63.50 60.33 1qfm n PRO 257 Cb 0.40 -3.28 -0.09 0.00 -0.04 0.00 0.00 33.50 30.49 1qfm n PRO 257 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qfm s VAL 258 N 3.00 0.10 -0.11 0.52 -7.23 -1.26 -3.24 120.40 112.17 1qfm s VAL 258 Ca 0.48 -0.81 -0.30 0.00 -1.81 0.00 0.00 61.98 59.53 1qfm s VAL 258 Cb 0.10 -0.73 0.09 0.00 0.56 0.00 0.00 36.38 36.40 1qfm s VAL 258 CO -0.03 -0.45 0.82 0.54 -0.31 0.00 0.00 175.10 175.68 1qfm s ASN 259 N -1.80 -0.54 0.52 4.85 4.22 -0.01 -4.76 114.94 117.41 1qfm s ASN 259 Ca -0.09 0.64 -0.15 0.00 -2.14 0.00 0.00 52.86 51.12 1qfm s ASN 259 Cb -0.03 0.51 -0.07 0.00 1.28 0.00 0.00 41.25 42.94 1qfm s ASN 259 CO -0.01 -0.47 0.97 -0.13 -2.04 0.00 0.00 177.10 175.42 1qfm s ARG 260 N -1.01 3.89 -0.21 3.55 0.52 -0.34 -4.61 118.95 120.74 1qfm s ARG 260 Ca -0.06 0.88 -0.03 0.00 -0.52 0.00 0.00 55.73 56.00 1qfm s ARG 260 Cb -0.01 -2.15 0.06 0.00 0.52 0.00 0.00 34.95 33.38 1qfm s ARG 260 CO 0.06 -0.29 0.05 -1.17 0.02 0.00 0.00 175.30 173.97 1qfm s LEU 261 N -4.19 1.19 0.22 2.53 1.98 -0.08 -1.55 118.68 118.78 1qfm s LEU 261 Ca 0.58 -0.89 0.09 0.00 -2.89 0.00 0.00 54.13 51.01 1qfm s LEU 261 Cb -0.10 -0.59 -0.04 0.00 0.66 0.00 0.00 46.19 46.12 1qfm s LEU 261 CO 0.34 -0.32 -0.02 0.26 -1.89 0.00 0.00 176.35 174.72 1qfm s TRP 262 N 1.87 2.74 0.04 5.38 0.51 -0.30 -1.12 118.94 128.05 1qfm s TRP 262 Ca 0.00 -0.19 0.00 0.00 -2.12 0.00 0.00 56.10 53.80 1qfm s TRP 262 Cb -0.17 -1.28 -0.03 0.00 -0.81 0.00 0.00 33.47 31.19 1qfm s TRP 262 CO -0.11 0.56 -0.04 1.52 -0.51 0.00 0.00 176.95 178.37 1qfm s TYR 263 N -1.99 0.46 -0.15 -1.98 -0.85 -0.24 -0.52 117.35 112.09 1qfm s TYR 263 Ca 0.29 -0.66 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 1qfm s TYR 263 Cb -0.08 -0.31 0.03 0.00 0.38 0.00 0.00 41.96 41.98 1qfm s TYR 263 CO 0.18 -0.20 -0.11 0.00 -1.52 0.00 0.00 175.55 173.90 1qfm s ASP 265 N 1.53 6.38 0.52 0.00 -1.08 -1.26 -1.01 116.67 121.74 1qfm s ASP 265 Ca 0.03 -0.04 0.19 0.00 -0.52 0.00 0.00 52.55 52.22 1qfm s ASP 265 Cb -0.14 -2.55 1.29 0.00 -1.46 0.00 0.00 42.92 40.07 1qfm s ASP 265 CO -0.10 -1.54 2.07 -0.07 0.52 0.00 0.00 175.17 176.06 1qfm h LEU 266 N 12.08 0.04 -1.52 -1.34 3.38 -1.37 -0.71 115.31 125.88 1qfm h LEU 266 Ca -0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1qfm h LEU 266 Cb 1.06 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1qfm h LEU 266 CO 1.20 0.03 -0.19 -0.61 0.09 0.00 0.00 178.44 178.95 1qfm h GLN 267 N 0.05 0.00 -0.00 1.13 4.15 -1.91 -2.45 115.11 116.08 1qfm h GLN 267 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1qfm h GLN 267 Cb 0.44 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1qfm h GLN 267 CO -0.01 0.19 -0.09 1.04 -1.93 0.00 0.00 178.83 178.04 1qfm n GLN 268 N -3.57 0.66 -2.21 1.69 1.13 -0.27 -4.85 117.38 109.95 1qfm n GLN 268 Ca -0.01 -0.19 -0.41 0.00 -1.94 0.00 0.00 57.00 54.45 1qfm n GLN 268 Cb 0.34 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.16 1qfm n GLN 268 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1qfm s GLU 269 N -2.47 4.41 0.34 -1.09 0.41 -0.92 -4.93 118.70 114.45 1qfm s GLU 269 Ca 0.30 2.08 0.03 0.00 -0.41 0.00 0.00 54.97 56.97 1qfm s GLU 269 Cb 0.20 -3.14 0.64 0.00 -1.78 0.00 0.00 34.13 30.05 1qfm s GLU 269 CO 0.47 -0.15 1.94 0.77 -0.49 0.00 0.00 175.26 177.80 1qfm h SER 270 N 4.31 0.77 -0.18 -0.19 0.02 -1.90 -3.36 113.55 113.02 1qfm h SER 270 Ca -0.47 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.23 1qfm h SER 270 Cb 1.22 -0.17 -0.18 0.00 0.14 0.00 0.00 62.40 63.42 1qfm h SER 270 CO 0.71 0.51 -0.50 -3.20 -1.14 0.00 0.00 176.83 173.21 1qfm n ASN 271 N -4.48 -1.82 -0.22 3.07 5.15 -1.26 -5.14 115.26 110.56 1qfm n ASN 271 Ca 0.11 -3.21 0.00 0.00 -0.60 0.00 0.00 54.58 50.89 1qfm n ASN 271 Cb 0.19 1.35 0.00 0.00 -0.53 0.00 0.00 39.78 40.80 1qfm n ASN 271 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qfm n GLY 272 N 0.02 -1.31 3.53 8.20 0.00 -1.26 -4.57 105.19 109.80 1qfm n GLY 272 Ca 0.05 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1qfm n GLY 272 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qfm s ILE 273 N 0.00 4.13 0.00 -0.61 1.01 -1.26 -4.78 121.20 119.69 1qfm s ILE 273 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1qfm s ILE 273 Cb 0.00 -4.70 0.00 0.00 0.01 0.00 0.00 42.46 37.77 1qfm s ILE 273 CO 0.00 -1.41 0.09 0.35 0.00 0.00 0.00 174.94 173.97 1qfm n THR 274 N 6.31 0.00 -1.57 2.92 -2.24 -1.26 -5.01 114.28 113.43 1qfm n THR 274 Ca 0.03 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1qfm n THR 274 Cb 0.48 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1qfm n THR 274 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qfm n GLY 275 N 0.56 1.37 3.68 3.38 0.00 -1.26 -4.93 105.19 107.99 1qfm n GLY 275 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1qfm n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qfm s ILE 276 N -0.74 2.90 0.75 -0.61 -1.09 -1.16 -4.34 121.20 116.91 1qfm s ILE 276 Ca 0.00 0.23 -0.11 0.00 -2.23 0.00 0.00 60.65 58.54 1qfm s ILE 276 Cb 0.00 -3.15 0.04 0.00 -1.58 0.00 0.00 42.46 37.77 1qfm s ILE 276 CO 0.00 -0.01 1.08 -0.76 -1.23 0.00 0.00 174.94 174.02 1qfm s LEU 277 N 3.29 3.08 -1.43 2.97 1.43 -1.14 -4.91 118.68 121.97 1qfm s LEU 277 Ca 0.80 1.77 -0.15 0.00 -1.03 0.00 0.00 54.13 55.53 1qfm s LEU 277 Cb -0.42 -4.51 0.05 0.00 0.03 0.00 0.00 46.19 41.33 1qfm s LEU 277 CO 0.36 -1.85 2.13 0.29 0.23 0.00 0.00 176.35 177.51 1qfm n LYS 278 N -3.36 2.93 -2.04 1.70 5.02 -1.26 -4.96 118.16 116.18 1qfm n LYS 278 Ca 0.09 -2.74 -0.41 0.00 -2.02 0.00 0.00 58.31 53.22 1qfm n LYS 278 Cb 0.53 -3.32 -0.02 0.00 -0.02 0.00 0.00 35.03 32.20 1qfm n LYS 278 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1qfm s TRP 279 N 3.35 3.03 -0.27 2.13 0.52 -1.26 -4.65 118.94 121.79 1qfm s TRP 279 Ca 0.48 1.12 -0.06 0.00 0.02 0.00 0.00 56.10 57.65 1qfm s TRP 279 Cb 0.12 -3.78 -0.00 0.00 -1.15 0.00 0.00 33.47 28.65 1qfm s TRP 279 CO -0.06 -2.46 0.06 0.08 0.02 0.00 0.00 176.95 174.59 1qfm s VAL 280 N -0.22 3.97 -1.37 4.03 1.01 0.57 -4.93 120.40 123.45 1qfm s VAL 280 Ca 0.57 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 1qfm s VAL 280 Cb -0.41 -2.95 0.09 0.00 0.00 0.00 0.00 36.38 33.10 1qfm s VAL 280 CO 0.45 0.21 2.01 0.29 0.00 0.00 0.00 175.10 178.06 1qfm n LYS 281 N 4.87 3.15 0.10 2.72 5.02 -1.26 -1.07 118.16 131.68 1qfm n LYS 281 Ca -0.16 -3.04 -0.15 0.00 -2.02 0.00 0.00 58.31 52.95 1qfm n LYS 281 Cb 0.49 -3.21 -0.08 0.00 -0.02 0.00 0.00 35.03 32.22 1qfm n LYS 281 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1qfm h LEU 282 N 9.80 -1.35 -7.81 -0.35 5.85 -1.88 -3.34 115.31 116.23 1qfm h LEU 282 Ca 0.49 0.15 -0.67 0.00 0.84 0.00 0.00 57.88 58.69 1qfm h LEU 282 Cb 0.69 0.51 -0.37 0.00 0.37 0.00 0.00 40.66 41.85 1qfm h LEU 282 CO 1.71 -0.50 -0.73 -0.63 -0.34 0.00 0.00 178.44 177.95 1qfm s ILE 283 N -5.87 2.44 -0.70 4.05 -1.09 -0.28 -5.00 121.20 114.75 1qfm s ILE 283 Ca -0.16 -1.94 0.01 0.00 -2.23 0.00 0.00 60.65 56.33 1qfm s ILE 283 Cb 0.07 -2.61 0.37 0.00 -1.58 0.00 0.00 42.46 38.71 1qfm s ILE 283 CO 0.63 -0.34 1.54 -0.67 -1.23 0.00 0.00 174.94 174.86 1qfm n ASP 284 N 4.40 6.14 -3.52 3.58 4.64 -1.25 -0.90 116.55 129.64 1qfm n ASP 284 Ca -0.05 -3.76 -0.07 0.00 -1.38 0.00 0.00 54.79 49.53 1qfm n ASP 284 Cb 0.42 -0.81 -0.00 0.00 -1.04 0.00 0.00 41.12 39.69 1qfm n ASP 284 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1qfm s ASN 285 N -2.28 -0.15 -0.45 1.67 2.20 -1.26 -5.06 114.94 109.61 1qfm s ASN 285 Ca 0.48 -0.77 0.04 0.00 -0.94 0.00 0.00 52.86 51.66 1qfm s ASN 285 Cb 0.37 0.74 0.48 0.00 -2.00 0.00 0.00 41.25 40.83 1qfm s ASN 285 CO -0.26 -1.41 1.61 0.49 -2.94 0.00 0.00 177.10 174.58 1qfm n PHE 286 N -0.49 2.66 0.36 1.54 0.99 -1.26 -3.51 117.46 117.75 1qfm n PHE 286 Ca -0.06 -2.41 0.12 0.00 -0.00 0.00 0.00 57.45 55.10 1qfm n PHE 286 Cb 0.59 -0.83 0.18 0.00 -1.00 0.00 0.00 39.48 38.42 1qfm n PHE 286 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1qfm h GLU 287 N 1.84 0.00 -3.09 -1.08 5.08 -1.96 -3.44 114.58 111.93 1qfm h GLU 287 Ca 0.45 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.84 1qfm h GLU 287 Cb 1.35 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.53 1qfm h GLU 287 CO 1.04 0.00 0.18 0.20 -1.00 0.00 0.00 179.01 179.42 1qfm s GLY 288 N -3.99 -0.16 -0.03 -3.84 0.00 -1.26 -4.85 107.32 93.19 1qfm s GLY 288 Ca 0.06 -0.17 -0.15 0.00 0.00 0.00 0.00 44.72 44.46 1qfm s GLY 288 CO 0.69 -0.10 0.40 1.85 0.00 0.00 0.00 173.10 175.94 1qfm s GLU 289 N -3.89 3.99 -0.27 2.90 2.56 -1.20 -0.83 118.70 121.97 1qfm s GLU 289 Ca 0.09 0.37 -0.03 0.00 0.00 0.00 0.00 54.97 55.41 1qfm s GLU 289 Cb -0.04 -3.27 0.09 0.00 2.00 0.00 0.00 34.13 32.91 1qfm s GLU 289 CO 0.02 0.58 0.10 0.71 -0.56 0.00 0.00 175.26 176.11 1qfm s TYR 290 N -0.70 0.84 -0.25 5.30 1.51 -1.26 -3.31 117.35 119.47 1qfm s TYR 290 Ca 0.23 -1.09 -0.08 0.00 -1.01 0.00 0.00 57.07 55.13 1qfm s TYR 290 Cb -0.16 -1.15 -0.03 0.00 -0.11 0.00 0.00 41.96 40.51 1qfm s TYR 290 CO 0.12 -0.78 0.08 -0.51 -1.11 0.00 0.00 175.55 173.34 1qfm s ASP 291 N 1.92 5.20 0.12 2.29 1.01 -0.04 -4.93 116.67 122.25 1qfm s ASP 291 Ca 0.07 -0.21 -0.31 0.00 0.71 0.00 0.00 52.55 52.81 1qfm s ASP 291 Cb -0.17 -1.94 -0.09 0.00 1.01 0.00 0.00 42.92 41.74 1qfm s ASP 291 CO -0.27 -0.04 1.58 -0.47 0.21 0.00 0.00 175.17 176.18 1qfm s TYR 292 N 1.62 2.85 -0.14 4.23 5.04 -1.26 -0.53 117.35 129.17 1qfm s TYR 292 Ca 0.06 0.55 -0.12 0.00 -2.44 0.00 0.00 57.07 55.13 1qfm s TYR 292 Cb -0.15 -3.91 -0.06 0.00 0.35 0.00 0.00 41.96 38.19 1qfm s TYR 292 CO 0.04 -3.46 -0.25 0.28 -1.34 0.00 0.00 175.55 170.82 1qfm n VAL 293 N 4.24 1.29 -3.83 3.14 0.31 -0.03 -4.90 118.33 118.56 1qfm n VAL 293 Ca 0.14 0.02 -0.02 0.00 -0.01 0.00 0.00 64.34 64.48 1qfm n VAL 293 Cb 0.40 -1.99 0.01 0.00 -0.91 0.00 0.00 33.84 31.35 1qfm n VAL 293 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1qfm s THR 294 N -2.54 0.00 0.06 2.52 -1.32 -1.16 -4.36 115.64 108.84 1qfm s THR 294 Ca -0.23 -0.49 -0.07 0.00 -1.21 0.00 0.00 61.69 59.68 1qfm s THR 294 Cb 0.06 -2.58 -0.01 0.00 -1.51 0.00 0.00 72.50 68.47 1qfm s THR 294 CO 0.32 0.00 0.15 0.54 -2.21 0.00 0.00 174.62 173.42 1qfm s ASN 295 N -3.30 0.15 -0.33 8.08 4.22 -1.26 -0.47 114.94 122.02 1qfm s ASN 295 Ca 0.20 -0.59 -0.01 0.00 -2.14 0.00 0.00 52.86 50.32 1qfm s ASN 295 Cb -0.01 0.29 0.11 0.00 1.28 0.00 0.00 41.25 42.92 1qfm s ASN 295 CO 0.02 -0.63 0.14 -1.61 -2.04 0.00 0.00 177.10 172.99 1qfm s GLU 296 N -3.28 0.74 6.75 3.55 0.41 -0.27 -4.91 118.70 121.69 1qfm s GLU 296 Ca 0.01 -1.20 0.00 0.00 -0.41 0.00 0.00 54.97 53.36 1qfm s GLU 296 Cb 0.02 -1.89 0.00 0.00 -1.78 0.00 0.00 34.13 30.49 1qfm s GLU 296 CO -0.08 -1.04 0.00 0.41 -0.49 0.00 0.00 175.26 174.06 1qfm n GLY 297 N 4.58 2.45 0.08 -1.39 0.00 -1.26 -1.86 105.19 107.79 1qfm n GLY 297 Ca 0.01 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.81 1qfm n GLY 297 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qfm n THR 298 N 0.00 0.00 -3.07 2.61 -2.24 -1.26 -4.72 114.28 105.60 1qfm n THR 298 Ca 0.00 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 1qfm n THR 298 Cb 0.00 -0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 67.85 1qfm n THR 298 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1qfm s VAL 299 N -2.18 4.76 -0.21 2.28 1.01 -0.78 -0.75 120.40 124.53 1qfm s VAL 299 Ca 0.40 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.25 1qfm s VAL 299 Cb 0.21 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1qfm s VAL 299 CO 0.40 -0.76 0.11 -0.36 0.00 0.00 0.00 175.10 174.49 1qfm s PHE 300 N 2.98 3.31 -0.23 5.22 0.40 0.15 -1.12 117.98 128.70 1qfm s PHE 300 Ca 0.22 0.17 -0.13 0.00 -0.60 0.00 0.00 56.93 56.59 1qfm s PHE 300 Cb -0.15 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 1qfm s PHE 300 CO 0.17 0.14 0.28 0.99 0.70 0.00 0.00 175.22 177.50 1qfm s THR 301 N 0.65 5.27 0.05 0.64 2.01 0.38 -0.28 115.64 124.37 1qfm s THR 301 Ca 0.06 0.43 0.06 0.00 0.31 0.00 0.00 61.69 62.55 1qfm s THR 301 Cb -0.12 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1qfm s THR 301 CO 0.01 0.28 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.69 1qfm s PHE 302 N 1.31 1.54 -0.06 4.92 0.40 0.01 -0.85 117.98 125.26 1qfm s PHE 302 Ca 0.13 -0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 55.88 1qfm s PHE 302 Cb -0.14 -0.90 -0.05 0.00 0.51 0.00 0.00 43.02 42.44 1qfm s PHE 302 CO 0.07 0.08 0.56 0.21 0.70 0.00 0.00 175.22 176.84 1qfm s LYS 303 N -1.29 4.33 0.07 0.44 2.20 0.31 -1.28 119.74 124.52 1qfm s LYS 303 Ca 0.04 0.64 -0.04 0.00 -0.36 0.00 0.00 55.97 56.26 1qfm s LYS 303 Cb -0.09 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 1qfm s LYS 303 CO 0.02 0.25 0.05 -0.08 -0.36 0.00 0.00 175.35 175.24 1qfm s THR 304 N 0.24 0.18 -0.12 3.43 -1.32 -0.21 -0.86 115.64 116.99 1qfm s THR 304 Ca 0.30 -1.62 0.06 0.00 -1.21 0.00 0.00 61.69 59.22 1qfm s THR 304 Cb -0.17 -1.53 0.11 0.00 -1.51 0.00 0.00 72.50 69.40 1qfm s THR 304 CO 0.15 -0.82 1.07 -0.46 -2.21 0.00 0.00 174.62 172.35 1qfm n ASN 305 N 0.03 2.23 -4.61 8.08 0.23 -1.21 -1.49 115.26 118.52 1qfm n ASN 305 Ca -0.13 -2.28 -0.43 0.00 -0.53 0.00 0.00 54.58 51.21 1qfm n ASN 305 Cb 0.62 -0.14 -0.03 0.00 -2.08 0.00 0.00 39.78 38.15 1qfm n ASN 305 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1qfm s ARG 306 N -1.48 3.27 -1.22 -3.83 6.06 -1.26 -1.10 118.95 119.39 1qfm s ARG 306 Ca 0.11 2.09 -0.02 0.00 -2.50 0.00 0.00 55.73 55.41 1qfm s ARG 306 Cb 0.09 -4.34 0.01 0.00 0.06 0.00 0.00 34.95 30.77 1qfm s ARG 306 CO 0.02 -1.95 0.12 0.72 -2.50 0.00 0.00 175.30 171.71 1qfm n HIS 307 N 11.10 -1.46 -3.12 5.12 8.25 -1.26 -4.90 115.22 128.95 1qfm n HIS 307 Ca 0.28 0.11 -0.13 0.00 -0.26 0.00 0.00 57.72 57.72 1qfm n HIS 307 Cb 0.45 -3.07 -0.04 0.00 1.12 0.00 0.00 29.99 28.44 1qfm n HIS 307 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1qfm s SER 308 N -2.19 -0.08 0.58 0.41 1.04 -0.26 -5.02 113.70 108.18 1qfm s SER 308 Ca 0.08 -1.98 0.27 0.00 0.48 0.00 0.00 55.95 54.81 1qfm s SER 308 Cb -0.04 0.96 1.57 0.00 0.10 0.00 0.00 66.02 68.61 1qfm s SER 308 CO 0.10 -0.14 2.06 -0.65 0.98 0.00 0.00 173.24 175.59 1qfm h PRO 309 N 5.84 0.00 -0.23 4.02 0.11 -1.91 0.49 132.00 140.33 1qfm h PRO 309 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1qfm h PRO 309 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1qfm h PRO 309 CO 0.16 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.04 1qfm n ASN 310 N -3.92 2.57 -0.53 -2.05 5.03 -1.26 -1.07 115.26 114.04 1qfm n ASN 310 Ca 0.03 -1.85 0.02 0.00 0.87 0.00 0.00 54.58 53.65 1qfm n ASN 310 Cb 0.39 -0.14 -0.01 0.00 -1.02 0.00 0.00 39.78 39.00 1qfm n ASN 310 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1qfm n TYR 311 N 0.93 -1.44 -3.85 3.10 4.02 0.16 -1.31 117.16 118.78 1qfm n TYR 311 Ca 0.17 0.78 -0.07 0.00 -0.01 0.00 0.00 57.90 58.77 1qfm n TYR 311 Cb 0.48 -1.45 -0.01 0.00 -0.02 0.00 0.00 39.34 38.34 1qfm n TYR 311 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1qfm s ARG 312 N -4.13 1.87 -0.16 -0.72 1.70 -0.56 -4.28 118.95 112.67 1qfm s ARG 312 Ca 0.00 -1.08 -0.05 0.00 -0.47 0.00 0.00 55.73 54.14 1qfm s ARG 312 Cb 0.00 0.61 -0.03 0.00 -0.57 0.00 0.00 34.95 34.96 1qfm s ARG 312 CO 0.00 -0.86 -0.01 -0.51 -1.08 0.00 0.00 175.30 172.84 1qfm s LEU 313 N -2.95 3.40 0.16 -1.89 1.43 -0.36 -1.04 118.68 117.43 1qfm s LEU 313 Ca 0.12 -0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1qfm s LEU 313 Cb -0.06 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1qfm s LEU 313 CO 0.08 0.17 -0.17 0.27 0.23 0.00 0.00 176.35 176.92 1qfm s ILE 314 N 0.38 1.74 -0.19 -0.59 -4.36 -0.41 -0.84 121.20 116.93 1qfm s ILE 314 Ca -0.02 -1.91 -0.02 0.00 -0.26 0.00 0.00 60.65 58.44 1qfm s ILE 314 Cb -0.14 -1.81 -0.00 0.00 1.25 0.00 0.00 42.46 41.76 1qfm s ILE 314 CO 0.02 -0.35 -0.11 0.20 0.24 0.00 0.00 174.94 174.94 1qfm s ASN 315 N -2.69 3.87 -0.19 4.36 0.02 0.70 -0.81 114.94 120.21 1qfm s ASN 315 Ca 0.15 -0.46 -0.02 0.00 -1.02 0.00 0.00 52.86 51.51 1qfm s ASN 315 Cb -0.05 -1.63 -0.01 0.00 0.02 0.00 0.00 41.25 39.58 1qfm s ASN 315 CO 0.06 0.02 -0.08 -0.63 0.02 0.00 0.00 177.10 176.49 1qfm s ILE 316 N 1.21 3.15 -0.30 0.60 1.01 0.62 -1.49 121.20 125.99 1qfm s ILE 316 Ca 0.02 -0.58 -0.18 0.00 0.00 0.00 0.00 60.65 59.91 1qfm s ILE 316 Cb -0.14 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1qfm s ILE 316 CO -0.04 0.46 0.53 -0.62 0.00 0.00 0.00 174.94 175.27 1qfm s ASP 317 N 1.17 6.40 0.64 3.58 -1.08 -1.26 -0.67 116.67 125.44 1qfm s ASP 317 Ca 0.02 0.32 0.35 0.00 -0.52 0.00 0.00 52.55 52.71 1qfm s ASP 317 Cb -0.14 -2.28 1.93 0.00 -1.46 0.00 0.00 42.92 40.96 1qfm s ASP 317 CO -0.02 -0.38 2.16 -0.26 0.52 0.00 0.00 175.17 177.18 1qfm h PHE 318 N 8.20 0.00 -0.00 -5.34 0.05 -1.34 -0.08 116.94 118.43 1qfm h PHE 318 Ca -0.28 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.51 1qfm h PHE 318 Cb 1.13 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.08 1qfm h PHE 318 CO 0.75 0.00 -0.26 0.25 -0.18 0.00 0.00 178.31 178.86 1qfm n THR 319 N -3.34 0.00 -2.91 -1.55 -2.24 -1.26 -4.20 114.28 98.78 1qfm n THR 319 Ca -0.01 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 1qfm n THR 319 Cb 0.24 -0.01 0.02 0.00 -2.10 0.00 0.00 70.33 68.48 1qfm n THR 319 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qfm n ASP 320 N -1.31 -1.43 0.15 3.42 4.64 -0.13 -5.04 116.55 116.86 1qfm n ASP 320 Ca 0.08 -3.26 0.12 0.00 -1.38 0.00 0.00 54.79 50.36 1qfm n ASP 320 Cb 0.33 0.92 0.53 0.00 -1.04 0.00 0.00 41.12 41.86 1qfm n ASP 320 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1qfm h PRO 321 N 3.50 0.00 -6.74 -0.67 0.13 -1.49 -3.40 132.00 123.33 1qfm h PRO 321 Ca -0.04 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.52 1qfm h PRO 321 Cb 1.01 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.26 1qfm h PRO 321 CO 0.33 0.00 0.46 0.39 -0.23 0.00 0.00 178.00 178.94 1qfm n GLU 322 N -2.30 1.99 -0.20 0.86 1.02 -1.26 -4.88 120.64 115.87 1qfm n GLU 322 Ca 0.01 0.70 0.12 0.00 -0.02 0.00 0.00 57.16 57.97 1qfm n GLU 322 Cb 0.19 -2.29 0.44 0.00 -0.02 0.00 0.00 31.44 29.76 1qfm n GLU 322 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1qfm h GLU 323 N 2.34 0.55 0.00 3.49 4.81 -1.99 0.78 114.58 124.57 1qfm h GLU 323 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1qfm h GLU 323 Cb 1.29 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1qfm h GLU 323 CO 0.61 0.36 0.00 0.66 -0.73 0.00 0.00 179.01 179.92 1qfm h SER 324 N 0.57 0.00 0.31 1.04 4.64 -1.96 -2.23 113.55 115.91 1qfm h SER 324 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1qfm h SER 324 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1qfm h SER 324 CO -0.14 0.00 -1.03 0.29 -0.87 0.00 0.00 176.83 175.07 1qfm n LYS 325 N -2.82 0.22 -1.73 4.77 4.76 0.26 -4.97 118.16 118.65 1qfm n LYS 325 Ca -0.02 -0.02 -0.40 0.00 -2.87 0.00 0.00 58.31 55.01 1qfm n LYS 325 Cb 0.12 -1.56 0.02 0.00 -1.84 0.00 0.00 35.03 31.77 1qfm n LYS 325 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1qfm n TRP 326 N -1.83 2.33 -4.00 2.13 8.01 -0.84 -4.92 117.44 118.32 1qfm n TRP 326 Ca 0.02 0.47 -0.36 0.00 -1.31 0.00 0.00 57.50 56.32 1qfm n TRP 326 Cb 0.41 -2.40 -0.07 0.00 -2.01 0.00 0.00 31.31 27.24 1qfm n TRP 326 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 1qfm s LYS 327 N -2.40 3.44 -0.55 -0.99 2.20 -0.56 -4.93 119.74 115.95 1qfm s LYS 327 Ca 0.63 -0.22 -0.20 0.00 -0.36 0.00 0.00 55.97 55.81 1qfm s LYS 327 Cb -0.47 -3.12 0.07 0.00 -1.51 0.00 0.00 37.83 32.80 1qfm s LYS 327 CO 0.56 0.67 0.74 0.08 -0.36 0.00 0.00 175.35 177.05 1qfm s VAL 328 N -0.75 4.71 -0.06 4.02 1.01 -1.26 -0.21 120.40 127.86 1qfm s VAL 328 Ca 0.13 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.39 1qfm s VAL 328 Cb -0.12 -4.43 -0.22 0.00 0.00 0.00 0.00 36.38 31.61 1qfm s VAL 328 CO 0.03 -1.01 1.09 0.25 0.00 0.00 0.00 175.10 175.45 1qfm h LEU 329 N 10.19 0.07 -7.26 3.92 5.85 -1.31 -3.42 115.31 123.35 1qfm h LEU 329 Ca -0.28 -0.68 -0.58 0.00 0.84 0.00 0.00 57.88 57.18 1qfm h LEU 329 Cb 1.09 -0.02 -0.40 0.00 0.37 0.00 0.00 40.66 41.70 1qfm h LEU 329 CO 1.04 0.74 -0.76 -0.69 -0.34 0.00 0.00 178.44 178.44 1qfm s VAL 330 N -3.48 1.00 0.91 1.05 1.01 -0.95 -4.37 120.40 115.57 1qfm s VAL 330 Ca -0.17 -1.34 -0.11 0.00 0.00 0.00 0.00 61.98 60.36 1qfm s VAL 330 Cb 0.00 -1.67 0.13 0.00 0.00 0.00 0.00 36.38 34.84 1qfm s VAL 330 CO 0.70 -0.55 1.05 -2.65 0.00 0.00 0.00 175.10 173.64 1qfm n PRO 331 N 4.81 -0.39 -2.09 2.72 -0.02 -1.26 -1.22 135.00 137.55 1qfm n PRO 331 Ca -0.03 -0.05 -0.38 0.00 -2.02 0.00 0.00 63.50 61.02 1qfm n PRO 331 Cb 0.43 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1qfm n PRO 331 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1qfm s GLU 332 N -4.45 3.64 0.22 -0.52 2.12 -1.26 -4.80 118.70 113.65 1qfm s GLU 332 Ca 0.66 1.98 -0.06 0.00 0.36 0.00 0.00 54.97 57.90 1qfm s GLU 332 Cb -0.23 -2.44 -0.06 0.00 0.26 0.00 0.00 34.13 31.66 1qfm s GLU 332 CO 0.59 -0.71 0.49 -1.01 -0.54 0.00 0.00 175.26 174.08 1qfm s HIS 333 N -1.42 3.46 0.39 5.30 3.76 -1.26 -5.00 115.29 120.52 1qfm s HIS 333 Ca 0.64 0.68 0.06 0.00 -0.15 0.00 0.00 55.06 56.29 1qfm s HIS 333 Cb -0.34 -2.11 0.80 0.00 1.11 0.00 0.00 32.58 32.03 1qfm s HIS 333 CO 0.41 0.29 2.03 1.49 -0.85 0.00 0.00 174.74 178.11 1qfm h GLU 334 N 2.31 0.63 0.00 1.40 4.81 -1.99 -3.39 114.58 118.35 1qfm h GLU 334 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1qfm h GLU 334 Cb 1.18 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1qfm h GLU 334 CO 0.69 0.42 -0.26 1.17 -0.73 0.00 0.00 179.01 180.30 1qfm n LYS 335 N -4.46 0.26 -2.28 1.92 4.81 -1.26 -5.03 118.16 112.11 1qfm n LYS 335 Ca 0.05 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.08 1qfm n LYS 335 Cb 0.09 -0.63 -0.03 0.00 0.02 0.00 0.00 35.03 34.48 1qfm n LYS 335 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1qfm s ASP 336 N -2.82 6.96 -0.12 3.14 1.01 -1.26 -4.79 116.67 118.79 1qfm s ASP 336 Ca 0.00 2.27 -0.21 0.00 0.71 0.00 0.00 52.55 55.32 1qfm s ASP 336 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1qfm s ASP 336 CO 0.00 -0.51 0.61 -0.69 0.21 0.00 0.00 175.17 174.79 1qfm s VAL 337 N 0.49 5.08 -0.59 -1.27 1.01 -0.92 -4.37 120.40 119.83 1qfm s VAL 337 Ca 0.58 1.22 -0.26 0.00 0.00 0.00 0.00 61.98 63.51 1qfm s VAL 337 Cb -0.34 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.13 1qfm s VAL 337 CO 0.34 0.23 1.10 -0.22 0.00 0.00 0.00 175.10 176.55 1qfm s LEU 338 N 1.11 3.69 -0.07 3.92 2.96 -0.43 -0.53 118.68 129.33 1qfm s LEU 338 Ca 0.31 -0.16 -0.27 0.00 -0.22 0.00 0.00 54.13 53.80 1qfm s LEU 338 Cb -0.16 -2.95 -0.22 0.00 0.50 0.00 0.00 46.19 43.35 1qfm s LEU 338 CO 0.13 -1.42 1.03 -0.33 -1.32 0.00 0.00 176.35 174.44 1qfm h GLU 339 N 9.51 -0.01 -3.20 1.98 5.08 -1.15 -3.45 114.58 123.34 1qfm h GLU 339 Ca -0.26 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1qfm h GLU 339 Cb 1.06 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.19 1qfm h GLU 339 CO 1.16 0.68 0.07 1.67 -1.00 0.00 0.00 179.01 181.59 1qfm s TRP 340 N -3.36 -0.35 -0.01 4.33 1.48 -1.19 -5.03 118.94 114.81 1qfm s TRP 340 Ca -0.17 0.08 -0.00 0.00 -1.06 0.00 0.00 56.10 54.95 1qfm s TRP 340 Cb -0.00 0.42 0.01 0.00 -1.16 0.00 0.00 33.47 32.73 1qfm s TRP 340 CO 0.67 -0.79 0.02 0.08 -4.06 0.00 0.00 176.95 172.86 1qfm s VAL 341 N -3.79 -0.01 0.09 -0.66 1.01 -1.26 -1.48 120.40 114.30 1qfm s VAL 341 Ca 0.03 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.11 1qfm s VAL 341 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 36.38 36.31 1qfm s VAL 341 CO -0.12 0.01 -0.17 0.00 0.00 0.00 0.00 175.10 174.82 1qfm s ALA 342 N 0.18 1.48 -0.19 5.51 0.00 -0.26 -4.86 121.76 123.63 1qfm s ALA 342 Ca -0.01 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 1qfm s ALA 342 Cb -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1qfm s ALA 342 CO -0.01 0.26 0.01 0.00 0.00 0.00 0.00 175.76 176.03 1qfm s VAL 344 N 0.70 0.26 -1.43 0.00 0.11 -0.43 -1.53 120.40 118.09 1qfm s VAL 344 Ca 0.00 -1.22 -0.05 0.00 -2.93 0.00 0.00 61.98 57.78 1qfm s VAL 344 Cb -0.14 -0.71 0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1qfm s VAL 344 CO 0.02 -0.62 0.71 -1.14 -3.33 0.00 0.00 175.10 170.74 1qfm n ARG 345 N 1.12 -4.49 0.00 1.54 0.63 0.10 -1.67 116.66 113.89 1qfm n ARG 345 Ca -0.21 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1qfm n ARG 345 Cb 0.57 -5.08 0.00 0.00 0.45 0.00 0.00 32.46 28.40 1qfm n ARG 345 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1qfm n SER 346 N -2.95 0.00 -0.40 6.15 7.64 0.15 -4.01 113.62 120.20 1qfm n SER 346 Ca -0.18 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.77 1qfm n SER 346 Cb 0.62 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 64.00 1qfm n SER 346 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1qfm n ASN 347 N 1.49 2.39 -4.66 6.43 2.04 -1.25 -5.00 115.26 116.70 1qfm n ASN 347 Ca 0.00 -3.35 -0.29 0.00 -0.44 0.00 0.00 54.58 50.50 1qfm n ASN 347 Cb 0.00 -0.49 -0.08 0.00 -2.53 0.00 0.00 39.78 36.68 1qfm n ASN 347 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 1qfm s PHE 348 N -3.00 2.91 -0.06 -2.53 2.99 -0.67 -0.98 117.98 116.65 1qfm s PHE 348 Ca 0.36 -0.08 0.03 0.00 0.00 0.00 0.00 56.93 57.24 1qfm s PHE 348 Cb 0.32 -1.48 0.00 0.00 0.00 0.00 0.00 43.02 41.87 1qfm s PHE 348 CO 0.01 0.48 -0.15 -0.51 -0.00 0.00 0.00 175.22 175.05 1qfm s LEU 349 N -2.47 1.81 -0.29 -0.37 1.43 0.05 -1.31 118.68 117.53 1qfm s LEU 349 Ca 0.25 -0.34 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1qfm s LEU 349 Cb -0.11 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.16 1qfm s LEU 349 CO 0.18 0.09 0.14 -0.69 0.23 0.00 0.00 176.35 176.30 1qfm s VAL 350 N 0.37 4.65 -0.14 -1.59 1.01 0.82 -0.24 120.40 125.28 1qfm s VAL 350 Ca -0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1qfm s VAL 350 Cb -0.14 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1qfm s VAL 350 CO 0.04 0.16 -0.06 -0.76 0.00 0.00 0.00 175.10 174.48 1qfm s LEU 351 N 1.64 3.16 -0.24 3.92 1.43 0.49 -1.10 118.68 127.97 1qfm s LEU 351 Ca 0.05 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1qfm s LEU 351 Cb -0.16 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1qfm s LEU 351 CO 0.06 0.19 -0.04 0.00 0.23 0.00 0.00 176.35 176.79 1qfm s TYR 353 N 1.41 3.10 -0.26 0.00 1.51 -0.62 -0.55 117.35 121.95 1qfm s TYR 353 Ca 0.03 -0.12 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 1qfm s TYR 353 Cb -0.16 -1.44 0.05 0.00 -0.11 0.00 0.00 41.96 40.31 1qfm s TYR 353 CO -0.03 0.49 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.62 1qfm s LEU 354 N -3.86 3.36 -0.28 -1.29 2.96 0.31 -1.44 118.68 118.43 1qfm s LEU 354 Ca 0.34 -1.28 -0.03 0.00 -0.22 0.00 0.00 54.13 52.94 1qfm s LEU 354 Cb -0.08 -1.57 0.03 0.00 0.50 0.00 0.00 46.19 45.08 1qfm s LEU 354 CO 0.25 -0.18 -0.00 -2.28 -1.32 0.00 0.00 176.35 172.83 1qfm s HIS 355 N 1.15 3.17 -1.46 5.38 5.65 0.47 -2.17 115.29 127.47 1qfm s HIS 355 Ca -0.07 -1.55 -0.00 0.00 0.25 0.00 0.00 55.06 53.69 1qfm s HIS 355 Cb -0.19 -2.13 0.00 0.00 -1.18 0.00 0.00 32.58 29.08 1qfm s HIS 355 CO -0.05 -0.73 0.26 -0.25 -0.65 0.00 0.00 174.74 173.32 1qfm n ASP 356 N 4.70 0.17 -1.36 9.88 8.00 -1.26 -1.47 116.55 135.21 1qfm n ASP 356 Ca -0.15 -1.11 -0.14 0.00 0.71 0.00 0.00 54.79 54.11 1qfm n ASP 356 Cb 0.46 -2.51 -0.03 0.00 -0.02 0.00 0.00 41.12 39.01 1qfm n ASP 356 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1qfm n VAL 357 N -4.47 -0.38 -4.32 2.53 0.31 -1.26 -5.02 118.33 105.72 1qfm n VAL 357 Ca -0.32 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 63.83 1qfm n VAL 357 Cb 0.69 -1.87 -0.14 0.00 -0.91 0.00 0.00 33.84 31.61 1qfm n VAL 357 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1qfm s LYS 358 N -4.04 0.68 0.30 5.55 1.02 -0.54 -4.44 119.74 118.27 1qfm s LYS 358 Ca 0.00 -0.34 -0.18 0.00 0.02 0.00 0.00 55.97 55.46 1qfm s LYS 358 Cb 0.00 -0.65 -0.09 0.00 -0.52 0.00 0.00 37.83 36.56 1qfm s LYS 358 CO 0.00 0.18 0.78 -0.80 -0.92 0.00 0.00 175.35 174.58 1qfm s ASN 359 N -0.30 6.95 0.08 2.83 0.02 -0.34 -0.40 114.94 123.78 1qfm s ASN 359 Ca 0.03 1.43 0.04 0.00 -1.02 0.00 0.00 52.86 53.34 1qfm s ASN 359 Cb -0.04 -2.43 -0.03 0.00 0.02 0.00 0.00 41.25 38.77 1qfm s ASN 359 CO -0.00 -0.13 -0.12 0.42 0.02 0.00 0.00 177.10 177.29 1qfm s THR 360 N -1.81 1.01 -0.06 1.60 -4.23 -0.52 -4.77 115.64 106.85 1qfm s THR 360 Ca 0.51 -1.40 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1qfm s THR 360 Cb -0.13 -1.12 0.01 0.00 1.34 0.00 0.00 72.50 72.60 1qfm s THR 360 CO 0.19 -0.35 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.04 1qfm s LEU 361 N -1.96 1.64 0.04 4.79 1.43 -1.26 -1.59 118.68 121.76 1qfm s LEU 361 Ca -0.00 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1qfm s LEU 361 Cb -0.08 -0.80 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 1qfm s LEU 361 CO 0.02 0.03 -0.08 -1.10 0.23 0.00 0.00 176.35 175.45 1qfm s GLN 362 N 0.66 0.55 -0.17 1.70 -0.21 -0.22 -1.07 119.66 120.90 1qfm s GLN 362 Ca -0.14 -0.68 -0.06 0.00 0.02 0.00 0.00 55.36 54.50 1qfm s GLN 362 Cb -0.16 -0.39 -0.03 0.00 1.00 0.00 0.00 33.01 33.43 1qfm s GLN 362 CO 0.03 0.08 0.02 -1.17 -2.12 0.00 0.00 175.29 172.13 1qfm s LEU 363 N -1.33 3.57 0.19 2.90 2.96 0.97 -0.38 118.68 127.56 1qfm s LEU 363 Ca -0.07 -0.01 0.08 0.00 -0.22 0.00 0.00 54.13 53.91 1qfm s LEU 363 Cb -0.09 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 1qfm s LEU 363 CO 0.00 0.17 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.06 1qfm s HIS 364 N 0.35 1.70 0.09 5.38 3.76 0.67 -0.10 115.29 127.15 1qfm s HIS 364 Ca -0.00 -0.55 -0.27 0.00 -0.15 0.00 0.00 55.06 54.08 1qfm s HIS 364 Cb -0.13 -0.81 -0.06 0.00 1.11 0.00 0.00 32.58 32.69 1qfm s HIS 364 CO 0.01 0.34 0.85 0.34 -0.85 0.00 0.00 174.74 175.43 1qfm s ASP 365 N -3.14 7.36 0.17 1.40 3.68 0.01 -0.77 116.67 125.38 1qfm s ASP 365 Ca 0.20 1.62 -0.10 0.00 2.13 0.00 0.00 52.55 56.41 1qfm s ASP 365 Cb -0.02 -2.52 0.04 0.00 -1.45 0.00 0.00 42.92 38.97 1qfm s ASP 365 CO 0.06 0.01 1.60 0.25 0.13 0.00 0.00 175.17 177.23 1qfm h LEU 366 N 5.43 1.04 -0.66 -1.34 5.85 -1.37 0.25 115.31 124.51 1qfm h LEU 366 Ca -0.44 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 57.84 1qfm h LEU 366 Cb 1.21 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1qfm h LEU 366 CO 0.71 1.14 -0.02 0.00 -0.34 0.00 0.00 178.44 179.92 1qfm h ALA 367 N 0.94 0.87 0.00 1.25 0.00 -1.94 -3.35 119.26 117.03 1qfm h ALA 367 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1qfm h ALA 367 Cb 0.66 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1qfm h ALA 367 CO 0.05 0.66 -1.35 0.25 0.00 0.00 0.00 179.25 178.85 1qfm n THR 368 N -4.17 0.00 -0.82 0.00 -2.24 -1.23 -5.00 114.28 100.82 1qfm n THR 368 Ca 0.03 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1qfm n THR 368 Cb 0.35 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1qfm n THR 368 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qfm n GLY 369 N 2.06 0.86 3.76 3.38 0.00 0.87 -4.85 105.19 111.27 1qfm n GLY 369 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1qfm n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfm s ALA 370 N -3.37 3.10 0.09 4.61 0.00 -1.25 -4.55 121.76 120.39 1qfm s ALA 370 Ca 0.00 1.25 -0.31 0.00 0.00 0.00 0.00 51.96 52.91 1qfm s ALA 370 Cb 0.00 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.54 1qfm s ALA 370 CO 0.00 -1.00 1.29 -1.17 0.00 0.00 0.00 175.76 174.88 1qfm s LEU 371 N -2.86 4.37 -0.10 0.00 2.96 -1.26 -0.81 118.68 120.99 1qfm s LEU 371 Ca 0.62 2.18 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 1qfm s LEU 371 Cb -0.38 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.66 1qfm s LEU 371 CO 0.48 -0.56 -0.09 0.18 -1.32 0.00 0.00 176.35 175.04 1qfm n LEU 372 N 3.86 2.75 -3.65 -0.68 4.77 0.86 -4.91 117.00 119.99 1qfm n LEU 372 Ca 0.10 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 1qfm n LEU 372 Cb 0.44 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 1qfm n LEU 372 CO 0.57 0.62 0.24 -0.75 -1.33 0.00 0.00 177.39 176.74 1qfm s LYS 373 N -2.20 0.79 -0.18 3.23 2.47 -0.98 -4.99 119.74 117.88 1qfm s LYS 373 Ca -0.14 0.32 -0.04 0.00 -1.56 0.00 0.00 55.97 54.56 1qfm s LYS 373 Cb 0.04 0.37 -0.02 0.00 -1.46 0.00 0.00 37.83 36.76 1qfm s LYS 373 CO 0.23 -0.19 -0.03 0.42 0.16 0.00 0.00 175.35 175.93 1qfm s ILE 374 N -0.67 3.76 -0.40 5.43 1.01 -1.26 -0.02 121.20 129.04 1qfm s ILE 374 Ca -0.08 -0.39 -0.21 0.00 0.00 0.00 0.00 60.65 59.98 1qfm s ILE 374 Cb -0.03 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.78 1qfm s ILE 374 CO 0.05 0.46 0.66 -0.36 0.00 0.00 0.00 174.94 175.75 1qfm s PHE 375 N 0.80 3.10 0.31 3.97 0.40 -0.23 -5.00 117.98 121.32 1qfm s PHE 375 Ca -0.01 0.18 -0.29 0.00 -0.60 0.00 0.00 56.93 56.21 1qfm s PHE 375 Cb -0.14 -3.29 -0.11 0.00 0.51 0.00 0.00 43.02 39.98 1qfm s PHE 375 CO 0.02 -0.77 1.53 -1.25 0.70 0.00 0.00 175.22 175.45 1qfm s PRO 376 N 2.84 4.15 -0.02 0.24 0.04 -1.26 -4.26 135.00 136.73 1qfm s PRO 376 Ca 0.25 2.51 -0.09 0.00 0.04 0.00 0.00 61.00 63.71 1qfm s PRO 376 Cb -0.14 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.39 1qfm s PRO 376 CO 0.17 -0.55 0.20 -0.51 0.04 0.00 0.00 177.00 176.35 1qfm s LEU 377 N -0.96 1.30 0.98 -3.56 1.43 -1.26 -5.07 118.68 111.55 1qfm s LEU 377 Ca 0.59 -0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.52 1qfm s LEU 377 Cb -0.46 0.84 0.21 0.00 0.03 0.00 0.00 46.19 46.81 1qfm s LEU 377 CO 0.51 -0.34 1.32 -1.61 0.23 0.00 0.00 176.35 176.47 1qfm s GLU 378 N -1.09 0.48 -0.10 1.70 0.41 -1.26 -4.95 118.70 113.89 1qfm s GLU 378 Ca -0.12 -0.43 -0.29 0.00 -0.41 0.00 0.00 54.97 53.72 1qfm s GLU 378 Cb -0.06 -1.83 -0.05 0.00 -1.78 0.00 0.00 34.13 30.41 1qfm s GLU 378 CO 0.02 -2.52 1.71 0.08 -0.49 0.00 0.00 175.26 174.06 1qfm s VAL 379 N -3.87 3.52 -2.39 2.63 1.01 -1.26 -4.81 120.40 115.23 1qfm s VAL 379 Ca 0.75 0.62 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1qfm s VAL 379 Cb -0.04 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1qfm s VAL 379 CO 0.53 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1qfm n GLY 380 N 4.41 -0.66 3.20 4.51 0.00 -1.26 -4.78 105.19 110.61 1qfm n GLY 380 Ca 0.19 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 1qfm n GLY 380 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qfm s SER 381 N -4.00 1.93 -0.34 1.61 0.01 0.03 -1.20 113.70 111.75 1qfm s SER 381 Ca 0.00 -0.63 -0.15 0.00 1.31 0.00 0.00 55.95 56.47 1qfm s SER 381 Cb 0.00 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 1qfm s SER 381 CO 0.00 -0.03 0.38 -0.69 0.41 0.00 0.00 173.24 173.31 1qfm s VAL 382 N -1.23 5.15 -1.16 3.43 1.01 -1.26 -1.11 120.40 125.23 1qfm s VAL 382 Ca 0.01 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.18 1qfm s VAL 382 Cb -0.10 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.53 1qfm s VAL 382 CO 0.03 -0.10 0.82 0.55 0.00 0.00 0.00 175.10 176.40 1qfm n VAL 383 N 5.26 0.05 -3.62 2.92 3.14 0.34 -5.01 118.33 121.41 1qfm n VAL 383 Ca -0.09 -0.53 -0.16 0.00 -2.96 0.00 0.00 64.34 60.61 1qfm n VAL 383 Cb 0.49 1.16 -0.07 0.00 -1.06 0.00 0.00 33.84 34.36 1qfm n VAL 383 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1qfm s GLY 384 N -0.80 -0.42 -0.18 7.55 0.00 -1.20 -4.94 107.32 107.34 1qfm s GLY 384 Ca 0.12 1.02 -0.28 0.00 0.00 0.00 0.00 44.72 45.58 1qfm s GLY 384 CO 0.12 0.73 0.77 -0.47 0.00 0.00 0.00 173.10 174.25 1qfm s TYR 385 N -1.05 -0.66 -0.02 1.90 5.04 -1.26 -0.59 117.35 120.71 1qfm s TYR 385 Ca -0.10 1.40 -0.05 0.00 -2.44 0.00 0.00 57.07 55.88 1qfm s TYR 385 Cb -0.02 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.64 1qfm s TYR 385 CO 0.07 -0.44 0.11 -1.54 -1.34 0.00 0.00 175.55 172.41 1qfm s SER 386 N -0.37 -0.03 0.00 4.32 1.04 -0.32 -4.98 113.70 113.36 1qfm s SER 386 Ca -0.04 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1qfm s SER 386 Cb -0.03 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1qfm s SER 386 CO 0.03 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1qfm n GLY 387 N 2.28 1.23 4.01 7.32 0.00 -1.26 -2.39 105.19 116.39 1qfm n GLY 387 Ca -0.18 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1qfm n GLY 387 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qfm s GLN 388 N 0.00 1.87 0.27 1.61 -2.07 -1.26 -4.42 119.66 115.65 1qfm s GLN 388 Ca 0.00 -1.34 -0.00 0.00 -1.82 0.00 0.00 55.36 52.20 1qfm s GLN 388 Cb 0.00 -2.45 0.55 0.00 -1.09 0.00 0.00 33.01 30.03 1qfm s GLN 388 CO 0.00 -1.26 1.77 -0.22 -1.32 0.00 0.00 175.29 174.25 1qfm h LYS 389 N -0.29 0.63 -0.00 9.60 3.64 -1.63 -0.59 116.57 127.94 1qfm h LYS 389 Ca -0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1qfm h LYS 389 Cb 1.27 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1qfm h LYS 389 CO 0.40 0.42 -0.12 0.36 -2.27 0.00 0.00 179.45 178.24 1qfm n LYS 390 N -4.85 0.11 -1.99 1.90 2.85 -1.26 -0.68 118.16 114.24 1qfm n LYS 390 Ca 0.18 -0.02 -0.32 0.00 -1.05 0.00 0.00 58.31 57.09 1qfm n LYS 390 Cb 0.44 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.34 1qfm n LYS 390 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1qfm s ASP 391 N -2.90 5.86 -0.13 -5.58 1.01 -0.23 -4.82 116.67 109.88 1qfm s ASP 391 Ca 0.16 1.71 0.19 0.00 0.71 0.00 0.00 52.55 55.32 1qfm s ASP 391 Cb 0.19 -2.52 0.29 0.00 1.01 0.00 0.00 42.92 41.89 1qfm s ASP 391 CO 0.55 -1.11 1.15 0.35 0.21 0.00 0.00 175.17 176.32 1qfm n THR 392 N -2.23 1.86 -3.56 -1.27 -2.24 -1.26 -0.72 114.28 104.86 1qfm n THR 392 Ca 0.08 -2.25 -0.11 0.00 -2.27 0.00 0.00 64.05 59.50 1qfm n THR 392 Cb 0.53 -0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 1qfm n THR 392 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1qfm s GLU 393 N -2.84 1.16 0.09 -0.78 -1.05 -1.26 -0.84 118.70 113.18 1qfm s GLU 393 Ca 0.32 -0.63 0.05 0.00 -0.15 0.00 0.00 54.97 54.56 1qfm s GLU 393 Cb 0.28 0.52 -0.03 0.00 -0.44 0.00 0.00 34.13 34.45 1qfm s GLU 393 CO 0.03 -0.48 -0.14 0.96 0.95 0.00 0.00 175.26 176.58 1qfm s ILE 394 N -3.79 1.14 0.02 1.83 -4.36 -0.58 -4.47 121.20 111.00 1qfm s ILE 394 Ca 0.03 -1.46 0.05 0.00 -0.26 0.00 0.00 60.65 59.01 1qfm s ILE 394 Cb 0.01 -1.23 -0.02 0.00 1.25 0.00 0.00 42.46 42.47 1qfm s ILE 394 CO -0.12 -0.32 -0.16 -0.36 0.24 0.00 0.00 174.94 174.22 1qfm s PHE 395 N -1.67 1.42 -0.09 1.37 0.40 -1.00 -1.10 117.98 117.31 1qfm s PHE 395 Ca 0.02 -0.32 -0.14 0.00 -0.60 0.00 0.00 56.93 55.89 1qfm s PHE 395 Cb -0.08 -0.87 0.03 0.00 0.51 0.00 0.00 43.02 42.61 1qfm s PHE 395 CO 0.02 0.02 0.34 1.52 0.70 0.00 0.00 175.22 177.83 1qfm s TYR 396 N -0.64 -0.31 -0.12 0.36 -0.85 -0.70 -1.17 117.35 113.91 1qfm s TYR 396 Ca 0.05 0.69 -0.00 0.00 -0.52 0.00 0.00 57.07 57.29 1qfm s TYR 396 Cb -0.07 0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.37 1qfm s TYR 396 CO 0.01 -0.27 -0.12 -1.14 -1.52 0.00 0.00 175.55 172.51 1qfm s GLN 397 N -0.41 3.30 0.04 -3.49 0.74 0.24 -0.54 119.66 119.54 1qfm s GLN 397 Ca -0.05 -0.65 0.05 0.00 0.05 0.00 0.00 55.36 54.75 1qfm s GLN 397 Cb -0.03 -2.64 -0.03 0.00 1.10 0.00 0.00 33.01 31.40 1qfm s GLN 397 CO 0.02 0.29 -0.10 0.12 -0.55 0.00 0.00 175.29 175.06 1qfm s PHE 398 N 0.17 2.77 0.13 1.67 5.36 0.17 -0.50 117.98 127.74 1qfm s PHE 398 Ca -0.06 -0.13 -0.11 0.00 -0.96 0.00 0.00 56.93 55.67 1qfm s PHE 398 Cb -0.15 -1.52 0.00 0.00 -0.34 0.00 0.00 43.02 41.01 1qfm s PHE 398 CO 0.05 0.36 0.29 -0.08 -1.46 0.00 0.00 175.22 174.37 1qfm s THR 399 N -1.04 0.09 0.36 0.12 -1.32 -0.27 -1.37 115.64 112.20 1qfm s THR 399 Ca 0.18 -1.14 -0.09 0.00 -1.21 0.00 0.00 61.69 59.43 1qfm s THR 399 Cb -0.11 -1.53 0.04 0.00 -1.51 0.00 0.00 72.50 69.38 1qfm s THR 399 CO 0.09 -0.42 0.62 -1.54 -2.21 0.00 0.00 174.62 171.17 1qfm n SER 400 N -0.17 -1.79 0.08 8.08 3.41 -1.18 -0.79 113.62 121.25 1qfm n SER 400 Ca -0.12 -2.62 0.02 0.00 -0.26 0.00 0.00 58.87 55.89 1qfm n SER 400 Cb 0.63 3.10 0.37 0.00 -0.26 0.00 0.00 64.21 68.05 1qfm n SER 400 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1qfm h PHE 401 N 1.94 0.35 0.00 7.33 -1.00 -1.85 -2.32 116.94 121.40 1qfm h PHE 401 Ca -0.29 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.46 1qfm h PHE 401 Cb 1.15 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.60 1qfm h PHE 401 CO 0.00 0.40 -1.83 1.28 -1.61 0.00 0.00 178.31 176.55 1qfm n LEU 402 N -4.31 0.06 -4.37 1.54 4.77 -1.26 -4.45 117.00 108.97 1qfm n LEU 402 Ca 0.00 -0.03 -0.32 0.00 -0.03 0.00 0.00 56.01 55.63 1qfm n LEU 402 Cb 0.23 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.18 1qfm n LEU 402 CO 0.38 0.01 -0.51 -0.94 -1.33 0.00 0.00 177.39 175.00 1qfm s SER 403 N -4.15 3.52 0.64 -1.43 1.04 -1.24 -4.74 113.70 107.33 1qfm s SER 403 Ca -0.06 -0.36 0.43 0.00 0.48 0.00 0.00 55.95 56.44 1qfm s SER 403 Cb 0.13 -0.72 2.32 0.00 0.10 0.00 0.00 66.02 67.85 1qfm s SER 403 CO 0.81 0.31 2.31 -0.65 0.98 0.00 0.00 173.24 177.00 1qfm h PRO 404 N 5.61 0.00 0.00 4.02 0.11 -1.85 -3.12 132.00 136.76 1qfm h PRO 404 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1qfm h PRO 404 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1qfm h PRO 404 CO 0.49 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.69 1qfm n GLY 405 N -1.07 2.87 2.94 -0.55 0.00 -1.26 -4.87 105.19 103.25 1qfm n GLY 405 Ca -0.03 -2.03 -0.18 0.00 0.00 0.00 0.00 46.02 43.79 1qfm n GLY 405 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qfm s ILE 406 N -2.65 0.50 -0.22 -0.61 1.01 -0.47 -4.07 121.20 114.69 1qfm s ILE 406 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 1qfm s ILE 406 Cb 0.00 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 1qfm s ILE 406 CO 0.00 0.17 0.04 -0.63 0.00 0.00 0.00 174.94 174.52 1qfm s ILE 407 N 0.25 4.28 0.27 2.92 1.01 0.43 -0.66 121.20 129.69 1qfm s ILE 407 Ca -0.03 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.50 1qfm s ILE 407 Cb -0.07 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 1qfm s ILE 407 CO -0.00 0.39 0.23 -0.31 0.00 0.00 0.00 174.94 175.25 1qfm s TYR 408 N 1.17 3.10 -0.00 3.97 1.51 0.30 0.14 117.35 127.54 1qfm s TYR 408 Ca 0.04 -0.14 -0.01 0.00 -1.01 0.00 0.00 57.07 55.95 1qfm s TYR 408 Cb -0.14 -1.49 -0.00 0.00 -0.11 0.00 0.00 41.96 40.21 1qfm s TYR 408 CO 0.03 0.45 0.02 -1.58 -1.11 0.00 0.00 175.55 173.36 1qfm s HIS 409 N -2.15 0.05 -0.09 2.71 2.46 -0.10 -1.72 115.29 116.44 1qfm s HIS 409 Ca 0.34 -0.10 -0.04 0.00 0.47 0.00 0.00 55.06 55.74 1qfm s HIS 409 Cb -0.08 -0.05 0.05 0.00 -0.13 0.00 0.00 32.58 32.37 1qfm s HIS 409 CO 0.26 -0.08 0.18 0.00 -2.47 0.00 0.00 174.74 172.62 1qfm s ASP 411 N 2.19 6.60 0.00 0.00 -1.08 -1.26 -1.52 116.67 121.59 1qfm s ASP 411 Ca 0.01 0.36 0.20 0.00 -0.52 0.00 0.00 52.55 52.61 1qfm s ASP 411 Cb -0.12 -2.51 1.06 0.00 -1.46 0.00 0.00 42.92 39.90 1qfm s ASP 411 CO -0.06 -1.14 1.71 0.18 0.52 0.00 0.00 175.17 176.37 1qfm n LEU 412 N 7.50 0.50 0.17 -1.34 4.77 -0.02 -3.33 117.00 125.26 1qfm n LEU 412 Ca 0.10 -0.20 0.12 0.00 -0.03 0.00 0.00 56.01 55.99 1qfm n LEU 412 Cb 0.49 -0.03 0.13 0.00 -2.33 0.00 0.00 43.42 41.68 1qfm n LEU 412 CO 0.68 0.10 0.55 0.71 -1.33 0.00 0.00 177.39 178.10 1qfm h THR 413 N 0.68 0.00 -3.87 -5.08 1.35 -1.91 -3.46 112.91 100.61 1qfm h THR 413 Ca 0.00 -0.95 -0.51 0.00 -0.55 0.00 0.00 66.41 64.40 1qfm h THR 413 Cb 0.15 1.78 0.04 0.00 -1.73 0.00 0.00 68.15 68.39 1qfm h THR 413 CO 0.00 0.00 0.53 -0.54 -0.25 0.00 0.00 175.52 175.26 1qfm s LYS 414 N -3.25 4.37 0.21 4.72 -0.14 -1.21 -4.95 119.74 119.49 1qfm s LYS 414 Ca 0.05 1.94 -0.06 0.00 -1.36 0.00 0.00 55.97 56.54 1qfm s LYS 414 Cb 0.07 -2.99 0.16 0.00 -1.68 0.00 0.00 37.83 33.40 1qfm s LYS 414 CO 0.71 -0.08 1.66 0.93 -0.76 0.00 0.00 175.35 177.81 1qfm h GLU 415 N 3.30 0.92 -4.46 1.68 4.39 -1.92 -3.36 114.58 115.13 1qfm h GLU 415 Ca -0.48 -0.31 -0.70 0.00 0.34 0.00 0.00 59.36 58.21 1qfm h GLU 415 Cb 1.22 -0.07 -0.33 0.00 -0.10 0.00 0.00 28.75 29.47 1qfm h GLU 415 CO 0.65 0.96 -0.52 -1.21 -1.16 0.00 0.00 179.01 177.73 1qfm s GLU 416 N -4.87 2.18 0.14 2.33 2.02 -1.26 -5.07 118.70 114.17 1qfm s GLU 416 Ca -0.10 -1.74 -0.31 0.00 0.02 0.00 0.00 54.97 52.83 1qfm s GLU 416 Cb 0.14 -3.65 -0.09 0.00 0.10 0.00 0.00 34.13 30.63 1qfm s GLU 416 CO 0.84 -1.06 1.47 -0.51 0.02 0.00 0.00 175.26 176.02 1qfm s LEU 417 N 1.22 4.37 -0.34 1.80 1.43 -1.26 -5.00 118.68 120.90 1qfm s LEU 417 Ca 0.06 2.46 -0.01 0.00 -1.03 0.00 0.00 54.13 55.62 1qfm s LEU 417 Cb -0.23 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.52 1qfm s LEU 417 CO -0.03 -0.73 0.18 -1.61 0.23 0.00 0.00 176.35 174.40 1qfm s GLU 418 N 1.07 0.60 0.43 1.70 2.02 -1.26 -5.12 118.70 118.13 1qfm s GLU 418 Ca 0.67 -1.20 -0.25 0.00 0.02 0.00 0.00 54.97 54.20 1qfm s GLU 418 Cb -0.40 -1.52 -0.08 0.00 0.10 0.00 0.00 34.13 32.23 1qfm s GLU 418 CO 0.31 -1.12 1.36 -1.25 0.02 0.00 0.00 175.26 174.57 1qfm s PRO 419 N 1.29 3.81 0.04 0.39 0.04 -1.26 -4.67 135.00 134.64 1qfm s PRO 419 Ca 0.15 2.27 0.01 0.00 0.04 0.00 0.00 61.00 63.46 1qfm s PRO 419 Cb -0.21 -2.69 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 1qfm s PRO 419 CO -0.12 -0.66 -0.05 0.50 0.04 0.00 0.00 177.00 176.71 1qfm s ARG 420 N -2.37 0.51 -0.01 4.56 6.06 -0.12 -4.97 118.95 122.62 1qfm s ARG 420 Ca 0.59 -0.87 -0.30 0.00 -2.50 0.00 0.00 55.73 52.65 1qfm s ARG 420 Cb -0.40 -0.05 -0.05 0.00 0.06 0.00 0.00 34.95 34.50 1qfm s ARG 420 CO 0.52 -0.02 1.41 0.08 -2.50 0.00 0.00 175.30 174.78 1qfm s VAL 421 N -2.19 3.72 -0.26 7.11 1.01 -1.26 -0.93 120.40 127.60 1qfm s VAL 421 Ca -0.06 1.09 -0.00 0.00 0.00 0.00 0.00 61.98 63.01 1qfm s VAL 421 Cb -0.05 -3.70 -0.17 0.00 0.00 0.00 0.00 36.38 32.47 1qfm s VAL 421 CO -0.03 -0.01 -0.23 0.33 0.00 0.00 0.00 175.10 175.16 1qfm n PHE 422 N 5.46 0.03 -3.72 5.22 7.35 0.12 -4.88 117.46 127.05 1qfm n PHE 422 Ca 0.13 0.01 -0.12 0.00 -0.76 0.00 0.00 57.45 56.71 1qfm n PHE 422 Cb 0.44 -1.00 -0.11 0.00 0.35 0.00 0.00 39.48 39.15 1qfm n PHE 422 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1qfm s ARG 423 N -2.52 0.40 -0.17 -4.13 6.06 -0.80 -4.99 118.95 112.80 1qfm s ARG 423 Ca -0.35 0.67 -0.06 0.00 -2.50 0.00 0.00 55.73 53.49 1qfm s ARG 423 Cb 0.10 0.06 0.08 0.00 0.06 0.00 0.00 34.95 35.25 1qfm s ARG 423 CO 0.59 -0.12 0.34 -2.00 -2.50 0.00 0.00 175.30 171.61 1qfm s GLU 424 N 0.92 0.24 -0.06 5.12 2.12 -1.26 -0.43 118.70 125.34 1qfm s GLU 424 Ca -0.06 0.86 -0.00 0.00 0.36 0.00 0.00 54.97 56.13 1qfm s GLU 424 Cb -0.06 0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.39 1qfm s GLU 424 CO -0.07 -0.29 -0.02 0.14 -0.54 0.00 0.00 175.26 174.47 1qfm s VAL 425 N 2.52 4.07 -0.11 3.70 -7.23 -1.26 -5.09 120.40 117.00 1qfm s VAL 425 Ca 0.01 -0.39 -0.02 0.00 -1.81 0.00 0.00 61.98 59.76 1qfm s VAL 425 Cb -0.12 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 1qfm s VAL 425 CO -0.11 0.56 -0.02 0.28 -0.31 0.00 0.00 175.10 175.50 1qfm s THR 426 N -0.90 4.08 -0.42 5.32 -1.32 -1.26 -4.64 115.64 116.51 1qfm s THR 426 Ca 0.14 -0.32 -0.16 0.00 -1.21 0.00 0.00 61.69 60.14 1qfm s THR 426 Cb -0.11 -2.74 0.02 0.00 -1.51 0.00 0.00 72.50 68.16 1qfm s THR 426 CO 0.03 0.56 0.38 -0.69 -2.21 0.00 0.00 174.62 172.69 1qfm s VAL 427 N -0.39 5.16 0.41 5.08 1.01 -1.26 -4.97 120.40 125.44 1qfm s VAL 427 Ca 0.07 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 1qfm s VAL 427 Cb -0.12 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 1qfm s VAL 427 CO 0.02 -0.38 1.15 -0.54 0.00 0.00 0.00 175.10 175.35 1qfm s LYS 428 N 1.93 4.03 0.00 2.72 1.02 -1.26 -3.38 119.74 124.80 1qfm s LYS 428 Ca 0.09 1.78 0.00 0.00 0.02 0.00 0.00 55.97 57.86 1qfm s LYS 428 Cb -0.18 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 1qfm s LYS 428 CO 0.12 -0.32 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 1qfm n GLY 429 N 0.57 2.96 3.10 -3.33 0.00 -1.26 -4.87 105.19 102.37 1qfm n GLY 429 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1qfm n GLY 429 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qfm s ILE 430 N -2.76 2.27 -0.46 -0.61 1.01 -1.22 -5.08 121.20 114.35 1qfm s ILE 430 Ca 0.00 -1.36 -0.18 0.00 0.00 0.00 0.00 60.65 59.11 1qfm s ILE 430 Cb 0.00 -2.21 0.04 0.00 0.01 0.00 0.00 42.46 40.30 1qfm s ILE 430 CO 0.00 0.15 0.53 -0.62 0.00 0.00 0.00 174.94 175.00 1qfm s ASP 431 N 1.19 6.22 0.47 3.58 -1.08 -1.26 -4.84 116.67 120.94 1qfm s ASP 431 Ca -0.04 -0.76 0.16 0.00 -0.52 0.00 0.00 52.55 51.40 1qfm s ASP 431 Cb -0.18 -2.26 1.13 0.00 -1.46 0.00 0.00 42.92 40.16 1qfm s ASP 431 CO -0.07 -0.72 2.01 0.00 0.52 0.00 0.00 175.17 176.91 1qfm h ALA 432 N 8.84 2.10 0.00 3.66 0.00 -1.95 -1.26 119.26 130.66 1qfm h ALA 432 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1qfm h ALA 432 Cb 1.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1qfm h ALA 432 CO 0.87 -0.21 0.00 0.77 0.00 0.00 0.00 179.25 180.69 1qfm h SER 433 N 0.27 0.00 1.39 0.00 0.02 -1.96 -2.00 113.55 111.27 1qfm h SER 433 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1qfm h SER 433 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1qfm h SER 433 CO -0.05 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.11 1qfm n ASP 434 N -2.97 0.82 -4.73 3.07 10.43 -0.47 -4.89 116.55 117.81 1qfm n ASP 434 Ca -0.01 0.59 -0.24 0.00 2.57 0.00 0.00 54.79 57.70 1qfm n ASP 434 Cb 0.17 -0.80 -0.07 0.00 1.84 0.00 0.00 41.12 42.25 1qfm n ASP 434 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1qfm s TYR 435 N -3.13 2.63 -0.01 1.24 2.02 -0.75 -1.38 117.35 117.97 1qfm s TYR 435 Ca 0.10 -0.50 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1qfm s TYR 435 Cb 0.12 -1.81 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1qfm s TYR 435 CO 0.57 0.26 0.02 -1.14 -1.57 0.00 0.00 175.55 173.69 1qfm s GLN 436 N -3.87 0.02 -0.18 -0.62 0.74 0.27 -4.77 119.66 111.25 1qfm s GLN 436 Ca 0.40 0.03 0.01 0.00 0.05 0.00 0.00 55.36 55.85 1qfm s GLN 436 Cb 0.01 0.00 0.02 0.00 1.10 0.00 0.00 33.01 34.14 1qfm s GLN 436 CO 0.22 -0.01 -0.19 0.99 -0.55 0.00 0.00 175.29 175.75 1qfm s THR 437 N 0.04 2.14 0.09 -0.34 2.01 -1.26 -1.49 115.64 116.83 1qfm s THR 437 Ca -0.00 -0.92 0.09 0.00 0.31 0.00 0.00 61.69 61.16 1qfm s THR 437 Cb -0.00 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1qfm s THR 437 CO -0.00 0.54 -0.22 0.68 -0.69 0.00 0.00 174.62 174.92 1qfm s VAL 438 N 1.22 1.84 -0.13 3.82 -7.23 -0.36 -4.97 120.40 114.59 1qfm s VAL 438 Ca 0.03 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1qfm s VAL 438 Cb -0.13 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 1qfm s VAL 438 CO -0.11 0.05 -0.15 -1.58 -0.31 0.00 0.00 175.10 173.00 1qfm s GLN 439 N -1.76 3.31 0.29 4.82 0.74 -1.26 -0.64 119.66 125.15 1qfm s GLN 439 Ca 0.08 -0.72 0.05 0.00 0.05 0.00 0.00 55.36 54.82 1qfm s GLN 439 Cb -0.10 -2.59 -0.06 0.00 1.10 0.00 0.00 33.01 31.36 1qfm s GLN 439 CO 0.04 0.17 0.01 0.96 -0.55 0.00 0.00 175.29 175.92 1qfm s ILE 440 N 0.43 1.29 -0.16 -2.34 -5.25 -0.34 -4.98 121.20 109.85 1qfm s ILE 440 Ca -0.11 -2.05 0.00 0.00 -0.99 0.00 0.00 60.65 57.50 1qfm s ILE 440 Cb -0.16 -2.57 0.04 0.00 2.95 0.00 0.00 42.46 42.71 1qfm s ILE 440 CO 0.05 -0.18 -0.09 -0.36 -1.79 0.00 0.00 174.94 172.58 1qfm s PHE 441 N -3.24 1.95 0.06 1.37 0.40 -1.26 -1.10 117.98 116.15 1qfm s PHE 441 Ca 0.32 -1.19 0.04 0.00 -0.60 0.00 0.00 56.93 55.50 1qfm s PHE 441 Cb 0.06 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 1qfm s PHE 441 CO 0.13 -0.65 -0.03 1.52 0.70 0.00 0.00 175.22 176.90 1qfm s TYR 442 N 1.55 2.96 0.13 0.36 -0.85 -0.06 -4.80 117.35 116.64 1qfm s TYR 442 Ca 0.02 -0.02 -0.29 0.00 -0.52 0.00 0.00 57.07 56.25 1qfm s TYR 442 Cb -0.15 -1.57 -0.06 0.00 0.38 0.00 0.00 41.96 40.56 1qfm s TYR 442 CO -0.08 0.45 0.92 -1.25 -1.52 0.00 0.00 175.55 174.06 1qfm s PRO 443 N -1.96 4.69 0.52 -3.49 0.04 -1.26 -0.03 135.00 133.51 1qfm s PRO 443 Ca 0.22 1.39 -0.03 0.00 0.04 0.00 0.00 61.00 62.62 1qfm s PRO 443 Cb -0.11 -3.35 0.11 0.00 0.04 0.00 0.00 34.50 31.18 1qfm s PRO 443 CO 0.14 0.30 0.71 0.45 0.04 0.00 0.00 177.00 178.64 1qfm n SER 444 N 2.49 0.66 -0.23 6.66 2.88 0.22 -4.90 113.62 121.40 1qfm n SER 444 Ca 0.00 -1.63 0.02 0.00 -1.33 0.00 0.00 58.87 55.94 1qfm n SER 444 Cb 0.49 -0.49 0.14 0.00 -0.75 0.00 0.00 64.21 63.60 1qfm n SER 444 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1qfm h LYS 445 N 0.00 0.39 -0.15 -1.46 3.64 -1.88 -0.41 116.57 116.70 1qfm h LYS 445 Ca -0.23 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1qfm h LYS 445 Cb 0.79 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1qfm h LYS 445 CO 0.22 0.26 0.00 -0.40 -2.27 0.00 0.00 179.45 177.26 1qfm n ASP 446 N -5.02 1.06 0.00 4.20 3.85 -1.26 -4.90 116.55 114.48 1qfm n ASP 446 Ca 0.11 -1.76 0.00 0.00 -0.71 0.00 0.00 54.79 52.43 1qfm n ASP 446 Cb 0.34 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 1qfm n ASP 446 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1qfm n GLY 447 N 0.93 1.59 3.74 6.12 0.00 -0.16 -5.04 105.19 112.37 1qfm n GLY 447 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1qfm n GLY 447 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qfm s THR 448 N -2.33 2.08 -0.16 2.61 2.01 -1.26 -4.47 115.64 114.11 1qfm s THR 448 Ca 0.00 0.07 -0.26 0.00 0.31 0.00 0.00 61.69 61.81 1qfm s THR 448 Cb 0.00 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.45 1qfm s THR 448 CO 0.00 0.01 0.86 -0.54 -0.69 0.00 0.00 174.62 174.26 1qfm s LYS 449 N -0.14 4.31 -0.12 4.92 -0.14 -1.26 -0.61 119.74 126.70 1qfm s LYS 449 Ca 0.66 1.07 -0.01 0.00 -1.36 0.00 0.00 55.97 56.32 1qfm s LYS 449 Cb -0.48 -3.57 -0.02 0.00 -1.68 0.00 0.00 37.83 32.07 1qfm s LYS 449 CO 0.44 -0.33 -0.07 0.42 -0.76 0.00 0.00 175.35 175.05 1qfm s ILE 450 N 2.16 3.62 0.46 2.17 -1.09 0.96 -4.88 121.20 124.61 1qfm s ILE 450 Ca 0.40 -0.47 -0.21 0.00 -2.23 0.00 0.00 60.65 58.14 1qfm s ILE 450 Cb -0.17 -2.54 -0.10 0.00 -1.58 0.00 0.00 42.46 38.08 1qfm s ILE 450 CO 0.13 0.53 0.99 -2.84 -1.23 0.00 0.00 174.94 172.52 1qfm s PRO 451 N 0.01 4.01 -0.16 2.79 0.02 -1.26 -0.88 135.00 139.54 1qfm s PRO 451 Ca -0.01 1.23 -0.09 0.00 0.02 0.00 0.00 61.00 62.16 1qfm s PRO 451 Cb -0.14 -2.14 0.06 0.00 0.02 0.00 0.00 34.50 32.30 1qfm s PRO 451 CO 0.03 -0.23 0.38 1.41 -0.33 0.00 0.00 177.00 178.26 1qfm s MET 452 N -3.23 0.37 -0.03 5.54 1.75 -0.26 -0.64 119.30 122.80 1qfm s MET 452 Ca 0.64 0.74 -0.14 0.00 -1.25 0.00 0.00 55.69 55.68 1qfm s MET 452 Cb -0.13 -0.03 -0.05 0.00 2.84 0.00 0.00 34.83 37.46 1qfm s MET 452 CO 0.17 -0.15 0.37 -0.06 -0.65 0.00 0.00 175.02 174.69 1qfm s PHE 453 N 1.33 3.69 -0.08 4.11 0.40 -0.25 -1.19 117.98 125.98 1qfm s PHE 453 Ca -0.09 0.91 0.01 0.00 -0.60 0.00 0.00 56.93 57.17 1qfm s PHE 453 Cb -0.08 -2.26 0.02 0.00 0.51 0.00 0.00 43.02 41.21 1qfm s PHE 453 CO -0.12 0.62 -0.10 0.42 0.70 0.00 0.00 175.22 176.74 1qfm s ILE 454 N -0.93 1.06 -0.13 0.64 1.01 0.18 -1.20 121.20 121.83 1qfm s ILE 454 Ca 0.22 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.49 1qfm s ILE 454 Cb -0.16 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.31 1qfm s ILE 454 CO 0.12 0.35 -0.20 -0.69 0.00 0.00 0.00 174.94 174.51 1qfm s VAL 455 N 0.96 2.32 0.25 2.92 1.01 0.33 -1.22 120.40 126.97 1qfm s VAL 455 Ca -0.09 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.80 1qfm s VAL 455 Cb -0.15 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1qfm s VAL 455 CO 0.00 0.54 0.62 -1.38 0.00 0.00 0.00 175.10 174.89 1qfm s HIS 456 N 0.61 -0.06 0.30 5.22 -3.43 -0.56 -1.08 115.29 116.30 1qfm s HIS 456 Ca -0.11 -0.35 -0.29 0.00 -0.80 0.00 0.00 55.06 53.51 1qfm s HIS 456 Cb -0.16 0.52 -0.10 0.00 -1.43 0.00 0.00 32.58 31.41 1qfm s HIS 456 CO 0.03 -1.11 1.26 0.15 -2.00 0.00 0.00 174.74 173.07 1qfm s LYS 457 N -3.93 4.43 0.41 -0.38 1.02 -1.26 -0.56 119.74 119.47 1qfm s LYS 457 Ca 0.13 2.10 -0.26 0.00 0.02 0.00 0.00 55.97 57.95 1qfm s LYS 457 Cb -0.04 -3.12 -0.09 0.00 -0.52 0.00 0.00 37.83 34.07 1qfm s LYS 457 CO 0.05 -0.10 1.37 0.15 -0.92 0.00 0.00 175.35 175.90 1qfm s LYS 458 N -1.49 3.93 0.00 1.68 1.02 -0.48 -3.41 119.74 120.99 1qfm s LYS 458 Ca 0.49 2.30 0.00 0.00 0.02 0.00 0.00 55.97 58.77 1qfm s LYS 458 Cb -0.37 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1qfm s LYS 458 CO 0.48 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 1qfm n GLY 459 N 0.62 0.80 3.75 -3.33 0.00 -1.26 -5.02 105.19 100.74 1qfm n GLY 459 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1qfm n GLY 459 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qfm s ILE 460 N -3.23 2.48 -0.03 -0.61 -4.36 -1.22 -4.98 121.20 109.25 1qfm s ILE 460 Ca 0.00 0.29 -0.20 0.00 -0.26 0.00 0.00 60.65 60.48 1qfm s ILE 460 Cb 0.00 -3.07 -0.05 0.00 1.25 0.00 0.00 42.46 40.59 1qfm s ILE 460 CO 0.00 -0.08 0.57 -0.54 0.24 0.00 0.00 174.94 175.13 1qfm s LYS 461 N -3.44 4.30 -1.36 0.37 1.02 -1.26 -4.98 119.74 114.39 1qfm s LYS 461 Ca 0.78 0.67 -0.11 0.00 0.02 0.00 0.00 55.97 57.33 1qfm s LYS 461 Cb -0.31 -3.36 0.11 0.00 -0.52 0.00 0.00 37.83 33.75 1qfm s LYS 461 CO 0.36 0.34 2.10 1.28 -0.92 0.00 0.00 175.35 178.51 1qfm n LEU 462 N 2.88 6.96 -0.88 3.17 4.77 -1.26 -4.54 117.00 128.10 1qfm n LEU 462 Ca -0.07 -4.48 0.08 0.00 -0.03 0.00 0.00 56.01 51.51 1qfm n LEU 462 Cb 0.51 -1.53 0.21 0.00 -2.33 0.00 0.00 43.42 40.27 1qfm n LEU 462 CO 0.43 1.38 0.67 -0.90 -1.33 0.00 0.00 177.39 177.65 1qfm n ASP 463 N 4.43 3.25 -0.26 -1.43 5.68 -1.02 -4.47 116.55 122.73 1qfm n ASP 463 Ca 0.48 -1.98 -0.03 0.00 -0.50 0.00 0.00 54.79 52.75 1qfm n ASP 463 Cb 0.36 -0.31 -0.01 0.00 -1.14 0.00 0.00 41.12 40.01 1qfm n ASP 463 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qfm n GLY 464 N 0.92 0.60 0.12 6.12 0.00 0.10 -4.90 105.19 108.15 1qfm n GLY 464 Ca 0.16 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.04 1qfm n GLY 464 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qfm n SER 465 N 0.01 0.74 -4.82 1.61 3.41 -1.26 -3.30 113.62 110.01 1qfm n SER 465 Ca -0.03 -0.56 -0.38 0.00 -0.26 0.00 0.00 58.87 57.64 1qfm n SER 465 Cb 0.23 0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 1qfm n SER 465 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1qfm s HIS 466 N -2.74 3.70 0.43 7.33 3.76 -1.24 -5.01 115.29 121.52 1qfm s HIS 466 Ca 0.18 1.00 -0.23 0.00 -0.15 0.00 0.00 55.06 55.86 1qfm s HIS 466 Cb 0.18 -2.34 -0.08 0.00 1.11 0.00 0.00 32.58 31.45 1qfm s HIS 466 CO 0.60 0.57 1.08 -1.25 -0.85 0.00 0.00 174.74 174.89 1qfm s PRO 467 N -0.82 3.98 0.09 8.40 0.04 -1.26 -4.26 135.00 141.17 1qfm s PRO 467 Ca 0.24 1.57 0.06 0.00 0.04 0.00 0.00 61.00 62.91 1qfm s PRO 467 Cb -0.17 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1qfm s PRO 467 CO 0.13 -0.32 -0.15 0.00 0.04 0.00 0.00 177.00 176.71 1qfm s ALA 468 N -1.67 1.37 -0.27 8.56 0.00 -0.70 -0.94 121.76 128.12 1qfm s ALA 468 Ca 0.61 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1qfm s ALA 468 Cb -0.23 -0.11 0.07 0.00 0.00 0.00 0.00 23.12 22.86 1qfm s ALA 468 CO 0.29 0.16 -0.02 0.12 0.00 0.00 0.00 175.76 176.31 1qfm s PHE 469 N -1.61 2.65 -0.26 0.00 5.36 0.29 -0.95 117.98 123.47 1qfm s PHE 469 Ca 0.03 -2.06 -0.08 0.00 -0.96 0.00 0.00 56.93 53.86 1qfm s PHE 469 Cb -0.08 -1.91 -0.03 0.00 -0.34 0.00 0.00 43.02 40.66 1qfm s PHE 469 CO 0.03 -0.83 0.09 -1.17 -1.46 0.00 0.00 175.22 171.88 1qfm s LEU 470 N 1.30 3.55 0.02 6.12 2.96 0.05 -0.90 118.68 131.77 1qfm s LEU 470 Ca -0.00 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 1qfm s LEU 470 Cb -0.19 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1qfm s LEU 470 CO -0.09 -0.04 -0.08 -0.47 -1.32 0.00 0.00 176.35 174.35 1qfm s TYR 471 N 1.64 2.83 0.17 5.38 5.04 0.22 -1.38 117.35 131.26 1qfm s TYR 471 Ca 0.06 -0.08 -0.21 0.00 -2.44 0.00 0.00 57.07 54.40 1qfm s TYR 471 Cb -0.15 -1.57 0.05 0.00 0.35 0.00 0.00 41.96 40.64 1qfm s TYR 471 CO 0.05 0.36 0.57 0.20 -1.34 0.00 0.00 175.55 175.40 1qfm s GLY 472 N -1.52 -0.43 0.00 8.97 0.00 -1.09 -1.89 107.32 111.35 1qfm s GLY 472 Ca 0.17 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1qfm s GLY 472 CO 0.08 0.00 0.00 2.98 0.00 0.00 0.00 173.10 176.17 1qfm n TYR 473 N -0.36 0.00 -1.50 1.90 9.36 -1.26 -4.44 117.16 120.85 1qfm n TYR 473 Ca -0.14 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.08 1qfm n TYR 473 Cb 0.64 0.03 0.00 0.00 -0.63 0.00 0.00 39.34 39.37 1qfm n TYR 473 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1qfm n GLY 474 N 2.70 0.39 0.00 2.98 0.00 -1.26 -4.20 105.19 105.79 1qfm n GLY 474 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1qfm n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qfm n GLY 475 N -1.28 1.23 2.36 -0.02 0.00 -1.08 -4.59 105.19 101.80 1qfm n GLY 475 Ca -0.00 -0.93 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 1qfm n GLY 475 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qfm n PHE 476 N -0.48 -1.05 -1.59 1.61 3.01 -1.10 -1.70 117.46 116.16 1qfm n PHE 476 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 1qfm n PHE 476 Cb 0.00 -3.04 -0.08 0.00 -0.01 0.00 0.00 39.48 36.35 1qfm n PHE 476 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1qfm n ASN 477 N -1.58 -5.27 -4.69 4.37 5.15 -0.92 -4.91 115.26 107.40 1qfm n ASN 477 Ca -0.17 0.44 -0.40 0.00 -0.60 0.00 0.00 54.58 53.85 1qfm n ASN 477 Cb 0.60 -4.42 -0.05 0.00 -0.53 0.00 0.00 39.78 35.38 1qfm n ASN 477 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1qfm s ILE 478 N -2.71 5.04 -0.17 -1.44 1.01 -0.69 -3.25 121.20 118.99 1qfm s ILE 478 Ca 0.00 1.32 -0.15 0.00 0.00 0.00 0.00 60.65 61.82 1qfm s ILE 478 Cb 0.00 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1qfm s ILE 478 CO 0.00 0.19 0.33 -0.44 0.00 0.00 0.00 174.94 175.02 1qfm s SER 479 N 0.94 6.45 -0.76 3.58 0.01 -1.26 -2.39 113.70 120.27 1qfm s SER 479 Ca 0.33 0.53 -0.18 0.00 1.31 0.00 0.00 55.95 57.95 1qfm s SER 479 Cb -0.17 -2.20 0.14 0.00 0.21 0.00 0.00 66.02 64.01 1qfm s SER 479 CO 0.14 0.06 0.85 -0.63 0.41 0.00 0.00 173.24 174.06 1qfm s ILE 480 N 0.66 5.01 0.36 1.44 -1.09 -1.26 -4.98 121.20 121.34 1qfm s ILE 480 Ca 0.18 -1.57 0.07 0.00 -2.23 0.00 0.00 60.65 57.09 1qfm s ILE 480 Cb -0.13 -4.57 -0.00 0.00 -1.58 0.00 0.00 42.46 36.17 1qfm s ILE 480 CO 0.05 -1.21 0.51 0.42 -1.23 0.00 0.00 174.94 173.48 1qfm s THR 481 N 1.99 3.77 0.21 2.92 -4.23 -1.26 -4.92 115.64 114.12 1qfm s THR 481 Ca 0.19 -0.97 -0.32 0.00 -1.18 0.00 0.00 61.69 59.41 1qfm s THR 481 Cb -0.15 -3.30 -0.14 0.00 1.34 0.00 0.00 72.50 70.25 1qfm s THR 481 CO -0.03 -0.12 1.36 -2.65 -0.54 0.00 0.00 174.62 172.64 1qfm n PRO 482 N -1.72 1.78 -3.85 3.99 -0.02 -1.26 -5.00 135.00 128.92 1qfm n PRO 482 Ca 0.02 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 62.03 1qfm n PRO 482 Cb 0.58 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.71 1qfm n PRO 482 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1qfm s ASN 483 N 0.29 0.01 -0.17 2.55 2.47 -1.26 -4.10 114.94 114.72 1qfm s ASN 483 Ca 0.71 -0.23 -0.23 0.00 0.42 0.00 0.00 52.86 53.54 1qfm s ASN 483 Cb -0.72 0.24 -0.02 0.00 -1.45 0.00 0.00 41.25 39.30 1qfm s ASN 483 CO 0.49 -0.44 0.71 -0.47 -3.72 0.00 0.00 177.10 173.67 1qfm s TYR 484 N -1.77 3.41 -0.18 0.43 5.04 -0.87 -3.69 117.35 119.72 1qfm s TYR 484 Ca -0.11 1.08 -0.02 0.00 -2.44 0.00 0.00 57.07 55.57 1qfm s TYR 484 Cb -0.05 -2.88 0.05 0.00 0.35 0.00 0.00 41.96 39.44 1qfm s TYR 484 CO 0.00 -0.17 0.02 0.45 -1.34 0.00 0.00 175.55 174.51 1qfm s SER 485 N 1.14 2.79 0.19 4.32 0.15 -1.26 -5.00 113.70 116.03 1qfm s SER 485 Ca 0.33 -0.74 -0.08 0.00 0.70 0.00 0.00 55.95 56.17 1qfm s SER 485 Cb -0.16 -0.63 0.10 0.00 -1.71 0.00 0.00 66.02 63.62 1qfm s SER 485 CO 0.12 -0.28 1.63 0.58 1.20 0.00 0.00 173.24 176.49 1qfm h VAL 486 N 6.49 1.26 -0.68 4.45 2.07 -1.96 -2.24 116.25 125.65 1qfm h VAL 486 Ca -0.17 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.15 1qfm h VAL 486 Cb 1.12 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1qfm h VAL 486 CO 0.34 0.43 0.43 0.77 0.02 0.00 0.00 177.57 179.56 1qfm h SER 487 N 0.89 0.72 0.04 0.57 4.64 -1.97 -0.83 113.55 117.62 1qfm h SER 487 Ca 0.15 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.30 1qfm h SER 487 Cb 0.63 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1qfm h SER 487 CO 0.04 0.51 -0.54 0.03 -0.87 0.00 0.00 176.83 176.00 1qfm h ARG 488 N 0.86 0.54 0.00 4.77 3.08 -1.96 -2.88 114.38 118.79 1qfm h ARG 488 Ca 0.27 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 1qfm h ARG 488 Cb -0.02 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1qfm h ARG 488 CO -0.09 0.94 -0.33 -0.07 -1.07 0.00 0.00 179.97 179.35 1qfm h LEU 489 N 0.42 0.00 -0.80 3.04 3.38 -0.87 -1.76 115.31 118.72 1qfm h LEU 489 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1qfm h LEU 489 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1qfm h LEU 489 CO 0.10 0.33 -0.27 0.40 0.09 0.00 0.00 178.44 179.09 1qfm h ILE 490 N 0.00 1.28 -0.72 1.22 2.04 -0.96 0.59 117.51 120.95 1qfm h ILE 490 Ca -0.00 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.47 1qfm h ILE 490 Cb 0.62 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1qfm h ILE 490 CO 0.04 0.44 0.32 0.15 0.00 0.00 0.00 178.15 179.10 1qfm h PHE 491 N 0.51 1.07 0.33 1.37 3.57 -1.16 0.31 116.94 122.94 1qfm h PHE 491 Ca 0.07 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1qfm h PHE 491 Cb 0.74 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1qfm h PHE 491 CO 0.03 0.81 -0.16 0.28 -2.23 0.00 0.00 178.31 177.04 1qfm h VAL 492 N 1.02 0.63 -0.06 1.41 2.07 -0.85 -1.23 116.25 119.24 1qfm h VAL 492 Ca 0.24 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1qfm h VAL 492 Cb 0.17 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1qfm h VAL 492 CO -0.03 0.11 -0.14 -0.09 0.02 0.00 0.00 177.57 177.44 1qfm h ARG 493 N -0.81 0.20 -0.00 1.57 9.65 -0.87 -2.18 114.38 121.94 1qfm h ARG 493 Ca -0.05 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 1qfm h ARG 493 Cb 0.52 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1qfm h ARG 493 CO 0.07 0.74 -0.69 0.72 2.80 0.00 0.00 179.97 183.61 1qfm n HIS 494 N -4.62 0.00 -0.22 2.20 8.25 0.11 -4.19 115.22 116.75 1qfm n HIS 494 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1qfm n HIS 494 Cb 0.38 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1qfm n HIS 494 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1qfm n MET 495 N -1.19 1.56 -2.39 -0.41 2.81 -0.74 -0.08 117.12 116.68 1qfm n MET 495 Ca 0.06 -1.06 -0.20 0.00 -1.81 0.00 0.00 57.70 54.70 1qfm n MET 495 Cb 0.35 -0.89 -0.01 0.00 -0.71 0.00 0.00 33.22 31.96 1qfm n MET 495 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qfm n GLY 496 N -0.29 -0.46 3.95 3.03 0.00 -0.84 -4.79 105.19 105.78 1qfm n GLY 496 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1qfm n GLY 496 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qfm s GLY 497 N -2.06 1.73 -0.12 -0.02 0.00 -0.54 -4.29 107.32 102.02 1qfm s GLY 497 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.65 1qfm s GLY 497 CO 0.00 -0.76 -0.17 0.14 0.00 0.00 0.00 173.10 172.31 1qfm s VAL 498 N -2.95 2.74 -0.10 1.40 1.01 -0.12 -4.33 120.40 118.05 1qfm s VAL 498 Ca 0.57 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 1qfm s VAL 498 Cb -0.10 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1qfm s VAL 498 CO 0.41 0.54 0.14 -0.22 0.00 0.00 0.00 175.10 175.97 1qfm s LEU 499 N 0.33 4.34 -0.05 3.92 2.96 -0.24 -0.55 118.68 129.39 1qfm s LEU 499 Ca -0.13 0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 54.17 1qfm s LEU 499 Cb -0.16 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.41 1qfm s LEU 499 CO 0.07 0.39 0.13 0.00 -1.32 0.00 0.00 176.35 175.62 1qfm s ALA 500 N -1.06 -0.32 -0.13 5.97 0.00 -0.08 -0.51 121.76 125.62 1qfm s ALA 500 Ca 0.17 0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.50 1qfm s ALA 500 Cb -0.12 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.81 1qfm s ALA 500 CO 0.06 -0.06 -0.07 0.08 0.00 0.00 0.00 175.76 175.77 1qfm s VAL 501 N 0.10 1.05 -0.24 0.00 1.01 -0.34 -0.61 120.40 121.37 1qfm s VAL 501 Ca -0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 1qfm s VAL 501 Cb -0.01 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1qfm s VAL 501 CO 0.00 0.30 0.14 0.00 0.00 0.00 0.00 175.10 175.54 1qfm s ALA 502 N 1.69 3.55 -1.38 5.51 0.00 -0.79 -1.09 121.76 129.24 1qfm s ALA 502 Ca 0.04 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 1qfm s ALA 502 Cb -0.13 -2.27 0.08 0.00 0.00 0.00 0.00 23.12 20.79 1qfm s ALA 502 CO -0.08 -0.20 2.47 0.09 0.00 0.00 0.00 175.76 178.04 1qfm n ASN 503 N 4.30 7.94 -4.70 0.00 4.13 0.19 -4.61 115.26 122.50 1qfm n ASN 503 Ca -0.15 -3.02 -0.31 0.00 1.68 0.00 0.00 54.58 52.78 1qfm n ASN 503 Cb 0.52 -1.41 0.15 0.00 -1.54 0.00 0.00 39.78 37.49 1qfm n ASN 503 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1qfm s ILE 504 N -0.30 2.42 0.92 2.41 -4.36 -1.26 -4.44 121.20 116.58 1qfm s ILE 504 Ca 0.56 0.14 -0.10 0.00 -0.26 0.00 0.00 60.65 60.99 1qfm s ILE 504 Cb 0.18 -2.30 0.15 0.00 1.25 0.00 0.00 42.46 41.74 1qfm s ILE 504 CO -0.08 -0.18 1.14 -0.13 0.24 0.00 0.00 174.94 175.93 1qfm s ARG 505 N -4.72 0.97 0.00 0.37 0.52 -1.26 -3.21 118.95 111.62 1qfm s ARG 505 Ca 0.65 1.52 0.00 0.00 -0.52 0.00 0.00 55.73 57.38 1qfm s ARG 505 Cb -0.21 -1.72 0.00 0.00 0.52 0.00 0.00 34.95 33.53 1qfm s ARG 505 CO 0.58 -2.65 0.00 0.41 0.02 0.00 0.00 175.30 173.65 1qfm n GLY 506 N 0.20 2.78 1.59 -3.53 0.00 -0.31 -4.34 105.19 101.56 1qfm n GLY 506 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1qfm n GLY 506 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qfm n GLY 507 N -0.29 -1.48 0.82 -0.02 0.00 -1.20 -2.16 105.19 100.87 1qfm n GLY 507 Ca 0.00 -1.65 0.07 0.00 0.00 0.00 0.00 46.02 44.44 1qfm n GLY 507 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qfm n GLY 508 N 1.09 3.28 0.36 -0.02 0.00 -1.00 -1.80 105.19 107.10 1qfm n GLY 508 Ca 0.07 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.50 1qfm n GLY 508 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qfm h GLU 509 N 2.11 0.84 -0.98 1.61 3.07 -1.87 -1.60 114.58 117.76 1qfm h GLU 509 Ca 0.00 -0.05 -0.56 0.00 -0.50 0.00 0.00 59.36 58.25 1qfm h GLU 509 Cb 1.08 -0.19 -0.43 0.00 -0.84 0.00 0.00 28.75 28.38 1qfm h GLU 509 CO 0.11 0.56 -0.80 0.66 -1.40 0.00 0.00 179.01 178.14 1qfm n TYR 510 N -4.63 2.92 -4.29 4.33 4.02 -1.26 -4.72 117.16 113.53 1qfm n TYR 510 Ca 0.19 -2.50 0.00 0.00 -0.01 0.00 0.00 57.90 55.59 1qfm n TYR 510 Cb 0.43 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 1qfm n TYR 510 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qfm n GLY 511 N -0.63 -1.63 0.27 2.72 0.00 -0.60 -3.46 105.19 101.85 1qfm n GLY 511 Ca 0.42 -1.28 0.10 0.00 0.00 0.00 0.00 46.02 45.26 1qfm n GLY 511 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qfm h GLU 512 N 0.00 0.00 -0.03 1.61 4.57 -1.40 -0.19 114.58 119.13 1qfm h GLU 512 Ca 0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 1qfm h GLU 512 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1qfm h GLU 512 CO 0.00 0.00 -0.49 1.79 -1.18 0.00 0.00 179.01 179.14 1qfm h THR 513 N 0.00 1.35 -0.35 0.32 1.35 -1.82 0.44 112.91 114.20 1qfm h THR 513 Ca -0.00 -1.69 -0.12 0.00 -0.55 0.00 0.00 66.41 64.05 1qfm h THR 513 Cb 0.01 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1qfm h THR 513 CO 0.00 0.49 -0.24 -0.25 -0.25 0.00 0.00 175.52 175.27 1qfm h TRP 514 N 0.07 0.92 0.25 4.73 2.91 -1.07 -1.88 115.95 121.88 1qfm h TRP 514 Ca 0.00 -0.25 -0.01 0.00 1.13 0.00 0.00 58.89 59.76 1qfm h TRP 514 Cb 0.89 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.34 1qfm h TRP 514 CO 0.01 1.01 -0.12 1.25 -1.03 0.00 0.00 178.44 179.56 1qfm h HIS 515 N 0.57 -0.31 0.00 2.65 2.76 -0.85 -0.73 115.15 119.23 1qfm h HIS 515 Ca 0.07 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1qfm h HIS 515 Cb 0.81 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.87 1qfm h HIS 515 CO 0.06 -0.15 -0.00 0.87 -1.30 0.00 0.00 177.93 177.42 1qfm h LYS 516 N -0.40 0.00 0.00 5.26 1.57 -0.89 -1.25 116.57 120.86 1qfm h LYS 516 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1qfm h LYS 516 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1qfm h LYS 516 CO 0.06 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.35 1qfm n GLY 517 N -1.29 -0.82 2.35 3.86 0.00 -0.71 -3.43 105.19 105.16 1qfm n GLY 517 Ca -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 1qfm n GLY 517 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qfm n GLY 518 N 0.40 2.00 3.18 -0.02 0.00 -0.47 -4.62 105.19 105.66 1qfm n GLY 518 Ca 0.13 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 1qfm n GLY 518 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qfm s ILE 519 N -2.81 0.10 0.00 -0.61 -4.36 -1.22 -4.43 121.20 107.86 1qfm s ILE 519 Ca 0.31 -1.80 0.00 0.00 -0.26 0.00 0.00 60.65 58.90 1qfm s ILE 519 Cb 0.35 -1.97 0.00 0.00 1.25 0.00 0.00 42.46 42.08 1qfm s ILE 519 CO -0.07 -0.46 0.00 0.18 0.24 0.00 0.00 174.94 174.83 1qfm n LEU 520 N -0.11 0.00 0.29 0.37 4.77 0.73 -0.63 117.00 122.42 1qfm n LEU 520 Ca -0.06 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.08 1qfm n LEU 520 Cb 0.63 0.00 0.90 0.00 -2.33 0.00 0.00 43.42 42.63 1qfm n LEU 520 CO 0.29 0.00 1.08 0.00 -1.33 0.00 0.00 177.39 177.43 1qfm h ALA 521 N -0.59 1.30 -0.63 -1.18 0.00 -1.91 -2.43 119.26 113.82 1qfm h ALA 521 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qfm h ALA 521 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1qfm h ALA 521 CO 0.00 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.39 1qfm n ASN 522 N -3.57 4.43 -0.09 0.00 3.02 0.20 -4.49 115.26 114.76 1qfm n ASN 522 Ca -0.02 -2.36 0.11 0.00 -0.03 0.00 0.00 54.58 52.28 1qfm n ASN 522 Cb 0.15 -0.55 0.48 0.00 -0.61 0.00 0.00 39.78 39.24 1qfm n ASN 522 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1qfm h LYS 523 N 3.94 0.45 -0.09 3.52 1.63 -1.34 -0.51 116.57 124.17 1qfm h LYS 523 Ca 0.00 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1qfm h LYS 523 Cb 1.32 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1qfm h LYS 523 CO 0.19 0.30 0.12 0.37 -3.45 0.00 0.00 179.45 176.98 1qfm h GLN 524 N 0.46 0.00 -0.78 1.90 5.75 -1.85 -0.66 115.11 119.94 1qfm h GLN 524 Ca 0.28 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.83 1qfm h GLN 524 Cb 0.47 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.98 1qfm h GLN 524 CO -0.08 0.00 0.51 -0.91 -2.65 0.00 0.00 178.83 175.70 1qfm h ASN 525 N 0.00 0.77 0.05 -0.69 2.35 -1.35 -0.43 115.58 116.28 1qfm h ASN 525 Ca 0.04 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1qfm h ASN 525 Cb 0.28 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1qfm h ASN 525 CO -0.00 0.51 -0.05 0.00 -1.65 0.00 0.00 177.43 176.24 1qfm h PHE 527 N -0.11 1.12 -0.28 0.00 0.05 -1.51 -1.16 116.94 115.05 1qfm h PHE 527 Ca 0.00 -0.13 -0.02 0.00 3.82 0.00 0.00 57.97 61.64 1qfm h PHE 527 Cb 0.11 -0.32 -0.01 0.00 2.00 0.00 0.00 35.95 37.73 1qfm h PHE 527 CO -0.10 0.92 0.08 -0.44 -0.18 0.00 0.00 178.31 178.59 1qfm h ASP 528 N 1.00 0.41 -0.41 2.17 3.32 -0.93 -0.30 116.42 121.68 1qfm h ASP 528 Ca 0.21 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.10 1qfm h ASP 528 Cb 0.36 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 1qfm h ASP 528 CO 0.00 0.51 0.14 0.44 -1.72 0.00 0.00 179.24 178.61 1qfm h ASP 529 N 0.29 0.14 -0.42 6.45 3.32 -0.53 0.18 116.42 125.84 1qfm h ASP 529 Ca 0.09 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1qfm h ASP 529 Cb 0.25 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1qfm h ASP 529 CO -0.00 0.11 0.01 0.15 -1.72 0.00 0.00 179.24 177.80 1qfm h PHE 530 N 0.30 0.79 -0.62 4.55 3.57 -0.99 -1.26 116.94 123.27 1qfm h PHE 530 Ca 0.19 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1qfm h PHE 530 Cb 0.18 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1qfm h PHE 530 CO -0.16 0.79 0.36 1.96 -2.23 0.00 0.00 178.31 179.03 1qfm h GLN 531 N 0.57 0.84 0.00 1.11 4.20 -0.79 -1.39 115.11 119.64 1qfm h GLN 531 Ca 0.12 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1qfm h GLN 531 Cb 0.46 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1qfm h GLN 531 CO 0.02 0.60 -0.33 0.00 -0.67 0.00 0.00 178.83 178.44 1qfm h ALA 533 N 1.67 0.49 -0.33 0.00 0.00 -0.16 -0.59 119.26 120.34 1qfm h ALA 533 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1qfm h ALA 533 Cb 0.80 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1qfm h ALA 533 CO 0.04 0.37 0.18 0.00 0.00 0.00 0.00 179.25 179.85 1qfm h ALA 534 N 0.80 0.42 -0.82 0.00 0.00 -0.99 -1.59 119.26 117.07 1qfm h ALA 534 Ca 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1qfm h ALA 534 Cb 0.64 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1qfm h ALA 534 CO 0.04 -0.05 0.55 0.93 0.00 0.00 0.00 179.25 180.71 1qfm h GLU 535 N 0.41 1.07 -0.16 0.00 5.08 -1.00 -1.79 114.58 118.19 1qfm h GLU 535 Ca 0.12 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1qfm h GLU 535 Cb 0.05 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1qfm h GLU 535 CO -0.02 0.71 0.06 -0.92 -1.00 0.00 0.00 179.01 177.84 1qfm h TYR 536 N 1.11 0.24 -0.68 4.33 3.20 -0.70 0.85 116.97 125.32 1qfm h TYR 536 Ca 0.31 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.19 1qfm h TYR 536 Cb -0.11 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.05 1qfm h TYR 536 CO -0.00 0.33 0.45 -0.07 -1.64 0.00 0.00 178.16 177.22 1qfm h LEU 537 N 0.09 0.70 -0.00 2.82 3.38 -0.86 -0.11 115.31 121.32 1qfm h LEU 537 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1qfm h LEU 537 Cb 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1qfm h LEU 537 CO -0.00 0.48 -0.06 0.40 0.09 0.00 0.00 178.44 179.35 1qfm h ILE 538 N 0.81 1.59 -0.37 1.22 2.04 -1.12 0.16 117.51 121.84 1qfm h ILE 538 Ca 0.27 -1.82 -0.05 0.00 1.00 0.00 0.00 64.86 64.27 1qfm h ILE 538 Cb 0.07 2.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 1qfm h ILE 538 CO -0.08 0.48 0.02 0.07 0.00 0.00 0.00 178.15 178.65 1qfm h LYS 539 N -0.69 0.58 -0.00 2.37 2.10 -0.65 -2.03 116.57 118.25 1qfm h LYS 539 Ca -0.01 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1qfm h LYS 539 Cb 0.82 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1qfm h LYS 539 CO 0.01 0.58 -0.01 0.39 -2.00 0.00 0.00 179.45 178.43 1qfm n GLU 540 N -4.28 1.00 -0.78 0.07 -0.58 -0.07 -4.92 120.64 111.08 1qfm n GLU 540 Ca 0.02 -0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1qfm n GLU 540 Cb 0.24 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1qfm n GLU 540 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qfm n GLY 541 N 1.08 0.58 0.13 0.62 0.00 -0.76 -4.85 105.19 101.98 1qfm n GLY 541 Ca 0.21 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 1qfm n GLY 541 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1qfm h TYR 542 N 0.00 0.26 -2.02 1.61 -1.99 -1.19 0.30 116.97 113.93 1qfm h TYR 542 Ca 0.00 -0.13 -0.00 0.00 2.00 0.00 0.00 58.73 60.59 1qfm h TYR 542 Cb 0.00 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 38.70 1qfm h TYR 542 CO 0.00 0.92 0.00 -2.37 -0.00 0.00 0.00 178.16 176.71 1qfm n THR 543 N -3.68 0.00 -4.02 -2.88 5.66 -1.08 -3.73 114.28 104.55 1qfm n THR 543 Ca -0.03 -0.02 -0.08 0.00 -3.05 0.00 0.00 64.05 60.87 1qfm n THR 543 Cb 0.77 0.02 -0.10 0.00 -1.55 0.00 0.00 70.33 69.47 1qfm n THR 543 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1qfm s SER 544 N -1.04 0.35 0.24 1.09 0.01 -1.21 -4.32 113.70 108.81 1qfm s SER 544 Ca 0.00 -0.79 -0.08 0.00 1.31 0.00 0.00 55.95 56.39 1qfm s SER 544 Cb -0.00 0.20 0.40 0.00 0.21 0.00 0.00 66.02 66.83 1qfm s SER 544 CO 0.00 -0.54 1.64 -0.65 0.41 0.00 0.00 173.24 174.10 1qfm h PRO 545 N 3.47 0.10 0.00 12.44 0.11 -1.90 0.54 132.00 146.77 1qfm h PRO 545 Ca -0.33 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1qfm h PRO 545 Cb 1.17 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1qfm h PRO 545 CO 0.58 0.07 -0.02 1.57 -0.21 0.00 0.00 178.00 179.98 1qfm h LYS 546 N 0.10 0.00 -0.14 1.05 2.10 -1.88 -1.10 116.57 116.70 1qfm h LYS 546 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 1qfm h LYS 546 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 1qfm h LYS 546 CO -0.64 0.02 0.00 0.54 -2.00 0.00 0.00 179.45 177.38 1qfm n ARG 547 N -3.20 1.87 -3.42 0.07 1.74 0.13 -4.51 116.66 109.33 1qfm n ARG 547 Ca -0.01 -1.80 -0.38 0.00 -0.77 0.00 0.00 57.85 54.89 1qfm n ARG 547 Cb 0.19 -1.38 -0.07 0.00 -1.02 0.00 0.00 32.46 30.18 1qfm n ARG 547 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1qfm s LEU 548 N -1.47 4.19 -0.09 0.55 2.96 -0.86 -1.72 118.68 122.25 1qfm s LEU 548 Ca 0.26 0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 1qfm s LEU 548 Cb 0.17 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 1qfm s LEU 548 CO 0.24 -0.02 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.25 1qfm s THR 549 N 1.00 3.26 0.03 3.68 2.01 -0.13 -0.38 115.64 125.10 1qfm s THR 549 Ca 0.19 -0.62 0.06 0.00 0.31 0.00 0.00 61.69 61.63 1qfm s THR 549 Cb -0.14 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1qfm s THR 549 CO 0.07 0.56 -0.17 0.27 -0.69 0.00 0.00 174.62 174.67 1qfm s ILE 550 N -0.28 2.89 -0.01 1.82 -4.36 -0.43 -0.77 121.20 120.06 1qfm s ILE 550 Ca 0.03 -1.09 -0.04 0.00 -0.26 0.00 0.00 60.65 59.29 1qfm s ILE 550 Cb -0.13 -2.21 -0.00 0.00 1.25 0.00 0.00 42.46 41.37 1qfm s ILE 550 CO 0.03 0.38 0.08 0.21 0.24 0.00 0.00 174.94 175.87 1qfm s ASN 551 N -1.34 0.04 -0.01 4.36 3.04 -0.48 -1.33 114.94 119.22 1qfm s ASN 551 Ca 0.14 -0.15 -0.28 0.00 0.04 0.00 0.00 52.86 52.61 1qfm s ASN 551 Cb -0.11 0.18 0.10 0.00 -1.54 0.00 0.00 41.25 39.88 1qfm s ASN 551 CO 0.05 -0.24 0.86 -0.83 -3.04 0.00 0.00 177.10 173.90 1qfm s GLY 552 N -0.93 -0.46 0.02 1.21 0.00 -1.17 -2.69 107.32 103.29 1qfm s GLY 552 Ca -0.10 1.13 0.04 0.00 0.00 0.00 0.00 44.72 45.79 1qfm s GLY 552 CO 0.00 0.46 -0.13 -0.32 0.00 0.00 0.00 173.10 173.12 1qfm s GLY 553 N -2.22 0.67 0.00 0.20 0.00 -1.25 -1.39 107.32 103.32 1qfm s GLY 553 Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.08 1qfm s GLY 553 CO -0.07 -0.62 0.00 -1.26 0.00 0.00 0.00 173.10 171.16 1qfm n SER 554 N 2.30 0.00 0.27 1.64 2.88 0.32 -0.46 113.62 120.57 1qfm n SER 554 Ca -0.16 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.48 1qfm n SER 554 Cb 0.55 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.74 1qfm n SER 554 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1qfm h ASN 555 N 0.00 0.00 1.36 -3.46 -0.73 -1.90 0.12 115.58 110.96 1qfm h ASN 555 Ca 0.00 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.12 1qfm h ASN 555 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 1qfm h ASN 555 CO 0.00 0.04 -0.23 1.23 -0.37 0.00 0.00 177.43 178.10 1qfm h GLY 556 N 0.17 0.00 1.14 1.57 0.00 -0.93 -1.87 103.07 103.14 1qfm h GLY 556 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1qfm h GLY 556 CO 0.01 0.00 -0.62 -1.33 0.00 0.00 0.00 176.54 174.60 1qfm h GLY 557 N 2.95 0.91 0.99 4.60 0.00 -0.81 -2.20 103.07 109.51 1qfm h GLY 557 Ca -0.00 -1.15 0.00 0.00 0.00 0.00 0.00 47.33 46.18 1qfm h GLY 557 CO 0.03 1.02 0.27 -2.00 0.00 0.00 0.00 176.54 175.86 1qfm h LEU 558 N 0.59 0.50 0.01 3.11 5.85 -1.18 -1.73 115.31 122.46 1qfm h LEU 558 Ca -0.01 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1qfm h LEU 558 Cb 1.24 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 1qfm h LEU 558 CO 0.13 0.39 -0.37 0.25 -0.34 0.00 0.00 178.44 178.51 1qfm h LEU 559 N 0.57 -1.10 -0.82 2.25 5.85 -1.16 -0.87 115.31 120.03 1qfm h LEU 559 Ca 0.15 0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.89 1qfm h LEU 559 Cb -0.03 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1qfm h LEU 559 CO -0.03 -0.42 -0.58 -0.37 -0.34 0.00 0.00 178.44 176.70 1qfm h VAL 560 N -0.53 1.41 -0.37 1.05 -1.51 -1.36 -1.85 116.25 113.10 1qfm h VAL 560 Ca 0.05 -1.98 -0.08 0.00 -1.23 0.00 0.00 66.70 63.47 1qfm h VAL 560 Cb 0.61 2.06 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 1qfm h VAL 560 CO -0.29 0.57 -0.07 0.00 -1.23 0.00 0.00 177.57 176.55 1qfm h ALA 561 N 1.40 0.50 -0.70 5.19 0.00 -1.09 -1.31 119.26 123.26 1qfm h ALA 561 Ca -0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1qfm h ALA 561 Cb 1.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1qfm h ALA 561 CO 0.08 0.34 0.25 1.15 0.00 0.00 0.00 179.25 181.07 1qfm h THR 562 N 0.50 1.25 -0.24 0.00 2.02 -1.06 -2.45 112.91 112.93 1qfm h THR 562 Ca 0.10 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.40 1qfm h THR 562 Cb 0.57 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1qfm h THR 562 CO 0.03 0.32 -0.11 0.00 0.37 0.00 0.00 175.52 176.14 1qfm h ALA 564 N 1.52 0.69 -0.27 0.00 0.00 -0.81 0.16 119.26 120.55 1qfm h ALA 564 Ca 0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1qfm h ALA 564 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1qfm h ALA 564 CO 0.02 0.36 -0.14 -0.91 0.00 0.00 0.00 179.25 178.58 1qfm h ASN 565 N 0.73 0.60 -0.13 0.00 2.35 -0.99 -2.51 115.58 115.63 1qfm h ASN 565 Ca 0.17 -0.41 -0.23 0.00 -0.55 0.00 0.00 56.30 55.28 1qfm h ASN 565 Cb 0.29 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.50 1qfm h ASN 565 CO -0.00 0.88 -0.80 1.56 -1.65 0.00 0.00 177.43 177.42 1qfm h GLN 566 N 0.32 0.79 -2.05 0.81 4.20 -0.82 -3.39 115.11 114.96 1qfm h GLN 566 Ca 0.06 -0.66 -0.53 0.00 0.06 0.00 0.00 58.65 57.58 1qfm h GLN 566 Cb 0.66 0.14 -0.40 0.00 0.30 0.00 0.00 27.48 28.18 1qfm h GLN 566 CO 0.04 1.26 -1.04 0.54 -0.67 0.00 0.00 178.83 178.97 1qfm n ARG 567 N -3.93 1.32 0.31 1.46 5.12 0.54 -4.93 116.66 116.54 1qfm n ARG 567 Ca -0.08 -3.64 0.18 0.00 -1.93 0.00 0.00 57.85 52.38 1qfm n ARG 567 Cb 0.76 -1.65 1.02 0.00 -1.16 0.00 0.00 32.46 31.43 1qfm n ARG 567 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1qfm h PRO 568 N 3.48 0.00 0.00 5.56 0.13 -1.58 -1.15 132.00 138.44 1qfm h PRO 568 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1qfm h PRO 568 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1qfm h PRO 568 CO 0.56 0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 177.94 1qfm n ASP 569 N -3.54 0.61 0.07 1.44 5.75 -1.26 -3.44 116.55 116.18 1qfm n ASP 569 Ca -0.03 0.61 0.12 0.00 -0.01 0.00 0.00 54.79 55.48 1qfm n ASP 569 Cb 0.09 -0.75 0.04 0.00 -1.03 0.00 0.00 41.12 39.47 1qfm n ASP 569 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1qfm n LEU 570 N -2.13 0.72 -4.24 -2.12 7.94 -0.43 -4.88 117.00 111.87 1qfm n LEU 570 Ca 0.04 0.22 -0.23 0.00 -1.11 0.00 0.00 56.01 54.92 1qfm n LEU 570 Cb 0.30 -0.10 -0.13 0.00 0.53 0.00 0.00 43.42 44.02 1qfm n LEU 570 CO 0.23 -0.10 -0.50 -0.36 -1.11 0.00 0.00 177.39 175.55 1qfm s PHE 571 N -3.29 1.66 -0.14 1.96 0.40 -1.22 -4.51 117.98 112.84 1qfm s PHE 571 Ca 0.02 -0.39 0.14 0.00 -0.60 0.00 0.00 56.93 56.10 1qfm s PHE 571 Cb 0.12 -0.95 -0.24 0.00 0.51 0.00 0.00 43.02 42.45 1qfm s PHE 571 CO 0.78 0.12 0.30 0.41 0.70 0.00 0.00 175.22 177.52 1qfm n GLY 572 N 1.56 -0.95 3.15 4.36 0.00 0.48 -4.47 105.19 109.33 1qfm n GLY 572 Ca -0.18 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 1qfm n GLY 572 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfm s VAL 574 N -0.53 0.43 -0.26 0.00 1.01 0.43 -1.32 120.40 120.17 1qfm s VAL 574 Ca -0.06 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1qfm s VAL 574 Cb -0.04 -0.52 0.06 0.00 0.00 0.00 0.00 36.38 35.88 1qfm s VAL 574 CO 0.01 0.23 -0.10 -0.63 0.00 0.00 0.00 175.10 174.61 1qfm s ILE 575 N 1.35 2.11 -0.29 2.22 1.01 -0.44 -0.88 121.20 126.28 1qfm s ILE 575 Ca -0.04 -1.60 -0.07 0.00 0.00 0.00 0.00 60.65 58.93 1qfm s ILE 575 Cb -0.13 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1qfm s ILE 575 CO -0.02 -0.04 0.09 0.00 0.00 0.00 0.00 174.94 174.97 1qfm s ALA 576 N 1.13 3.11 -0.15 9.38 0.00 -0.42 -3.06 121.76 131.75 1qfm s ALA 576 Ca -0.09 -1.39 -0.10 0.00 0.00 0.00 0.00 51.96 50.38 1qfm s ALA 576 Cb -0.20 -2.17 -0.05 0.00 0.00 0.00 0.00 23.12 20.71 1qfm s ALA 576 CO -0.05 -0.84 0.19 -0.65 0.00 0.00 0.00 175.76 174.40 1qfm s GLN 577 N 1.54 3.92 -0.93 0.00 -0.21 -0.48 -1.48 119.66 122.02 1qfm s GLN 577 Ca 0.04 -0.08 -0.01 0.00 0.02 0.00 0.00 55.36 55.32 1qfm s GLN 577 Cb -0.17 -3.33 0.00 0.00 1.00 0.00 0.00 33.01 30.52 1qfm s GLN 577 CO 0.03 0.48 0.03 1.33 -2.12 0.00 0.00 175.29 175.04 1qfm n VAL 578 N 2.87 -0.67 -3.04 1.09 0.24 0.84 -0.52 118.33 119.13 1qfm n VAL 578 Ca -0.16 -0.31 -0.31 0.00 -2.04 0.00 0.00 64.34 61.51 1qfm n VAL 578 Cb 0.53 -0.65 -0.05 0.00 -1.47 0.00 0.00 33.84 32.20 1qfm n VAL 578 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1qfm s GLY 579 N -3.86 2.17 -0.41 7.63 0.00 -1.26 -2.67 107.32 108.92 1qfm s GLY 579 Ca 0.02 -0.08 -0.24 0.00 0.00 0.00 0.00 44.72 44.42 1qfm s GLY 579 CO 0.61 0.11 0.83 0.14 0.00 0.00 0.00 173.10 174.79 1qfm s VAL 580 N -2.14 4.63 -0.11 1.40 1.01 -1.20 -4.44 120.40 119.55 1qfm s VAL 580 Ca 0.53 0.75 0.08 0.00 0.00 0.00 0.00 61.98 63.33 1qfm s VAL 580 Cb -0.10 -4.31 -0.13 0.00 0.00 0.00 0.00 36.38 31.85 1qfm s VAL 580 CO 0.23 -0.62 0.01 0.23 0.00 0.00 0.00 175.10 174.95 1qfm n MET 581 N 6.71 1.86 -3.18 2.72 2.81 -1.26 -4.17 117.12 122.60 1qfm n MET 581 Ca 0.04 0.01 -0.45 0.00 -1.81 0.00 0.00 57.70 55.49 1qfm n MET 581 Cb 0.48 -1.28 -0.04 0.00 -0.71 0.00 0.00 33.22 31.68 1qfm n MET 581 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1qfm s ASP 582 N -4.54 6.42 0.00 7.83 -1.08 -1.26 -1.56 116.67 122.48 1qfm s ASP 582 Ca -0.08 -1.95 0.26 0.00 -0.52 0.00 0.00 52.55 50.26 1qfm s ASP 582 Cb 0.04 -2.28 1.25 0.00 -1.46 0.00 0.00 42.92 40.47 1qfm s ASP 582 CO 0.42 -0.91 1.87 0.23 0.52 0.00 0.00 175.17 177.30 1qfm n MET 583 N 5.51 0.23 0.06 4.34 2.81 -1.26 -1.93 117.12 126.88 1qfm n MET 583 Ca 0.02 0.04 0.06 0.00 -1.81 0.00 0.00 57.70 56.01 1qfm n MET 583 Cb 0.44 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.41 1qfm n MET 583 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1qfm n LEU 584 N -1.37 0.81 0.00 4.03 4.77 -1.26 -4.45 117.00 119.53 1qfm n LEU 584 Ca 0.10 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1qfm n LEU 584 Cb 0.25 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1qfm n LEU 584 CO 0.22 -0.02 0.27 0.29 -1.33 0.00 0.00 177.39 176.82 1qfm n LYS 585 N -2.76 -0.47 -0.22 3.23 5.02 -1.17 -4.67 118.16 117.12 1qfm n LYS 585 Ca -0.05 -0.59 0.19 0.00 -2.02 0.00 0.00 58.31 55.84 1qfm n LYS 585 Cb 0.70 -0.97 0.53 0.00 -0.02 0.00 0.00 35.03 35.26 1qfm n LYS 585 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1qfm h PHE 586 N 0.00 0.48 0.00 2.13 -5.15 -1.60 -1.32 116.94 111.48 1qfm h PHE 586 Ca 0.00 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.78 1qfm h PHE 586 Cb 0.09 -0.15 0.00 0.00 0.22 0.00 0.00 35.95 36.11 1qfm h PHE 586 CO 0.00 0.14 0.00 -2.39 -2.00 0.00 0.00 178.31 174.06 1qfm n HIS 587 N -4.49 0.64 0.22 6.09 1.44 -1.26 -3.26 115.22 114.61 1qfm n HIS 587 Ca 0.18 0.25 0.12 0.00 -2.01 0.00 0.00 57.72 56.27 1qfm n HIS 587 Cb 0.69 -0.90 0.22 0.00 0.12 0.00 0.00 29.99 30.11 1qfm n HIS 587 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1qfm h LYS 588 N 0.00 0.00 -6.34 -1.40 1.57 -1.57 -3.24 116.57 105.59 1qfm h LYS 588 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1qfm h LYS 588 Cb 0.35 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.53 1qfm h LYS 588 CO 0.00 0.01 -0.67 0.71 -0.57 0.00 0.00 179.45 178.93 1qfm s TYR 589 N -3.25 2.96 0.00 -1.35 1.51 -1.20 -4.16 117.35 111.85 1qfm s TYR 589 Ca 0.06 -0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.10 1qfm s TYR 589 Cb 0.05 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.35 1qfm s TYR 589 CO 0.66 0.46 0.00 0.25 -1.11 0.00 0.00 175.55 175.81 1qfm n THR 590 N 0.82 0.00 -0.21 -0.71 -2.24 -0.05 -0.26 114.28 111.62 1qfm n THR 590 Ca -0.12 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 1qfm n THR 590 Cb 0.52 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 69.04 1qfm n THR 590 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qfm n ILE 591 N 0.00 0.89 0.26 2.28 0.13 -1.26 -0.97 119.36 120.69 1qfm n ILE 591 Ca 0.00 -0.94 0.18 0.00 -1.10 0.00 0.00 62.75 60.88 1qfm n ILE 591 Cb 0.00 0.61 0.92 0.00 -0.84 0.00 0.00 39.64 40.33 1qfm n ILE 591 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1qfm h GLY 592 N 4.14 0.00 2.00 4.50 0.00 -0.82 -0.96 103.07 111.93 1qfm h GLY 592 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qfm h GLY 592 CO 0.00 0.00 -0.00 1.12 0.00 0.00 0.00 176.54 177.66 1qfm h HIS 593 N 0.00 0.00 0.00 5.60 2.07 -1.74 -1.81 115.15 119.27 1qfm h HIS 593 Ca 0.05 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.55 1qfm h HIS 593 Cb 0.37 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.35 1qfm h HIS 593 CO 0.00 0.00 -0.07 0.00 -3.07 0.00 0.00 177.93 174.79 1qfm h ALA 594 N 2.00 1.00 -0.00 6.11 0.00 -1.52 -3.21 119.26 123.63 1qfm h ALA 594 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1qfm h ALA 594 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1qfm h ALA 594 CO 0.00 0.09 -0.01 0.91 0.00 0.00 0.00 179.25 180.23 1qfm n TRP 595 N -3.17 0.00 0.31 0.00 8.01 -0.68 -3.85 117.44 118.06 1qfm n TRP 595 Ca 0.01 0.00 0.20 0.00 -1.31 0.00 0.00 57.50 56.40 1qfm n TRP 595 Cb 0.39 -0.29 1.06 0.00 -2.01 0.00 0.00 31.31 30.46 1qfm n TRP 595 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 1qfm h THR 596 N 0.05 0.00 0.00 -0.99 1.35 -1.72 -0.93 112.91 110.66 1qfm h THR 596 Ca 0.00 -0.06 -0.07 0.00 -0.55 0.00 0.00 66.41 65.73 1qfm h THR 596 Cb 0.30 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 1qfm h THR 596 CO 0.00 0.00 -0.35 0.71 -0.25 0.00 0.00 175.52 175.63 1qfm h THR 597 N 0.00 0.92 0.04 6.82 1.35 -1.86 0.15 112.91 120.33 1qfm h THR 597 Ca 0.00 -1.37 -0.36 0.00 -0.55 0.00 0.00 66.41 64.13 1qfm h THR 597 Cb 0.06 1.82 -0.05 0.00 -1.73 0.00 0.00 68.15 68.25 1qfm h THR 597 CO 0.00 0.34 -2.20 0.47 -0.25 0.00 0.00 175.52 173.88 1qfm n ASP 598 N -3.65 1.50 -0.11 5.36 9.92 -0.43 -4.74 116.55 124.41 1qfm n ASP 598 Ca -0.01 0.08 -0.12 0.00 -0.53 0.00 0.00 54.79 54.21 1qfm n ASP 598 Cb 0.46 -0.24 -0.15 0.00 -0.64 0.00 0.00 41.12 40.55 1qfm n ASP 598 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1qfm n TYR 599 N -3.20 0.00 0.00 1.24 0.53 -0.75 -0.20 117.16 114.78 1qfm n TYR 599 Ca -0.35 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.53 1qfm n TYR 599 Cb 1.05 -0.98 0.00 0.00 -1.03 0.00 0.00 39.34 38.38 1qfm n TYR 599 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1qfm n GLY 600 N 1.89 1.05 0.05 2.72 0.00 0.52 -4.55 105.19 106.87 1qfm n GLY 600 Ca -0.35 -1.53 0.03 0.00 0.00 0.00 0.00 46.02 44.17 1qfm n GLY 600 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qfm n SER 602 N 0.00 0.53 0.25 1.61 3.41 -1.26 -4.45 113.62 113.71 1qfm n SER 602 Ca 0.00 -0.77 0.13 0.00 -0.26 0.00 0.00 58.87 57.97 1qfm n SER 602 Cb 0.00 0.85 0.64 0.00 -0.26 0.00 0.00 64.21 65.44 1qfm n SER 602 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1qfm h ASP 603 N 0.24 0.00 -3.21 4.04 3.32 -1.98 -3.41 116.42 115.42 1qfm h ASP 603 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 1qfm h ASP 603 Cb 0.19 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 1qfm h ASP 603 CO 0.00 0.14 -0.13 -0.55 -1.72 0.00 0.00 179.24 176.97 1qfm s SER 604 N -6.03 6.80 0.18 6.45 0.15 -1.26 -4.99 113.70 115.01 1qfm s SER 604 Ca -0.01 0.95 -0.11 0.00 0.70 0.00 0.00 55.95 57.49 1qfm s SER 604 Cb 0.11 -2.29 0.09 0.00 -1.71 0.00 0.00 66.02 62.22 1qfm s SER 604 CO 0.59 0.15 1.73 0.50 1.20 0.00 0.00 173.24 177.41 1qfm h LYS 605 N 5.67 0.98 -0.29 5.44 3.64 -1.99 0.12 116.57 130.15 1qfm h LYS 605 Ca -0.46 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 58.72 1qfm h LYS 605 Cb 1.20 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1qfm h LYS 605 CO 0.69 0.85 0.17 0.37 -2.27 0.00 0.00 179.45 179.25 1qfm h GLN 606 N 0.92 0.40 -0.51 1.90 4.15 -1.95 -1.11 115.11 118.90 1qfm h GLN 606 Ca 0.21 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.51 1qfm h GLN 606 Cb 0.25 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 1qfm h GLN 606 CO -0.01 0.32 0.02 0.45 -1.93 0.00 0.00 178.83 177.68 1qfm h HIS 607 N 0.36 0.97 -0.81 3.99 3.86 -1.88 -2.75 115.15 118.89 1qfm h HIS 607 Ca 0.10 -0.16 0.07 0.00 -1.16 0.00 0.00 60.37 59.22 1qfm h HIS 607 Cb 0.03 -0.26 -0.06 0.00 1.06 0.00 0.00 27.41 28.18 1qfm h HIS 607 CO -0.04 0.90 0.48 0.35 0.86 0.00 0.00 177.93 180.48 1qfm h PHE 608 N 0.77 0.88 -0.04 2.45 3.57 -0.51 -0.31 116.94 123.75 1qfm h PHE 608 Ca 0.15 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1qfm h PHE 608 Cb 0.49 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1qfm h PHE 608 CO 0.04 0.42 -0.08 0.93 -2.23 0.00 0.00 178.31 177.38 1qfm h GLU 609 N 0.85 0.05 0.12 1.11 4.39 -0.92 0.28 114.58 120.47 1qfm h GLU 609 Ca 0.37 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 1qfm h GLU 609 Cb 0.23 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1qfm h GLU 609 CO -0.20 0.14 -0.06 -1.49 -1.16 0.00 0.00 179.01 176.25 1qfm h TRP 610 N 0.05 -0.14 -0.56 4.33 6.55 -0.97 -3.35 115.95 121.85 1qfm h TRP 610 Ca 0.01 -0.00 0.07 0.00 0.95 0.00 0.00 58.89 59.92 1qfm h TRP 610 Cb 0.18 0.05 -0.06 0.00 -0.86 0.00 0.00 29.16 28.47 1qfm h TRP 610 CO 0.00 0.33 0.24 -0.07 -1.05 0.00 0.00 178.44 177.89 1qfm h LEU 611 N -0.89 0.29 -2.11 -4.49 3.38 -0.81 -2.71 115.31 107.97 1qfm h LEU 611 Ca -0.02 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1qfm h LEU 611 Cb 0.54 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1qfm h LEU 611 CO 0.03 0.19 -0.06 -0.29 0.09 0.00 0.00 178.44 178.39 1qfm h ILE 612 N 0.45 0.72 0.00 1.22 6.09 -1.11 0.26 117.51 125.14 1qfm h ILE 612 Ca 0.27 -0.25 -0.07 0.00 -1.37 0.00 0.00 64.86 63.45 1qfm h ILE 612 Cb 0.27 1.15 -0.01 0.00 0.47 0.00 0.00 36.82 38.69 1qfm h ILE 612 CO -0.24 0.06 -0.31 0.11 -3.07 0.00 0.00 178.15 174.70 1qfm h LYS 613 N 0.00 0.00 0.00 2.19 1.57 -1.61 -3.36 116.57 115.36 1qfm h LYS 613 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qfm h LYS 613 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1qfm h LYS 613 CO 0.01 0.31 -0.12 2.48 -0.57 0.00 0.00 179.45 181.56 1qfm n TYR 614 N -3.46 0.00 -1.65 -1.35 0.18 -0.95 -4.98 117.16 104.95 1qfm n TYR 614 Ca 0.00 0.00 -0.56 0.00 1.88 0.00 0.00 57.90 59.22 1qfm n TYR 614 Cb 0.48 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.37 1qfm n TYR 614 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1qfm n SER 615 N -0.79 2.37 -0.23 9.48 2.88 0.04 -4.75 113.62 122.63 1qfm n SER 615 Ca 0.00 0.95 0.02 0.00 -1.33 0.00 0.00 58.87 58.51 1qfm n SER 615 Cb 0.00 -1.17 0.14 0.00 -0.75 0.00 0.00 64.21 62.44 1qfm n SER 615 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1qfm h PRO 616 N 8.29 0.37 0.00 -1.46 0.11 -1.87 -1.04 132.00 136.39 1qfm h PRO 616 Ca -0.42 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1qfm h PRO 616 Cb 1.32 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1qfm h PRO 616 CO 0.98 0.24 -0.03 1.25 -0.21 0.00 0.00 178.00 180.23 1qfm h LEU 617 N 0.38 0.00 -2.55 2.35 5.85 -1.61 -2.71 115.31 117.02 1qfm h LEU 617 Ca 0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1qfm h LEU 617 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1qfm h LEU 617 CO -0.38 0.03 0.00 1.41 -0.34 0.00 0.00 178.44 179.16 1qfm n HIS 618 N -4.13 0.60 -1.74 1.25 8.25 -0.44 -4.45 115.22 114.56 1qfm n HIS 618 Ca -0.03 -0.38 0.05 0.00 -0.26 0.00 0.00 57.72 57.11 1qfm n HIS 618 Cb 0.12 -0.01 0.10 0.00 1.12 0.00 0.00 29.99 31.32 1qfm n HIS 618 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1qfm n ASN 619 N 1.18 1.34 -4.65 0.41 3.02 -0.95 -4.97 115.26 110.64 1qfm n ASN 619 Ca 0.18 -2.82 -0.43 0.00 -0.03 0.00 0.00 54.58 51.48 1qfm n ASN 619 Cb 0.53 -0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 39.30 1qfm n ASN 619 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qfm s VAL 620 N -1.68 4.45 -0.14 2.41 1.01 -1.24 -4.84 120.40 120.36 1qfm s VAL 620 Ca 0.27 1.72 -0.10 0.00 0.00 0.00 0.00 61.98 63.87 1qfm s VAL 620 Cb 0.26 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.49 1qfm s VAL 620 CO -0.05 -0.25 0.36 -0.75 0.00 0.00 0.00 175.10 174.41 1qfm s LYS 621 N 3.50 0.36 0.22 2.72 2.20 -1.26 -5.00 119.74 122.49 1qfm s LYS 621 Ca 0.49 0.63 -0.32 0.00 -0.36 0.00 0.00 55.97 56.42 1qfm s LYS 621 Cb -0.17 0.04 -0.13 0.00 -1.51 0.00 0.00 37.83 36.06 1qfm s LYS 621 CO 0.13 -0.12 1.60 1.28 -0.36 0.00 0.00 175.35 177.87 1qfm n LEU 622 N 3.75 3.68 -4.77 5.43 4.77 -1.26 -4.91 117.00 123.69 1qfm n LEU 622 Ca -0.20 1.10 -0.40 0.00 -0.03 0.00 0.00 56.01 56.48 1qfm n LEU 622 Cb 0.56 -1.51 0.01 0.00 -2.33 0.00 0.00 43.42 40.14 1qfm n LEU 622 CO 0.12 -0.07 1.07 -2.84 -1.33 0.00 0.00 177.39 174.33 1qfm s PRO 623 N 0.41 3.81 0.07 3.23 0.02 -1.26 -4.92 135.00 136.34 1qfm s PRO 623 Ca 0.72 2.41 -0.27 0.00 0.02 0.00 0.00 61.00 63.88 1qfm s PRO 623 Cb -0.58 -2.73 -0.17 0.00 0.02 0.00 0.00 34.50 31.04 1qfm s PRO 623 CO 0.41 -0.72 1.62 0.93 -0.33 0.00 0.00 177.00 178.91 1qfm h GLU 624 N 2.51 -0.37 -6.85 5.54 3.07 -1.91 -3.44 114.58 113.14 1qfm h GLU 624 Ca -0.51 0.03 -0.53 0.00 -0.50 0.00 0.00 59.36 57.85 1qfm h GLU 624 Cb 1.26 0.08 0.08 0.00 -0.84 0.00 0.00 28.75 29.33 1qfm h GLU 624 CO 0.62 -0.20 0.74 0.00 -1.40 0.00 0.00 179.01 178.77 1qfm s ALA 625 N -5.89 3.59 0.38 3.43 0.00 -1.26 -4.92 121.76 117.08 1qfm s ALA 625 Ca -0.15 1.40 0.22 0.00 0.00 0.00 0.00 51.96 53.43 1qfm s ALA 625 Cb 0.04 -3.56 1.16 0.00 0.00 0.00 0.00 23.12 20.77 1qfm s ALA 625 CO 0.63 -0.83 1.98 -0.44 0.00 0.00 0.00 175.76 177.10 1qfm h ASP 626 N 3.96 0.00 -0.23 0.00 3.32 -2.03 -2.45 116.42 118.98 1qfm h ASP 626 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1qfm h ASP 626 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1qfm h ASP 626 CO 0.70 0.20 0.00 -0.90 -1.72 0.00 0.00 179.24 177.52 1qfm n ASP 627 N -3.81 1.84 -4.27 6.45 3.85 -1.26 -4.84 116.55 114.50 1qfm n ASP 627 Ca -0.02 -1.80 -0.33 0.00 -0.71 0.00 0.00 54.79 51.93 1qfm n ASP 627 Cb 0.30 -0.15 -0.16 0.00 -1.35 0.00 0.00 41.12 39.76 1qfm n ASP 627 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1qfm s ILE 628 N -1.69 2.47 0.40 2.12 1.01 -0.92 -5.11 121.20 119.47 1qfm s ILE 628 Ca 0.30 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 60.13 1qfm s ILE 628 Cb 0.16 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 1qfm s ILE 628 CO 0.24 0.54 0.10 0.00 0.00 0.00 0.00 174.94 175.82 1qfm s GLN 629 N 0.47 1.90 0.50 2.79 -2.07 -1.26 -4.54 119.66 117.45 1qfm s GLN 629 Ca -0.13 -2.15 -0.18 0.00 -1.82 0.00 0.00 55.36 51.08 1qfm s GLN 629 Cb -0.17 -0.76 -0.08 0.00 -1.09 0.00 0.00 33.01 30.91 1qfm s GLN 629 CO 0.05 -0.40 1.00 0.71 -1.32 0.00 0.00 175.29 175.33 1qfm s TYR 630 N -3.19 3.22 0.93 9.60 1.51 -1.26 -4.61 117.35 123.55 1qfm s TYR 630 Ca 0.25 1.54 -0.12 0.00 -1.01 0.00 0.00 57.07 57.73 1qfm s TYR 630 Cb 0.04 -2.91 0.15 0.00 -0.11 0.00 0.00 41.96 39.12 1qfm s TYR 630 CO 0.13 -0.55 1.10 -1.25 -1.11 0.00 0.00 175.55 173.87 1qfm s PRO 631 N -3.64 0.98 0.19 -1.71 0.04 -1.26 -4.66 135.00 124.95 1qfm s PRO 631 Ca 0.63 0.64 -0.31 0.00 0.04 0.00 0.00 61.00 62.00 1qfm s PRO 631 Cb -0.12 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 1qfm s PRO 631 CO 0.25 -2.38 1.43 -1.12 0.04 0.00 0.00 177.00 175.22 1qfm s SER 632 N -3.53 6.72 -0.03 6.66 0.01 -0.68 -4.81 113.70 118.04 1qfm s SER 632 Ca 0.64 2.53 0.04 0.00 1.31 0.00 0.00 55.95 60.47 1qfm s SER 632 Cb -0.18 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.45 1qfm s SER 632 CO 0.57 -0.69 -0.13 -0.04 0.41 0.00 0.00 173.24 173.36 1qfm s MET 633 N 0.33 1.30 -0.10 12.44 -1.94 -0.13 -0.43 119.30 130.78 1qfm s MET 633 Ca 0.62 -0.46 0.00 0.00 -1.71 0.00 0.00 55.69 54.15 1qfm s MET 633 Cb -0.40 -1.18 0.02 0.00 2.01 0.00 0.00 34.83 35.28 1qfm s MET 633 CO 0.37 0.20 -0.08 -1.17 -0.01 0.00 0.00 175.02 174.33 1qfm s LEU 634 N 0.04 1.23 -0.16 -0.03 2.96 -0.06 -0.77 118.68 121.88 1qfm s LEU 634 Ca -0.02 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 1qfm s LEU 634 Cb -0.09 -0.78 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 1qfm s LEU 634 CO 0.01 -0.09 0.05 -0.76 -1.32 0.00 0.00 176.35 174.24 1qfm s LEU 635 N 1.49 3.77 -0.12 -0.68 1.43 0.10 -1.30 118.68 123.37 1qfm s LEU 635 Ca 0.01 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1qfm s LEU 635 Cb -0.13 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1qfm s LEU 635 CO -0.05 0.21 -0.21 -0.76 0.23 0.00 0.00 176.35 175.77 1qfm s LEU 636 N 0.13 2.24 0.00 1.79 1.43 -0.55 -1.18 118.68 122.54 1qfm s LEU 636 Ca 0.04 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1qfm s LEU 636 Cb -0.12 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.63 1qfm s LEU 636 CO 0.01 0.13 0.44 1.07 0.23 0.00 0.00 176.35 178.22 1qfm n THR 637 N 3.76 0.00 -3.84 5.49 5.66 -0.82 -0.12 114.28 124.42 1qfm n THR 637 Ca -0.19 -1.62 -0.11 0.00 -3.05 0.00 0.00 64.05 59.08 1qfm n THR 637 Cb 0.52 0.99 -0.09 0.00 -1.55 0.00 0.00 70.33 70.21 1qfm n THR 637 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qfm s ALA 638 N -2.67 -0.42 -0.65 1.79 0.00 -1.26 -1.20 121.76 117.35 1qfm s ALA 638 Ca 0.26 -0.16 0.19 0.00 0.00 0.00 0.00 51.96 52.25 1qfm s ALA 638 Cb -0.01 0.22 0.83 0.00 0.00 0.00 0.00 23.12 24.15 1qfm s ALA 638 CO 0.19 -0.31 1.59 -0.40 0.00 0.00 0.00 175.76 176.82 1qfm n ASP 639 N 0.93 0.41 -0.88 0.00 5.68 -0.43 -2.09 116.55 120.17 1qfm n ASP 639 Ca -0.20 0.61 0.07 0.00 -0.50 0.00 0.00 54.79 54.78 1qfm n ASP 639 Cb 0.58 -0.70 0.25 0.00 -1.14 0.00 0.00 41.12 40.11 1qfm n ASP 639 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1qfm n HIS 640 N -1.97 0.92 -2.50 2.11 8.25 -0.05 -4.32 115.22 117.66 1qfm n HIS 640 Ca 0.02 -0.96 -0.39 0.00 -0.26 0.00 0.00 57.72 56.13 1qfm n HIS 640 Cb 0.18 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 30.93 1qfm n HIS 640 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1qfm s ASP 641 N -2.04 6.37 0.00 0.41 -1.08 -0.89 -4.05 116.67 115.39 1qfm s ASP 641 Ca 0.42 -1.46 0.25 0.00 -0.52 0.00 0.00 52.55 51.24 1qfm s ASP 641 Cb 0.35 -2.57 1.03 0.00 -1.46 0.00 0.00 42.92 40.27 1qfm s ASP 641 CO 0.08 -1.63 1.72 -0.90 0.52 0.00 0.00 175.17 174.95 1qfm n ASP 642 N 9.46 1.28 -0.06 -0.34 3.85 -1.25 -3.03 116.55 126.47 1qfm n ASP 642 Ca 0.35 -1.52 -0.05 0.00 -0.71 0.00 0.00 54.79 52.86 1qfm n ASP 642 Cb 0.50 -0.04 -0.04 0.00 -1.35 0.00 0.00 41.12 40.19 1qfm n ASP 642 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 1qfm h ARG 643 N 1.86 0.00 -4.10 0.11 9.65 -1.93 -3.41 114.38 116.56 1qfm h ARG 643 Ca 0.00 0.00 -0.65 0.00 -1.10 0.00 0.00 59.98 58.23 1qfm h ARG 643 Cb 0.40 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 28.58 1qfm h ARG 643 CO 0.00 0.29 -0.67 0.08 2.80 0.00 0.00 179.97 182.47 1qfm s VAL 644 N -1.84 2.49 0.16 0.20 1.01 -1.25 -4.63 120.40 116.53 1qfm s VAL 644 Ca -0.08 -2.77 -0.33 0.00 0.00 0.00 0.00 61.98 58.80 1qfm s VAL 644 Cb -0.00 -2.78 -0.16 0.00 0.00 0.00 0.00 36.38 33.44 1qfm s VAL 644 CO 0.22 -0.70 1.17 1.33 0.00 0.00 0.00 175.10 177.13 1qfm n VAL 645 N 3.75 0.78 0.33 2.92 0.24 -1.17 -4.80 118.33 120.39 1qfm n VAL 645 Ca 0.04 -0.20 0.18 0.00 -2.04 0.00 0.00 64.34 62.33 1qfm n VAL 645 Cb 0.38 -0.80 0.97 0.00 -1.47 0.00 0.00 33.84 32.91 1qfm n VAL 645 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1qfm h PRO 646 N 3.45 0.00 -0.59 7.34 0.13 -1.82 -2.39 132.00 138.11 1qfm h PRO 646 Ca -0.44 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.87 1qfm h PRO 646 Cb 1.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1qfm h PRO 646 CO 0.71 0.00 0.48 1.37 -0.23 0.00 0.00 178.00 180.33 1qfm h LEU 647 N 0.00 0.00 0.05 1.56 8.10 -1.88 -0.25 115.31 122.89 1qfm h LEU 647 Ca 0.01 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.01 1qfm h LEU 647 Cb 0.43 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.63 1qfm h LEU 647 CO -0.00 0.00 -0.11 0.45 -4.11 0.00 0.00 178.44 174.67 1qfm h HIS 648 N 0.00 -0.28 -0.19 0.17 3.86 -1.74 -0.54 115.15 116.43 1qfm h HIS 648 Ca 0.28 0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.34 1qfm h HIS 648 Cb 1.25 0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.83 1qfm h HIS 648 CO 0.00 -0.17 -0.53 0.77 0.86 0.00 0.00 177.93 178.86 1qfm h SER 649 N -0.21 0.60 -0.00 2.45 0.02 -1.32 -2.38 113.55 112.72 1qfm h SER 649 Ca 0.02 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1qfm h SER 649 Cb 0.24 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1qfm h SER 649 CO -0.08 1.02 0.00 -0.07 -1.14 0.00 0.00 176.83 176.57 1qfm h LEU 650 N 0.42 0.01 -0.83 5.07 3.38 -0.97 -0.72 115.31 121.66 1qfm h LEU 650 Ca 0.01 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1qfm h LEU 650 Cb 1.06 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1qfm h LEU 650 CO 0.10 0.07 0.12 0.11 0.09 0.00 0.00 178.44 178.93 1qfm h LYS 651 N -0.06 0.99 -0.25 1.13 1.57 -1.14 -2.31 116.57 116.50 1qfm h LYS 651 Ca 0.00 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 1qfm h LYS 651 Cb 0.07 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1qfm h LYS 651 CO -0.00 0.91 0.03 0.35 -0.57 0.00 0.00 179.45 180.16 1qfm h PHE 652 N 0.94 0.46 -0.39 -1.35 3.57 -1.23 -2.06 116.94 116.88 1qfm h PHE 652 Ca 0.19 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 1qfm h PHE 652 Cb 0.38 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1qfm h PHE 652 CO 0.03 0.56 -0.10 0.97 -2.23 0.00 0.00 178.31 177.54 1qfm h ILE 653 N 0.23 1.25 -0.70 1.41 6.09 -1.07 0.15 117.51 124.86 1qfm h ILE 653 Ca 0.08 -1.09 -0.00 0.00 -1.37 0.00 0.00 64.86 62.47 1qfm h ILE 653 Cb 0.36 1.06 -0.03 0.00 0.47 0.00 0.00 36.82 38.67 1qfm h ILE 653 CO 0.01 0.37 0.43 0.00 -3.07 0.00 0.00 178.15 175.89 1qfm h ALA 654 N 1.27 0.90 -0.32 0.18 0.00 -1.32 -0.47 119.26 119.49 1qfm h ALA 654 Ca 0.11 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1qfm h ALA 654 Cb 0.54 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1qfm h ALA 654 CO 0.03 0.36 -0.12 1.15 0.00 0.00 0.00 179.25 180.66 1qfm h THR 655 N 0.96 1.29 -0.26 0.00 2.02 -0.87 -1.69 112.91 114.35 1qfm h THR 655 Ca 0.25 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1qfm h THR 655 Cb -0.05 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1qfm h THR 655 CO -0.05 0.39 0.17 -0.07 0.37 0.00 0.00 175.52 176.33 1qfm h LEU 656 N 0.42 0.31 -0.95 2.58 3.38 -0.72 -0.29 115.31 120.04 1qfm h LEU 656 Ca 0.08 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1qfm h LEU 656 Cb 0.64 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1qfm h LEU 656 CO 0.04 0.25 0.16 1.56 0.09 0.00 0.00 178.44 180.54 1qfm h GLN 657 N 0.34 0.92 0.08 1.13 4.20 -1.05 0.13 115.11 120.87 1qfm h GLN 657 Ca 0.10 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1qfm h GLN 657 Cb -0.01 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1qfm h GLN 657 CO -0.02 0.82 -0.04 -0.92 -0.67 0.00 0.00 178.83 178.00 1qfm h TYR 658 N 0.89 -0.10 -0.07 2.96 3.20 -1.10 -1.92 116.97 120.83 1qfm h TYR 658 Ca 0.19 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 1qfm h TYR 658 Cb 0.30 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1qfm h TYR 658 CO 0.02 0.46 -0.22 0.82 -1.64 0.00 0.00 178.16 177.60 1qfm h ILE 659 N -0.87 1.42 0.00 1.81 1.08 -1.11 -3.34 117.51 116.51 1qfm h ILE 659 Ca -0.01 -1.59 -0.42 0.00 -0.39 0.00 0.00 64.86 62.44 1qfm h ILE 659 Cb 0.60 2.27 -0.07 0.00 -3.07 0.00 0.00 36.82 36.55 1qfm h ILE 659 CO 0.02 0.45 -2.48 0.52 -0.69 0.00 0.00 178.15 175.97 1qfm n VAL 660 N -4.52 1.52 -0.10 1.67 0.31 -0.10 -4.51 118.33 112.60 1qfm n VAL 660 Ca -0.08 -0.47 0.13 0.00 -0.01 0.00 0.00 64.34 63.91 1qfm n VAL 660 Cb 0.44 -1.67 0.51 0.00 -0.91 0.00 0.00 33.84 32.21 1qfm n VAL 660 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1qfm h GLY 661 N 0.44 0.57 2.00 2.92 0.00 -0.26 -1.86 103.07 106.88 1qfm h GLY 661 Ca -0.63 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1qfm h GLY 661 CO -0.25 0.08 0.00 3.21 0.00 0.00 0.00 176.54 179.58 1qfm h ARG 662 N 0.38 0.00 -6.89 4.80 3.08 -1.49 -3.46 114.38 110.80 1qfm h ARG 662 Ca 0.30 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.83 1qfm h ARG 662 Cb 0.65 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.76 1qfm h ARG 662 CO -0.08 0.00 0.60 -1.54 -1.07 0.00 0.00 179.97 177.88 1qfm s SER 663 N -5.31 6.71 0.37 7.04 1.04 -0.70 -4.93 113.70 117.92 1qfm s SER 663 Ca 0.06 2.60 0.06 0.00 0.48 0.00 0.00 55.95 59.15 1qfm s SER 663 Cb 0.09 -2.64 0.72 0.00 0.10 0.00 0.00 66.02 64.28 1qfm s SER 663 CO 0.58 -0.57 1.96 -0.09 0.98 0.00 0.00 173.24 176.10 1qfm h ARG 664 N 3.21 0.53 0.00 4.02 2.43 -1.88 -2.38 114.38 120.31 1qfm h ARG 664 Ca -0.49 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1qfm h ARG 664 Cb 1.23 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1qfm h ARG 664 CO 0.65 0.46 0.00 1.57 -1.51 0.00 0.00 179.97 181.14 1qfm h LYS 665 N 0.52 0.00 -6.44 0.20 2.10 -1.93 -3.42 116.57 107.60 1qfm h LYS 665 Ca 0.13 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.22 1qfm h LYS 665 Cb 0.15 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.40 1qfm h LYS 665 CO -0.01 0.00 0.94 -1.14 -2.00 0.00 0.00 179.45 177.24 1qfm s GLN 666 N -3.31 3.44 -0.01 0.07 2.00 -0.90 -4.78 119.66 116.17 1qfm s GLN 666 Ca 0.06 0.10 0.11 0.00 -2.00 0.00 0.00 55.36 53.62 1qfm s GLN 666 Cb 0.10 -4.05 -0.15 0.00 0.80 0.00 0.00 33.01 29.71 1qfm s GLN 666 CO 0.50 -1.73 0.30 0.09 -0.50 0.00 0.00 175.29 173.95 1qfm n ASN 667 N 8.46 1.91 -4.73 6.67 3.02 -1.26 -4.90 115.26 124.43 1qfm n ASN 667 Ca 0.07 -0.22 -0.41 0.00 -0.03 0.00 0.00 54.58 53.98 1qfm n ASN 667 Cb 0.49 1.35 -0.04 0.00 -0.61 0.00 0.00 39.78 40.97 1qfm n ASN 667 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1qfm s ASN 668 N -2.88 7.27 0.51 6.41 0.01 -1.26 -4.65 114.94 120.35 1qfm s ASN 668 Ca -0.02 1.98 -0.21 0.00 -0.71 0.00 0.00 52.86 53.90 1qfm s ASN 668 Cb 0.07 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 39.08 1qfm s ASN 668 CO 0.45 -0.25 1.18 -2.16 -1.51 0.00 0.00 177.10 174.81 1qfm s PRO 669 N 0.13 3.48 -0.32 -0.60 0.04 -1.26 -4.80 135.00 131.67 1qfm s PRO 669 Ca 0.51 1.78 0.01 0.00 0.04 0.00 0.00 61.00 63.34 1qfm s PRO 669 Cb -0.28 -2.22 0.10 0.00 0.04 0.00 0.00 34.50 32.15 1qfm s PRO 669 CO 0.32 -0.78 0.09 -0.51 0.04 0.00 0.00 177.00 176.16 1qfm s LEU 670 N -3.42 2.93 0.23 -3.56 1.43 -1.26 -0.96 118.68 114.07 1qfm s LEU 670 Ca 0.69 -1.81 0.07 0.00 -1.03 0.00 0.00 54.13 52.05 1qfm s LEU 670 Cb -0.29 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.81 1qfm s LEU 670 CO 0.34 -0.40 -0.09 -0.76 0.23 0.00 0.00 176.35 175.66 1qfm s LEU 671 N 1.39 2.48 0.02 1.79 1.43 0.05 -4.86 118.68 120.98 1qfm s LEU 671 Ca 0.10 -1.11 0.02 0.00 -1.03 0.00 0.00 54.13 52.12 1qfm s LEU 671 Cb -0.18 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 1qfm s LEU 671 CO -0.20 -0.29 -0.08 -0.51 0.23 0.00 0.00 176.35 175.50 1qfm s ILE 672 N -3.06 0.59 -0.11 -0.59 2.07 -1.26 -0.72 121.20 118.12 1qfm s ILE 672 Ca 0.26 -0.68 0.00 0.00 -1.41 0.00 0.00 60.65 58.81 1qfm s ILE 672 Cb 0.02 -0.57 0.02 0.00 0.13 0.00 0.00 42.46 42.06 1qfm s ILE 672 CO 0.09 -0.09 -0.10 -2.28 -1.91 0.00 0.00 174.94 170.65 1qfm s HIS 673 N -0.73 1.58 -0.29 3.50 5.65 -0.33 -4.42 115.29 120.26 1qfm s HIS 673 Ca -0.03 -0.76 -0.06 0.00 0.25 0.00 0.00 55.06 54.46 1qfm s HIS 673 Cb -0.06 -1.25 0.02 0.00 -1.18 0.00 0.00 32.58 30.10 1qfm s HIS 673 CO 0.00 -0.48 0.05 0.08 -0.65 0.00 0.00 174.74 173.74 1qfm s VAL 674 N 1.43 3.70 0.58 0.89 1.01 -1.26 -1.95 120.40 124.80 1qfm s VAL 674 Ca 0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1qfm s VAL 674 Cb -0.13 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1qfm s VAL 674 CO -0.06 0.08 0.92 -0.62 0.00 0.00 0.00 175.10 175.43 1qfm s ASP 675 N 1.45 6.01 0.22 3.32 2.15 -0.34 -4.87 116.67 124.60 1qfm s ASP 675 Ca 0.02 1.06 0.08 0.00 0.43 0.00 0.00 52.55 54.13 1qfm s ASP 675 Cb -0.17 -2.17 -0.04 0.00 -0.30 0.00 0.00 42.92 40.24 1qfm s ASP 675 CO 0.01 -0.87 0.06 0.42 -0.17 0.00 0.00 175.17 174.63 1qfm s THR 676 N -3.01 3.92 -1.59 1.71 -4.23 -1.26 -1.31 115.64 109.87 1qfm s THR 676 Ca 0.52 -1.51 -0.16 0.00 -1.18 0.00 0.00 61.69 59.37 1qfm s THR 676 Cb -0.11 -3.04 0.12 0.00 1.34 0.00 0.00 72.50 70.81 1qfm s THR 676 CO 0.49 -0.24 0.89 0.29 -0.54 0.00 0.00 174.62 175.50 1qfm n LYS 677 N -0.61 -4.51 -3.87 3.99 5.02 -1.26 -4.93 118.16 111.98 1qfm n LYS 677 Ca -0.08 0.50 -0.09 0.00 -2.02 0.00 0.00 58.31 56.63 1qfm n LYS 677 Cb 0.57 -5.33 -0.08 0.00 -0.02 0.00 0.00 35.03 30.17 1qfm n LYS 677 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qfm s ALA 678 N -3.27 -0.19 0.00 7.82 0.00 -0.94 -4.41 121.76 120.77 1qfm s ALA 678 Ca 0.69 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1qfm s ALA 678 Cb -0.36 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1qfm s ALA 678 CO 0.85 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.54 1qfm n GLY 679 N 0.04 5.49 0.26 0.00 0.00 -1.15 -0.87 105.19 108.97 1qfm n GLY 679 Ca -0.15 -1.20 0.09 0.00 0.00 0.00 0.00 46.02 44.75 1qfm n GLY 679 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1qfm h HIS 680 N 0.00 0.00 0.00 1.61 2.76 -1.77 -3.42 115.15 114.32 1qfm h HIS 680 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1qfm h HIS 680 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1qfm h HIS 680 CO 0.00 0.01 0.00 0.41 -1.30 0.00 0.00 177.93 177.05 1qfm n GLY 681 N -1.47 3.71 3.73 5.26 0.00 -1.26 -4.94 105.19 110.21 1qfm n GLY 681 Ca -0.03 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1qfm n GLY 681 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfm n ALA 682 N 0.00 2.30 -0.96 4.61 0.00 -1.26 -2.09 120.51 123.10 1qfm n ALA 682 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1qfm n ALA 682 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1qfm n ALA 682 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qfm n GLY 683 N 2.31 0.56 3.72 0.00 0.00 -1.26 -4.77 105.19 105.75 1qfm n GLY 683 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1qfm n GLY 683 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qfm s LYS 684 N -0.32 4.17 0.65 1.61 2.20 -0.89 -4.74 119.74 122.42 1qfm s LYS 684 Ca 0.00 2.47 -0.17 0.00 -0.36 0.00 0.00 55.97 57.92 1qfm s LYS 684 Cb 0.00 -3.11 -0.00 0.00 -1.51 0.00 0.00 37.83 33.20 1qfm s LYS 684 CO 0.00 -0.66 1.18 -1.25 -0.36 0.00 0.00 175.35 174.26 1qfm s PRO 685 N 1.04 2.67 0.27 4.03 0.04 -1.26 -4.77 135.00 137.02 1qfm s PRO 685 Ca 0.71 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1qfm s PRO 685 Cb -0.46 -1.90 0.61 0.00 0.04 0.00 0.00 34.50 32.78 1qfm s PRO 685 CO 0.33 -1.41 1.71 1.15 0.04 0.00 0.00 177.00 178.82 1qfm h THR 686 N 0.32 0.56 -0.79 1.26 2.02 -1.59 0.07 112.91 114.76 1qfm h THR 686 Ca -0.49 -0.15 0.05 0.00 0.77 0.00 0.00 66.41 66.60 1qfm h THR 686 Cb 1.28 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 1qfm h THR 686 CO 0.53 0.08 0.48 0.00 0.37 0.00 0.00 175.52 176.98 1qfm h ALA 687 N 1.64 1.07 -0.16 6.16 0.00 -1.87 -0.29 119.26 125.80 1qfm h ALA 687 Ca 0.50 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.23 1qfm h ALA 687 Cb 0.86 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1qfm h ALA 687 CO -0.47 0.23 -0.60 0.87 0.00 0.00 0.00 179.25 179.27 1qfm h LYS 688 N 0.90 0.54 -0.41 0.00 1.57 -1.39 -2.17 116.57 115.60 1qfm h LYS 688 Ca 0.34 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1qfm h LYS 688 Cb 0.13 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1qfm h LYS 688 CO -0.16 0.98 0.26 0.28 -0.57 0.00 0.00 179.45 180.24 1qfm h VAL 689 N 0.40 1.11 -0.58 0.50 2.07 -0.53 -0.55 116.25 118.67 1qfm h VAL 689 Ca -0.00 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1qfm h VAL 689 Cb 1.16 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1qfm h VAL 689 CO 0.11 0.11 0.31 0.40 0.02 0.00 0.00 177.57 178.52 1qfm h ILE 690 N 0.55 1.19 -0.82 4.57 2.04 -0.96 -1.57 117.51 122.52 1qfm h ILE 690 Ca 0.15 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1qfm h ILE 690 Cb -0.04 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 1qfm h ILE 690 CO -0.03 0.21 0.34 -0.33 0.00 0.00 0.00 178.15 178.35 1qfm h GLU 691 N 0.79 1.21 -0.06 2.37 4.39 -1.10 -2.01 114.58 120.16 1qfm h GLU 691 Ca 0.20 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1qfm h GLU 691 Cb 0.06 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1qfm h GLU 691 CO -0.03 0.96 0.02 1.49 -1.16 0.00 0.00 179.01 180.28 1qfm h GLU 692 N 1.18 0.10 -0.06 2.33 4.81 -0.63 -0.92 114.58 121.38 1qfm h GLU 692 Ca 0.27 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1qfm h GLU 692 Cb 0.19 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1qfm h GLU 692 CO -0.03 0.29 -0.30 -0.39 -0.73 0.00 0.00 179.01 177.85 1qfm h VAL 693 N -0.11 1.24 -0.70 0.32 -1.51 -1.27 -0.96 116.25 113.26 1qfm h VAL 693 Ca 0.02 -1.14 -0.07 0.00 -1.23 0.00 0.00 66.70 64.28 1qfm h VAL 693 Cb 0.23 1.53 -0.03 0.00 -2.13 0.00 0.00 31.29 30.90 1qfm h VAL 693 CO 0.00 0.33 0.15 0.28 -1.23 0.00 0.00 177.57 177.11 1qfm h SER 694 N 0.10 1.08 -0.21 4.19 0.02 -1.12 -0.76 113.55 116.85 1qfm h SER 694 Ca 0.01 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 1qfm h SER 694 Cb 0.59 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1qfm h SER 694 CO 0.04 1.04 0.02 0.44 -1.14 0.00 0.00 176.83 177.24 1qfm h ASP 695 N 1.07 0.34 0.14 3.07 3.32 -0.64 -1.35 116.42 122.37 1qfm h ASP 695 Ca 0.22 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1qfm h ASP 695 Cb 0.40 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1qfm h ASP 695 CO 0.01 0.54 -0.18 0.24 -1.72 0.00 0.00 179.24 178.13 1qfm h MET 696 N 0.14 -0.35 0.00 3.56 2.86 -0.89 -1.32 114.93 118.92 1qfm h MET 696 Ca 0.06 0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1qfm h MET 696 Cb 0.35 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1qfm h MET 696 CO 0.01 -0.24 -0.31 0.74 1.06 0.00 0.00 176.91 178.17 1qfm h PHE 697 N -0.37 0.00 -0.23 -0.22 -1.00 -1.17 -1.94 116.94 112.02 1qfm h PHE 697 Ca 0.01 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.59 1qfm h PHE 697 Cb 0.36 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.93 1qfm h PHE 697 CO -0.16 0.31 -0.65 0.00 -1.61 0.00 0.00 178.31 176.19 1qfm h ALA 698 N 1.69 0.39 -0.10 2.45 0.00 -1.11 -0.24 119.26 122.34 1qfm h ALA 698 Ca -0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1qfm h ALA 698 Cb 0.91 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1qfm h ALA 698 CO 0.04 0.68 0.06 0.35 0.00 0.00 0.00 179.25 180.38 1qfm h PHE 699 N 0.62 0.13 0.06 0.00 3.57 -0.97 0.62 116.94 120.96 1qfm h PHE 699 Ca -0.02 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1qfm h PHE 699 Cb 1.27 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1qfm h PHE 699 CO 0.08 0.12 -0.08 0.82 -2.23 0.00 0.00 178.31 177.02 1qfm h ILE 700 N 0.10 0.81 -0.51 1.41 2.04 -1.30 -1.12 117.51 118.94 1qfm h ILE 700 Ca 0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1qfm h ILE 700 Cb 0.03 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1qfm h ILE 700 CO -0.01 0.00 0.26 0.00 0.00 0.00 0.00 178.15 178.40 1qfm h ALA 701 N 0.76 0.66 -0.09 1.87 0.00 -0.82 -0.58 119.26 121.06 1qfm h ALA 701 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1qfm h ALA 701 Cb 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1qfm h ALA 701 CO -0.04 -0.09 -0.06 -0.09 0.00 0.00 0.00 179.25 178.97 1qfm h ARG 702 N 0.50 0.19 -0.95 0.00 2.43 -0.78 0.24 114.38 116.01 1qfm h ARG 702 Ca 0.23 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1qfm h ARG 702 Cb 0.14 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1qfm h ARG 702 CO -0.16 0.59 0.59 0.00 -1.51 0.00 0.00 179.97 179.48 1qfm n LEU 704 N -4.36 2.68 -3.78 0.00 4.77 -0.24 -4.98 117.00 111.10 1qfm n LEU 704 Ca 0.11 -0.95 -0.26 0.00 -0.03 0.00 0.00 56.01 54.87 1qfm n LEU 704 Cb 0.05 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1qfm n LEU 704 CO 0.38 0.48 -0.13 -3.20 -1.33 0.00 0.00 177.39 173.58 1qfm n ASN 705 N 1.07 -2.35 -4.74 -1.43 5.15 0.70 -4.95 115.26 108.69 1qfm n ASN 705 Ca 0.16 -0.95 -0.39 0.00 -0.60 0.00 0.00 54.58 52.80 1qfm n ASN 705 Cb 0.54 -3.49 -0.05 0.00 -0.53 0.00 0.00 39.78 36.24 1qfm n ASN 705 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1qfm s ILE 706 N -3.70 4.91 0.12 -1.44 1.01 -0.24 -5.03 121.20 116.83 1qfm s ILE 706 Ca 0.17 1.38 -0.30 0.00 0.00 0.00 0.00 60.65 61.90 1qfm s ILE 706 Cb -0.06 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 1qfm s ILE 706 CO 0.85 0.36 1.01 -1.81 0.00 0.00 0.00 174.94 175.36 1qfm s ASP 707 N 0.12 7.41 0.16 3.58 -0.00 -1.26 -4.87 116.67 121.81 1qfm s ASP 707 Ca 0.34 1.88 -0.30 0.00 -0.00 0.00 0.00 52.55 54.47 1qfm s ASP 707 Cb -0.19 -2.59 -0.07 0.00 -0.00 0.00 0.00 42.92 40.07 1qfm s ASP 707 CO 0.19 -0.14 1.19 0.86 -0.00 0.00 0.00 175.17 177.27 1qfm s TRP 708 N 0.02 3.45 -0.37 4.23 -0.11 -1.26 -4.70 118.94 120.20 1qfm s TRP 708 Ca 0.48 1.41 -0.06 0.00 1.22 0.00 0.00 56.10 59.15 1qfm s TRP 708 Cb -0.25 -3.41 0.06 0.00 -1.50 0.00 0.00 33.47 28.36 1qfm s TRP 708 CO 0.31 -1.17 0.15 0.42 -4.62 0.00 0.00 176.95 172.04 1qfm s ILE 709 N 0.18 3.75 -2.00 5.86 1.01 0.88 -5.02 121.20 125.86 1qfm s ILE 709 Ca 0.54 -1.36 0.06 0.00 0.00 0.00 0.00 60.65 59.88 1qfm s ILE 709 Cb -0.32 -3.23 0.16 0.00 0.01 0.00 0.00 42.46 39.08 1qfm s ILE 709 CO 0.35 -0.33 0.80 -0.81 0.00 0.00 0.00 174.94 174.95