#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtf s LYS 2 N 0.00 4.44 -0.03 2.12 1.02 -1.26 -4.79 119.74 121.25 2qtf s LYS 2 Ca 0.00 2.08 0.01 0.00 0.02 0.00 0.00 55.97 58.08 2qtf s LYS 2 Cb 0.00 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 2qtf s LYS 2 CO 0.00 -0.07 -0.02 0.95 -0.92 0.00 0.00 175.35 175.29 2qtf s THR 3 N -1.08 4.07 0.06 2.17 -4.23 -1.26 0.36 115.64 115.72 2qtf s THR 3 Ca 0.48 -0.53 0.06 0.00 -1.18 0.00 0.00 61.69 60.52 2qtf s THR 3 Cb -0.37 -2.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.68 2qtf s THR 3 CO 0.49 0.46 -0.16 0.00 -0.54 0.00 0.00 174.62 174.87 2qtf s ALA 4 N -0.99 1.33 -0.23 3.99 0.00 0.88 -2.28 121.76 124.46 2qtf s ALA 4 Ca 0.17 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 2qtf s ALA 4 Cb -0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 2qtf s ALA 4 CO 0.07 0.25 0.38 0.00 0.00 0.00 0.00 175.76 176.45 2qtf s ALA 5 N -0.99 3.57 -0.18 0.00 0.00 -0.59 0.07 121.76 123.63 2qtf s ALA 5 Ca 0.02 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 2qtf s ALA 5 Cb -0.09 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 2qtf s ALA 5 CO 0.02 -0.41 -0.05 -1.17 0.00 0.00 0.00 175.76 174.16 2qtf s LEU 6 N 1.54 3.06 -0.23 0.00 2.96 0.34 -0.93 118.68 125.41 2qtf s LEU 6 Ca 0.17 -0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 53.73 2qtf s LEU 6 Cb -0.15 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2qtf s LEU 6 CO 0.08 0.09 0.13 -0.36 -1.32 0.00 0.00 176.35 174.97 2qtf s PHE 7 N 0.82 3.25 -0.12 5.38 0.08 -0.24 -0.68 117.98 126.47 2qtf s PHE 7 Ca -0.01 0.06 -0.27 0.00 0.12 0.00 0.00 56.93 56.83 2qtf s PHE 7 Cb -0.15 -2.23 0.06 0.00 -0.57 0.00 0.00 43.02 40.13 2qtf s PHE 7 CO 0.02 -0.02 0.65 0.54 -0.10 0.00 0.00 175.22 176.31 2qtf s VAL 8 N 1.09 0.00 0.77 -0.44 0.11 -0.37 -0.10 120.40 121.47 2qtf s VAL 8 Ca 0.06 -0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 58.97 2qtf s VAL 8 Cb -0.14 -0.95 0.06 0.00 -1.53 0.00 0.00 36.38 33.82 2qtf s VAL 8 CO 0.04 -0.02 1.09 -0.94 -3.33 0.00 0.00 175.10 171.94 2qtf s SER 9 N -0.68 4.55 0.45 3.54 1.04 -1.26 -3.48 113.70 117.85 2qtf s SER 9 Ca -0.08 1.75 0.22 0.00 0.48 0.00 0.00 55.95 58.32 2qtf s SER 9 Cb -0.02 -2.48 1.05 0.00 0.10 0.00 0.00 66.02 64.67 2qtf s SER 9 CO 0.06 -2.00 1.91 0.11 0.98 0.00 0.00 173.24 174.31 2qtf h LYS 10 N -1.10 0.00 -0.60 4.02 1.79 -2.00 -0.37 116.57 118.31 2qtf h LYS 10 Ca -0.44 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.01 2qtf h LYS 10 Cb 1.23 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.86 2qtf h LYS 10 CO 0.53 0.24 0.29 1.49 -1.08 0.00 0.00 179.45 180.92 2qtf h GLU 11 N 0.00 0.87 -0.02 3.15 4.81 -2.05 -3.05 114.58 118.29 2qtf h GLU 11 Ca -0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2qtf h GLU 11 Cb 0.57 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2qtf h GLU 11 CO 0.03 0.69 -0.33 1.19 -0.73 0.00 0.00 179.01 179.87 2qtf n PHE 12 N -4.52 0.00 -0.11 0.92 3.72 -0.76 -4.67 117.46 112.03 2qtf n PHE 12 Ca 0.04 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.39 2qtf n PHE 12 Cb 0.12 -0.03 0.02 0.00 -0.94 0.00 0.00 39.48 38.65 2qtf n PHE 12 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2qtf h GLU 13 N 2.45 0.17 -0.31 -1.08 4.81 -0.98 0.15 114.58 119.80 2qtf h GLU 13 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2qtf h GLU 13 Cb 0.71 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2qtf h GLU 13 CO 0.00 0.12 0.07 1.49 -0.73 0.00 0.00 179.01 179.95 2qtf h GLU 14 N 0.18 0.51 0.00 1.92 4.81 -1.83 -0.66 114.58 119.51 2qtf h GLU 14 Ca 0.18 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2qtf h GLU 14 Cb 0.22 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2qtf h GLU 14 CO -0.25 0.59 -0.00 1.49 -0.73 0.00 0.00 179.01 180.10 2qtf h GLU 15 N 0.35 -0.00 -0.86 1.92 4.57 -1.80 -2.90 114.58 115.85 2qtf h GLU 15 Ca 0.10 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 2qtf h GLU 15 Cb 0.31 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.84 2qtf h GLU 15 CO 0.00 0.04 0.54 0.00 -1.18 0.00 0.00 179.01 178.42 2qtf h ALA 16 N 0.95 1.18 -0.44 2.92 0.00 -0.60 -0.25 119.26 123.02 2qtf h ALA 16 Ca -0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2qtf h ALA 16 Cb 0.05 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 2qtf h ALA 16 CO 0.00 0.30 0.03 0.82 0.00 0.00 0.00 179.25 180.40 2qtf h ILE 17 N 0.99 0.70 -0.26 0.00 2.04 -1.08 0.49 117.51 120.39 2qtf h ILE 17 Ca 0.37 -0.05 -0.13 0.00 1.00 0.00 0.00 64.86 66.05 2qtf h ILE 17 Cb 0.15 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2qtf h ILE 17 CO -0.17 0.03 -0.40 0.00 0.00 0.00 0.00 178.15 177.61 2qtf h ALA 18 N 1.37 0.83 -0.26 1.87 0.00 -1.25 -0.42 119.26 121.40 2qtf h ALA 18 Ca 0.22 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qtf h ALA 18 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2qtf h ALA 18 CO -0.34 0.65 0.16 -0.07 0.00 0.00 0.00 179.25 179.65 2qtf h LEU 19 N 0.50 0.30 -0.79 0.00 3.38 -0.79 -1.79 115.31 116.13 2qtf h LEU 19 Ca 0.04 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2qtf h LEU 19 Cb 0.91 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2qtf h LEU 19 CO 0.08 0.26 0.39 0.58 0.09 0.00 0.00 178.44 179.84 2qtf h VAL 20 N 0.33 1.25 0.00 1.22 2.07 -0.66 -1.45 116.25 119.00 2qtf h VAL 20 Ca 0.09 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 2qtf h VAL 20 Cb 0.00 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2qtf h VAL 20 CO -0.02 0.29 -0.34 -0.33 0.02 0.00 0.00 177.57 177.20 2qtf h GLU 21 N 1.11 0.00 0.00 1.57 5.08 -1.03 -2.16 114.58 119.15 2qtf h GLU 21 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2qtf h GLU 21 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2qtf h GLU 21 CO -0.04 0.34 0.00 0.41 -1.00 0.00 0.00 179.01 178.72 2qtf n GLY 22 N -0.37 -1.40 1.33 -3.84 0.00 -0.62 -0.81 105.19 99.49 2qtf n GLY 22 Ca -0.02 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.14 2qtf n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qtf n ALA 23 N -1.79 3.04 -2.39 4.61 0.00 -0.78 -4.66 120.51 118.54 2qtf n ALA 23 Ca 0.03 -1.25 -0.14 0.00 0.00 0.00 0.00 53.44 52.08 2qtf n ALA 23 Cb 0.28 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2qtf n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qtf n ASN 24 N 0.79 -4.29 -4.61 0.00 3.02 0.01 -4.90 115.26 105.27 2qtf n ASN 24 Ca 0.20 -0.06 -0.31 0.00 -0.03 0.00 0.00 54.58 54.38 2qtf n ASN 24 Cb 0.75 -3.39 -0.10 0.00 -0.61 0.00 0.00 39.78 36.44 2qtf n ASN 24 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2qtf s TYR 25 N -2.75 2.89 -0.17 3.10 2.02 -0.89 -4.01 117.35 117.54 2qtf s TYR 25 Ca 0.05 -0.05 -0.19 0.00 -0.37 0.00 0.00 57.07 56.51 2qtf s TYR 25 Cb -0.02 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 2qtf s TYR 25 CO 0.06 0.40 0.55 0.21 -1.57 0.00 0.00 175.55 175.21 2qtf s LYS 26 N -1.70 4.25 -0.44 -0.62 2.20 0.16 -3.82 119.74 119.77 2qtf s LYS 26 Ca 0.19 0.51 -0.28 0.00 -0.36 0.00 0.00 55.97 56.03 2qtf s LYS 26 Cb -0.11 -3.53 0.03 0.00 -1.51 0.00 0.00 37.83 32.70 2qtf s LYS 26 CO 0.10 -0.09 1.06 0.08 -0.36 0.00 0.00 175.35 176.15 2qtf s VAL 27 N 1.41 4.35 -0.55 4.02 1.01 -1.26 -0.08 120.40 129.30 2qtf s VAL 27 Ca 0.27 1.21 0.18 0.00 0.00 0.00 0.00 61.98 63.64 2qtf s VAL 27 Cb -0.16 -4.51 -0.23 0.00 0.00 0.00 0.00 36.38 31.49 2qtf s VAL 27 CO 0.11 -0.84 0.63 0.35 0.00 0.00 0.00 175.10 175.35 2qtf n THR 28 N 6.51 0.00 -3.65 3.92 -2.24 0.11 -4.90 114.28 114.03 2qtf n THR 28 Ca 0.10 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 2qtf n THR 28 Cb 0.48 0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 69.34 2qtf n THR 28 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qtf s SER 29 N -3.20 -0.21 -0.04 3.42 1.04 -1.18 -5.01 113.70 108.52 2qtf s SER 29 Ca 0.02 -0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.10 2qtf s SER 29 Cb 0.13 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.74 2qtf s SER 29 CO 0.74 -0.84 0.09 -0.63 0.98 0.00 0.00 173.24 173.59 2qtf s ILE 30 N -3.77 -0.03 0.05 -1.02 1.01 -1.26 -0.50 121.20 115.67 2qtf s ILE 30 Ca 0.03 0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.82 2qtf s ILE 30 Cb 0.02 -0.16 -0.03 0.00 0.01 0.00 0.00 42.46 42.31 2qtf s ILE 30 CO -0.12 0.05 -0.08 -0.31 0.00 0.00 0.00 174.94 174.48 2qtf s TYR 31 N 0.70 0.72 0.97 3.97 2.02 0.15 -4.97 117.35 120.91 2qtf s TYR 31 Ca -0.05 -0.55 -0.11 0.00 -0.37 0.00 0.00 57.07 55.99 2qtf s TYR 31 Cb -0.07 -0.43 0.17 0.00 -0.40 0.00 0.00 41.96 41.23 2qtf s TYR 31 CO -0.03 -0.08 1.09 0.15 -1.57 0.00 0.00 175.55 175.11 2qtf s LYS 32 N -1.85 0.62 0.62 -0.62 1.02 -1.26 -1.24 119.74 117.04 2qtf s LYS 32 Ca -0.07 1.11 -0.18 0.00 0.02 0.00 0.00 55.97 56.85 2qtf s LYS 32 Cb -0.08 -1.71 -0.02 0.00 -0.52 0.00 0.00 37.83 35.50 2qtf s LYS 32 CO -0.00 -2.76 1.22 -0.51 -0.92 0.00 0.00 175.35 172.37 2qtf s LEU 33 N -6.62 3.59 0.33 3.17 1.43 -1.23 -4.44 118.68 114.91 2qtf s LEU 33 Ca 0.66 2.41 -0.29 0.00 -1.03 0.00 0.00 54.13 55.88 2qtf s LEU 33 Cb -0.22 -4.60 -0.10 0.00 0.03 0.00 0.00 46.19 41.30 2qtf s LEU 33 CO 0.59 -1.77 1.32 -2.16 0.23 0.00 0.00 176.35 174.56 2qtf s PRO 34 N -3.45 4.34 0.11 1.29 0.04 -1.26 -4.91 135.00 131.16 2qtf s PRO 34 Ca 0.78 2.23 -0.31 0.00 0.04 0.00 0.00 61.00 63.74 2qtf s PRO 34 Cb -0.31 -3.07 -0.11 0.00 0.04 0.00 0.00 34.50 31.05 2qtf s PRO 34 CO 0.36 -0.21 1.60 0.87 0.04 0.00 0.00 177.00 179.67 2qtf h LYS 35 N 3.40 -0.66 -4.67 4.56 6.56 -1.97 -3.36 116.57 120.44 2qtf h LYS 35 Ca -0.49 0.05 -0.67 0.00 -1.06 0.00 0.00 60.65 58.48 2qtf h LYS 35 Cb 1.23 0.15 -0.39 0.00 -0.57 0.00 0.00 32.23 32.65 2qtf h LYS 35 CO 0.66 -0.44 -0.69 -1.54 -2.06 0.00 0.00 179.45 175.37 2qtf s SER 36 N -4.66 4.84 0.48 0.86 1.04 -1.26 -5.09 113.70 109.91 2qtf s SER 36 Ca -0.16 -2.08 -0.24 0.00 0.48 0.00 0.00 55.95 53.95 2qtf s SER 36 Cb 0.07 -1.66 -0.08 0.00 0.10 0.00 0.00 66.02 64.45 2qtf s SER 36 CO 0.63 -0.40 1.38 -2.65 0.98 0.00 0.00 173.24 173.18 2qtf n PRO 37 N 4.33 2.02 -2.40 4.02 -0.02 -1.26 -4.94 135.00 136.75 2qtf n PRO 37 Ca 0.02 0.72 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 2qtf n PRO 37 Cb 0.42 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 2qtf n PRO 37 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2qtf s ASN 38 N -0.62 7.11 0.32 2.55 3.84 0.70 -4.88 114.94 123.96 2qtf s ASN 38 Ca 0.64 2.17 0.01 0.00 0.21 0.00 0.00 52.86 55.90 2qtf s ASN 38 Cb -0.45 -2.60 0.53 0.00 -0.55 0.00 0.00 41.25 38.18 2qtf s ASN 38 CO 0.55 -0.38 1.90 0.58 -2.79 0.00 0.00 177.10 176.97 2qtf h VAL 39 N 3.91 1.20 0.07 -5.21 2.07 -1.92 0.25 116.25 116.62 2qtf h VAL 39 Ca -0.44 -0.61 -0.25 0.00 0.82 0.00 0.00 66.70 66.22 2qtf h VAL 39 Cb 1.21 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2qtf h VAL 39 CO 0.76 0.24 -1.32 0.11 0.02 0.00 0.00 177.57 177.38 2qtf h LYS 40 N 0.76 0.15 -0.01 1.57 1.57 -1.93 -3.43 116.57 115.25 2qtf h LYS 40 Ca 0.18 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2qtf h LYS 40 Cb 0.16 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2qtf h LYS 40 CO -0.02 1.12 -0.05 1.19 -0.57 0.00 0.00 179.45 181.12 2qtf n PHE 41 N -4.09 0.00 0.00 -1.35 3.72 -1.14 -4.14 117.46 110.46 2qtf n PHE 41 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 2qtf n PHE 41 Cb 0.82 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.36 2qtf n PHE 41 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2qtf n TYR 42 N 0.30 0.00 -1.67 1.38 9.36 0.87 -4.75 117.16 122.65 2qtf n TYR 42 Ca 0.05 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.98 2qtf n TYR 42 Cb 0.22 0.00 0.13 0.00 -0.63 0.00 0.00 39.34 39.06 2qtf n TYR 42 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 2qtf s ILE 43 N 0.00 1.98 0.43 2.97 -4.36 -1.26 -0.22 121.20 120.74 2qtf s ILE 43 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 60.65 60.16 2qtf s ILE 43 Cb 0.00 -2.84 -0.09 0.00 1.25 0.00 0.00 42.46 40.78 2qtf s ILE 43 CO 0.00 0.00 1.06 -1.10 0.24 0.00 0.00 174.94 175.14 2qtf s GLN 44 N -5.44 4.02 0.24 0.37 -1.52 -1.26 -4.43 119.66 111.63 2qtf s GLN 44 Ca 0.65 1.52 -0.05 0.00 -1.95 0.00 0.00 55.36 55.52 2qtf s GLN 44 Cb -0.12 -2.42 0.26 0.00 -0.22 0.00 0.00 33.01 30.51 2qtf s GLN 44 CO 0.52 -0.27 1.83 -0.92 -0.25 0.00 0.00 175.29 176.20 2qtf h TYR 45 N 2.21 1.13 -0.46 0.91 3.20 -1.95 -1.19 116.97 120.82 2qtf h TYR 45 Ca -0.49 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.21 2qtf h TYR 45 Cb 1.22 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2qtf h TYR 45 CO 0.57 0.83 -0.15 0.38 -1.64 0.00 0.00 178.16 178.15 2qtf h ASP 46 N 1.11 0.93 -0.89 -2.11 3.04 -1.99 -1.34 116.42 115.18 2qtf h ASP 46 Ca 0.26 -0.38 0.03 0.00 -3.24 0.00 0.00 57.03 53.70 2qtf h ASP 46 Cb 0.15 -0.26 -0.05 0.00 -1.04 0.00 0.00 39.33 38.13 2qtf h ASP 46 CO -0.03 1.10 0.58 0.50 -2.04 0.00 0.00 179.24 179.35 2qtf h LYS 47 N 0.76 1.10 -0.89 4.15 1.63 -1.88 -1.19 116.57 120.26 2qtf h LYS 47 Ca 0.11 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.86 2qtf h LYS 47 Cb 0.71 -0.25 -0.05 0.00 -0.60 0.00 0.00 32.23 32.05 2qtf h LYS 47 CO 0.05 0.73 0.58 1.25 -3.45 0.00 0.00 179.45 178.62 2qtf h LEU 48 N 1.14 0.99 -0.64 5.20 5.85 -0.82 -0.88 115.31 126.14 2qtf h LEU 48 Ca 0.35 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.92 2qtf h LEU 48 Cb -0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 2qtf h LEU 48 CO -0.11 0.70 -0.31 1.56 -0.34 0.00 0.00 178.44 179.95 2qtf h GLN 49 N 1.16 0.73 -0.07 1.25 1.08 -0.69 0.13 115.11 118.70 2qtf h GLN 49 Ca 0.34 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2qtf h GLN 49 Cb -0.08 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2qtf h GLN 49 CO -0.08 0.94 0.02 1.96 -0.95 0.00 0.00 178.83 180.72 2qtf h GLN 50 N 0.62 0.10 -0.73 1.46 4.20 -0.66 -2.48 115.11 117.62 2qtf h GLN 50 Ca 0.07 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 2qtf h GLN 50 Cb 0.83 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 2qtf h GLN 50 CO 0.07 0.27 0.30 0.82 -0.67 0.00 0.00 178.83 179.61 2qtf h ILE 51 N -0.08 1.25 -0.89 2.54 2.04 -1.06 -1.93 117.51 119.38 2qtf h ILE 51 Ca 0.02 -0.77 0.16 0.00 1.00 0.00 0.00 64.86 65.27 2qtf h ILE 51 Cb 0.21 0.40 -0.10 0.00 -0.74 0.00 0.00 36.82 36.58 2qtf h ILE 51 CO -0.00 0.31 0.48 0.50 0.00 0.00 0.00 178.15 179.44 2qtf h LYS 52 N 1.04 0.63 -0.16 2.37 3.64 -0.64 -2.77 116.57 120.67 2qtf h LYS 52 Ca 0.24 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2qtf h LYS 52 Cb 0.20 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2qtf h LYS 52 CO -0.02 0.42 0.00 0.09 -2.27 0.00 0.00 179.45 177.66 2qtf n ASN 53 N -4.85 2.98 -4.44 4.20 3.02 -0.94 -4.85 115.26 110.37 2qtf n ASN 53 Ca 0.19 -1.95 -0.44 0.00 -0.03 0.00 0.00 54.58 52.35 2qtf n ASN 53 Cb 0.48 -0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 39.48 2qtf n ASN 53 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qtf s ASP 54 N -1.80 6.19 0.56 6.41 -1.08 -0.76 -4.92 116.67 121.26 2qtf s ASP 54 Ca 0.33 -0.96 0.36 0.00 -0.52 0.00 0.00 52.55 51.75 2qtf s ASP 54 Cb 0.21 -2.24 1.63 0.00 -1.46 0.00 0.00 42.92 41.06 2qtf s ASP 54 CO 0.31 -0.73 2.06 -0.33 0.52 0.00 0.00 175.17 177.00 2qtf h GLU 55 N 8.84 0.00 -0.11 4.34 5.08 -1.88 -1.26 114.58 129.60 2qtf h GLU 55 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2qtf h GLU 55 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2qtf h GLU 55 CO 0.89 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.29 2qtf n GLU 56 N -3.00 1.36 -4.02 2.33 1.02 -1.26 -4.73 120.64 112.34 2qtf n GLU 56 Ca -0.00 -0.55 -0.31 0.00 -0.02 0.00 0.00 57.16 56.28 2qtf n GLU 56 Cb 0.23 -1.27 -0.16 0.00 -0.02 0.00 0.00 31.44 30.22 2qtf n GLU 56 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2qtf s ILE 57 N -1.86 1.79 -0.24 -3.67 1.01 -0.48 -4.73 121.20 113.02 2qtf s ILE 57 Ca 0.24 -1.18 0.21 0.00 0.00 0.00 0.00 60.65 59.93 2qtf s ILE 57 Cb 0.12 -1.87 0.03 0.00 0.01 0.00 0.00 42.46 40.75 2qtf s ILE 57 CO 0.19 0.12 1.11 0.77 0.00 0.00 0.00 174.94 177.13 2qtf h SER 58 N 7.92 0.00 -3.80 3.58 4.64 -1.73 -3.46 113.55 120.70 2qtf h SER 58 Ca -0.26 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.93 2qtf h SER 58 Cb 1.08 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.93 2qtf h SER 58 CO 0.48 0.11 -0.27 -0.89 -0.87 0.00 0.00 176.83 175.39 2qtf s THR 59 N -3.26 -0.00 -0.21 2.95 2.01 -0.97 -3.63 115.64 112.53 2qtf s THR 59 Ca 0.00 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.90 2qtf s THR 59 Cb 0.09 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 2qtf s THR 59 CO 0.77 0.01 0.22 -0.22 -0.69 0.00 0.00 174.62 174.70 2qtf s LEU 60 N 0.35 4.17 -0.13 4.42 2.96 -0.09 -1.55 118.68 128.82 2qtf s LEU 60 Ca -0.01 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 2qtf s LEU 60 Cb -0.03 -2.22 0.01 0.00 0.50 0.00 0.00 46.19 44.45 2qtf s LEU 60 CO -0.01 0.08 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.28 2qtf s ILE 61 N 0.80 1.82 -0.24 6.68 1.01 -0.11 -1.14 121.20 130.02 2qtf s ILE 61 Ca 0.11 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 2qtf s ILE 61 Cb -0.13 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.73 2qtf s ILE 61 CO 0.03 0.50 -0.06 -0.63 0.00 0.00 0.00 174.94 174.79 2qtf s ILE 62 N 0.89 2.98 -1.40 2.92 1.01 -0.31 -1.08 121.20 126.21 2qtf s ILE 62 Ca -0.07 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 2qtf s ILE 62 Cb -0.15 -2.48 0.08 0.00 0.01 0.00 0.00 42.46 39.92 2qtf s ILE 62 CO -0.02 0.24 2.09 0.33 0.00 0.00 0.00 174.94 177.58 2qtf n PHE 63 N 4.70 3.48 -3.84 3.97 7.35 0.86 -2.60 117.46 131.39 2qtf n PHE 63 Ca -0.17 -2.93 -0.07 0.00 -0.76 0.00 0.00 57.45 53.52 2qtf n PHE 63 Cb 0.48 -2.39 -0.00 0.00 0.35 0.00 0.00 39.48 37.91 2qtf n PHE 63 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2qtf s GLU 64 N 2.47 1.90 -0.25 -4.13 -6.30 -1.26 -4.79 118.70 106.34 2qtf s GLU 64 Ca 0.45 -1.13 -0.15 0.00 -2.50 0.00 0.00 54.97 51.64 2qtf s GLU 64 Cb 0.12 0.60 -0.04 0.00 0.00 0.00 0.00 34.13 34.81 2qtf s GLU 64 CO -0.05 -0.88 0.39 -1.14 0.02 0.00 0.00 175.26 173.60 2qtf s GLN 65 N -3.24 4.06 0.17 4.30 0.74 -1.26 -1.08 119.66 123.34 2qtf s GLN 65 Ca 0.13 0.10 -0.24 0.00 0.05 0.00 0.00 55.36 55.40 2qtf s GLN 65 Cb -0.05 -3.63 -0.08 0.00 1.10 0.00 0.00 33.01 30.35 2qtf s GLN 65 CO 0.08 -0.23 0.75 -0.51 -0.55 0.00 0.00 175.29 174.83 2qtf s LEU 66 N 1.92 4.55 0.65 3.68 1.43 -1.26 -5.03 118.68 124.63 2qtf s LEU 66 Ca 0.16 1.58 -0.16 0.00 -1.03 0.00 0.00 54.13 54.69 2qtf s LEU 66 Cb -0.15 -3.30 -0.00 0.00 0.03 0.00 0.00 46.19 42.76 2qtf s LEU 66 CO 0.09 0.19 1.14 -0.54 0.23 0.00 0.00 176.35 177.47 2qtf s LYS 67 N -1.26 2.75 0.28 1.70 1.02 -1.26 -4.89 119.74 118.07 2qtf s LYS 67 Ca 0.36 1.55 0.01 0.00 0.02 0.00 0.00 55.97 57.90 2qtf s LYS 67 Cb -0.22 -1.93 0.56 0.00 -0.52 0.00 0.00 37.83 35.72 2qtf s LYS 67 CO 0.25 -1.32 1.80 -1.35 -0.92 0.00 0.00 175.35 173.81 2qtf h PRO 68 N 0.21 0.79 0.00 -1.68 0.11 -1.97 -0.73 132.00 128.73 2qtf h PRO 68 Ca -0.48 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 2qtf h PRO 68 Cb 1.26 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2qtf h PRO 68 CO 0.54 0.52 -0.37 0.07 -0.21 0.00 0.00 178.00 178.55 2qtf h ARG 69 N 0.81 0.00 -0.06 1.05 0.11 -1.93 -0.84 114.38 113.52 2qtf h ARG 69 Ca 0.49 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.57 2qtf h ARG 69 Cb 0.60 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.68 2qtf h ARG 69 CO -0.31 0.37 0.03 0.45 0.10 0.00 0.00 179.97 180.60 2qtf h HIS 70 N 0.00 0.09 -0.54 4.08 3.86 -1.31 -2.08 115.15 119.25 2qtf h HIS 70 Ca -0.00 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 2qtf h HIS 70 Cb 0.66 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 29.04 2qtf h HIS 70 CO 0.00 0.19 0.15 0.74 0.86 0.00 0.00 177.93 179.87 2qtf h PHE 71 N -0.04 0.25 -0.49 2.45 0.04 -0.81 0.59 116.94 118.93 2qtf h PHE 71 Ca 0.02 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.86 2qtf h PHE 71 Cb 0.14 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 2qtf h PHE 71 CO -0.03 0.03 0.25 0.82 -0.60 0.00 0.00 178.31 178.79 2qtf h ILE 72 N 0.30 0.98 -0.00 -0.55 2.04 -1.00 -0.96 117.51 118.31 2qtf h ILE 72 Ca 0.27 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.85 2qtf h ILE 72 Cb 0.36 0.43 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2qtf h ILE 72 CO -0.32 0.09 -0.43 0.78 0.00 0.00 0.00 178.15 178.27 2qtf h ASN 73 N 0.50 0.39 -0.39 1.72 -0.26 -1.11 -2.52 115.58 113.90 2qtf h ASN 73 Ca 0.21 -0.76 0.02 0.00 -0.56 0.00 0.00 56.30 55.21 2qtf h ASN 73 Cb 0.10 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.22 2qtf h ASN 73 CO -0.14 1.10 0.21 0.40 -1.06 0.00 0.00 177.43 177.94 2qtf h ILE 74 N -0.29 1.01 -0.43 2.81 2.04 -0.90 -2.54 117.51 119.22 2qtf h ILE 74 Ca -0.05 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 2qtf h ILE 74 Cb 1.16 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2qtf h ILE 74 CO 0.09 0.08 -0.03 0.03 0.00 0.00 0.00 178.15 178.32 2qtf h ARG 75 N 0.43 0.71 0.03 2.37 3.08 -1.21 -1.53 114.38 118.27 2qtf h ARG 75 Ca 0.16 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2qtf h ARG 75 Cb 0.04 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2qtf h ARG 75 CO -0.09 0.74 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.45 2qtf h ARG 76 N 0.66 -0.04 -0.37 0.04 2.43 -1.28 -2.92 114.38 112.91 2qtf h ARG 76 Ca 0.13 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2qtf h ARG 76 Cb 0.45 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2qtf h ARG 76 CO 0.02 0.01 0.07 0.93 -1.51 0.00 0.00 179.97 179.50 2qtf h GLU 77 N -0.08 0.54 0.00 0.20 4.39 -1.13 -2.32 114.58 116.18 2qtf h GLU 77 Ca -0.00 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2qtf h GLU 77 Cb 0.07 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2qtf h GLU 77 CO 0.01 0.51 0.00 1.28 -1.16 0.00 0.00 179.01 179.65 2qtf n LEU 78 N -4.33 0.73 -3.64 1.33 4.77 -0.60 -4.90 117.00 110.36 2qtf n LEU 78 Ca 0.02 0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 56.36 2qtf n LEU 78 Cb 0.20 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2qtf n LEU 78 CO 0.38 -0.20 -0.09 0.29 -1.33 0.00 0.00 177.39 176.44 2qtf n LYS 79 N -2.19 -1.36 0.00 3.23 5.02 -0.88 -2.23 118.16 119.76 2qtf n LYS 79 Ca 0.05 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 2qtf n LYS 79 Cb 0.40 -3.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.13 2qtf n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qtf n GLY 80 N -1.72 2.64 3.71 0.72 0.00 -1.26 -5.04 105.19 104.24 2qtf n GLY 80 Ca -0.21 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 2qtf n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qtf n LYS 81 N 0.00 1.54 -3.18 1.61 5.02 -0.95 -4.95 118.16 117.25 2qtf n LYS 81 Ca 0.00 0.57 -0.37 0.00 -2.02 0.00 0.00 58.31 56.49 2qtf n LYS 81 Cb 0.00 -2.45 -0.06 0.00 -0.02 0.00 0.00 35.03 32.50 2qtf n LYS 81 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2qtf s GLU 82 N -2.75 4.23 -0.06 1.97 2.12 -1.24 -4.78 118.70 118.19 2qtf s GLU 82 Ca 0.71 0.80 0.06 0.00 0.36 0.00 0.00 54.97 56.89 2qtf s GLU 82 Cb -0.44 -3.02 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 2qtf s GLU 82 CO 0.50 0.49 -0.23 0.54 -0.54 0.00 0.00 175.26 176.01 2qtf s VAL 83 N -1.37 2.19 -0.08 3.70 0.11 -1.26 -0.91 120.40 122.78 2qtf s VAL 83 Ca 0.38 -1.02 0.04 0.00 -2.93 0.00 0.00 61.98 58.46 2qtf s VAL 83 Cb -0.18 -1.81 -0.01 0.00 -1.53 0.00 0.00 36.38 32.86 2qtf s VAL 83 CO 0.21 0.57 -0.22 -0.76 -3.33 0.00 0.00 175.10 171.57 2qtf s LEU 84 N -0.17 2.22 0.00 2.54 1.43 -0.29 -4.98 118.68 119.43 2qtf s LEU 84 Ca -0.03 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 2qtf s LEU 84 Cb -0.14 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.65 2qtf s LEU 84 CO 0.04 0.21 0.00 -0.90 0.23 0.00 0.00 176.35 175.93 2qtf n ASP 85 N 3.16 0.00 -0.02 2.29 5.75 -1.26 -1.16 116.55 125.31 2qtf n ASP 85 Ca -0.18 -0.62 -0.06 0.00 -0.01 0.00 0.00 54.79 53.92 2qtf n ASP 85 Cb 0.52 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.75 2qtf n ASP 85 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2qtf h LYS 86 N 0.00 0.57 0.32 0.11 3.64 -0.84 0.67 116.57 121.04 2qtf h LYS 86 Ca 0.00 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 2qtf h LYS 86 Cb 0.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2qtf h LYS 86 CO 0.00 0.82 -0.15 0.82 -2.27 0.00 0.00 179.45 178.66 2qtf h ILE 87 N 0.49 0.70 -0.18 2.00 2.04 -1.91 -2.08 117.51 118.58 2qtf h ILE 87 Ca 0.06 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 2qtf h ILE 87 Cb 0.78 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2qtf h ILE 87 CO 0.06 0.08 -0.14 -0.07 0.00 0.00 0.00 178.15 178.08 2qtf h LEU 88 N -0.66 0.27 -0.09 1.44 3.38 -1.89 -1.48 115.31 116.28 2qtf h LEU 88 Ca -0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2qtf h LEU 88 Cb 0.47 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2qtf h LEU 88 CO 0.07 0.44 0.03 0.25 0.09 0.00 0.00 178.44 179.33 2qtf h LEU 89 N 0.27 0.12 -0.77 1.67 5.85 -0.82 0.03 115.31 121.66 2qtf h LEU 89 Ca 0.05 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 2qtf h LEU 89 Cb 0.42 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2qtf h LEU 89 CO 0.03 0.25 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.00 2qtf h LEU 90 N -0.02 0.60 -1.02 2.25 3.38 -1.13 -1.83 115.31 117.54 2qtf h LEU 90 Ca 0.03 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2qtf h LEU 90 Cb 0.17 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2qtf h LEU 90 CO -0.00 0.87 0.27 -0.07 0.09 0.00 0.00 178.44 179.61 2qtf h LEU 91 N 0.50 0.89 -0.52 1.67 3.38 -1.11 -1.32 115.31 118.80 2qtf h LEU 91 Ca 0.06 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2qtf h LEU 91 Cb 0.79 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 2qtf h LEU 91 CO 0.06 0.79 0.26 -0.08 0.09 0.00 0.00 178.44 179.56 2qtf h GLU 92 N 0.96 0.49 -0.62 1.13 4.57 -0.57 -0.07 114.58 120.47 2qtf h GLU 92 Ca 0.23 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.45 2qtf h GLU 92 Cb 0.17 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.59 2qtf h GLU 92 CO -0.02 0.32 0.30 0.82 -1.18 0.00 0.00 179.01 179.25 2qtf h ILE 93 N 0.50 0.88 -0.25 2.32 2.04 -0.96 -1.27 117.51 120.78 2qtf h ILE 93 Ca 0.23 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 2qtf h ILE 93 Cb 0.14 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2qtf h ILE 93 CO -0.16 0.10 0.03 -0.26 0.00 0.00 0.00 178.15 177.86 2qtf h PHE 94 N 0.54 0.45 -0.97 1.37 0.04 -0.92 -1.93 116.94 115.53 2qtf h PHE 94 Ca 0.29 -0.07 0.05 0.00 2.80 0.00 0.00 57.97 61.05 2qtf h PHE 94 Cb 0.27 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.23 2qtf h PHE 94 CO -0.12 0.55 0.63 0.00 -0.60 0.00 0.00 178.31 178.77 2qtf h ALA 95 N 0.85 1.41 0.00 2.45 0.00 -0.57 1.00 119.26 124.40 2qtf h ALA 95 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qtf h ALA 95 Cb 0.34 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qtf h ALA 95 CO 0.01 0.47 -0.02 -0.07 0.00 0.00 0.00 179.25 179.63 2qtf h LEU 96 N 1.17 0.00 -0.13 0.00 3.38 -0.84 -3.28 115.31 115.60 2qtf h LEU 96 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2qtf h LEU 96 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2qtf h LEU 96 CO -0.14 0.02 -0.62 1.41 0.09 0.00 0.00 178.44 179.20 2qtf n HIS 97 N -3.11 0.00 -3.04 1.13 8.25 -0.34 -3.50 115.22 114.61 2qtf n HIS 97 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 2qtf n HIS 97 Cb 0.42 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.48 2qtf n HIS 97 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qtf s ALA 98 N -2.26 3.36 -0.26 -1.41 0.00 0.20 -4.73 121.76 116.66 2qtf s ALA 98 Ca 0.06 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.23 2qtf s ALA 98 Cb 0.11 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 2qtf s ALA 98 CO 0.55 -0.02 0.34 0.41 0.00 0.00 0.00 175.76 177.04 2qtf n GLY 99 N 2.81 -0.11 3.91 0.00 0.00 -1.26 -4.37 105.19 106.16 2qtf n GLY 99 Ca -0.02 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 2qtf n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qtf s SER 100 N -0.83 6.42 0.16 1.61 1.04 -1.26 -5.00 113.70 115.83 2qtf s SER 100 Ca 0.02 0.73 -0.10 0.00 0.48 0.00 0.00 55.95 57.08 2qtf s SER 100 Cb 0.02 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 64.00 2qtf s SER 100 CO 0.08 -0.25 1.54 0.50 0.98 0.00 0.00 173.24 176.09 2qtf h LYS 101 N 1.41 1.00 -0.85 4.02 3.64 -1.99 -1.88 116.57 121.92 2qtf h LYS 101 Ca -0.48 -0.44 -0.03 0.00 -1.27 0.00 0.00 60.65 58.44 2qtf h LYS 101 Cb 1.19 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 2qtf h LYS 101 CO 0.65 1.11 0.42 1.49 -2.27 0.00 0.00 179.45 180.86 2qtf h GLU 102 N 0.85 1.21 -0.18 1.90 4.81 -1.98 -1.30 114.58 119.89 2qtf h GLU 102 Ca 0.10 -0.17 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 2qtf h GLU 102 Cb 0.82 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.98 2qtf h GLU 102 CO 0.07 0.92 -0.55 0.00 -0.73 0.00 0.00 179.01 178.72 2qtf h ALA 103 N 1.23 0.31 -0.96 2.92 0.00 -1.83 -1.38 119.26 119.54 2qtf h ALA 103 Ca 0.29 -0.52 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2qtf h ALA 103 Cb 0.10 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 2qtf h ALA 103 CO -0.04 0.52 0.62 0.87 0.00 0.00 0.00 179.25 181.23 2qtf h LYS 104 N 0.38 1.16 -0.59 0.00 1.79 -1.06 0.17 116.57 118.43 2qtf h LYS 104 Ca -0.02 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.34 2qtf h LYS 104 Cb 1.18 -0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 31.54 2qtf h LYS 104 CO 0.12 0.77 0.20 0.52 -1.08 0.00 0.00 179.45 179.98 2qtf h MET 105 N 1.20 0.91 -0.35 3.15 2.86 -1.11 -1.51 114.93 120.08 2qtf h MET 105 Ca 0.39 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.75 2qtf h MET 105 Cb 0.02 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 2qtf h MET 105 CO -0.13 0.80 -0.18 1.96 1.06 0.00 0.00 176.91 180.42 2qtf h GLN 106 N 0.83 0.64 -0.31 1.72 1.08 -0.35 -0.35 115.11 118.36 2qtf h GLN 106 Ca 0.19 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 57.10 2qtf h GLN 106 Cb 0.26 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2qtf h GLN 106 CO -0.01 0.79 -0.05 0.82 -0.95 0.00 0.00 178.83 179.43 2qtf h ILE 107 N 0.57 1.27 -0.57 2.54 2.04 -0.95 -1.30 117.51 121.12 2qtf h ILE 107 Ca 0.09 -1.07 -0.10 0.00 1.00 0.00 0.00 64.86 64.78 2qtf h ILE 107 Cb 0.63 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 2qtf h ILE 107 CO 0.04 0.34 -0.05 -0.08 0.00 0.00 0.00 178.15 178.41 2qtf h GLU 108 N 0.37 1.04 -0.26 2.37 4.81 -1.13 -0.78 114.58 121.01 2qtf h GLU 108 Ca 0.08 -0.36 0.05 0.00 -0.13 0.00 0.00 59.36 59.01 2qtf h GLU 108 Cb 0.53 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 2qtf h GLU 108 CO 0.03 1.05 -0.05 1.25 -0.73 0.00 0.00 179.01 180.55 2qtf h LEU 109 N 0.93 -0.21 -0.65 1.64 5.85 -1.02 -0.29 115.31 121.56 2qtf h LEU 109 Ca 0.16 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 2qtf h LEU 109 Cb 0.61 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2qtf h LEU 109 CO 0.04 -0.07 0.29 0.00 -0.34 0.00 0.00 178.44 178.35 2qtf h ALA 110 N 1.25 0.84 -0.23 1.25 0.00 -0.95 -0.88 119.26 120.53 2qtf h ALA 110 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qtf h ALA 110 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qtf h ALA 110 CO -0.25 0.43 0.14 0.00 0.00 0.00 0.00 179.25 179.57 2qtf h ARG 111 N 0.90 0.31 -0.38 0.00 3.08 -0.86 -1.31 114.38 116.11 2qtf h ARG 111 Ca 0.22 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.28 2qtf h ARG 111 Cb 0.16 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2qtf h ARG 111 CO -0.02 0.23 0.16 -0.07 -1.07 0.00 0.00 179.97 179.19 2qtf h LEU 112 N 0.29 0.20 -1.15 3.04 3.38 -0.87 -1.90 115.31 118.31 2qtf h LEU 112 Ca 0.08 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2qtf h LEU 112 Cb -0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2qtf h LEU 112 CO -0.02 0.15 0.23 0.11 0.09 0.00 0.00 178.44 179.01 2qtf h LYS 113 N 0.33 0.84 0.00 1.13 1.57 -1.12 -2.40 116.57 116.92 2qtf h LYS 113 Ca 0.17 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 2qtf h LYS 113 Cb 0.11 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2qtf h LYS 113 CO -0.15 0.68 -0.40 -0.92 -0.57 0.00 0.00 179.45 178.10 2qtf h TYR 114 N 0.83 0.00 0.00 -1.35 3.20 -0.90 -2.85 116.97 115.89 2qtf h TYR 114 Ca 0.20 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.94 2qtf h TYR 114 Cb 0.16 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2qtf h TYR 114 CO 0.01 0.40 -0.60 0.93 -1.64 0.00 0.00 178.16 177.26 2qtf h GLU 115 N 0.00 0.00 -0.48 1.82 4.39 -0.88 -3.37 114.58 116.06 2qtf h GLU 115 Ca -0.00 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.79 2qtf h GLU 115 Cb 0.73 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.31 2qtf h GLU 115 CO 0.05 0.60 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.43 2qtf h LEU 116 N 0.00 -0.21 -1.81 1.33 3.38 -1.21 -1.43 115.31 115.36 2qtf h LEU 116 Ca -0.01 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2qtf h LEU 116 Cb 1.33 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 2qtf h LEU 116 CO 0.08 -0.07 -0.11 -0.65 0.09 0.00 0.00 178.44 177.78 2qtf h PRO 117 N 0.11 0.00 -0.10 1.13 0.11 -1.75 -0.96 132.00 130.53 2qtf h PRO 117 Ca 0.24 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.32 2qtf h PRO 117 Cb 0.36 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 2qtf h PRO 117 CO -0.41 0.11 -0.06 0.82 -0.21 0.00 0.00 178.00 178.26 2qtf h ILE 118 N 0.00 1.33 -0.59 4.15 2.04 -1.49 -2.14 117.51 120.81 2qtf h ILE 118 Ca -0.00 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.76 2qtf h ILE 118 Cb 0.20 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 2qtf h ILE 118 CO 0.01 0.31 0.37 0.40 0.00 0.00 0.00 178.15 179.25 2qtf h ILE 119 N -0.15 1.16 -0.83 -0.67 2.04 -0.96 -1.59 117.51 116.51 2qtf h ILE 119 Ca 0.02 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.57 2qtf h ILE 119 Cb 0.52 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 2qtf h ILE 119 CO 0.02 0.16 0.54 0.11 0.00 0.00 0.00 178.15 178.98 2qtf h LYS 120 N 0.79 1.05 0.00 2.37 1.57 -1.20 -0.26 116.57 120.90 2qtf h LYS 120 Ca 0.21 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2qtf h LYS 120 Cb -0.06 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.02 2qtf h LYS 120 CO -0.04 0.70 -0.02 0.93 -0.57 0.00 0.00 179.45 180.45 2qtf h GLU 121 N 1.08 0.00 0.00 3.15 4.39 -1.05 -3.51 114.58 118.64 2qtf h GLU 121 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 2qtf h GLU 121 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2qtf h GLU 121 CO -0.09 0.02 0.00 2.41 -1.16 0.00 0.00 179.01 180.18 2qtf n THR 122 N -3.15 0.00 0.00 1.13 -1.04 -0.11 -5.04 114.28 106.07 2qtf n THR 122 Ca -0.01 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2qtf n THR 122 Cb 0.22 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 2qtf n THR 122 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2qtf n SER 144 N -0.50 0.00 -0.10 8.00 2.88 -1.26 -5.11 113.62 117.53 2qtf n SER 144 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2qtf n SER 144 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 2qtf n SER 144 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2qtf h THR 145 N 0.00 1.28 -0.55 2.46 2.02 -2.00 -1.13 112.91 114.98 2qtf h THR 145 Ca 0.00 -1.53 0.05 0.00 0.77 0.00 0.00 66.41 65.70 2qtf h THR 145 Cb 0.00 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 2qtf h THR 145 CO 0.00 0.51 0.29 0.40 0.37 0.00 0.00 175.52 177.09 2qtf h ILE 146 N 0.72 0.97 -0.30 3.11 1.08 -1.97 -2.01 117.51 119.10 2qtf h ILE 146 Ca 0.07 -0.19 -0.13 0.00 -0.39 0.00 0.00 64.86 64.21 2qtf h ILE 146 Cb 0.93 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 2qtf h ILE 146 CO 0.09 0.10 -0.36 0.11 -0.69 0.00 0.00 178.15 177.40 2qtf h LYS 147 N 0.57 0.68 -0.31 2.37 1.57 -1.92 -2.17 116.57 117.35 2qtf h LYS 147 Ca 0.24 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2qtf h LYS 147 Cb 0.13 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2qtf h LYS 147 CO -0.16 0.93 0.11 0.35 -0.57 0.00 0.00 179.45 180.11 2qtf h PHE 148 N 0.57 0.19 -0.34 -1.35 3.57 -0.79 -1.11 116.94 117.67 2qtf h PHE 148 Ca 0.06 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2qtf h PHE 148 Cb 0.87 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 2qtf h PHE 148 CO 0.04 0.08 0.12 1.88 -2.23 0.00 0.00 178.31 178.20 2qtf h TYR 149 N 0.24 0.53 -0.96 0.41 -1.99 -1.26 -2.55 116.97 111.39 2qtf h TYR 149 Ca 0.14 -0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.86 2qtf h TYR 149 Cb 0.11 -0.16 -0.06 0.00 2.00 0.00 0.00 36.73 38.62 2qtf h TYR 149 CO -0.14 0.52 0.63 0.87 -0.00 0.00 0.00 178.16 180.04 2qtf h LYS 150 N 0.40 1.15 -0.67 4.88 1.57 -1.19 0.12 116.57 122.84 2qtf h LYS 150 Ca 0.11 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2qtf h LYS 150 Cb 0.22 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2qtf h LYS 150 CO -0.01 0.76 0.13 0.00 -0.57 0.00 0.00 179.45 179.77 2qtf h ARG 151 N 1.19 1.08 -0.54 3.15 3.08 -1.04 0.28 114.38 121.58 2qtf h ARG 151 Ca 0.39 -0.27 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 2qtf h ARG 151 Cb 0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2qtf h ARG 151 CO -0.13 0.98 0.05 -0.09 -1.07 0.00 0.00 179.97 179.71 2qtf h ARG 152 N 1.02 0.93 -0.43 0.04 9.65 -0.98 -1.52 114.38 123.08 2qtf h ARG 152 Ca 0.21 -0.27 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 2qtf h ARG 152 Cb 0.40 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 2qtf h ARG 152 CO 0.01 0.92 0.24 0.82 2.80 0.00 0.00 179.97 184.76 2qtf h ILE 153 N 0.81 1.15 -0.71 1.20 2.04 -0.40 -1.42 117.51 120.18 2qtf h ILE 153 Ca 0.16 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 2qtf h ILE 153 Cb 0.47 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2qtf h ILE 153 CO 0.02 0.15 0.23 0.78 0.00 0.00 0.00 178.15 179.34 2qtf h ASN 154 N 0.56 1.00 -0.17 1.72 2.35 -0.38 -1.02 115.58 119.64 2qtf h ASN 154 Ca 0.15 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2qtf h ASN 154 Cb 0.03 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 2qtf h ASN 154 CO -0.03 0.93 -0.03 0.50 -1.65 0.00 0.00 177.43 177.15 2qtf h LYS 155 N 1.04 0.02 -0.23 0.81 3.64 -1.16 -0.65 116.57 120.04 2qtf h LYS 155 Ca 0.23 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2qtf h LYS 155 Cb 0.27 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2qtf h LYS 155 CO -0.01 0.01 0.13 -0.07 -2.27 0.00 0.00 179.45 177.24 2qtf h LEU 156 N 0.02 0.28 -0.60 5.20 3.38 -1.02 -0.70 115.31 121.87 2qtf h LEU 156 Ca 0.08 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.03 2qtf h LEU 156 Cb 0.12 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2qtf h LEU 156 CO -0.16 0.27 0.34 0.24 0.09 0.00 0.00 178.44 179.21 2qtf h MET 157 N 0.27 0.63 0.08 1.13 2.86 -1.10 0.28 114.93 119.08 2qtf h MET 157 Ca 0.08 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2qtf h MET 157 Cb 0.04 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.51 2qtf h MET 157 CO -0.01 0.42 -0.46 0.87 1.06 0.00 0.00 176.91 178.78 2qtf h LYS 158 N 0.65 -0.64 -0.44 1.72 1.57 -0.99 -0.44 116.57 117.99 2qtf h LYS 158 Ca 0.26 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 2qtf h LYS 158 Cb 0.12 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2qtf h LYS 158 CO -0.15 -0.43 0.21 0.93 -0.57 0.00 0.00 179.45 179.44 2qtf h GLU 159 N -0.67 0.62 -0.47 3.15 5.08 -0.84 -1.96 114.58 119.48 2qtf h GLU 159 Ca 0.02 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2qtf h GLU 159 Cb 0.70 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2qtf h GLU 159 CO -0.28 0.49 0.15 -0.07 -1.00 0.00 0.00 179.01 178.30 2qtf h LEU 160 N 0.62 0.69 -1.41 1.33 3.38 -0.09 -0.51 115.31 119.31 2qtf h LEU 160 Ca 0.16 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2qtf h LEU 160 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2qtf h LEU 160 CO -0.02 0.71 0.04 -0.08 0.09 0.00 0.00 178.44 179.18 2qtf h GLU 161 N 0.63 0.43 0.00 1.13 4.57 -0.66 -1.23 114.58 119.45 2qtf h GLU 161 Ca 0.15 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2qtf h GLU 161 Cb 0.26 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2qtf h GLU 161 CO -0.01 0.42 -0.10 1.03 -1.18 0.00 0.00 179.01 179.18 2qtf h SER 162 N 0.42 0.00 -0.18 1.04 0.87 -0.98 -2.84 113.55 111.89 2qtf h SER 162 Ca 0.10 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.45 2qtf h SER 162 Cb 0.22 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2qtf h SER 162 CO 0.00 0.10 -0.70 0.40 -0.53 0.00 0.00 176.83 176.10 2qtf h ILE 163 N 0.00 1.28 -0.69 2.23 2.04 -0.34 -3.30 117.51 118.73 2qtf h ILE 163 Ca -0.00 -1.89 0.14 0.00 1.00 0.00 0.00 64.86 64.11 2qtf h ILE 163 Cb 1.00 1.86 -0.13 0.00 -0.74 0.00 0.00 36.82 38.81 2qtf h ILE 163 CO 0.01 0.61 -0.15 0.50 0.00 0.00 0.00 178.15 179.12 2qtf h LYS 164 N 0.58 0.01 -2.22 2.37 3.64 -1.00 -3.52 116.57 116.43 2qtf h LYS 164 Ca -0.03 -0.00 -0.78 0.00 -1.27 0.00 0.00 60.65 58.57 2qtf h LYS 164 Cb 1.32 -0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.88 2qtf h LYS 164 CO 0.15 0.01 1.17 -0.89 -2.27 0.00 0.00 179.45 177.61 2qtf n ILE 165 N -5.45 5.35 0.00 2.00 5.41 -1.19 -5.13 119.36 120.36 2qtf n ILE 165 Ca 0.09 -5.30 0.00 0.00 1.00 0.00 0.00 62.75 58.54 2qtf n ILE 165 Cb 0.36 -1.54 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 2qtf n ILE 165 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2qtf n ILE 179 N 0.07 0.00 -2.02 1.39 -5.35 -1.26 -5.05 119.36 107.13 2qtf n ILE 179 Ca 0.50 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.58 2qtf n ILE 179 Cb 0.26 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.16 2qtf n ILE 179 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2qtf s PRO 180 N 0.00 4.08 -0.13 6.28 0.04 -1.26 -4.73 135.00 139.28 2qtf s PRO 180 Ca 0.00 2.25 -0.02 0.00 0.04 0.00 0.00 61.00 63.26 2qtf s PRO 180 Cb 0.00 -2.87 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 2qtf s PRO 180 CO 0.00 -0.43 -0.05 -1.54 0.04 0.00 0.00 177.00 175.02 2qtf s SER 181 N -0.57 4.72 -0.21 6.66 1.04 -1.26 -0.85 113.70 123.23 2qtf s SER 181 Ca 0.54 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.87 2qtf s SER 181 Cb -0.40 -1.63 0.04 0.00 0.10 0.00 0.00 66.02 64.13 2qtf s SER 181 CO 0.53 0.22 -0.13 -0.63 0.98 0.00 0.00 173.24 174.20 2qtf s ILE 182 N 0.07 1.88 0.01 -1.02 1.01 0.11 -0.91 121.20 122.35 2qtf s ILE 182 Ca -0.01 -1.14 -0.17 0.00 0.00 0.00 0.00 60.65 59.32 2qtf s ILE 182 Cb -0.14 -1.89 -0.06 0.00 0.01 0.00 0.00 42.46 40.38 2qtf s ILE 182 CO 0.03 0.22 0.49 -0.83 0.00 0.00 0.00 174.94 174.85 2qtf s GLY 183 N 1.29 2.55 -0.26 6.18 0.00 -0.53 -0.94 107.32 115.62 2qtf s GLY 183 Ca -0.02 -0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.50 2qtf s GLY 183 CO -0.09 0.41 0.17 -0.42 0.00 0.00 0.00 173.10 173.18 2qtf s ILE 184 N -0.74 5.34 0.30 0.90 1.01 -0.51 -0.04 121.20 127.46 2qtf s ILE 184 Ca 0.27 0.18 0.05 0.00 0.00 0.00 0.00 60.65 61.14 2qtf s ILE 184 Cb -0.18 -3.51 -0.06 0.00 0.01 0.00 0.00 42.46 38.72 2qtf s ILE 184 CO 0.15 0.30 -0.00 0.68 0.00 0.00 0.00 174.94 176.08 2qtf s VAL 185 N 1.36 1.39 0.00 2.92 -7.23 -0.15 -3.01 120.40 115.68 2qtf s VAL 185 Ca 0.07 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 2qtf s VAL 185 Cb -0.15 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.19 2qtf s VAL 185 CO 0.07 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 2qtf n GLY 186 N -0.62 3.02 3.75 2.32 0.00 -1.26 -1.19 105.19 111.21 2qtf n GLY 186 Ca -0.04 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 2qtf n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qtf s TYR 187 N -2.00 2.42 0.24 1.61 1.51 -1.26 -1.70 117.35 118.17 2qtf s TYR 187 Ca 0.00 1.58 -0.29 0.00 -1.01 0.00 0.00 57.07 57.35 2qtf s TYR 187 Cb 0.00 -3.23 -0.15 0.00 -0.11 0.00 0.00 41.96 38.47 2qtf s TYR 187 CO 0.00 -1.98 0.96 2.41 -1.11 0.00 0.00 175.55 175.83 2qtf n THR 188 N -2.77 1.71 -1.58 -0.71 -1.04 -0.84 -1.92 114.28 107.13 2qtf n THR 188 Ca 0.11 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.05 61.57 2qtf n THR 188 Cb 0.52 -0.77 -0.04 0.00 -1.82 0.00 0.00 70.33 68.22 2qtf n THR 188 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2qtf n ASN 189 N 1.55 -4.26 -0.10 8.00 5.15 -1.26 -4.87 115.26 119.47 2qtf n ASN 189 Ca 0.13 0.21 0.12 0.00 -0.60 0.00 0.00 54.58 54.44 2qtf n ASN 189 Cb 0.29 -2.98 0.25 0.00 -0.53 0.00 0.00 39.78 36.80 2qtf n ASN 189 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2qtf n SER 190 N -0.01 0.77 0.00 1.20 3.41 -0.81 -4.89 113.62 113.29 2qtf n SER 190 Ca -0.12 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.92 2qtf n SER 190 Cb 0.45 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 2qtf n SER 190 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qtf n GLY 191 N 1.45 1.21 0.24 5.00 0.00 -1.26 -4.48 105.19 107.34 2qtf n GLY 191 Ca 0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 2qtf n GLY 191 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qtf h LYS 192 N 0.00 0.78 -0.59 1.61 1.57 -1.92 0.49 116.57 118.51 2qtf h LYS 192 Ca 0.00 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 2qtf h LYS 192 Cb 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2qtf h LYS 192 CO 0.00 0.60 0.03 1.15 -0.57 0.00 0.00 179.45 180.66 2qtf h THR 193 N 0.76 1.26 -0.53 -0.16 2.02 -1.99 -1.63 112.91 112.63 2qtf h THR 193 Ca 0.20 -1.08 -0.10 0.00 0.77 0.00 0.00 66.41 66.19 2qtf h THR 193 Cb 0.04 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2qtf h THR 193 CO -0.03 0.39 -0.08 0.77 0.37 0.00 0.00 175.52 176.94 2qtf h SER 194 N 0.93 0.97 -0.28 4.18 4.64 -1.90 0.13 113.55 122.23 2qtf h SER 194 Ca 0.18 -0.30 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 2qtf h SER 194 Cb 0.50 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2qtf h SER 194 CO 0.02 1.07 0.01 0.25 -0.87 0.00 0.00 176.83 177.31 2qtf h LEU 195 N 0.87 0.47 -0.20 5.97 5.85 -0.78 -0.73 115.31 126.77 2qtf h LEU 195 Ca 0.14 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2qtf h LEU 195 Cb 0.63 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2qtf h LEU 195 CO 0.04 0.66 0.01 0.15 -0.34 0.00 0.00 178.44 178.96 2qtf h PHE 196 N 0.27 0.01 -0.53 1.25 3.57 -0.96 -1.63 116.94 118.93 2qtf h PHE 196 Ca 0.08 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 2qtf h PHE 196 Cb 0.41 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2qtf h PHE 196 CO 0.03 -0.01 0.09 -0.91 -2.23 0.00 0.00 178.31 175.28 2qtf h ASN 197 N 0.08 0.78 -0.33 0.41 2.35 -0.70 -0.43 115.58 117.75 2qtf h ASN 197 Ca 0.09 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2qtf h ASN 197 Cb 0.11 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2qtf h ASN 197 CO -0.14 0.79 0.14 -1.28 -1.65 0.00 0.00 177.43 175.29 2qtf h SER 198 N 0.79 0.45 -0.03 5.81 0.87 -0.69 0.15 113.55 120.89 2qtf h SER 198 Ca 0.17 -0.15 -0.11 0.00 -1.23 0.00 0.00 61.79 60.46 2qtf h SER 198 Cb 0.34 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2qtf h SER 198 CO 0.00 0.48 -0.33 -0.07 -0.53 0.00 0.00 176.83 176.39 2qtf h LEU 199 N 0.39 0.52 0.00 2.23 3.38 -1.06 -3.27 115.31 117.50 2qtf h LEU 199 Ca 0.11 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2qtf h LEU 199 Cb 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2qtf h LEU 199 CO -0.01 0.82 -1.33 0.35 0.09 0.00 0.00 178.44 178.36 2qtf n THR 200 N -4.07 0.88 -0.85 0.22 -2.24 -0.19 -4.93 114.28 103.10 2qtf n THR 200 Ca -0.01 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2qtf n THR 200 Cb 0.46 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 2qtf n THR 200 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qtf n GLY 201 N 1.31 0.65 0.00 3.38 0.00 0.52 -5.07 105.19 105.97 2qtf n GLY 201 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2qtf n GLY 201 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qtf n LEU 202 N 0.00 0.00 0.00 0.99 4.77 -1.13 -5.02 117.00 116.62 2qtf n LEU 202 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qtf n LEU 202 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qtf n LEU 202 CO 0.00 -0.13 0.00 1.15 -1.33 0.00 0.00 177.39 177.08 2qtf n MET 214 N 0.00 0.00 -3.65 3.23 0.00 -1.26 -4.71 117.12 110.73 2qtf n MET 214 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.68 2qtf n MET 214 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 2qtf n MET 214 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2qtf s SER 215 N -3.11 -0.23 0.79 3.17 1.04 -1.26 -4.64 113.70 109.46 2qtf s SER 215 Ca 0.00 0.39 -0.13 0.00 0.48 0.00 0.00 55.95 56.69 2qtf s SER 215 Cb 0.00 0.85 0.08 0.00 0.10 0.00 0.00 66.02 67.05 2qtf s SER 215 CO 0.00 -0.06 1.18 -2.16 0.98 0.00 0.00 173.24 173.17 2qtf s PRO 216 N 0.79 1.79 -0.51 4.02 0.04 -1.23 -5.02 135.00 134.88 2qtf s PRO 216 Ca -0.03 1.64 -0.27 0.00 0.04 0.00 0.00 61.00 62.37 2qtf s PRO 216 Cb -0.04 -1.81 0.03 0.00 0.04 0.00 0.00 34.50 32.73 2qtf s PRO 216 CO -0.12 -2.08 1.07 0.15 0.04 0.00 0.00 177.00 176.06 2qtf s LYS 217 N -4.24 3.56 -0.05 4.56 1.02 -1.26 -5.00 119.74 118.32 2qtf s LYS 217 Ca 0.71 0.25 0.01 0.00 0.02 0.00 0.00 55.97 56.96 2qtf s LYS 217 Cb -0.26 -3.96 0.02 0.00 -0.52 0.00 0.00 37.83 33.11 2qtf s LYS 217 CO 0.50 -1.44 -0.05 1.03 -0.92 0.00 0.00 175.35 174.48 2qtf s ARG 218 N 4.33 0.92 -0.12 1.68 0.52 -1.26 -0.60 118.95 124.42 2qtf s ARG 218 Ca 0.41 -0.12 -0.05 0.00 -0.52 0.00 0.00 55.73 55.45 2qtf s ARG 218 Cb -0.09 -0.93 0.05 0.00 0.52 0.00 0.00 34.95 34.51 2qtf s ARG 218 CO 0.27 -0.10 0.26 -0.47 0.02 0.00 0.00 175.30 175.28 2qtf s TYR 219 N 1.01 -0.38 0.13 -0.53 5.04 -0.10 -4.97 117.35 117.55 2qtf s TYR 219 Ca -0.09 0.88 -0.22 0.00 -2.44 0.00 0.00 57.07 55.20 2qtf s TYR 219 Cb -0.14 0.02 -0.07 0.00 0.35 0.00 0.00 41.96 42.11 2qtf s TYR 219 CO -0.00 -0.29 0.67 0.00 -1.34 0.00 0.00 175.55 174.58 2qtf s ALA 220 N 1.78 3.52 0.06 3.97 0.00 -1.26 -1.34 121.76 128.48 2qtf s ALA 220 Ca -0.05 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.13 2qtf s ALA 220 Cb -0.11 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 2qtf s ALA 220 CO -0.09 0.35 -0.12 0.96 0.00 0.00 0.00 175.76 176.86 2qtf s ILE 221 N -1.18 0.95 -0.02 0.00 -4.36 0.32 -4.95 121.20 111.96 2qtf s ILE 221 Ca 0.33 -1.20 -0.23 0.00 -0.26 0.00 0.00 60.65 59.29 2qtf s ILE 221 Cb -0.21 -0.93 -0.05 0.00 1.25 0.00 0.00 42.46 42.53 2qtf s ILE 221 CO 0.22 -0.24 0.67 -2.16 0.24 0.00 0.00 174.94 173.67 2qtf s PRO 222 N -1.62 4.41 -0.11 0.37 0.04 -1.26 -0.26 135.00 136.56 2qtf s PRO 222 Ca -0.04 0.86 -0.00 0.00 0.04 0.00 0.00 61.00 61.86 2qtf s PRO 222 Cb -0.10 -3.39 0.03 0.00 0.04 0.00 0.00 34.50 31.07 2qtf s PRO 222 CO 0.02 0.21 -0.07 0.42 0.04 0.00 0.00 177.00 177.62 2qtf s ILE 223 N 0.28 1.02 0.00 0.56 1.01 0.92 -4.97 121.20 120.03 2qtf s ILE 223 Ca 0.35 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2qtf s ILE 223 Cb -0.18 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.24 2qtf s ILE 223 CO 0.19 0.36 0.00 0.59 0.00 0.00 0.00 174.94 176.08 2qtf n ASN 224 N 4.94 0.00 -1.45 3.58 3.02 -1.26 -0.95 115.26 123.14 2qtf n ASN 224 Ca -0.12 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.50 2qtf n ASN 224 Cb 0.50 0.00 0.34 0.00 -0.61 0.00 0.00 39.78 40.01 2qtf n ASN 224 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2qtf n ASN 225 N 6.62 4.92 -4.31 6.41 6.94 -1.26 -4.96 115.26 129.63 2qtf n ASN 225 Ca 0.00 -2.96 -0.28 0.00 -0.02 0.00 0.00 54.58 51.32 2qtf n ASN 225 Cb 0.00 -0.62 -0.14 0.00 -2.36 0.00 0.00 39.78 36.66 2qtf n ASN 225 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2qtf s ARG 226 N -2.77 1.56 -0.17 -3.83 0.52 -0.12 -5.12 118.95 109.02 2qtf s ARG 226 Ca 0.49 -1.06 -0.07 0.00 -0.52 0.00 0.00 55.73 54.57 2qtf s ARG 226 Cb 0.38 -1.74 -0.04 0.00 0.52 0.00 0.00 34.95 34.07 2qtf s ARG 226 CO 0.13 0.44 0.05 0.21 0.02 0.00 0.00 175.30 176.16 2qtf s LYS 227 N -1.31 3.87 -0.05 3.54 2.20 -1.26 -0.05 119.74 126.67 2qtf s LYS 227 Ca 0.10 -0.35 0.03 0.00 -0.36 0.00 0.00 55.97 55.39 2qtf s LYS 227 Cb -0.09 -3.16 0.01 0.00 -1.51 0.00 0.00 37.83 33.07 2qtf s LYS 227 CO 0.02 0.32 -0.14 0.42 -0.36 0.00 0.00 175.35 175.62 2qtf s ILE 228 N 0.22 1.21 -0.41 5.43 1.01 0.64 -4.34 121.20 124.96 2qtf s ILE 228 Ca 0.04 -0.56 -0.22 0.00 0.00 0.00 0.00 60.65 59.91 2qtf s ILE 228 Cb -0.12 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.29 2qtf s ILE 228 CO 0.01 0.36 0.70 -0.32 0.00 0.00 0.00 174.94 175.69 2qtf s MET 229 N 0.36 3.49 -0.04 2.79 -2.45 -0.03 -0.52 119.30 122.90 2qtf s MET 229 Ca -0.09 -0.09 -0.16 0.00 -1.25 0.00 0.00 55.69 54.10 2qtf s MET 229 Cb -0.13 -3.89 -0.05 0.00 1.25 0.00 0.00 34.83 32.01 2qtf s MET 229 CO 0.03 -0.94 0.42 -0.51 1.05 0.00 0.00 175.02 175.07 2qtf s LEU 230 N 2.96 4.41 -0.12 4.11 1.43 -0.45 0.09 118.68 131.11 2qtf s LEU 230 Ca 0.26 0.91 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 2qtf s LEU 230 Cb -0.13 -2.61 0.02 0.00 0.03 0.00 0.00 46.19 43.49 2qtf s LEU 230 CO 0.19 0.23 -0.14 -0.69 0.23 0.00 0.00 176.35 176.16 2qtf s VAL 231 N -0.55 1.47 -0.82 -1.59 1.01 -0.11 -0.93 120.40 118.88 2qtf s VAL 231 Ca 0.24 -0.61 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 2qtf s VAL 231 Cb -0.16 -1.37 0.06 0.00 0.00 0.00 0.00 36.38 34.91 2qtf s VAL 231 CO 0.12 0.44 1.21 -0.62 0.00 0.00 0.00 175.10 176.25 2qtf s ASP 232 N 1.20 6.33 0.44 3.32 -1.08 0.23 -1.42 116.67 125.70 2qtf s ASP 232 Ca -0.02 -1.13 -0.17 0.00 -0.52 0.00 0.00 52.55 50.72 2qtf s ASP 232 Cb -0.14 -2.50 -0.09 0.00 -1.46 0.00 0.00 42.92 38.74 2qtf s ASP 232 CO -0.05 -1.51 0.89 -0.89 0.52 0.00 0.00 175.17 174.13 2qtf s THR 233 N 4.56 4.56 0.53 1.71 2.01 -1.17 -4.53 115.64 123.32 2qtf s THR 233 Ca 0.34 1.15 -0.22 0.00 0.31 0.00 0.00 61.69 63.27 2qtf s THR 233 Cb -0.08 -3.67 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 2qtf s THR 233 CO 0.03 -0.46 1.28 0.55 -0.69 0.00 0.00 174.62 175.33 2qtf n VAL 234 N -1.03 3.62 -1.44 3.82 3.14 -1.26 -4.82 118.33 120.36 2qtf n VAL 234 Ca 0.05 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.64 2qtf n VAL 234 Cb 0.54 -1.56 0.11 0.00 -1.06 0.00 0.00 33.84 31.87 2qtf n VAL 234 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2qtf s GLY 235 N -0.91 1.61 0.03 7.55 0.00 -1.26 -4.69 107.32 109.65 2qtf s GLY 235 Ca 0.71 -0.20 -0.30 0.00 0.00 0.00 0.00 44.72 44.92 2qtf s GLY 235 CO 0.50 0.26 1.26 -1.36 0.00 0.00 0.00 173.10 173.76 2qtf s PHE 236 N -3.10 3.24 -0.07 1.90 0.08 -0.69 -4.89 117.98 114.45 2qtf s PHE 236 Ca 0.62 1.15 0.01 0.00 0.12 0.00 0.00 56.93 58.83 2qtf s PHE 236 Cb -0.16 -3.50 -0.03 0.00 -0.57 0.00 0.00 43.02 38.77 2qtf s PHE 236 CO 0.55 -1.63 -0.08 0.42 -0.10 0.00 0.00 175.22 174.38 2qtf s ILE 237 N 1.62 3.62 0.11 0.64 -1.09 -1.26 -1.98 121.20 122.86 2qtf s ILE 237 Ca 0.60 -0.51 -0.22 0.00 -2.23 0.00 0.00 60.65 58.29 2qtf s ILE 237 Cb -0.29 -2.48 -0.07 0.00 -1.58 0.00 0.00 42.46 38.04 2qtf s ILE 237 CO 0.27 0.59 0.65 -0.13 -1.23 0.00 0.00 174.94 175.09 2qtf s ARG 238 N -0.69 4.34 -0.69 2.79 0.52 -1.26 -4.42 118.95 119.53 2qtf s ARG 238 Ca 0.11 0.90 -0.03 0.00 -0.52 0.00 0.00 55.73 56.18 2qtf s ARG 238 Cb -0.11 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.13 2qtf s ARG 238 CO 0.02 0.60 0.60 0.41 0.02 0.00 0.00 175.30 176.95 2qtf n GLY 239 N 1.62 0.13 3.68 -3.53 0.00 -1.26 -4.90 105.19 100.93 2qtf n GLY 239 Ca -0.08 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 2qtf n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qtf s ILE 240 N -3.17 4.07 0.29 -0.61 1.01 -1.26 -4.94 121.20 116.58 2qtf s ILE 240 Ca 0.23 1.39 -0.29 0.00 0.00 0.00 0.00 60.65 61.97 2qtf s ILE 240 Cb -0.10 -3.89 -0.13 0.00 0.01 0.00 0.00 42.46 38.34 2qtf s ILE 240 CO 0.38 -0.04 1.26 -2.65 0.00 0.00 0.00 174.94 173.90 2qtf n PRO 241 N 5.70 1.87 -0.13 2.79 -0.02 -1.26 -4.88 135.00 139.07 2qtf n PRO 241 Ca 0.13 0.66 0.12 0.00 -2.02 0.00 0.00 63.50 62.38 2qtf n PRO 241 Cb 0.45 -2.21 0.46 0.00 -0.02 0.00 0.00 33.50 32.18 2qtf n PRO 241 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2qtf h PRO 242 N 3.03 0.48 -0.25 0.52 0.13 -2.01 -1.53 132.00 132.37 2qtf h PRO 242 Ca -0.44 -0.03 0.07 0.00 -0.87 0.00 0.00 66.00 64.73 2qtf h PRO 242 Cb 1.30 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2qtf h PRO 242 CO 0.67 0.32 0.20 1.96 -0.23 0.00 0.00 178.00 180.92 2qtf h GLN 243 N 0.50 0.00 -0.19 0.86 7.50 -2.03 -2.99 115.11 118.76 2qtf h GLN 243 Ca 0.31 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.46 2qtf h GLN 243 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.09 2qtf h GLN 243 CO -0.10 0.00 0.00 0.44 -1.50 0.00 0.00 178.83 177.67 2qtf n ILE 244 N -4.25 1.26 -0.15 2.54 -5.35 -0.58 -4.68 119.36 108.14 2qtf n ILE 244 Ca 0.03 -1.24 -0.07 0.00 -0.27 0.00 0.00 62.75 61.20 2qtf n ILE 244 Cb 0.35 0.33 0.08 0.00 -1.74 0.00 0.00 39.64 38.66 2qtf n ILE 244 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 2qtf h VAL 245 N 1.17 1.26 -0.34 7.28 2.07 -1.51 -0.68 116.25 125.50 2qtf h VAL 245 Ca 0.00 -1.15 -0.12 0.00 0.82 0.00 0.00 66.70 66.25 2qtf h VAL 245 Cb 0.78 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2qtf h VAL 245 CO 0.03 0.41 -0.27 0.44 0.02 0.00 0.00 177.57 178.19 2qtf h ASP 246 N 0.84 0.83 -0.96 0.57 3.32 -1.83 -1.33 116.42 117.87 2qtf h ASP 246 Ca 0.15 -0.45 0.09 0.00 0.02 0.00 0.00 57.03 56.84 2qtf h ASP 246 Cb 0.56 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.81 2qtf h ASP 246 CO 0.03 1.11 0.61 0.00 -1.72 0.00 0.00 179.24 179.27 2qtf h ALA 247 N 0.75 1.53 0.59 3.45 0.00 -1.77 -1.57 119.26 122.24 2qtf h ALA 247 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2qtf h ALA 247 Cb 0.84 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2qtf h ALA 247 CO 0.07 0.29 -0.28 0.35 0.00 0.00 0.00 179.25 179.68 2qtf h PHE 248 N 1.02 -0.73 -0.96 0.00 3.57 -0.75 -2.06 116.94 117.03 2qtf h PHE 248 Ca 0.44 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.95 2qtf h PHE 248 Cb 0.34 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 2qtf h PHE 248 CO -0.00 -0.41 0.63 0.74 -2.23 0.00 0.00 178.31 177.04 2qtf h PHE 249 N -0.94 1.18 -0.45 0.41 0.04 -1.18 0.13 116.94 116.14 2qtf h PHE 249 Ca -0.08 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 2qtf h PHE 249 Cb 0.65 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 2qtf h PHE 249 CO -0.01 0.70 0.01 0.28 -0.60 0.00 0.00 178.31 178.69 2qtf h VAL 250 N 1.24 1.26 -0.16 -0.55 2.07 -1.31 0.26 116.25 119.06 2qtf h VAL 250 Ca 0.37 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2qtf h VAL 250 Cb -0.05 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2qtf h VAL 250 CO -0.11 0.35 0.10 0.74 0.02 0.00 0.00 177.57 178.68 2qtf h THR 251 N 0.63 1.04 -0.55 2.57 2.02 -0.97 -3.06 112.91 114.59 2qtf h THR 251 Ca 0.13 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 2qtf h THR 251 Cb 0.48 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2qtf h THR 251 CO 0.02 0.04 0.11 0.25 0.37 0.00 0.00 175.52 176.31 2qtf h LEU 252 N 0.21 0.81 -1.91 2.58 5.85 -0.55 -2.81 115.31 119.49 2qtf h LEU 252 Ca 0.06 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2qtf h LEU 252 Cb -0.02 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.80 2qtf h LEU 252 CO -0.01 0.81 0.08 0.28 -0.34 0.00 0.00 178.44 179.26 2qtf h SER 253 N 0.83 0.00 0.00 1.25 0.02 -0.37 0.95 113.55 116.23 2qtf h SER 253 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2qtf h SER 253 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2qtf h SER 253 CO 0.00 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.07 2qtf n GLU 254 N -2.56 0.10 0.28 3.45 1.02 -1.06 -1.99 120.64 119.88 2qtf n GLU 254 Ca -0.02 0.60 0.15 0.00 -0.02 0.00 0.00 57.16 57.87 2qtf n GLU 254 Cb 0.12 -1.82 0.81 0.00 -0.02 0.00 0.00 31.44 30.52 2qtf n GLU 254 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qtf h ALA 255 N 2.00 1.23 0.00 0.62 0.00 -1.02 -1.35 119.26 120.74 2qtf h ALA 255 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qtf h ALA 255 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qtf h ALA 255 CO 0.00 0.10 0.00 0.36 0.00 0.00 0.00 179.25 179.71 2qtf n LYS 256 N -3.51 0.49 0.16 0.00 2.85 -0.84 -2.61 118.16 114.70 2qtf n LYS 256 Ca -0.02 0.04 0.12 0.00 -1.05 0.00 0.00 58.31 57.41 2qtf n LYS 256 Cb 0.21 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.37 2qtf n LYS 256 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 2qtf h TYR 257 N 0.00 0.00 -3.85 5.58 0.05 -1.47 -3.46 116.97 113.82 2qtf h TYR 257 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.30 2qtf h TYR 257 Cb 0.06 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 2qtf h TYR 257 CO 0.00 0.00 0.19 -1.12 -1.05 0.00 0.00 178.16 176.18 2qtf s SER 258 N -5.37 6.79 0.26 3.88 0.01 -1.07 -4.95 113.70 113.25 2qtf s SER 258 Ca 0.09 1.41 0.12 0.00 1.31 0.00 0.00 55.95 58.87 2qtf s SER 258 Cb 0.09 -2.43 0.28 0.00 0.21 0.00 0.00 66.02 64.17 2qtf s SER 258 CO 0.64 -0.29 1.55 0.44 0.41 0.00 0.00 173.24 175.99 2qtf h ASP 259 N 2.00 0.00 -5.28 2.44 3.32 -1.35 -3.47 116.42 114.07 2qtf h ASP 259 Ca -0.48 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.46 2qtf h ASP 259 Cb 1.18 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.65 2qtf h ASP 259 CO 0.64 0.65 -0.08 0.00 -1.72 0.00 0.00 179.24 178.72 2qtf s ALA 260 N -3.38 -0.04 0.06 3.45 0.00 -1.03 -4.17 121.76 116.64 2qtf s ALA 260 Ca -0.00 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.95 2qtf s ALA 260 Cb 0.11 1.04 -0.03 0.00 0.00 0.00 0.00 23.12 24.25 2qtf s ALA 260 CO 0.76 -0.86 -0.08 -0.51 0.00 0.00 0.00 175.76 175.08 2qtf s LEU 261 N -3.08 2.32 -0.21 0.00 1.43 -0.67 -1.45 118.68 117.02 2qtf s LEU 261 Ca 0.24 -0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 2qtf s LEU 261 Cb -0.01 -0.15 -0.02 0.00 0.03 0.00 0.00 46.19 46.04 2qtf s LEU 261 CO 0.12 -0.27 -0.02 -0.63 0.23 0.00 0.00 176.35 175.78 2qtf s ILE 262 N -1.97 3.66 -0.27 -0.59 1.01 0.94 -0.62 121.20 123.36 2qtf s ILE 262 Ca -0.04 -0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 2qtf s ILE 262 Cb -0.06 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 2qtf s ILE 262 CO -0.01 0.42 0.16 -0.22 0.00 0.00 0.00 174.94 175.29 2qtf s LEU 263 N 1.24 3.85 -0.18 2.97 2.96 -0.19 -0.97 118.68 128.37 2qtf s LEU 263 Ca 0.03 -0.07 -0.10 0.00 -0.22 0.00 0.00 54.13 53.77 2qtf s LEU 263 Cb -0.14 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 2qtf s LEU 263 CO -0.00 -0.05 0.16 -0.69 -1.32 0.00 0.00 176.35 174.45 2qtf s VAL 264 N 1.72 5.41 -0.07 1.68 1.01 -0.33 0.22 120.40 130.03 2qtf s VAL 264 Ca 0.07 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.30 2qtf s VAL 264 Cb -0.16 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.76 2qtf s VAL 264 CO 0.09 0.46 -0.07 -0.63 0.00 0.00 0.00 175.10 174.96 2qtf s ILE 265 N 0.13 0.80 -0.34 2.22 -1.09 -0.53 -4.30 121.20 118.09 2qtf s ILE 265 Ca 0.10 -0.22 -0.28 0.00 -2.23 0.00 0.00 60.65 58.03 2qtf s ILE 265 Cb -0.11 -0.81 -0.04 0.00 -1.58 0.00 0.00 42.46 39.91 2qtf s ILE 265 CO -0.00 0.30 2.11 -0.62 -1.23 0.00 0.00 174.94 175.51 2qtf s ASP 266 N 1.23 5.34 0.21 3.58 -1.08 -1.26 -0.44 116.67 124.25 2qtf s ASP 266 Ca -0.05 1.43 0.21 0.00 -0.52 0.00 0.00 52.55 53.62 2qtf s ASP 266 Cb -0.14 -2.51 0.91 0.00 -1.46 0.00 0.00 42.92 39.72 2qtf s ASP 266 CO -0.02 -2.12 1.64 -1.54 0.52 0.00 0.00 175.17 173.65 2qtf n SER 267 N 12.29 0.52 0.00 -0.34 3.41 0.24 -2.60 113.62 127.14 2qtf n SER 267 Ca 0.29 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.67 2qtf n SER 267 Cb 0.48 -0.75 0.61 0.00 -0.26 0.00 0.00 64.21 64.29 2qtf n SER 267 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qtf n THR 268 N -2.09 0.19 -2.18 6.66 -2.24 -1.26 -4.82 114.28 108.53 2qtf n THR 268 Ca 0.02 0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.46 2qtf n THR 268 Cb 0.19 -0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 67.81 2qtf n THR 268 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2qtf s PHE 269 N -2.78 2.89 0.90 4.78 0.08 -1.07 -5.00 117.98 117.78 2qtf s PHE 269 Ca 0.19 1.50 -0.12 0.00 0.12 0.00 0.00 56.93 58.62 2qtf s PHE 269 Cb 0.17 -3.49 0.09 0.00 -0.57 0.00 0.00 43.02 39.22 2qtf s PHE 269 CO 0.44 -1.69 0.86 -1.13 -0.10 0.00 0.00 175.22 173.60 2qtf n SER 270 N -0.15 -0.48 -0.33 1.36 3.41 -1.26 -4.59 113.62 111.58 2qtf n SER 270 Ca 0.05 0.43 0.08 0.00 -0.26 0.00 0.00 58.87 59.18 2qtf n SER 270 Cb 0.46 -1.37 0.25 0.00 -0.26 0.00 0.00 64.21 63.29 2qtf n SER 270 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2qtf h GLU 271 N -1.51 0.74 -0.35 4.33 5.08 -1.96 -0.10 114.58 120.81 2qtf h GLU 271 Ca -0.44 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 57.73 2qtf h GLU 271 Cb 1.28 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2qtf h GLU 271 CO 0.40 0.49 -0.37 -0.91 -1.00 0.00 0.00 179.01 177.62 2qtf h ASN 272 N 0.76 0.93 -0.25 1.42 -0.26 -2.00 -1.34 115.58 114.84 2qtf h ASN 272 Ca 0.50 -0.47 -0.10 0.00 -0.56 0.00 0.00 56.30 55.67 2qtf h ASN 272 Cb 0.66 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.64 2qtf h ASN 272 CO -0.34 1.21 -0.18 0.25 -1.06 0.00 0.00 177.43 177.32 2qtf h LEU 273 N 0.66 0.70 -0.69 1.61 5.85 -1.85 -1.84 115.31 119.74 2qtf h LEU 273 Ca 0.05 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 2qtf h LEU 273 Cb 0.96 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2qtf h LEU 273 CO 0.09 0.88 0.24 0.25 -0.34 0.00 0.00 178.44 179.56 2qtf h LEU 274 N 0.62 0.99 -0.17 2.25 5.85 -0.82 0.19 115.31 124.22 2qtf h LEU 274 Ca 0.10 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2qtf h LEU 274 Cb 0.65 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2qtf h LEU 274 CO 0.05 0.92 0.05 0.40 -0.34 0.00 0.00 178.44 179.51 2qtf h ILE 275 N 1.01 1.19 -0.43 4.05 2.04 -0.88 -1.45 117.51 123.04 2qtf h ILE 275 Ca 0.23 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.51 2qtf h ILE 275 Cb 0.26 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 2qtf h ILE 275 CO -0.01 0.18 0.27 -0.33 0.00 0.00 0.00 178.15 178.26 2qtf h GLU 276 N 0.09 0.52 -0.64 2.37 5.08 -1.15 0.17 114.58 121.02 2qtf h GLU 276 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2qtf h GLU 276 Cb 0.24 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2qtf h GLU 276 CO -0.00 0.35 0.41 1.15 -1.00 0.00 0.00 179.01 179.91 2qtf h THR 277 N 0.54 1.17 -0.26 1.13 2.02 -0.37 0.41 112.91 117.55 2qtf h THR 277 Ca 0.16 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 2qtf h THR 277 Cb -0.02 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 2qtf h THR 277 CO -0.06 0.17 0.05 -0.07 0.37 0.00 0.00 175.52 175.98 2qtf h LEU 278 N 0.86 0.40 -0.70 2.58 3.38 -1.11 0.25 115.31 120.97 2qtf h LEU 278 Ca 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2qtf h LEU 278 Cb -0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2qtf h LEU 278 CO -0.05 0.55 0.42 1.56 0.09 0.00 0.00 178.44 181.01 2qtf h GLN 279 N 0.24 0.95 -0.49 1.13 4.20 -0.41 -2.14 115.11 118.60 2qtf h GLN 279 Ca 0.08 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 2qtf h GLN 279 Cb 0.31 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2qtf h GLN 279 CO 0.00 0.68 -0.11 0.77 -0.67 0.00 0.00 178.83 179.50 2qtf h SER 280 N 0.95 0.94 -0.33 1.46 0.02 -0.78 -1.53 113.55 114.28 2qtf h SER 280 Ca 0.25 -0.36 0.07 0.00 -0.84 0.00 0.00 61.79 60.91 2qtf h SER 280 Cb -0.02 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.20 2qtf h SER 280 CO -0.05 1.09 -0.07 0.28 -1.14 0.00 0.00 176.83 176.94 2qtf h SER 281 N 0.79 -0.27 0.27 3.07 0.02 -0.30 -0.94 113.55 116.19 2qtf h SER 281 Ca 0.12 0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 61.01 2qtf h SER 281 Cb 0.67 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 2qtf h SER 281 CO 0.05 -0.09 -0.62 -0.26 -1.14 0.00 0.00 176.83 174.76 2qtf h PHE 282 N 0.02 0.44 -0.07 3.45 0.04 -1.38 -1.94 116.94 117.50 2qtf h PHE 282 Ca 0.16 -0.17 0.01 0.00 2.80 0.00 0.00 57.97 60.77 2qtf h PHE 282 Cb 0.24 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 2qtf h PHE 282 CO -0.29 0.87 -0.01 1.49 -0.60 0.00 0.00 178.31 179.77 2qtf h GLU 283 N 0.25 0.01 -0.46 1.51 4.81 -1.03 0.03 114.58 119.70 2qtf h GLU 283 Ca -0.01 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2qtf h GLU 283 Cb 1.15 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 2qtf h GLU 283 CO 0.10 0.01 0.23 0.82 -0.73 0.00 0.00 179.01 179.44 2qtf h ILE 284 N 0.01 0.97 -0.61 2.32 2.04 -1.12 -1.61 117.51 119.51 2qtf h ILE 284 Ca 0.03 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2qtf h ILE 284 Cb 0.05 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 2qtf h ILE 284 CO -0.07 0.08 0.26 -0.07 0.00 0.00 0.00 178.15 178.36 2qtf h LEU 285 N 0.46 0.83 -0.70 1.44 3.38 -1.07 -0.96 115.31 118.69 2qtf h LEU 285 Ca 0.20 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2qtf h LEU 285 Cb 0.10 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2qtf h LEU 285 CO -0.14 0.75 0.46 -0.09 0.09 0.00 0.00 178.44 179.51 2qtf h ARG 286 N 0.85 0.89 0.00 1.13 2.43 -0.72 -1.22 114.38 117.73 2qtf h ARG 286 Ca 0.21 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 2qtf h ARG 286 Cb 0.17 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2qtf h ARG 286 CO -0.02 0.59 -0.60 0.93 -1.51 0.00 0.00 179.97 179.36 2qtf h GLU 287 N 0.92 0.00 -0.00 0.20 4.39 -0.47 -2.16 114.58 117.46 2qtf h GLU 287 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2qtf h GLU 287 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2qtf h GLU 287 CO -0.07 0.60 -0.16 0.44 -1.16 0.00 0.00 179.01 178.66 2qtf n ILE 288 N -3.55 0.00 0.00 3.13 -5.35 -0.44 -4.93 119.36 108.22 2qtf n ILE 288 Ca -0.00 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 2qtf n ILE 288 Cb 0.66 -0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.39 2qtf n ILE 288 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qtf n GLY 289 N 1.40 1.15 3.64 3.28 0.00 -0.81 -4.92 105.19 108.93 2qtf n GLY 289 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2qtf n GLY 289 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qtf s VAL 290 N -2.00 3.65 -0.07 1.61 1.01 -0.50 -4.99 120.40 119.11 2qtf s VAL 290 Ca 0.00 0.76 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 2qtf s VAL 290 Cb 0.00 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.81 2qtf s VAL 290 CO 0.00 -0.20 0.16 -0.55 0.00 0.00 0.00 175.10 174.51 2qtf s SER 291 N 4.00 -0.15 0.00 3.32 0.15 -1.26 -4.41 113.70 115.36 2qtf s SER 291 Ca 0.73 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.71 2qtf s SER 291 Cb -0.28 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2qtf s SER 291 CO 0.29 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2qtf n GLY 292 N 3.87 0.25 3.75 9.45 0.00 -1.26 -4.98 105.19 116.27 2qtf n GLY 292 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 2qtf n GLY 292 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qtf s LYS 293 N -1.05 4.30 0.34 1.61 1.02 -1.26 -4.82 119.74 119.89 2qtf s LYS 293 Ca 0.00 0.61 -0.29 0.00 0.02 0.00 0.00 55.97 56.32 2qtf s LYS 293 Cb 0.00 -3.38 -0.11 0.00 -0.52 0.00 0.00 37.83 33.82 2qtf s LYS 293 CO 0.00 0.29 1.51 -2.14 -0.92 0.00 0.00 175.35 174.09 2qtf s PRO 294 N 0.14 4.13 -0.15 -1.68 0.02 -1.26 -4.40 135.00 131.80 2qtf s PRO 294 Ca 0.29 2.55 0.01 0.00 0.02 0.00 0.00 61.00 63.87 2qtf s PRO 294 Cb -0.17 -3.00 0.02 0.00 0.02 0.00 0.00 34.50 31.37 2qtf s PRO 294 CO 0.14 -0.54 -0.18 0.42 -0.33 0.00 0.00 177.00 176.50 2qtf s ILE 295 N -0.70 1.86 -0.26 2.83 1.01 -0.71 -1.66 121.20 123.56 2qtf s ILE 295 Ca 0.56 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 2qtf s ILE 295 Cb -0.46 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2qtf s ILE 295 CO 0.57 0.51 0.34 -0.22 0.00 0.00 0.00 174.94 176.14 2qtf s LEU 296 N 1.14 4.06 -0.18 2.97 2.96 0.21 -0.41 118.68 129.43 2qtf s LEU 296 Ca -0.01 0.28 -0.13 0.00 -0.22 0.00 0.00 54.13 54.06 2qtf s LEU 296 Cb -0.14 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 2qtf s LEU 296 CO -0.07 -0.14 0.24 -0.69 -1.32 0.00 0.00 176.35 174.37 2qtf s VAL 297 N 1.87 5.33 -0.25 1.68 1.01 0.00 -1.02 120.40 129.03 2qtf s VAL 297 Ca 0.14 0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 2qtf s VAL 297 Cb -0.16 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2qtf s VAL 297 CO 0.09 0.38 -0.07 0.42 0.00 0.00 0.00 175.10 175.93 2qtf s THR 298 N 0.60 2.79 -0.64 3.92 -4.23 0.13 -1.27 115.64 116.94 2qtf s THR 298 Ca 0.13 -1.06 -0.28 0.00 -1.18 0.00 0.00 61.69 59.31 2qtf s THR 298 Cb -0.13 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.32 2qtf s THR 298 CO 0.03 0.20 1.22 -0.22 -0.54 0.00 0.00 174.62 175.31 2qtf s LEU 299 N 1.31 3.36 0.38 4.79 2.96 0.09 -1.45 118.68 130.12 2qtf s LEU 299 Ca -0.00 -0.13 0.07 0.00 -0.22 0.00 0.00 54.13 53.86 2qtf s LEU 299 Cb -0.17 -2.92 -0.00 0.00 0.50 0.00 0.00 46.19 43.60 2qtf s LEU 299 CO -0.05 -1.62 0.50 0.21 -1.32 0.00 0.00 176.35 174.07 2qtf s ASN 300 N 3.27 5.67 -1.18 3.68 2.47 0.41 -0.77 114.94 128.49 2qtf s ASN 300 Ca 0.39 -0.38 0.00 0.00 0.42 0.00 0.00 52.86 53.29 2qtf s ASN 300 Cb -0.08 -0.87 0.00 0.00 -1.45 0.00 0.00 41.25 38.86 2qtf s ASN 300 CO 0.21 -0.61 0.00 0.29 -3.72 0.00 0.00 177.10 173.27 2qtf n LYS 301 N -1.71 -1.09 0.20 0.43 5.02 -1.09 -0.59 118.16 119.33 2qtf n LYS 301 Ca 0.04 0.68 0.15 0.00 -2.02 0.00 0.00 58.31 57.15 2qtf n LYS 301 Cb 0.59 -4.93 0.69 0.00 -0.02 0.00 0.00 35.03 31.35 2qtf n LYS 301 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 2qtf h ILE 302 N 0.00 0.00 0.00 -0.18 3.07 -1.77 -0.75 117.51 117.88 2qtf h ILE 302 Ca -0.32 -0.17 -0.04 0.00 1.55 0.00 0.00 64.86 65.88 2qtf h ILE 302 Cb 1.23 0.92 -0.01 0.00 -0.27 0.00 0.00 36.82 38.69 2qtf h ILE 302 CO 0.39 0.00 -0.18 -2.24 -1.05 0.00 0.00 178.15 175.06 2qtf h ASP 303 N 0.00 0.00 -0.06 2.16 2.03 -1.90 -3.14 116.42 115.50 2qtf h ASP 303 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2qtf h ASP 303 Cb 0.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.71 2qtf h ASP 303 CO 0.00 0.18 0.00 0.29 -1.03 0.00 0.00 179.24 178.68 2qtf n LYS 304 N -4.17 2.13 0.11 4.15 5.02 -0.29 -4.53 118.16 120.58 2qtf n LYS 304 Ca -0.02 -1.65 -0.13 0.00 -2.02 0.00 0.00 58.31 54.49 2qtf n LYS 304 Cb 0.25 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 2qtf n LYS 304 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2qtf h ILE 305 N 3.90 0.29 -6.36 -0.18 2.04 -1.61 -3.47 117.51 112.12 2qtf h ILE 305 Ca 0.00 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.51 2qtf h ILE 305 Cb 0.83 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2qtf h ILE 305 CO 0.00 0.00 -0.85 0.59 0.00 0.00 0.00 178.15 177.89 2qtf n ASN 306 N -5.43 -5.71 0.00 1.72 3.02 -1.26 -4.93 115.26 102.67 2qtf n ASN 306 Ca -0.07 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 2qtf n ASN 306 Cb 0.34 -2.63 0.00 0.00 -0.61 0.00 0.00 39.78 36.88 2qtf n ASN 306 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qtf n GLY 307 N -1.42 -0.95 3.33 7.41 0.00 -1.26 -5.10 105.19 107.20 2qtf n GLY 307 Ca -0.20 -0.91 -0.46 0.00 0.00 0.00 0.00 46.02 44.44 2qtf n GLY 307 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qtf s ASP 308 N -4.00 6.57 0.19 1.61 3.68 -1.26 -4.91 116.67 118.56 2qtf s ASP 308 Ca 0.00 -2.35 -0.11 0.00 2.13 0.00 0.00 52.55 52.22 2qtf s ASP 308 Cb 0.00 -2.23 0.21 0.00 -1.45 0.00 0.00 42.92 39.45 2qtf s ASP 308 CO 0.00 -0.71 1.76 0.25 0.13 0.00 0.00 175.17 176.60 2qtf h LEU 309 N 8.36 0.26 -1.16 -1.34 5.85 -1.99 -2.85 115.31 122.44 2qtf h LEU 309 Ca -0.02 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2qtf h LEU 309 Cb 1.06 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2qtf h LEU 309 CO 0.87 0.17 -0.31 1.88 -0.34 0.00 0.00 178.44 180.71 2qtf h TYR 310 N 0.42 0.21 -0.53 1.25 -1.99 -1.99 -0.26 116.97 114.10 2qtf h TYR 310 Ca 0.27 -0.04 -0.09 0.00 2.00 0.00 0.00 58.73 60.86 2qtf h TYR 310 Cb 0.28 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.93 2qtf h TYR 310 CO -0.15 0.48 -0.04 0.87 -0.00 0.00 0.00 178.16 179.33 2qtf h LYS 311 N 0.17 0.95 -0.03 4.88 1.57 -1.96 -0.34 116.57 121.81 2qtf h LYS 311 Ca 0.02 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 2qtf h LYS 311 Cb 0.63 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2qtf h LYS 311 CO 0.05 0.98 -0.04 0.87 -0.57 0.00 0.00 179.45 180.74 2qtf h LYS 312 N 0.82 -0.06 -0.64 3.15 1.57 -1.21 -0.91 116.57 119.29 2qtf h LYS 312 Ca 0.14 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2qtf h LYS 312 Cb 0.58 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2qtf h LYS 312 CO 0.03 -0.04 0.29 1.25 -0.57 0.00 0.00 179.45 180.41 2qtf h LEU 313 N -0.06 0.85 -0.29 2.94 5.85 -0.97 -0.18 115.31 123.45 2qtf h LEU 313 Ca 0.03 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.48 2qtf h LEU 313 Cb 0.10 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 2qtf h LEU 313 CO -0.07 0.76 -0.28 -0.78 -0.34 0.00 0.00 178.44 177.74 2qtf h ASP 314 N 0.88 0.75 -0.36 1.25 -0.00 -0.88 -0.77 116.42 117.29 2qtf h ASP 314 Ca 0.22 -0.47 0.07 0.00 -0.00 0.00 0.00 57.03 56.85 2qtf h ASP 314 Cb 0.15 -0.21 -0.09 0.00 -0.00 0.00 0.00 39.33 39.18 2qtf h ASP 314 CO -0.02 1.06 -0.35 0.25 -0.00 0.00 0.00 179.24 180.18 2qtf h LEU 315 N 0.45 -1.14 -0.60 2.28 5.85 -0.91 -0.46 115.31 120.78 2qtf h LEU 315 Ca 0.05 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.99 2qtf h LEU 315 Cb 0.84 0.52 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 2qtf h LEU 315 CO 0.07 -0.34 0.36 0.58 -0.34 0.00 0.00 178.44 178.77 2qtf h VAL 316 N -0.29 1.06 -0.16 1.05 2.07 -0.94 0.43 116.25 119.47 2qtf h VAL 316 Ca 0.15 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2qtf h VAL 316 Cb 0.55 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2qtf h VAL 316 CO -0.52 0.13 -0.01 -0.08 0.02 0.00 0.00 177.57 177.11 2qtf h GLU 317 N 0.71 0.29 -0.48 1.57 4.81 -0.95 -0.00 114.58 120.52 2qtf h GLU 317 Ca 0.24 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2qtf h GLU 317 Cb 0.03 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 2qtf h GLU 317 CO -0.11 0.53 0.31 0.87 -0.73 0.00 0.00 179.01 179.88 2qtf h LYS 318 N 0.02 0.60 -0.33 1.92 1.57 -0.87 -2.50 116.57 116.99 2qtf h LYS 318 Ca 0.04 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2qtf h LYS 318 Cb 0.40 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2qtf h LYS 318 CO 0.01 0.40 -0.27 1.25 -0.57 0.00 0.00 179.45 180.27 2qtf h LEU 319 N 0.62 0.81 -0.73 2.94 5.85 -0.84 -1.05 115.31 122.91 2qtf h LEU 319 Ca 0.18 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.50 2qtf h LEU 319 Cb -0.04 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 2qtf h LEU 319 CO -0.06 1.09 0.44 0.28 -0.34 0.00 0.00 178.44 179.86 2qtf h SER 320 N 0.54 0.68 0.92 1.25 0.02 -0.95 0.45 113.55 116.46 2qtf h SER 320 Ca 0.06 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 2qtf h SER 320 Cb 0.84 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2qtf h SER 320 CO 0.07 0.45 -0.52 0.11 -1.14 0.00 0.00 176.83 175.80 2qtf h LYS 321 N 0.82 0.00 -0.27 3.45 1.57 -1.26 -0.14 116.57 120.74 2qtf h LYS 321 Ca 0.32 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 2qtf h LYS 321 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2qtf h LYS 321 CO -0.16 0.52 -0.11 0.93 -0.57 0.00 0.00 179.45 180.06 2qtf h GLU 322 N 0.00 0.45 0.00 3.15 5.08 -0.21 -3.31 114.58 119.74 2qtf h GLU 322 Ca -0.01 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 2qtf h GLU 322 Cb 1.13 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2qtf h GLU 322 CO 0.07 0.56 -1.04 -0.07 -1.00 0.00 0.00 179.01 177.53 2qtf h LEU 323 N 0.42 0.00 -7.32 1.33 3.38 -0.30 -3.48 115.31 109.33 2qtf h LEU 323 Ca 0.08 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2qtf h LEU 323 Cb 0.45 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.00 2qtf h LEU 323 CO 0.03 0.37 -0.11 -0.47 0.09 0.00 0.00 178.44 178.34 2qtf s TYR 324 N -3.07 -0.37 -0.00 1.13 5.04 -0.12 -5.02 117.35 114.93 2qtf s TYR 324 Ca -0.00 0.64 0.01 0.00 -2.44 0.00 0.00 57.07 55.28 2qtf s TYR 324 Cb 0.08 0.21 -0.00 0.00 0.35 0.00 0.00 41.96 42.60 2qtf s TYR 324 CO 0.78 -0.45 -0.03 0.45 -1.34 0.00 0.00 175.55 174.97 2qtf s SER 325 N -1.13 0.34 -0.18 4.32 0.15 -1.26 -4.17 113.70 111.77 2qtf s SER 325 Ca -0.11 -0.05 -0.16 0.00 0.70 0.00 0.00 55.95 56.32 2qtf s SER 325 Cb -0.03 -0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 2qtf s SER 325 CO 0.06 0.03 0.42 -2.16 1.20 0.00 0.00 173.24 172.79 2qtf s PRO 326 N -0.05 4.23 -0.23 5.44 0.04 -1.26 -4.28 135.00 138.90 2qtf s PRO 326 Ca 0.01 0.27 -0.27 0.00 0.04 0.00 0.00 61.00 61.05 2qtf s PRO 326 Cb -0.01 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 31.03 2qtf s PRO 326 CO -0.00 0.04 0.93 0.42 0.04 0.00 0.00 177.00 178.42 2qtf s ILE 327 N 1.06 4.77 -0.01 0.56 -1.09 -1.26 -1.74 121.20 123.49 2qtf s ILE 327 Ca 0.21 1.79 -0.25 0.00 -2.23 0.00 0.00 60.65 60.18 2qtf s ILE 327 Cb -0.15 -4.21 -0.18 0.00 -1.58 0.00 0.00 42.46 36.35 2qtf s ILE 327 CO 0.08 -0.11 1.20 0.15 -1.23 0.00 0.00 174.94 175.04 2qtf h PHE 328 N 7.53 -0.18 -1.98 3.97 3.57 -1.07 -3.46 116.94 125.32 2qtf h PHE 328 Ca -0.22 -0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.53 2qtf h PHE 328 Cb 1.08 0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.79 2qtf h PHE 328 CO 0.75 0.21 0.67 0.34 -2.23 0.00 0.00 178.31 178.05 2qtf s ASP 329 N -5.39 -0.09 -0.15 0.41 -1.08 -1.24 -5.00 116.67 104.12 2qtf s ASP 329 Ca -0.15 -0.32 -0.01 0.00 -0.52 0.00 0.00 52.55 51.56 2qtf s ASP 329 Cb 0.02 0.33 0.04 0.00 -1.46 0.00 0.00 42.92 41.85 2qtf s ASP 329 CO 0.59 -0.62 -0.03 -0.69 0.52 0.00 0.00 175.17 174.93 2qtf s VAL 330 N -2.69 0.91 0.07 1.11 1.01 -1.26 -0.82 120.40 118.73 2qtf s VAL 330 Ca 0.16 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.73 2qtf s VAL 330 Cb 0.01 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2qtf s VAL 330 CO -0.00 0.12 -0.19 0.27 0.00 0.00 0.00 175.10 175.29 2qtf s ILE 331 N 1.72 1.56 -0.02 2.22 -4.36 -0.39 -4.99 121.20 116.94 2qtf s ILE 331 Ca 0.01 -1.34 -0.17 0.00 -0.26 0.00 0.00 60.65 58.90 2qtf s ILE 331 Cb -0.15 -1.41 -0.05 0.00 1.25 0.00 0.00 42.46 42.10 2qtf s ILE 331 CO -0.07 0.02 0.46 -2.16 0.24 0.00 0.00 174.94 173.42 2qtf s PRO 332 N -1.56 4.11 0.19 0.37 0.04 -1.26 -0.73 135.00 136.16 2qtf s PRO 332 Ca 0.05 0.48 -0.03 0.00 0.04 0.00 0.00 61.00 61.55 2qtf s PRO 332 Cb -0.09 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 2qtf s PRO 332 CO 0.03 0.51 0.16 0.96 0.04 0.00 0.00 177.00 178.70 2qtf s ILE 333 N -0.53 0.02 -0.29 0.56 -4.36 0.05 -4.75 121.20 111.89 2qtf s ILE 333 Ca 0.25 -1.90 -0.00 0.00 -0.26 0.00 0.00 60.65 58.75 2qtf s ILE 333 Cb -0.17 -2.36 0.09 0.00 1.25 0.00 0.00 42.46 41.28 2qtf s ILE 333 CO 0.13 -0.10 0.06 -0.55 0.24 0.00 0.00 174.94 174.73 2qtf s SER 334 N -3.12 4.00 0.37 4.36 0.15 -0.33 -2.69 113.70 116.44 2qtf s SER 334 Ca 0.34 -1.56 0.06 0.00 0.70 0.00 0.00 55.95 55.48 2qtf s SER 334 Cb 0.06 -0.99 0.73 0.00 -1.71 0.00 0.00 66.02 64.10 2qtf s SER 334 CO 0.09 -0.37 1.95 0.00 1.20 0.00 0.00 173.24 176.11 2qtf h ALA 335 N 8.01 1.52 -0.10 5.45 0.00 -1.93 0.23 119.26 132.44 2qtf h ALA 335 Ca -0.13 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.43 2qtf h ALA 335 Cb 1.03 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2qtf h ALA 335 CO 0.46 0.36 -0.77 -0.07 0.00 0.00 0.00 179.25 179.23 2qtf h LEU 336 N 0.47 0.85 -0.31 0.00 3.38 -1.94 -3.25 115.31 114.50 2qtf h LEU 336 Ca 0.11 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2qtf h LEU 336 Cb 0.20 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2qtf h LEU 336 CO -0.00 1.38 -0.48 0.29 0.09 0.00 0.00 178.44 179.72 2qtf n LYS 337 N -4.00 0.47 -3.06 1.13 4.76 -1.20 -4.96 118.16 111.28 2qtf n LYS 337 Ca -0.09 -0.31 -0.13 0.00 -2.87 0.00 0.00 58.31 54.92 2qtf n LYS 337 Cb 0.74 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 32.51 2qtf n LYS 337 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2qtf n ARG 338 N -1.00 -4.93 -3.77 1.97 1.74 0.66 -5.00 116.66 106.34 2qtf n ARG 338 Ca 0.08 0.63 -0.36 0.00 -0.77 0.00 0.00 57.85 57.44 2qtf n ARG 338 Cb 0.36 -5.01 -0.07 0.00 -1.02 0.00 0.00 32.46 26.71 2qtf n ARG 338 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2qtf s THR 339 N -3.27 5.43 -1.41 0.55 2.01 -0.32 -4.45 115.64 114.18 2qtf s THR 339 Ca 0.00 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.23 2qtf s THR 339 Cb -0.00 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 69.05 2qtf s THR 339 CO 0.54 0.51 0.00 0.59 -0.69 0.00 0.00 174.62 175.57 2qtf n ASN 340 N 2.92 -4.69 0.22 3.53 3.02 -1.26 -1.19 115.26 117.81 2qtf n ASN 340 Ca -0.17 0.11 0.10 0.00 -0.03 0.00 0.00 54.58 54.58 2qtf n ASN 340 Cb 0.53 -3.74 0.41 0.00 -0.61 0.00 0.00 39.78 36.38 2qtf n ASN 340 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2qtf h LEU 341 N 0.00 0.00 -0.28 3.41 4.07 -1.90 -1.91 115.31 118.70 2qtf h LEU 341 Ca -0.35 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.41 2qtf h LEU 341 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 2qtf h LEU 341 CO 0.44 0.22 -0.72 -0.08 -1.08 0.00 0.00 178.44 177.22 2qtf h GLU 342 N 0.00 0.67 -0.58 1.13 4.57 -1.93 0.27 114.58 118.71 2qtf h GLU 342 Ca -0.00 -0.52 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 2qtf h GLU 342 Cb 0.81 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.48 2qtf h GLU 342 CO 0.03 1.14 0.36 1.25 -1.18 0.00 0.00 179.01 180.61 2qtf h LEU 343 N 0.47 0.68 0.06 1.64 5.85 -1.89 0.40 115.31 122.53 2qtf h LEU 343 Ca -0.03 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2qtf h LEU 343 Cb 1.32 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2qtf h LEU 343 CO 0.14 0.52 -0.03 0.25 -0.34 0.00 0.00 178.44 178.99 2qtf h LEU 344 N 0.78 -0.07 -0.45 2.25 5.85 -1.05 0.66 115.31 123.28 2qtf h LEU 344 Ca 0.21 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.85 2qtf h LEU 344 Cb -0.05 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 40.91 2qtf h LEU 344 CO -0.04 0.12 -0.33 -0.09 -0.34 0.00 0.00 178.44 177.76 2qtf h ARG 345 N -0.26 -0.22 -0.84 1.25 2.43 -0.33 -0.73 114.38 115.68 2qtf h ARG 345 Ca -0.01 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2qtf h ARG 345 Cb 0.23 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 2qtf h ARG 345 CO 0.01 -0.15 0.45 -0.44 -1.51 0.00 0.00 179.97 178.34 2qtf h ASP 346 N -0.23 1.05 -0.23 -3.80 3.32 -0.60 -1.59 116.42 114.34 2qtf h ASP 346 Ca 0.19 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 2qtf h ASP 346 Cb 0.54 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2qtf h ASP 346 CO -0.58 0.85 -0.21 0.11 -1.72 0.00 0.00 179.24 177.69 2qtf h LYS 347 N 1.18 0.68 -0.51 3.56 1.79 -0.52 -0.47 116.57 122.28 2qtf h LYS 347 Ca 0.30 -0.26 -0.03 0.00 -2.18 0.00 0.00 60.65 58.48 2qtf h LYS 347 Cb 0.03 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 2qtf h LYS 347 CO -0.05 0.84 0.21 0.82 -1.08 0.00 0.00 179.45 180.20 2qtf h ILE 348 N 0.61 1.21 -0.49 1.86 2.04 -0.88 0.55 117.51 122.39 2qtf h ILE 348 Ca 0.09 -0.63 0.06 0.00 1.00 0.00 0.00 64.86 65.38 2qtf h ILE 348 Cb 0.68 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 2qtf h ILE 348 CO 0.05 0.24 0.20 0.22 0.00 0.00 0.00 178.15 178.86 2qtf h TYR 349 N 0.68 0.35 -0.25 1.37 3.20 -1.19 0.45 116.97 121.58 2qtf h TYR 349 Ca 0.17 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.96 2qtf h TYR 349 Cb 0.17 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2qtf h TYR 349 CO 0.00 0.13 -0.30 1.96 -1.64 0.00 0.00 178.16 178.32 2qtf h GLN 350 N 0.39 0.51 -0.45 1.82 4.20 -0.58 -0.01 115.11 120.98 2qtf h GLN 350 Ca 0.23 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 2qtf h GLN 350 Cb 0.22 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2qtf h GLN 350 CO -0.22 0.75 0.10 1.25 -0.67 0.00 0.00 178.83 180.05 2qtf h LEU 351 N 0.44 0.69 -0.88 1.46 5.85 -0.54 0.60 115.31 122.93 2qtf h LEU 351 Ca 0.06 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 2qtf h LEU 351 Cb 0.74 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2qtf h LEU 351 CO 0.06 0.75 0.19 0.00 -0.34 0.00 0.00 178.44 179.10 2qtf h ALA 352 N 0.97 1.09 0.13 1.25 0.00 -0.43 0.28 119.26 122.55 2qtf h ALA 352 Ca 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2qtf h ALA 352 Cb 0.34 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qtf h ALA 352 CO 0.00 0.62 -0.06 1.15 0.00 0.00 0.00 179.25 180.96 2qtf h THR 353 N 0.98 0.98 -0.78 0.00 2.02 -0.90 -1.02 112.91 114.19 2qtf h THR 353 Ca 0.22 -0.49 0.15 0.00 0.77 0.00 0.00 66.41 67.06 2qtf h THR 353 Cb 0.30 1.29 -0.10 0.00 -1.74 0.00 0.00 68.15 67.90 2qtf h THR 353 CO -0.01 0.12 0.31 -0.61 0.37 0.00 0.00 175.52 175.70 2qtf h GLN 354 N -0.41 0.42 -0.30 6.66 4.15 -0.35 -2.43 115.11 122.85 2qtf h GLN 354 Ca -0.02 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 2qtf h GLN 354 Cb 0.33 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2qtf h GLN 354 CO 0.03 0.28 0.10 -0.07 -1.93 0.00 0.00 178.83 177.24 2qtf h LEU 355 N 0.43 0.44 0.00 -2.39 3.38 -0.82 -3.51 115.31 112.84 2qtf h LEU 355 Ca 0.43 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2qtf h LEU 355 Cb 0.69 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2qtf h LEU 355 CO -0.43 0.52 0.00 -1.54 0.09 0.00 0.00 178.44 177.08