#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfy s GLN 1 N 0.00 1.11 0.07 0.03 0.74 -1.26 -4.81 119.66 115.54 1kfy s GLN 1 Ca 0.00 1.04 0.02 0.00 0.05 0.00 0.00 55.36 56.47 1kfy s GLN 1 Cb 0.00 -1.78 -0.03 0.00 1.10 0.00 0.00 33.01 32.30 1kfy s GLN 1 CO 0.00 -2.40 -0.08 0.99 -0.55 0.00 0.00 175.29 173.25 1kfy s THR 2 N -2.81 0.63 -0.02 -0.34 2.01 -1.26 -1.34 115.64 112.51 1kfy s THR 2 Ca 0.64 -1.44 0.02 0.00 0.31 0.00 0.00 61.69 61.23 1kfy s THR 2 Cb -0.20 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.25 1kfy s THR 2 CO 0.58 -0.58 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.50 1kfy s PHE 3 N -2.29 0.81 -0.15 4.92 0.08 0.20 -4.95 117.98 116.61 1kfy s PHE 3 Ca -0.01 -0.19 -0.11 0.00 0.12 0.00 0.00 56.93 56.75 1kfy s PHE 3 Cb -0.04 -0.58 -0.05 0.00 -0.57 0.00 0.00 43.02 41.78 1kfy s PHE 3 CO -0.02 -0.08 0.20 -0.65 -0.10 0.00 0.00 175.22 174.58 1kfy s GLN 4 N 0.16 4.00 0.01 0.44 -1.52 -1.26 -0.74 119.66 120.75 1kfy s GLN 4 Ca -0.02 -0.05 -0.09 0.00 -1.95 0.00 0.00 55.36 53.25 1kfy s GLN 4 Cb -0.07 -3.35 0.00 0.00 -0.22 0.00 0.00 33.01 29.37 1kfy s GLN 4 CO 0.00 0.43 0.18 0.00 -0.25 0.00 0.00 175.29 175.66 1kfy s ALA 5 N -0.08 -0.40 -0.06 6.09 0.00 -0.75 -4.96 121.76 121.61 1kfy s ALA 5 Ca 0.14 -0.13 -0.18 0.00 0.00 0.00 0.00 51.96 51.79 1kfy s ALA 5 Cb -0.12 0.16 -0.13 0.00 0.00 0.00 0.00 23.12 23.03 1kfy s ALA 5 CO 0.03 -0.27 0.74 -0.44 0.00 0.00 0.00 175.76 175.82 1kfy h ASP 6 N 3.93 -0.21 -4.29 0.00 5.19 -0.79 -3.38 116.42 116.87 1kfy h ASP 6 Ca -0.31 -0.28 -0.45 0.00 -0.62 0.00 0.00 57.03 55.37 1kfy h ASP 6 Cb 1.19 0.05 -0.26 0.00 0.18 0.00 0.00 39.33 40.50 1kfy h ASP 6 CO 0.43 0.33 -0.80 -1.48 -3.12 0.00 0.00 179.24 174.61 1kfy s LEU 7 N -8.94 2.14 -0.20 1.55 2.34 -1.24 -3.42 118.68 110.90 1kfy s LEU 7 Ca -0.11 -0.41 -0.02 0.00 0.06 0.00 0.00 54.13 53.65 1kfy s LEU 7 Cb 0.00 -0.63 -0.00 0.00 -0.56 0.00 0.00 46.19 45.00 1kfy s LEU 7 CO 0.40 0.06 -0.08 0.00 -1.06 0.00 0.00 176.35 175.67 1kfy s ALA 8 N -0.73 2.70 -0.29 1.48 0.00 -0.72 -1.22 121.76 122.97 1kfy s ALA 8 Ca 0.02 -1.14 -0.09 0.00 0.00 0.00 0.00 51.96 50.75 1kfy s ALA 8 Cb -0.07 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 1kfy s ALA 8 CO 0.01 -0.33 0.14 0.42 0.00 0.00 0.00 175.76 176.00 1kfy s ILE 9 N 1.29 4.72 -0.44 0.00 1.01 -0.68 -1.37 121.20 125.74 1kfy s ILE 9 Ca 0.04 -0.21 -0.20 0.00 0.00 0.00 0.00 60.65 60.28 1kfy s ILE 9 Cb -0.14 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.04 1kfy s ILE 9 CO -0.04 0.18 0.61 -0.69 0.00 0.00 0.00 174.94 175.00 1kfy s VAL 10 N 1.65 4.86 0.00 2.92 1.01 0.23 -0.57 120.40 130.51 1kfy s VAL 10 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1kfy s VAL 10 Cb -0.16 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1kfy s VAL 10 CO 0.07 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.19 1kfy n GLY 11 N 5.05 2.94 2.06 4.51 0.00 0.21 -1.39 105.19 118.56 1kfy n GLY 11 Ca -0.03 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 1kfy n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfy n ALA 12 N 0.65 5.10 -1.00 4.61 0.00 -1.24 -3.83 120.51 124.79 1kfy n ALA 12 Ca 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 53.44 50.75 1kfy n ALA 12 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1kfy n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfy n GLY 13 N -0.75 -1.27 0.22 0.00 0.00 -1.26 -4.44 105.19 97.68 1kfy n GLY 13 Ca 0.50 -1.60 -0.06 0.00 0.00 0.00 0.00 46.02 44.86 1kfy n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1kfy h GLY 14 N -0.07 0.07 0.84 -0.02 0.00 -1.94 -1.23 103.07 100.73 1kfy h GLY 14 Ca 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 1kfy h GLY 14 CO 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 176.54 176.19 1kfy h ALA 15 N 1.10 -0.49 -0.30 3.60 0.00 -1.92 -2.16 119.26 119.09 1kfy h ALA 15 Ca 0.16 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1kfy h ALA 15 Cb 0.38 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 1kfy h ALA 15 CO -0.40 -0.69 -0.25 0.78 0.00 0.00 0.00 179.25 178.69 1kfy h GLY 16 N -0.65 -0.13 0.88 0.00 0.00 -1.61 0.14 103.07 101.69 1kfy h GLY 16 Ca -0.05 0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.60 1kfy h GLY 16 CO 0.08 -0.20 -0.02 1.41 0.00 0.00 0.00 176.54 177.81 1kfy h LEU 17 N -0.23 -0.07 -1.32 3.11 3.38 -1.27 -0.44 115.31 118.47 1kfy h LEU 17 Ca 0.16 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1kfy h LEU 17 Cb 0.47 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1kfy h LEU 17 CO -0.43 -0.03 0.51 -0.09 0.09 0.00 0.00 178.44 178.49 1kfy h ARG 18 N -0.01 0.79 -0.07 1.13 9.65 -0.95 -0.46 114.38 124.45 1kfy h ARG 18 Ca 0.03 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1kfy h ARG 18 Cb 0.05 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.45 1kfy h ARG 18 CO -0.06 0.52 -0.01 0.00 2.80 0.00 0.00 179.97 183.22 1kfy h ALA 19 N 1.58 0.09 -0.65 2.80 0.00 -0.54 -1.48 119.26 121.06 1kfy h ALA 19 Ca 0.34 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1kfy h ALA 19 Cb 0.29 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1kfy h ALA 19 CO -0.12 -0.21 0.33 0.00 0.00 0.00 0.00 179.25 179.25 1kfy h ALA 20 N 0.69 0.87 -0.48 0.00 0.00 -0.32 -0.91 119.26 119.10 1kfy h ALA 20 Ca 0.02 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1kfy h ALA 20 Cb 0.38 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1kfy h ALA 20 CO 0.01 -0.03 -0.23 0.82 0.00 0.00 0.00 179.25 179.82 1kfy h ILE 21 N 0.60 1.27 -0.24 0.00 2.04 -1.04 -1.85 117.51 118.29 1kfy h ILE 21 Ca 0.31 -1.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 1kfy h ILE 21 Cb 0.26 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1kfy h ILE 21 CO -0.22 0.48 -0.02 0.00 0.00 0.00 0.00 178.15 178.39 1kfy h ALA 22 N 0.86 1.52 -0.02 1.87 0.00 -0.75 -1.00 119.26 121.75 1kfy h ALA 22 Ca 0.11 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1kfy h ALA 22 Cb 0.81 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1kfy h ALA 22 CO 0.07 0.35 -0.75 0.00 0.00 0.00 0.00 179.25 178.92 1kfy h ALA 23 N 1.64 0.71 0.00 0.00 0.00 -0.94 -1.82 119.26 118.86 1kfy h ALA 23 Ca 0.08 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 1kfy h ALA 23 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1kfy h ALA 23 CO 0.01 0.86 -0.42 0.00 0.00 0.00 0.00 179.25 179.70 1kfy h ALA 24 N 1.14 0.75 0.00 0.00 0.00 -0.90 -2.55 119.26 117.70 1kfy h ALA 24 Ca -0.02 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1kfy h ALA 24 Cb 1.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1kfy h ALA 24 CO 0.11 0.46 -0.81 1.96 0.00 0.00 0.00 179.25 180.97 1kfy h GLN 25 N 0.00 0.00 0.08 0.00 4.20 -1.11 -3.25 115.11 115.03 1kfy h GLN 25 Ca -0.01 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 1kfy h GLN 25 Cb 1.28 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.08 1kfy h GLN 25 CO 0.05 0.15 -0.59 0.00 -0.67 0.00 0.00 178.83 177.77 1kfy h ALA 26 N 1.78 -0.03 -2.85 3.87 0.00 -1.34 -3.41 119.26 117.28 1kfy h ALA 26 Ca -0.04 -0.62 -0.61 0.00 0.00 0.00 0.00 54.91 53.65 1kfy h ALA 26 Cb 1.21 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.65 1kfy h ALA 26 CO 0.02 0.28 -0.74 1.21 0.00 0.00 0.00 179.25 180.03 1kfy s ASN 27 N -6.74 3.48 0.62 0.00 2.47 -0.96 -4.99 114.94 108.81 1kfy s ASN 27 Ca -0.15 -3.27 0.23 0.00 0.42 0.00 0.00 52.86 50.09 1kfy s ASN 27 Cb 0.01 -1.12 0.91 0.00 -1.45 0.00 0.00 41.25 39.60 1kfy s ASN 27 CO 0.80 -0.16 1.40 -0.65 -3.72 0.00 0.00 177.10 174.77 1kfy h PRO 28 N 5.85 0.00 -0.16 0.43 0.11 -1.80 0.57 132.00 137.00 1kfy h PRO 28 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1kfy h PRO 28 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1kfy h PRO 28 CO 0.55 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.43 1kfy n ASN 29 N -3.17 2.90 -4.74 -2.05 3.02 -1.26 -4.82 115.26 105.14 1kfy n ASN 29 Ca 0.15 -1.93 -0.32 0.00 -0.03 0.00 0.00 54.58 52.45 1kfy n ASN 29 Cb 1.20 -0.09 0.10 0.00 -0.61 0.00 0.00 39.78 40.38 1kfy n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kfy s ALA 30 N -1.82 2.09 -0.38 5.41 0.00 0.20 -5.02 121.76 122.24 1kfy s ALA 30 Ca 0.33 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.77 1kfy s ALA 30 Cb 0.21 -3.35 0.11 0.00 0.00 0.00 0.00 23.12 20.09 1kfy s ALA 30 CO 0.31 -1.94 0.13 0.21 0.00 0.00 0.00 175.76 174.47 1kfy s LYS 31 N -4.60 1.30 -0.18 0.00 2.36 -1.26 -4.55 119.74 112.81 1kfy s LYS 31 Ca 0.65 -1.79 -0.14 0.00 -2.55 0.00 0.00 55.97 52.14 1kfy s LYS 31 Cb -0.20 -2.72 -0.04 0.00 -1.05 0.00 0.00 37.83 33.81 1kfy s LYS 31 CO 0.53 -1.02 0.32 0.42 1.55 0.00 0.00 175.35 177.15 1kfy s ILE 32 N 0.82 5.27 -0.67 5.43 1.01 -0.16 -0.13 121.20 132.78 1kfy s ILE 32 Ca 0.13 0.58 -0.12 0.00 0.00 0.00 0.00 60.65 61.23 1kfy s ILE 32 Cb -0.21 -3.66 0.17 0.00 0.01 0.00 0.00 42.46 38.78 1kfy s ILE 32 CO -0.10 0.34 0.58 0.00 0.00 0.00 0.00 174.94 175.76 1kfy s ALA 33 N 0.80 3.79 -0.37 9.38 0.00 -0.36 -0.16 121.76 134.85 1kfy s ALA 33 Ca 0.17 -2.98 -0.23 0.00 0.00 0.00 0.00 51.96 48.91 1kfy s ALA 33 Cb -0.14 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.77 1kfy s ALA 33 CO 0.05 -2.13 0.79 -1.17 0.00 0.00 0.00 175.76 173.31 1kfy s LEU 34 N 0.70 4.13 0.14 0.00 2.96 -0.85 -1.69 118.68 124.08 1kfy s LEU 34 Ca 0.12 0.33 0.07 0.00 -0.22 0.00 0.00 54.13 54.43 1kfy s LEU 34 Cb -0.19 -3.03 -0.04 0.00 0.50 0.00 0.00 46.19 43.42 1kfy s LEU 34 CO -0.04 -0.75 -0.03 -0.63 -1.32 0.00 0.00 176.35 173.58 1kfy s ILE 35 N 3.14 3.67 -0.28 6.68 1.01 0.27 -0.99 121.20 134.69 1kfy s ILE 35 Ca 0.32 -1.33 -0.24 0.00 0.00 0.00 0.00 60.65 59.40 1kfy s ILE 35 Cb -0.13 -2.80 0.12 0.00 0.01 0.00 0.00 42.46 39.66 1kfy s ILE 35 CO 0.17 -0.02 0.97 -0.55 0.00 0.00 0.00 174.94 175.51 1kfy s SER 36 N -2.67 -0.51 0.00 3.58 0.15 -1.20 0.64 113.70 113.68 1kfy s SER 36 Ca 0.26 0.96 0.23 0.00 0.70 0.00 0.00 55.95 58.10 1kfy s SER 36 Cb -0.10 1.01 1.32 0.00 -1.71 0.00 0.00 66.02 66.54 1kfy s SER 36 CO 0.17 -0.16 1.76 2.29 1.20 0.00 0.00 173.24 178.50 1kfy n LYS 37 N 2.54 0.61 -3.95 5.44 2.85 -1.11 0.00 118.16 124.54 1kfy n LYS 37 Ca -0.14 0.02 -0.09 0.00 -1.05 0.00 0.00 58.31 57.06 1kfy n LYS 37 Cb 0.56 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.35 1kfy n LYS 37 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1kfy s VAL 38 N -2.17 0.15 0.29 0.58 -7.23 -1.26 -4.38 120.40 106.38 1kfy s VAL 38 Ca 0.31 -1.23 -0.30 0.00 -1.81 0.00 0.00 61.98 58.95 1kfy s VAL 38 Cb 0.16 -1.04 -0.12 0.00 0.56 0.00 0.00 36.38 35.94 1kfy s VAL 38 CO 0.29 -0.68 1.53 -1.22 -0.31 0.00 0.00 175.10 174.71 1kfy n TYR 39 N 0.58 2.66 -0.21 2.82 4.01 -1.26 -4.33 117.16 121.43 1kfy n TYR 39 Ca -0.18 0.33 0.05 0.00 -0.16 0.00 0.00 57.90 57.94 1kfy n TYR 39 Cb 0.59 -2.55 0.11 0.00 -0.31 0.00 0.00 39.34 37.18 1kfy n TYR 39 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1kfy n PRO 40 N 1.91 -0.05 0.00 -0.72 -0.02 -1.26 0.63 135.00 135.50 1kfy n PRO 40 Ca 0.09 0.92 0.05 0.00 -2.02 0.00 0.00 63.50 62.54 1kfy n PRO 40 Cb 0.36 -1.39 0.28 0.00 -0.02 0.00 0.00 33.50 32.73 1kfy n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kfy n MET 41 N -4.91 0.15 -0.15 -0.52 0.00 -1.26 -1.72 117.12 108.72 1kfy n MET 41 Ca 0.11 0.19 0.11 0.00 0.00 0.00 0.00 57.70 58.10 1kfy n MET 41 Cb 0.34 -1.50 0.28 0.00 0.00 0.00 0.00 33.22 32.33 1kfy n MET 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1kfy n ARG 42 N -1.30 2.17 -0.81 3.17 3.00 0.21 -4.79 116.66 118.32 1kfy n ARG 42 Ca 0.05 -1.77 -0.30 0.00 -0.01 0.00 0.00 57.85 55.82 1kfy n ARG 42 Cb 0.09 -1.46 0.18 0.00 0.00 0.00 0.00 32.46 31.27 1kfy n ARG 42 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1kfy s SER 43 N -1.50 2.55 0.29 0.55 0.01 -0.70 -4.90 113.70 110.01 1kfy s SER 43 Ca 0.36 1.80 0.25 0.00 1.31 0.00 0.00 55.95 59.66 1kfy s SER 43 Cb 0.20 -2.39 1.03 0.00 0.21 0.00 0.00 66.02 65.07 1kfy s SER 43 CO 0.29 -3.27 1.74 -0.74 0.41 0.00 0.00 173.24 171.67 1kfy h HIS 44 N -1.98 0.00 -0.02 2.43 2.76 -1.92 -3.06 115.15 113.36 1kfy h HIS 44 Ca -0.50 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 1kfy h HIS 44 Cb 1.29 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.25 1kfy h HIS 44 CO 0.42 0.00 0.02 1.15 -1.30 0.00 0.00 177.93 178.22 1kfy h THR 45 N 0.00 0.43 0.00 6.26 2.02 -1.90 -1.00 112.91 118.72 1kfy h THR 45 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1kfy h THR 45 Cb 0.36 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1kfy h THR 45 CO 0.00 0.00 -0.13 1.62 0.37 0.00 0.00 175.52 177.38 1kfy h VAL 46 N 0.00 0.81 -0.00 3.16 3.04 -1.67 -2.72 116.25 118.86 1kfy h VAL 46 Ca 0.01 -0.50 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1kfy h VAL 46 Cb 0.05 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 1kfy h VAL 46 CO -0.00 0.13 -0.05 0.00 -1.01 0.00 0.00 177.57 176.64 1kfy n ALA 47 N -2.38 2.49 -1.82 3.17 0.00 -0.38 -2.43 120.51 119.17 1kfy n ALA 47 Ca -0.02 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 1kfy n ALA 47 Cb 0.22 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1kfy n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kfy s ALA 48 N -2.89 3.67 0.00 0.00 0.00 -1.03 -4.86 121.76 116.65 1kfy s ALA 48 Ca 0.17 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1kfy s ALA 48 Cb 0.19 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1kfy s ALA 48 CO 0.53 -0.86 0.00 -0.85 0.00 0.00 0.00 175.76 174.58 1kfy n GLU 49 N 2.12 1.61 0.04 0.00 0.28 -1.26 -0.13 120.64 123.29 1kfy n GLU 49 Ca 0.07 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 57.05 1kfy n GLU 49 Cb 0.39 -0.99 -0.01 0.00 1.43 0.00 0.00 31.44 32.26 1kfy n GLU 49 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1kfy h GLY 50 N 0.00 -0.12 0.00 -1.84 0.00 -1.91 -3.37 103.07 95.82 1kfy h GLY 50 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1kfy h GLY 50 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.10 1kfy n GLY 51 N 0.19 -1.43 2.84 4.60 0.00 -1.26 -4.80 105.19 105.32 1kfy n GLY 51 Ca -0.01 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.38 1kfy n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kfy s SER 52 N -2.79 2.23 0.44 1.61 0.15 -0.65 -4.38 113.70 110.30 1kfy s SER 52 Ca 0.00 -0.38 -0.24 0.00 0.70 0.00 0.00 55.95 56.03 1kfy s SER 52 Cb 0.00 -0.69 -0.08 0.00 -1.71 0.00 0.00 66.02 63.54 1kfy s SER 52 CO 0.00 -0.18 1.18 0.00 1.20 0.00 0.00 173.24 175.44 1kfy s ALA 53 N 1.80 3.05 -0.30 5.45 0.00 0.76 -1.00 121.76 131.51 1kfy s ALA 53 Ca 0.03 0.97 -0.16 0.00 0.00 0.00 0.00 51.96 52.80 1kfy s ALA 53 Cb -0.14 -3.39 0.18 0.00 0.00 0.00 0.00 23.12 19.77 1kfy s ALA 53 CO -0.07 -0.64 1.12 0.00 0.00 0.00 0.00 175.76 176.16 1kfy s ALA 54 N -1.48 -3.13 -0.08 0.00 0.00 0.13 -4.76 121.76 112.44 1kfy s ALA 54 Ca 0.61 1.78 -0.39 0.00 0.00 0.00 0.00 51.96 53.97 1kfy s ALA 54 Cb -0.30 -2.26 -0.16 0.00 0.00 0.00 0.00 23.12 20.39 1kfy s ALA 54 CO 0.37 -1.10 1.51 0.28 0.00 0.00 0.00 175.76 176.82 1kfy n VAL 55 N 4.97 0.13 0.01 0.00 0.31 -1.26 -4.72 118.33 117.76 1kfy n VAL 55 Ca -0.08 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1kfy n VAL 55 Cb 0.54 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 1kfy n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kfy n ALA 56 N 3.73 3.00 -1.75 3.52 0.00 -1.26 -4.67 120.51 123.07 1kfy n ALA 56 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.28 1kfy n ALA 56 Cb 0.16 0.22 0.04 0.00 0.00 0.00 0.00 19.45 19.87 1kfy n ALA 56 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1kfy s GLN 57 N -2.00 3.20 0.56 0.00 -0.21 -1.26 -4.92 119.66 115.03 1kfy s GLN 57 Ca 0.00 2.24 0.25 0.00 0.02 0.00 0.00 55.36 57.87 1kfy s GLN 57 Cb 0.00 -2.29 1.61 0.00 1.00 0.00 0.00 33.01 33.33 1kfy s GLN 57 CO 0.00 -1.14 2.21 -0.44 -2.12 0.00 0.00 175.29 173.79 1kfy h ASP 58 N 1.54 0.00 -0.50 5.90 3.32 -2.00 -2.49 116.42 122.20 1kfy h ASP 58 Ca -0.51 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.49 1kfy h ASP 58 Cb 1.30 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 1kfy h ASP 58 CO 0.58 0.01 0.06 0.00 -1.72 0.00 0.00 179.24 178.17 1kfy n HIS 59 N -4.07 1.76 -4.11 4.55 1.44 -1.26 -4.92 115.22 108.60 1kfy n HIS 59 Ca -0.03 -0.70 -0.26 0.00 -2.01 0.00 0.00 57.72 54.72 1kfy n HIS 59 Cb 0.10 -0.48 -0.05 0.00 0.12 0.00 0.00 29.99 29.68 1kfy n HIS 59 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1kfy s ASP 60 N -0.64 4.48 -0.13 4.39 3.68 -0.94 -5.08 116.67 122.44 1kfy s ASP 60 Ca 0.44 -1.18 -0.25 0.00 2.13 0.00 0.00 52.55 53.68 1kfy s ASP 60 Cb 0.34 -0.10 0.06 0.00 -1.45 0.00 0.00 42.92 41.76 1kfy s ASP 60 CO 0.12 -0.75 0.62 -0.55 0.13 0.00 0.00 175.17 174.75 1kfy s SER 61 N -4.02 -0.61 0.64 -0.34 0.15 -1.26 -5.00 113.70 103.26 1kfy s SER 61 Ca 0.35 0.89 0.35 0.00 0.70 0.00 0.00 55.95 58.24 1kfy s SER 61 Cb 0.01 0.84 1.92 0.00 -1.71 0.00 0.00 66.02 67.09 1kfy s SER 61 CO 0.20 -0.43 2.14 -0.26 1.20 0.00 0.00 173.24 176.09 1kfy h PHE 62 N 4.00 0.00 -0.29 3.44 0.05 -1.99 0.72 116.94 122.87 1kfy h PHE 62 Ca -0.28 0.00 -0.16 0.00 3.82 0.00 0.00 57.97 61.35 1kfy h PHE 62 Cb 1.15 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.10 1kfy h PHE 62 CO 0.40 0.00 -0.43 1.49 -0.18 0.00 0.00 178.31 179.59 1kfy h GLU 63 N 0.00 0.81 -0.33 1.51 4.57 -1.98 0.15 114.58 119.31 1kfy h GLU 63 Ca 0.03 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1kfy h GLU 63 Cb 0.38 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 1kfy h GLU 63 CO -0.00 1.11 0.21 1.88 -1.18 0.00 0.00 179.01 181.03 1kfy h TYR 64 N 0.58 0.42 -0.38 0.92 0.05 -1.25 0.13 116.97 117.43 1kfy h TYR 64 Ca 0.03 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1kfy h TYR 64 Cb 1.03 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.61 1kfy h TYR 64 CO 0.07 0.28 -0.00 1.25 -1.05 0.00 0.00 178.16 178.71 1kfy h HIS 65 N 0.43 0.63 0.35 4.88 2.76 -1.42 0.17 115.15 122.97 1kfy h HIS 65 Ca 0.12 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1kfy h HIS 65 Cb -0.03 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.75 1kfy h HIS 65 CO -0.05 0.61 -0.17 0.35 -1.30 0.00 0.00 177.93 177.37 1kfy h PHE 66 N 0.57 -0.44 -0.68 5.26 3.57 -0.00 -2.34 116.94 122.88 1kfy h PHE 66 Ca 0.12 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1kfy h PHE 66 Cb 0.37 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 1kfy h PHE 66 CO 0.01 -0.18 0.43 1.25 -2.23 0.00 0.00 178.31 177.59 1kfy h HIS 67 N -0.63 0.81 -0.84 0.41 2.76 -0.50 -1.81 115.15 115.34 1kfy h HIS 67 Ca -0.05 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.20 1kfy h HIS 67 Cb 0.46 -0.27 -0.06 0.00 1.55 0.00 0.00 27.41 29.09 1kfy h HIS 67 CO -0.01 0.47 0.51 -0.44 -1.30 0.00 0.00 177.93 177.16 1kfy h ASP 68 N 0.85 0.81 -0.23 3.26 3.45 -0.94 0.16 116.42 123.77 1kfy h ASP 68 Ca 0.27 0.02 -0.04 0.00 0.43 0.00 0.00 57.03 57.71 1kfy h ASP 68 Cb -0.00 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.61 1kfy h ASP 68 CO -0.10 0.52 -0.00 0.74 -1.57 0.00 0.00 179.24 178.83 1kfy h THR 69 N 0.94 1.26 0.14 0.35 2.02 -0.83 -1.36 112.91 115.43 1kfy h THR 69 Ca 0.37 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 1kfy h THR 69 Cb 0.17 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1kfy h THR 69 CO -0.17 0.28 -0.07 0.58 0.37 0.00 0.00 175.52 176.51 1kfy h VAL 70 N 0.17 1.00 -0.07 3.16 2.07 -1.12 -1.46 116.25 120.00 1kfy h VAL 70 Ca 0.06 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1kfy h VAL 70 Cb 0.41 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1kfy h VAL 70 CO 0.01 0.15 -0.15 0.00 0.02 0.00 0.00 177.57 177.61 1kfy h ALA 71 N 0.31 -0.11 0.00 1.67 0.00 -1.04 -1.60 119.26 118.49 1kfy h ALA 71 Ca -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kfy h ALA 71 Cb 0.39 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1kfy h ALA 71 CO 0.03 -0.62 -0.01 0.78 0.00 0.00 0.00 179.25 179.44 1kfy h GLY 72 N -0.21 0.00 -0.96 0.00 0.00 -1.26 -0.34 103.07 100.31 1kfy h GLY 72 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1kfy h GLY 72 CO -0.19 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.96 1kfy n GLY 73 N -1.33 0.33 3.92 4.60 0.00 -0.55 -4.04 105.19 108.11 1kfy n GLY 73 Ca -0.03 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 1kfy n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kfy n ASP 74 N 0.32 -0.76 -1.74 1.61 8.00 -0.14 -1.32 116.55 122.52 1kfy n ASP 74 Ca 0.12 -0.96 -0.14 0.00 0.71 0.00 0.00 54.79 54.51 1kfy n ASP 74 Cb 0.27 -3.26 -0.04 0.00 -0.02 0.00 0.00 41.12 38.07 1kfy n ASP 74 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1kfy n TRP 75 N -4.38 -0.64 -0.94 1.24 8.01 -0.94 -4.80 117.44 114.98 1kfy n TRP 75 Ca -0.28 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 55.99 1kfy n TRP 75 Cb 0.67 -2.81 0.36 0.00 -2.01 0.00 0.00 31.31 27.51 1kfy n TRP 75 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 1kfy n LEU 76 N -2.24 5.09 -4.84 -0.99 4.77 -1.00 -4.95 117.00 112.83 1kfy n LEU 76 Ca -0.15 -2.96 -0.37 0.00 -0.03 0.00 0.00 56.01 52.49 1kfy n LEU 76 Cb 0.52 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1kfy n LEU 76 CO 0.21 0.65 0.15 0.00 -1.33 0.00 0.00 177.39 177.07 1kfy s GLU 78 N -1.31 3.56 0.63 0.00 0.41 0.12 -4.60 118.70 117.51 1kfy s GLU 78 Ca 0.28 -1.54 0.14 0.00 -0.41 0.00 0.00 54.97 53.44 1kfy s GLU 78 Cb -0.17 -5.42 0.48 0.00 -1.78 0.00 0.00 34.13 27.25 1kfy s GLU 78 CO 0.16 -2.60 1.16 1.96 -0.49 0.00 0.00 175.26 175.45 1kfy h GLN 79 N 8.71 0.00 0.14 1.61 4.20 -1.48 0.95 115.11 129.24 1kfy h GLN 79 Ca 0.33 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.76 1kfy h GLN 79 Cb 0.92 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.71 1kfy h GLN 79 CO 1.40 0.00 -1.26 0.38 -0.67 0.00 0.00 178.83 178.67 1kfy h ASP 80 N 0.00 0.46 -0.07 1.46 -0.00 -1.89 -3.11 116.42 113.27 1kfy h ASP 80 Ca 0.25 -0.49 -0.01 0.00 -0.00 0.00 0.00 57.03 56.79 1kfy h ASP 80 Cb 2.47 -0.15 -0.00 0.00 -0.00 0.00 0.00 39.33 41.65 1kfy h ASP 80 CO -0.00 1.38 0.02 0.58 -0.00 0.00 0.00 179.24 181.22 1kfy h VAL 81 N 0.08 1.19 -0.89 4.15 2.07 0.62 -2.69 116.25 120.78 1kfy h VAL 81 Ca -0.14 -0.58 0.14 0.00 0.82 0.00 0.00 66.70 66.94 1kfy h VAL 81 Cb 1.99 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 33.14 1kfy h VAL 81 CO 0.21 0.16 0.57 0.58 0.02 0.00 0.00 177.57 179.11 1kfy h VAL 82 N -0.11 0.84 -0.53 2.57 2.07 -1.58 0.02 116.25 119.53 1kfy h VAL 82 Ca 0.02 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.18 1kfy h VAL 82 Cb 0.24 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1kfy h VAL 82 CO 0.00 0.13 -0.14 -0.78 0.02 0.00 0.00 177.57 176.79 1kfy h ASP 83 N 0.69 1.04 -0.50 0.57 3.58 -1.42 -1.31 116.42 119.07 1kfy h ASP 83 Ca 0.44 -0.36 -0.11 0.00 0.42 0.00 0.00 57.03 57.42 1kfy h ASP 83 Cb 0.72 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1kfy h ASP 83 CO -0.20 1.17 -0.10 0.22 -2.88 0.00 0.00 179.24 177.44 1kfy h TYR 84 N 0.91 1.09 0.29 0.28 3.20 -0.97 -2.87 116.97 118.89 1kfy h TYR 84 Ca 0.13 -0.22 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1kfy h TYR 84 Cb 0.72 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1kfy h TYR 84 CO 0.05 1.02 -0.18 0.35 -1.64 0.00 0.00 178.16 177.76 1kfy h PHE 85 N 0.88 -0.47 -0.67 -3.82 3.57 -0.61 -2.20 116.94 113.61 1kfy h PHE 85 Ca 0.14 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.83 1kfy h PHE 85 Cb 0.65 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 1kfy h PHE 85 CO 0.04 -0.26 0.48 -0.39 -2.23 0.00 0.00 178.31 175.95 1kfy h VAL 86 N -0.43 0.67 0.00 1.41 -1.51 -1.32 0.76 116.25 115.83 1kfy h VAL 86 Ca -0.04 -0.01 -0.03 0.00 -1.23 0.00 0.00 66.70 65.39 1kfy h VAL 86 Cb 0.35 0.65 -0.00 0.00 -2.13 0.00 0.00 31.29 30.15 1kfy h VAL 86 CO 0.04 0.00 -0.15 0.45 -1.23 0.00 0.00 177.57 176.68 1kfy h HIS 87 N 0.02 0.00 -0.28 5.19 3.86 -1.32 -3.26 115.15 119.35 1kfy h HIS 87 Ca 0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 1kfy h HIS 87 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1kfy h HIS 87 CO -0.00 0.15 0.00 0.72 0.86 0.00 0.00 177.93 179.66 1kfy n HIS 88 N -3.19 0.36 0.12 2.45 8.25 0.23 -4.63 115.22 118.80 1kfy n HIS 88 Ca 0.02 -0.25 -0.11 0.00 -0.26 0.00 0.00 57.72 57.12 1kfy n HIS 88 Cb 0.50 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.53 1kfy n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kfy h PRO 90 N -0.89 0.30 0.01 0.00 0.11 -1.82 -0.33 132.00 129.38 1kfy h PRO 90 Ca -0.04 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1kfy h PRO 90 Cb 0.51 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1kfy h PRO 90 CO 0.06 0.20 -0.00 1.15 -0.21 0.00 0.00 178.00 179.19 1kfy h THR 91 N 0.31 1.13 -0.05 -1.15 2.02 -1.84 -2.17 112.91 111.15 1kfy h THR 91 Ca 0.62 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 67.31 1kfy h THR 91 Cb 1.31 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1kfy h THR 91 CO -0.61 0.11 -0.31 -0.33 0.37 0.00 0.00 175.52 174.76 1kfy h GLU 92 N -0.19 0.10 -0.07 6.66 4.39 -0.96 0.14 114.58 124.64 1kfy h GLU 92 Ca -0.00 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.53 1kfy h GLU 92 Cb 0.19 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1kfy h GLU 92 CO 0.00 0.40 -0.51 0.52 -1.16 0.00 0.00 179.01 178.26 1kfy h MET 93 N 0.09 0.46 -0.37 2.33 2.86 -1.27 -2.17 114.93 116.86 1kfy h MET 93 Ca 0.01 -0.41 0.03 0.00 -2.06 0.00 0.00 59.70 57.27 1kfy h MET 93 Cb 0.59 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1kfy h MET 93 CO 0.04 1.05 0.19 1.15 1.06 0.00 0.00 176.91 180.40 1kfy h THR 94 N 0.02 0.98 -0.51 2.22 2.02 -1.25 -1.37 112.91 115.02 1kfy h THR 94 Ca -0.04 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.03 1kfy h THR 94 Cb 1.17 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1kfy h THR 94 CO 0.10 0.07 0.34 -0.61 0.37 0.00 0.00 175.52 175.79 1kfy h GLN 95 N 0.39 0.57 -0.04 6.66 5.75 -0.67 0.22 115.11 127.99 1kfy h GLN 95 Ca 0.16 -0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.51 1kfy h GLN 95 Cb 0.06 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1kfy h GLN 95 CO -0.11 0.38 -0.51 -0.07 -2.65 0.00 0.00 178.83 175.87 1kfy h LEU 96 N 0.59 0.12 -0.85 -2.39 3.38 -0.70 -1.79 115.31 113.67 1kfy h LEU 96 Ca 0.20 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1kfy h LEU 96 Cb 0.08 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1kfy h LEU 96 CO -0.05 0.60 0.25 -0.08 0.09 0.00 0.00 178.44 179.25 1kfy h GLU 97 N 0.09 1.10 -0.08 1.13 4.22 0.44 -1.87 114.58 119.60 1kfy h GLU 97 Ca 0.00 -0.22 -0.08 0.00 0.08 0.00 0.00 59.36 59.15 1kfy h GLU 97 Cb 0.93 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1kfy h GLU 97 CO 0.07 0.92 -0.31 -0.07 -2.18 0.00 0.00 179.01 177.44 1kfy h LEU 98 N 1.06 0.16 -0.60 1.64 3.38 -0.65 -2.22 115.31 118.08 1kfy h LEU 98 Ca 0.24 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1kfy h LEU 98 Cb 0.26 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1kfy h LEU 98 CO -0.01 0.47 0.00 0.79 0.09 0.00 0.00 178.44 179.77 1kfy n TRP 99 N -4.13 0.13 0.00 1.13 8.01 -0.72 -4.91 117.44 116.95 1kfy n TRP 99 Ca -0.01 -0.07 0.00 0.00 -1.31 0.00 0.00 57.50 56.11 1kfy n TRP 99 Cb 0.39 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.69 1kfy n TRP 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1kfy n GLY 100 N 0.95 2.13 3.51 6.99 0.00 -0.84 -4.87 105.19 113.07 1kfy n GLY 100 Ca 0.14 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.52 1kfy n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfy s PRO 102 N 3.25 3.98 0.50 0.00 0.04 -1.26 -4.57 135.00 136.93 1kfy s PRO 102 Ca 1.02 -2.08 -0.20 0.00 0.04 0.00 0.00 61.00 59.78 1kfy s PRO 102 Cb -1.43 -5.39 -0.08 0.00 0.04 0.00 0.00 34.50 27.64 1kfy s PRO 102 CO 0.76 -2.12 1.07 -1.58 0.04 0.00 0.00 177.00 175.17 1kfy s TRP 103 N 3.58 2.91 0.67 0.56 0.52 -1.26 -4.57 118.94 121.34 1kfy s TRP 103 Ca 0.50 1.57 -0.16 0.00 0.02 0.00 0.00 56.10 58.03 1kfy s TRP 103 Cb 0.02 -3.15 0.01 0.00 -1.15 0.00 0.00 33.47 29.20 1kfy s TRP 103 CO 0.04 -1.06 1.15 -1.12 0.02 0.00 0.00 176.95 175.98 1kfy s SER 104 N -1.88 4.85 0.32 2.95 0.01 0.15 -4.92 113.70 115.20 1kfy s SER 104 Ca 0.68 2.15 0.09 0.00 1.31 0.00 0.00 55.95 60.19 1kfy s SER 104 Cb -0.19 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.41 1kfy s SER 104 CO 0.23 -1.81 -0.11 -0.13 0.41 0.00 0.00 173.24 171.83 1kfy s ARG 105 N -3.93 1.76 0.47 12.44 1.81 -1.26 -2.01 118.95 128.23 1kfy s ARG 105 Ca 0.70 -1.89 -0.06 0.00 -1.72 0.00 0.00 55.73 52.76 1kfy s ARG 105 Cb -0.24 -1.64 -0.04 0.00 -0.45 0.00 0.00 34.95 32.58 1kfy s ARG 105 CO 0.41 0.16 0.79 1.03 -0.68 0.00 0.00 175.30 177.01 1kfy s ARG 106 N -3.61 3.57 0.53 3.54 0.52 0.13 -4.64 118.95 119.00 1kfy s ARG 106 Ca 0.32 0.25 0.25 0.00 -0.52 0.00 0.00 55.73 56.03 1kfy s ARG 106 Cb 0.01 -2.37 1.40 0.00 0.52 0.00 0.00 34.95 34.51 1kfy s ARG 106 CO 0.16 -0.19 2.00 -1.35 0.02 0.00 0.00 175.30 175.93 1kfy h PRO 107 N 0.35 0.00 0.00 3.54 0.11 -2.01 0.27 132.00 134.27 1kfy h PRO 107 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1kfy h PRO 107 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1kfy h PRO 107 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 1kfy n ASP 108 N -4.37 0.00 0.00 -2.05 3.85 -1.26 -4.84 116.55 107.88 1kfy n ASP 108 Ca 0.10 -1.62 0.00 0.00 -0.71 0.00 0.00 54.79 52.56 1kfy n ASP 108 Cb 0.61 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.38 1kfy n ASP 108 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1kfy n GLY 109 N 0.33 1.08 3.87 6.12 0.00 0.08 -5.04 105.19 111.63 1kfy n GLY 109 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1kfy n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kfy s SER 110 N -3.06 6.32 0.37 1.61 1.04 -1.26 -4.77 113.70 113.96 1kfy s SER 110 Ca 0.00 1.38 -0.24 0.00 0.48 0.00 0.00 55.95 57.57 1kfy s SER 110 Cb 0.00 -2.45 -0.10 0.00 0.10 0.00 0.00 66.02 63.57 1kfy s SER 110 CO 0.00 -0.76 0.96 0.68 0.98 0.00 0.00 173.24 175.10 1kfy s VAL 111 N -2.99 4.19 0.30 5.02 -7.23 -1.26 0.23 120.40 118.66 1kfy s VAL 111 Ca 0.55 1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 62.34 1kfy s VAL 111 Cb -0.11 -3.82 -0.04 0.00 0.56 0.00 0.00 36.38 32.97 1kfy s VAL 111 CO 0.47 -0.03 0.51 0.21 -0.31 0.00 0.00 175.10 175.96 1kfy s ASN 112 N -1.80 6.35 0.04 4.85 2.47 -0.85 -4.63 114.94 121.36 1kfy s ASN 112 Ca 0.55 0.49 0.00 0.00 0.42 0.00 0.00 52.86 54.33 1kfy s ASN 112 Cb -0.16 -2.05 -0.03 0.00 -1.45 0.00 0.00 41.25 37.56 1kfy s ASN 112 CO 0.21 -0.22 -0.04 0.68 -3.72 0.00 0.00 177.10 174.01 1kfy s VAL 113 N -2.17 0.29 0.28 -5.21 -7.23 -1.26 -4.19 120.40 100.90 1kfy s VAL 113 Ca 0.40 -1.32 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 1kfy s VAL 113 Cb -0.10 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.95 1kfy s VAL 113 CO 0.33 -0.66 0.17 0.00 -0.31 0.00 0.00 175.10 174.63 1kfy s ARG 114 N -2.46 1.50 0.00 4.82 1.70 -0.27 -4.87 118.95 119.38 1kfy s ARG 114 Ca -0.05 -1.84 -0.17 0.00 -0.47 0.00 0.00 55.73 53.19 1kfy s ARG 114 Cb -0.03 0.06 -0.06 0.00 -0.57 0.00 0.00 34.95 34.35 1kfy s ARG 114 CO -0.04 -0.46 0.49 0.50 -1.08 0.00 0.00 175.30 174.72 1kfy s ARG 115 N -3.86 4.12 0.14 3.89 3.52 -1.26 -1.90 118.95 123.60 1kfy s ARG 115 Ca 0.38 0.56 -0.12 0.00 -0.13 0.00 0.00 55.73 56.41 1kfy s ARG 115 Cb 0.05 -3.27 0.01 0.00 -1.56 0.00 0.00 34.95 30.18 1kfy s ARG 115 CO 0.17 0.56 0.33 -0.06 -0.81 0.00 0.00 175.30 175.49 1kfy s PHE 116 N -0.72 0.10 -1.81 5.12 0.40 -1.26 -4.91 117.98 114.90 1kfy s PHE 116 Ca 0.27 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 56.13 1kfy s PHE 116 Cb -0.18 0.10 0.00 0.00 0.51 0.00 0.00 43.02 43.45 1kfy s PHE 116 CO 0.15 -0.70 0.00 0.41 0.70 0.00 0.00 175.22 175.78 1kfy n GLY 117 N -0.20 1.62 2.60 4.36 0.00 -1.26 -2.23 105.19 110.09 1kfy n GLY 117 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1kfy n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfy n GLY 118 N -0.16 0.41 3.73 -0.02 0.00 -1.26 -4.57 105.19 103.32 1kfy n GLY 118 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1kfy n GLY 118 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kfy n MET 119 N -1.72 2.47 -0.09 1.61 2.81 -0.95 -4.87 117.12 116.39 1kfy n MET 119 Ca 0.00 0.87 -0.10 0.00 -1.81 0.00 0.00 57.70 56.66 1kfy n MET 119 Cb 0.13 -2.57 -0.03 0.00 -0.71 0.00 0.00 33.22 30.03 1kfy n MET 119 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1kfy h LYS 120 N 3.60 0.42 -4.95 0.03 3.64 -1.94 -3.40 116.57 113.98 1kfy h LYS 120 Ca -0.48 -0.09 -0.63 0.00 -1.27 0.00 0.00 60.65 58.18 1kfy h LYS 120 Cb 1.25 -0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 32.85 1kfy h LYS 120 CO 0.70 0.49 -0.51 0.42 -2.27 0.00 0.00 179.45 178.27 1kfy s ILE 121 N -5.40 5.32 0.25 2.00 -1.09 -1.26 -5.04 121.20 115.98 1kfy s ILE 121 Ca -0.13 0.18 -0.31 0.00 -2.23 0.00 0.00 60.65 58.15 1kfy s ILE 121 Cb 0.08 -3.52 -0.11 0.00 -1.58 0.00 0.00 42.46 37.32 1kfy s ILE 121 CO 0.73 0.27 1.62 -1.83 -1.23 0.00 0.00 174.94 174.51 1kfy s GLU 122 N 1.59 4.14 0.00 2.79 1.03 -1.26 -4.86 118.70 122.14 1kfy s GLU 122 Ca 0.07 2.54 0.00 0.00 0.03 0.00 0.00 54.97 57.61 1kfy s GLU 122 Cb -0.15 -3.06 0.00 0.00 -0.80 0.00 0.00 34.13 30.12 1kfy s GLU 122 CO 0.09 -0.65 0.68 2.89 -1.33 0.00 0.00 175.26 176.94 1kfy n ARG 123 N 2.98 0.00 -3.16 -4.83 1.85 -1.20 -4.75 116.66 107.55 1kfy n ARG 123 Ca 0.11 -0.44 -0.41 0.00 -1.00 0.00 0.00 57.85 56.11 1kfy n ARG 123 Cb 0.37 -0.23 -0.07 0.00 -1.05 0.00 0.00 32.46 31.48 1kfy n ARG 123 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1kfy s THR 124 N 0.00 4.95 0.38 8.89 2.01 -0.80 -0.69 115.64 130.38 1kfy s THR 124 Ca 0.00 0.59 -0.24 0.00 0.31 0.00 0.00 61.69 62.35 1kfy s THR 124 Cb 0.00 -4.01 -0.10 0.00 0.01 0.00 0.00 72.50 68.40 1kfy s THR 124 CO 0.00 -0.22 0.97 0.26 -0.69 0.00 0.00 174.62 174.93 1kfy s TRP 125 N 2.57 3.44 0.05 4.92 0.52 -0.17 -1.12 118.94 129.15 1kfy s TRP 125 Ca 0.23 1.68 -0.11 0.00 0.02 0.00 0.00 56.10 57.93 1kfy s TRP 125 Cb -0.15 -2.93 0.01 0.00 -1.15 0.00 0.00 33.47 29.24 1kfy s TRP 125 CO 0.13 -0.10 0.23 -0.59 0.02 0.00 0.00 176.95 176.64 1kfy s PHE 126 N -1.86 0.02 -0.79 -1.98 -0.12 -1.26 -1.64 117.98 110.35 1kfy s PHE 126 Ca 0.57 -0.24 0.02 0.00 -0.05 0.00 0.00 56.93 57.23 1kfy s PHE 126 Cb -0.15 0.01 0.21 0.00 -0.63 0.00 0.00 43.02 42.45 1kfy s PHE 126 CO 0.20 -0.47 0.69 0.00 -0.05 0.00 0.00 175.22 175.59 1kfy n ALA 127 N 0.55 3.74 -0.82 1.99 0.00 -1.26 0.31 120.51 125.02 1kfy n ALA 127 Ca -0.18 -4.61 0.00 0.00 0.00 0.00 0.00 53.44 48.65 1kfy n ALA 127 Cb 0.60 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1kfy n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kfy n ALA 128 N 1.88 0.00 -1.66 0.00 0.00 -1.26 -1.69 120.51 117.79 1kfy n ALA 128 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.47 1kfy n ALA 128 Cb 0.36 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.92 1kfy n ALA 128 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1kfy n ASP 129 N -0.56 4.64 -0.89 0.00 3.85 -1.26 -4.33 116.55 118.00 1kfy n ASP 129 Ca 0.00 -3.78 0.05 0.00 -0.71 0.00 0.00 54.79 50.36 1kfy n ASP 129 Cb 0.00 -0.60 0.14 0.00 -1.35 0.00 0.00 41.12 39.32 1kfy n ASP 129 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1kfy n LYS 130 N -0.91 1.04 -0.32 0.11 5.02 -0.68 -4.44 118.16 117.98 1kfy n LYS 130 Ca 0.45 -2.84 0.09 0.00 -2.02 0.00 0.00 58.31 53.99 1kfy n LYS 130 Cb 0.93 -1.07 0.26 0.00 -0.02 0.00 0.00 35.03 35.13 1kfy n LYS 130 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1kfy h THR 131 N 3.04 0.72 -0.34 -0.18 2.02 -1.48 -1.60 112.91 115.09 1kfy h THR 131 Ca -0.08 -0.23 -0.11 0.00 0.77 0.00 0.00 66.41 66.76 1kfy h THR 131 Cb 1.30 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1kfy h THR 131 CO 0.03 0.12 -0.25 1.23 0.37 0.00 0.00 175.52 177.03 1kfy h GLY 132 N 0.68 0.74 0.91 2.16 0.00 -0.68 -2.03 103.07 104.85 1kfy h GLY 132 Ca 0.51 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1kfy h GLY 132 CO -0.37 0.58 0.10 -2.75 0.00 0.00 0.00 176.54 174.10 1kfy h PHE 133 N 0.59 0.52 0.00 5.60 3.57 -1.03 -0.21 116.94 125.98 1kfy h PHE 133 Ca 0.08 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1kfy h PHE 133 Cb 0.74 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1kfy h PHE 133 CO 0.03 0.52 0.00 0.72 -2.23 0.00 0.00 178.31 177.35 1kfy n HIS 134 N -4.68 0.87 -0.12 0.41 8.25 -0.67 -1.48 115.22 117.81 1kfy n HIS 134 Ca -0.02 0.32 -0.24 0.00 -0.26 0.00 0.00 57.72 57.53 1kfy n HIS 134 Cb 0.17 -1.02 -0.10 0.00 1.12 0.00 0.00 29.99 30.15 1kfy n HIS 134 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1kfy n MET 135 N -2.28 0.57 -0.28 -0.41 2.81 -0.79 -2.85 117.12 113.89 1kfy n MET 135 Ca 0.03 0.45 0.03 0.00 -1.81 0.00 0.00 57.70 56.39 1kfy n MET 135 Cb 0.27 -1.64 0.16 0.00 -0.71 0.00 0.00 33.22 31.30 1kfy n MET 135 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1kfy h LEU 136 N -1.00 0.62 -0.28 4.03 5.85 -1.05 0.24 115.31 123.72 1kfy h LEU 136 Ca -0.47 0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.10 1kfy h LEU 136 Cb 1.40 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1kfy h LEU 136 CO -0.29 0.35 -0.71 0.45 -0.34 0.00 0.00 178.44 177.91 1kfy h HIS 137 N 0.74 0.91 0.14 1.25 3.86 -1.43 0.05 115.15 120.67 1kfy h HIS 137 Ca 0.39 -0.38 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1kfy h HIS 137 Cb 0.37 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1kfy h HIS 137 CO -0.07 1.19 -0.12 1.15 0.86 0.00 0.00 177.93 180.94 1kfy h THR 138 N 0.49 0.73 0.51 2.45 2.02 -1.25 0.12 112.91 117.98 1kfy h THR 138 Ca -0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1kfy h THR 138 Cb 1.31 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1kfy h THR 138 CO 0.14 0.00 -0.49 -0.07 0.37 0.00 0.00 175.52 175.47 1kfy h LEU 139 N -0.28 -1.33 -0.52 2.58 3.38 -0.49 0.12 115.31 118.77 1kfy h LEU 139 Ca -0.00 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.18 1kfy h LEU 139 Cb 0.25 0.43 -0.10 0.00 0.09 0.00 0.00 40.66 41.34 1kfy h LEU 139 CO -0.02 -0.65 -0.14 0.15 0.09 0.00 0.00 178.44 177.86 1kfy h PHE 140 N -0.99 -0.32 -0.54 1.13 3.57 -0.87 0.42 116.94 119.35 1kfy h PHE 140 Ca -0.07 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 1kfy h PHE 140 Cb 0.85 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1kfy h PHE 140 CO -0.23 -0.24 -0.04 1.96 -2.23 0.00 0.00 178.31 177.53 1kfy h GLN 141 N -0.02 0.95 -0.66 1.11 4.20 -0.58 -2.59 115.11 117.53 1kfy h GLN 141 Ca 0.25 -0.30 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1kfy h GLN 141 Cb 0.40 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 1kfy h GLN 141 CO -0.54 0.96 0.43 1.15 -0.67 0.00 0.00 178.83 180.17 1kfy h THR 142 N 0.87 1.15 0.00 -0.54 2.02 0.47 -0.73 112.91 116.14 1kfy h THR 142 Ca 0.15 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1kfy h THR 142 Cb 0.57 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1kfy h THR 142 CO 0.03 0.16 0.00 -1.54 0.37 0.00 0.00 175.52 174.54 1kfy n SER 143 N -4.44 0.00 0.22 4.18 3.41 0.02 -2.83 113.62 114.18 1kfy n SER 143 Ca 0.07 -0.04 0.14 0.00 -0.26 0.00 0.00 58.87 58.78 1kfy n SER 143 Cb 0.07 -0.27 0.44 0.00 -0.26 0.00 0.00 64.21 64.19 1kfy n SER 143 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1kfy h LEU 144 N 0.00 0.00 -0.25 1.04 3.38 -1.06 -3.13 115.31 115.29 1kfy h LEU 144 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kfy h LEU 144 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1kfy h LEU 144 CO 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.52 1kfy n GLN 145 N -2.92 1.08 -3.66 1.13 10.64 -1.13 -4.68 117.38 117.85 1kfy n GLN 145 Ca 0.03 -0.25 -0.39 0.00 -1.83 0.00 0.00 57.00 54.55 1kfy n GLN 145 Cb 0.39 -1.49 -0.10 0.00 -0.86 0.00 0.00 30.24 28.17 1kfy n GLN 145 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1kfy s PHE 146 N -2.09 3.37 0.30 2.61 0.40 -1.18 -4.93 117.98 116.46 1kfy s PHE 146 Ca 0.42 -1.71 0.36 0.00 -0.60 0.00 0.00 56.93 55.41 1kfy s PHE 146 Cb 0.21 -2.94 1.89 0.00 0.51 0.00 0.00 43.02 42.69 1kfy s PHE 146 CO 0.38 -0.87 2.10 -1.00 0.70 0.00 0.00 175.22 176.53 1kfy h PRO 147 N 8.32 0.00 -0.38 0.24 0.13 -1.89 -1.62 132.00 136.80 1kfy h PRO 147 Ca -0.21 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.86 1kfy h PRO 147 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1kfy h PRO 147 CO 0.73 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 180.46 1kfy h GLN 148 N 0.00 0.60 -6.53 0.86 7.50 -1.88 -3.40 115.11 112.26 1kfy h GLN 148 Ca 0.00 -0.13 -0.57 0.00 0.50 0.00 0.00 58.65 58.44 1kfy h GLN 148 Cb 0.09 -0.08 -0.08 0.00 0.05 0.00 0.00 27.48 27.45 1kfy h GLN 148 CO 0.00 0.62 0.82 0.42 -1.50 0.00 0.00 178.83 179.18 1kfy s ILE 149 N -4.98 4.29 -0.42 2.54 1.01 -0.61 -0.99 121.20 122.04 1kfy s ILE 149 Ca -0.08 1.06 -0.10 0.00 0.00 0.00 0.00 60.65 61.53 1kfy s ILE 149 Cb 0.15 -4.55 0.07 0.00 0.01 0.00 0.00 42.46 38.14 1kfy s ILE 149 CO 0.78 -0.96 0.26 -1.58 0.00 0.00 0.00 174.94 173.44 1kfy s GLN 150 N 4.23 2.65 0.44 2.79 2.00 0.78 -4.96 119.66 127.60 1kfy s GLN 150 Ca 0.44 -1.40 -0.23 0.00 -2.00 0.00 0.00 55.36 52.17 1kfy s GLN 150 Cb -0.08 -3.79 -0.08 0.00 0.80 0.00 0.00 33.01 29.85 1kfy s GLN 150 CO 0.30 -0.93 1.07 1.03 -0.50 0.00 0.00 175.29 176.26 1kfy s ARG 151 N 1.45 3.97 -0.58 1.67 0.52 -1.26 -2.01 118.95 122.72 1kfy s ARG 151 Ca 0.03 1.52 0.07 0.00 -0.52 0.00 0.00 55.73 56.82 1kfy s ARG 151 Cb -0.23 -2.38 0.25 0.00 0.52 0.00 0.00 34.95 33.12 1kfy s ARG 151 CO 0.03 -0.32 0.70 1.19 0.02 0.00 0.00 175.30 176.92 1kfy n PHE 152 N -0.43 2.68 -1.74 -0.53 3.01 -0.16 -4.91 117.46 115.38 1kfy n PHE 152 Ca 0.07 -4.01 -0.41 0.00 1.01 0.00 0.00 57.45 54.11 1kfy n PHE 152 Cb 0.50 -0.51 0.01 0.00 -0.01 0.00 0.00 39.48 39.48 1kfy n PHE 152 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1kfy n ASP 153 N 0.94 3.16 -3.70 4.37 8.00 -1.26 -3.26 116.55 124.80 1kfy n ASP 153 Ca 0.28 1.14 -0.30 0.00 0.71 0.00 0.00 54.79 56.62 1kfy n ASP 153 Cb 0.44 -1.57 0.04 0.00 -0.02 0.00 0.00 41.12 40.01 1kfy n ASP 153 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1kfy n GLU 154 N 0.03 -1.77 -4.23 -1.24 1.02 0.10 -4.88 120.64 109.67 1kfy n GLU 154 Ca 0.05 0.47 -0.28 0.00 -0.02 0.00 0.00 57.16 57.38 1kfy n GLU 154 Cb 0.40 -4.30 -0.17 0.00 -0.02 0.00 0.00 31.44 27.35 1kfy n GLU 154 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1kfy s HIS 155 N -3.54 1.84 -0.54 -0.32 3.76 -0.34 -2.28 115.29 113.87 1kfy s HIS 155 Ca 0.38 -0.90 -0.17 0.00 -0.15 0.00 0.00 55.06 54.22 1kfy s HIS 155 Cb -0.13 -1.37 0.10 0.00 1.11 0.00 0.00 32.58 32.29 1kfy s HIS 155 CO 0.86 -0.51 0.56 0.12 -0.85 0.00 0.00 174.74 174.92 1kfy s PHE 156 N 1.25 3.15 -0.01 1.40 5.36 -0.50 -2.75 117.98 125.88 1kfy s PHE 156 Ca -0.02 -1.05 -0.30 0.00 -0.96 0.00 0.00 56.93 54.61 1kfy s PHE 156 Cb -0.14 -3.72 -0.08 0.00 -0.34 0.00 0.00 43.02 38.74 1kfy s PHE 156 CO -0.05 -1.07 1.91 0.08 -1.46 0.00 0.00 175.22 174.64 1kfy s VAL 157 N 2.04 3.16 -0.09 3.12 1.01 -1.26 -0.58 120.40 127.80 1kfy s VAL 157 Ca 0.07 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 1kfy s VAL 157 Cb -0.26 -3.13 -0.28 0.00 0.00 0.00 0.00 36.38 32.71 1kfy s VAL 157 CO 0.06 -0.02 0.50 -0.07 0.00 0.00 0.00 175.10 175.57 1kfy h LEU 158 N 10.92 0.49 -7.07 3.92 3.38 -0.97 -3.48 115.31 122.50 1kfy h LEU 158 Ca -0.46 -0.93 0.16 0.00 0.09 0.00 0.00 57.88 56.73 1kfy h LEU 158 Cb 1.22 -0.16 -0.15 0.00 0.09 0.00 0.00 40.66 41.66 1kfy h LEU 158 CO 0.95 1.80 0.58 -0.62 0.09 0.00 0.00 178.44 181.24 1kfy s ASP 159 N -7.15 -0.29 0.41 -0.43 3.68 -1.12 -5.00 116.67 106.78 1kfy s ASP 159 Ca -0.20 -0.04 0.04 0.00 2.13 0.00 0.00 52.55 54.49 1kfy s ASP 159 Cb 0.06 0.33 0.00 0.00 -1.45 0.00 0.00 42.92 41.86 1kfy s ASP 159 CO 0.80 -0.55 0.58 0.27 0.13 0.00 0.00 175.17 176.40 1kfy s ILE 160 N -2.95 3.71 -0.24 4.11 -4.36 -1.26 -0.95 121.20 119.26 1kfy s ILE 160 Ca 0.07 -0.82 -0.02 0.00 -0.26 0.00 0.00 60.65 59.62 1kfy s ILE 160 Cb -0.01 -3.32 0.02 0.00 1.25 0.00 0.00 42.46 40.40 1kfy s ILE 160 CO -0.07 -0.16 -0.06 -0.76 0.24 0.00 0.00 174.94 174.13 1kfy s LEU 161 N -4.38 3.06 0.01 0.37 1.43 -0.68 -4.86 118.68 113.63 1kfy s LEU 161 Ca 0.49 -0.74 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 1kfy s LEU 161 Cb -0.10 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 1kfy s LEU 161 CO 0.34 -0.10 -0.23 -0.69 0.23 0.00 0.00 176.35 175.91 1kfy s VAL 162 N 1.36 1.81 -0.19 -1.59 1.01 -1.26 0.43 120.40 121.97 1kfy s VAL 162 Ca 0.02 -1.09 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 1kfy s VAL 162 Cb -0.16 -1.53 0.08 0.00 0.00 0.00 0.00 36.38 34.77 1kfy s VAL 162 CO -0.05 0.41 0.44 -0.62 0.00 0.00 0.00 175.10 175.28 1kfy s ASP 163 N -0.81 -0.43 -1.34 3.32 3.68 -0.51 -4.94 116.67 115.64 1kfy s ASP 163 Ca 0.09 1.00 -0.05 0.00 2.13 0.00 0.00 52.55 55.72 1kfy s ASP 163 Cb -0.09 1.14 0.02 0.00 -1.45 0.00 0.00 42.92 42.54 1kfy s ASP 163 CO 0.00 -0.22 0.93 -0.67 0.13 0.00 0.00 175.17 175.35 1kfy n ASP 164 N 4.86 -3.17 -0.33 -0.34 2.03 -1.26 -2.42 116.55 115.92 1kfy n ASP 164 Ca -0.15 -0.71 -0.04 0.00 0.52 0.00 0.00 54.79 54.41 1kfy n ASP 164 Cb 0.52 -4.48 -0.02 0.00 -0.72 0.00 0.00 41.12 36.43 1kfy n ASP 164 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kfy n GLY 165 N -1.58 0.65 2.97 0.27 0.00 -1.26 -5.00 105.19 101.24 1kfy n GLY 165 Ca -0.16 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 1kfy n GLY 165 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1kfy s HIS 166 N -1.89 0.48 0.27 1.61 5.04 -1.02 -0.66 115.29 119.12 1kfy s HIS 166 Ca 0.00 -0.16 -0.25 0.00 -1.54 0.00 0.00 55.06 53.11 1kfy s HIS 166 Cb 0.00 -0.30 -0.09 0.00 0.04 0.00 0.00 32.58 32.22 1kfy s HIS 166 CO 0.00 -0.02 0.87 0.54 -2.34 0.00 0.00 174.74 173.79 1kfy s VAL 167 N -0.34 4.29 -0.15 0.89 0.11 -0.64 -1.43 120.40 123.13 1kfy s VAL 167 Ca -0.00 1.72 0.19 0.00 -2.93 0.00 0.00 61.98 60.96 1kfy s VAL 167 Cb -0.03 -4.03 0.45 0.00 -1.53 0.00 0.00 36.38 31.23 1kfy s VAL 167 CO -0.00 0.25 1.17 0.54 -3.33 0.00 0.00 175.10 173.73 1kfy n ARG 168 N 0.85 1.31 0.00 1.54 5.12 0.17 -4.52 116.66 121.12 1kfy n ARG 168 Ca -0.00 -2.98 0.00 0.00 -1.93 0.00 0.00 57.85 52.94 1kfy n ARG 168 Cb 0.50 -1.09 0.00 0.00 -1.16 0.00 0.00 32.46 30.71 1kfy n ARG 168 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1kfy n GLY 169 N -0.31 0.26 3.63 -0.13 0.00 -0.31 -3.59 105.19 104.73 1kfy n GLY 169 Ca 0.15 -2.18 -0.07 0.00 0.00 0.00 0.00 46.02 43.92 1kfy n GLY 169 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1kfy s LEU 170 N 0.00 -0.31 -0.11 0.99 0.05 0.09 -1.69 118.68 117.71 1kfy s LEU 170 Ca 0.00 -0.22 0.01 0.00 0.05 0.00 0.00 54.13 53.98 1kfy s LEU 170 Cb 0.00 2.22 -0.01 0.00 -2.05 0.00 0.00 46.19 46.35 1kfy s LEU 170 CO 0.00 -0.85 -0.16 -0.69 -0.55 0.00 0.00 176.35 174.10 1kfy s VAL 171 N -3.35 2.83 0.31 1.48 1.01 -0.13 -1.14 120.40 121.42 1kfy s VAL 171 Ca 0.08 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1kfy s VAL 171 Cb -0.02 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1kfy s VAL 171 CO -0.04 0.54 0.09 0.00 0.00 0.00 0.00 175.10 175.70 1kfy s ALA 172 N 0.15 2.20 -0.11 5.51 0.00 -0.54 -0.29 121.76 128.69 1kfy s ALA 172 Ca -0.08 -1.83 0.04 0.00 0.00 0.00 0.00 51.96 50.09 1kfy s ALA 172 Cb -0.15 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.83 1kfy s ALA 172 CO 0.05 -0.39 -0.23 1.41 0.00 0.00 0.00 175.76 176.61 1kfy s MET 173 N -3.90 2.99 -0.41 0.00 1.75 0.26 -0.66 119.30 119.32 1kfy s MET 173 Ca 0.35 -0.85 -0.28 0.00 -1.25 0.00 0.00 55.69 53.65 1kfy s MET 173 Cb 0.07 -2.30 0.00 0.00 2.84 0.00 0.00 34.83 35.44 1kfy s MET 173 CO 0.15 0.12 1.53 1.21 -0.65 0.00 0.00 175.02 177.38 1kfy s ASN 174 N 0.48 6.16 0.26 1.11 3.84 0.80 -1.41 114.94 126.18 1kfy s ASN 174 Ca -0.16 0.88 -0.03 0.00 0.21 0.00 0.00 52.86 53.76 1kfy s ASN 174 Cb -0.17 -2.54 0.39 0.00 -0.55 0.00 0.00 41.25 38.38 1kfy s ASN 174 CO 0.06 -1.57 1.87 0.24 -2.79 0.00 0.00 177.10 174.92 1kfy h MET 175 N 11.45 1.10 -0.02 0.43 2.86 -1.77 1.30 114.93 130.28 1kfy h MET 175 Ca -0.29 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.22 1kfy h MET 175 Cb 1.12 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1kfy h MET 175 CO 1.09 0.73 -0.24 1.98 1.06 0.00 0.00 176.91 181.52 1kfy h MET 176 N 1.13 0.19 -0.07 1.72 1.85 -1.87 -1.03 114.93 116.85 1kfy h MET 176 Ca 0.42 -0.18 -0.17 0.00 -0.61 0.00 0.00 59.70 59.16 1kfy h MET 176 Cb 0.17 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.24 1kfy h MET 176 CO -0.18 0.88 -0.70 0.93 -0.40 0.00 0.00 176.91 177.45 1kfy h GLU 177 N -0.44 0.34 -0.06 0.39 4.39 -1.75 -3.19 114.58 114.27 1kfy h GLU 177 Ca -0.02 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.38 1kfy h GLU 177 Cb 0.95 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1kfy h GLU 177 CO 0.05 0.91 -0.02 0.41 -1.16 0.00 0.00 179.01 179.19 1kfy n GLY 178 N 0.49 0.48 3.67 -3.84 0.00 0.44 -4.61 105.19 101.82 1kfy n GLY 178 Ca -0.04 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 1kfy n GLY 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kfy s THR 179 N -2.04 4.13 0.38 2.61 -4.23 -1.19 -4.89 115.64 110.40 1kfy s THR 179 Ca 0.00 -0.51 -0.23 0.00 -1.18 0.00 0.00 61.69 59.77 1kfy s THR 179 Cb 0.00 -2.80 -0.10 0.00 1.34 0.00 0.00 72.50 70.94 1kfy s THR 179 CO 0.00 0.45 0.94 -0.76 -0.54 0.00 0.00 174.62 174.71 1kfy s LEU 180 N -1.32 4.13 0.04 4.79 1.43 -1.26 -0.14 118.68 126.35 1kfy s LEU 180 Ca 0.17 1.74 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 1kfy s LEU 180 Cb -0.11 -4.28 -0.02 0.00 0.03 0.00 0.00 46.19 41.80 1kfy s LEU 180 CO 0.07 -0.22 -0.08 -0.69 0.23 0.00 0.00 176.35 175.66 1kfy s VAL 181 N -1.91 0.58 -0.25 -1.59 1.01 0.17 -4.33 120.40 114.07 1kfy s VAL 181 Ca 0.56 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 1kfy s VAL 181 Cb -0.13 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.64 1kfy s VAL 181 CO 0.18 -0.38 -0.08 -1.10 0.00 0.00 0.00 175.10 173.73 1kfy s GLN 182 N -1.61 2.66 -0.22 2.72 -0.21 -0.45 -1.46 119.66 121.09 1kfy s GLN 182 Ca -0.09 -1.09 -0.07 0.00 0.02 0.00 0.00 55.36 54.13 1kfy s GLN 182 Cb -0.10 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 30.93 1kfy s GLN 182 CO 0.00 -0.45 0.05 0.42 -2.12 0.00 0.00 175.29 173.19 1kfy s ILE 183 N 1.26 4.33 -0.18 1.08 1.01 -0.29 -0.63 121.20 127.79 1kfy s ILE 183 Ca -0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 1kfy s ILE 183 Cb -0.17 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 1kfy s ILE 183 CO -0.05 0.39 0.19 -0.13 0.00 0.00 0.00 174.94 175.34 1kfy s ARG 184 N 1.18 4.16 -0.02 2.79 1.81 0.08 -0.73 118.95 128.22 1kfy s ARG 184 Ca 0.04 -0.10 -0.29 0.00 -1.72 0.00 0.00 55.73 53.66 1kfy s ARG 184 Cb -0.14 -3.40 0.08 0.00 -0.45 0.00 0.00 34.95 31.03 1kfy s ARG 184 CO 0.03 0.32 0.70 0.00 -0.68 0.00 0.00 175.30 175.66 1kfy s ALA 185 N 0.29 -1.75 -1.22 2.13 0.00 -1.24 -1.81 121.76 118.16 1kfy s ALA 185 Ca 0.12 1.18 0.18 0.00 0.00 0.00 0.00 51.96 53.43 1kfy s ALA 185 Cb -0.12 0.12 0.70 0.00 0.00 0.00 0.00 23.12 23.82 1kfy s ALA 185 CO 0.01 -0.45 1.60 0.09 0.00 0.00 0.00 175.76 177.01 1kfy n ASN 186 N 0.62 4.59 -3.63 0.00 3.02 -1.22 -1.16 115.26 117.48 1kfy n ASN 186 Ca -0.18 -2.40 -0.02 0.00 -0.03 0.00 0.00 54.58 51.95 1kfy n ASN 186 Cb 0.59 -0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 39.14 1kfy n ASN 186 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kfy s ALA 187 N -1.79 -2.06 -0.06 5.41 0.00 -1.26 -4.40 121.76 117.61 1kfy s ALA 187 Ca 0.50 2.35 0.05 0.00 0.00 0.00 0.00 51.96 54.85 1kfy s ALA 187 Cb 0.32 -1.72 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 1kfy s ALA 187 CO 0.25 -0.81 -0.20 0.08 0.00 0.00 0.00 175.76 175.07 1kfy s VAL 188 N 2.59 1.71 -0.19 0.00 1.01 -0.79 -1.76 120.40 122.97 1kfy s VAL 188 Ca -0.07 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1kfy s VAL 188 Cb -0.10 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1kfy s VAL 188 CO -0.19 0.48 -0.03 -0.69 0.00 0.00 0.00 175.10 174.67 1kfy s VAL 189 N 0.06 3.65 -0.24 2.92 1.01 -0.47 -0.30 120.40 127.02 1kfy s VAL 189 Ca -0.07 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 1kfy s VAL 189 Cb -0.13 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1kfy s VAL 189 CO 0.04 0.45 0.47 -0.04 0.00 0.00 0.00 175.10 176.02 1kfy s MET 190 N 0.97 4.10 -0.33 2.72 -1.94 0.16 -0.60 119.30 124.37 1kfy s MET 190 Ca 0.00 0.27 0.17 0.00 -1.71 0.00 0.00 55.69 54.42 1kfy s MET 190 Cb -0.15 -3.62 0.44 0.00 2.01 0.00 0.00 34.83 33.52 1kfy s MET 190 CO 0.01 -0.26 0.96 0.00 -0.01 0.00 0.00 175.02 175.72 1kfy n ALA 191 N 5.22 3.08 1.34 3.03 0.00 -0.49 -0.46 120.51 132.23 1kfy n ALA 191 Ca -0.06 -3.00 0.12 0.00 0.00 0.00 0.00 53.44 50.50 1kfy n ALA 191 Cb 0.50 -0.95 0.43 0.00 0.00 0.00 0.00 19.45 19.44 1kfy n ALA 191 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1kfy n THR 192 N -0.07 0.14 -1.17 0.00 -2.24 -1.25 -4.44 114.28 105.25 1kfy n THR 192 Ca 0.10 -0.31 0.01 0.00 -2.27 0.00 0.00 64.05 61.58 1kfy n THR 192 Cb 0.81 0.38 -0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1kfy n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfy n GLY 193 N 1.14 -2.19 0.00 3.38 0.00 -1.26 -4.76 105.19 101.49 1kfy n GLY 193 Ca 0.17 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1kfy n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfy n GLY 194 N -0.85 -0.63 1.11 -0.02 0.00 -1.25 -3.10 105.19 100.44 1kfy n GLY 194 Ca 0.00 -1.53 0.03 0.00 0.00 0.00 0.00 46.02 44.52 1kfy n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfy n ALA 195 N -3.00 2.34 -0.16 4.61 0.00 -1.26 -2.40 120.51 120.63 1kfy n ALA 195 Ca 0.00 -2.03 0.28 0.00 0.00 0.00 0.00 53.44 51.69 1kfy n ALA 195 Cb 0.00 -0.63 0.72 0.00 0.00 0.00 0.00 19.45 19.54 1kfy n ALA 195 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1kfy h GLY 196 N 0.68 0.00 0.50 0.00 0.00 -1.90 -1.56 103.07 100.79 1kfy h GLY 196 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1kfy h GLY 196 CO 0.06 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.14 1kfy n ARG 197 N -4.21 0.22 0.00 4.80 5.12 -1.03 -1.19 116.66 120.36 1kfy n ARG 197 Ca 0.18 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.23 1kfy n ARG 197 Cb 0.95 -1.25 0.44 0.00 -1.16 0.00 0.00 32.46 31.44 1kfy n ARG 197 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1kfy n VAL 198 N -0.75 0.00 -3.58 1.55 0.24 -0.59 -4.82 118.33 110.38 1kfy n VAL 198 Ca 0.03 -0.06 -0.35 0.00 -2.04 0.00 0.00 64.34 61.91 1kfy n VAL 198 Cb 0.01 0.12 -0.06 0.00 -1.47 0.00 0.00 33.84 32.45 1kfy n VAL 198 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1kfy s TYR 199 N -2.67 3.62 0.10 6.34 1.51 -0.33 -3.31 117.35 122.60 1kfy s TYR 199 Ca 0.21 0.81 -0.29 0.00 -1.01 0.00 0.00 57.07 56.80 1kfy s TYR 199 Cb 0.19 -2.17 -0.12 0.00 -0.11 0.00 0.00 41.96 39.75 1kfy s TYR 199 CO 0.55 0.56 1.64 -0.09 -1.11 0.00 0.00 175.55 177.10 1kfy h ARG 200 N 4.00 -0.56 -5.06 -0.62 1.12 -1.84 -3.40 114.38 108.02 1kfy h ARG 200 Ca -0.50 0.04 -0.65 0.00 -1.11 0.00 0.00 59.98 57.76 1kfy h ARG 200 Cb 1.20 0.13 -0.25 0.00 -0.01 0.00 0.00 29.97 31.04 1kfy h ARG 200 CO 0.65 -0.37 -0.69 0.71 -3.11 0.00 0.00 179.97 177.16 1kfy s TYR 201 N -6.05 3.00 0.33 2.20 1.51 -1.26 -5.04 117.35 112.04 1kfy s TYR 201 Ca -0.16 -0.64 -0.08 0.00 -1.01 0.00 0.00 57.07 55.18 1kfy s TYR 201 Cb 0.07 -2.10 0.01 0.00 -0.11 0.00 0.00 41.96 39.83 1kfy s TYR 201 CO 0.64 -0.37 0.53 0.54 -1.11 0.00 0.00 175.55 175.78 1kfy s ASN 202 N 1.22 0.49 0.00 2.29 2.20 -1.26 -2.55 114.94 117.33 1kfy s ASN 202 Ca 0.03 -1.28 0.22 0.00 -0.94 0.00 0.00 52.86 50.89 1kfy s ASN 202 Cb -0.15 0.68 0.18 0.00 -2.00 0.00 0.00 41.25 39.96 1kfy s ASN 202 CO 0.00 -1.33 1.20 0.35 -2.94 0.00 0.00 177.10 174.38 1kfy n THR 203 N -0.51 0.02 -2.41 0.54 -2.24 -0.53 -4.19 114.28 104.96 1kfy n THR 203 Ca -0.01 -0.51 -0.29 0.00 -2.27 0.00 0.00 64.05 60.97 1kfy n THR 203 Cb 0.61 1.44 0.00 0.00 -2.10 0.00 0.00 70.33 70.28 1kfy n THR 203 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1kfy s ASN 204 N -1.80 6.26 0.56 3.42 0.02 -1.26 -4.77 114.94 117.37 1kfy s ASN 204 Ca 0.26 1.08 -0.16 0.00 -1.02 0.00 0.00 52.86 53.02 1kfy s ASN 204 Cb 0.18 -2.32 -0.06 0.00 0.02 0.00 0.00 41.25 39.08 1kfy s ASN 204 CO 0.27 -0.66 1.02 -0.83 0.02 0.00 0.00 177.10 176.92 1kfy s GLY 205 N -4.09 2.06 0.46 0.66 0.00 -1.26 -4.91 107.32 100.24 1kfy s GLY 205 Ca 0.50 0.25 0.22 0.00 0.00 0.00 0.00 44.72 45.69 1kfy s GLY 205 CO 0.47 0.55 1.63 -1.33 0.00 0.00 0.00 173.10 174.42 1kfy h GLY 206 N 0.62 0.00 -0.07 0.20 0.00 -1.99 -1.68 103.07 100.15 1kfy h GLY 206 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1kfy h GLY 206 CO 0.60 0.00 -0.28 0.29 0.00 0.00 0.00 176.54 177.15 1kfy n ILE 207 N -2.43 0.00 -2.18 2.60 -5.35 -1.26 -4.60 119.36 106.14 1kfy n ILE 207 Ca -0.01 -0.17 -0.42 0.00 -0.27 0.00 0.00 62.75 61.88 1kfy n ILE 207 Cb 0.29 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 1kfy n ILE 207 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1kfy n VAL 208 N -0.45 4.08 1.05 7.28 0.31 -0.63 -4.61 118.33 125.35 1kfy n VAL 208 Ca 0.12 -4.00 0.11 0.00 -0.01 0.00 0.00 64.34 60.57 1kfy n VAL 208 Cb 0.37 -2.43 0.06 0.00 -0.91 0.00 0.00 33.84 30.94 1kfy n VAL 208 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1kfy n THR 209 N 3.92 0.00 -1.91 2.52 -2.24 -1.26 -2.47 114.28 112.84 1kfy n THR 209 Ca 0.43 -0.21 -0.03 0.00 -2.27 0.00 0.00 64.05 61.98 1kfy n THR 209 Cb 0.37 1.05 -0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1kfy n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfy n GLY 210 N 1.41 0.31 0.38 3.38 0.00 -1.01 -3.98 105.19 105.68 1kfy n GLY 210 Ca 0.09 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 1kfy n GLY 210 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1kfy h ASP 211 N 0.00 -1.09 -0.70 1.61 5.19 -1.87 -1.21 116.42 118.35 1kfy h ASP 211 Ca -0.07 0.12 0.15 0.00 -0.62 0.00 0.00 57.03 56.61 1kfy h ASP 211 Cb 0.92 0.41 -0.13 0.00 0.18 0.00 0.00 39.33 40.71 1kfy h ASP 211 CO 0.08 -0.46 -0.06 1.23 -3.12 0.00 0.00 179.24 176.91 1kfy h GLY 212 N -0.63 0.69 0.99 2.75 0.00 -1.89 0.32 103.07 105.30 1kfy h GLY 212 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1kfy h GLY 212 CO -0.20 -0.26 0.14 -0.33 0.00 0.00 0.00 176.54 175.89 1kfy h MET 213 N 0.07 0.30 -0.95 4.80 2.86 -1.76 -2.70 114.93 117.55 1kfy h MET 213 Ca 0.37 -0.02 0.15 0.00 -2.06 0.00 0.00 59.70 58.13 1kfy h MET 213 Cb 0.61 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.12 1kfy h MET 213 CO -0.65 0.22 0.60 0.78 1.06 0.00 0.00 176.91 178.92 1kfy h GLY 214 N 0.29 1.41 1.17 8.32 0.00 0.24 -1.17 103.07 113.32 1kfy h GLY 214 Ca 0.08 -0.34 -0.18 0.00 0.00 0.00 0.00 47.33 46.89 1kfy h GLY 214 CO -0.02 0.07 -0.53 -0.33 0.00 0.00 0.00 176.54 175.73 1kfy h MET 215 N 0.77 0.88 -0.01 4.80 2.86 -0.98 -2.84 114.93 120.39 1kfy h MET 215 Ca 0.49 -0.54 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 1kfy h MET 215 Cb 0.73 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1kfy h MET 215 CO -0.25 1.18 -0.48 0.00 1.06 0.00 0.00 176.91 178.42 1kfy h ALA 216 N 0.71 1.18 -0.85 6.32 0.00 -1.08 -2.70 119.26 122.85 1kfy h ALA 216 Ca 0.02 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1kfy h ALA 216 Cb 1.14 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1kfy h ALA 216 CO 0.12 0.61 0.40 -0.07 0.00 0.00 0.00 179.25 180.31 1kfy h LEU 217 N 0.02 1.11 -1.79 0.00 3.38 -1.11 -2.20 115.31 114.73 1kfy h LEU 217 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1kfy h LEU 217 Cb 0.86 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1kfy h LEU 217 CO 0.06 0.93 0.00 0.28 0.09 0.00 0.00 178.44 179.81 1kfy h SER 218 N 1.21 0.00 -0.74 -0.43 0.02 -1.24 -2.97 113.55 109.39 1kfy h SER 218 Ca 0.29 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.75 1kfy h SER 218 Cb 0.12 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.38 1kfy h SER 218 CO -0.04 0.00 0.06 1.41 -1.14 0.00 0.00 176.83 177.12 1kfy n HIS 219 N -2.80 2.47 -0.57 3.45 8.25 -1.01 -4.95 115.22 120.06 1kfy n HIS 219 Ca -0.01 -2.28 0.00 0.00 -0.26 0.00 0.00 57.72 55.17 1kfy n HIS 219 Cb 0.18 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.49 1kfy n HIS 219 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kfy n GLY 220 N -0.93 0.71 3.76 -1.41 0.00 -1.12 -4.97 105.19 101.22 1kfy n GLY 220 Ca 0.49 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.11 1kfy n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfy s VAL 221 N -2.35 4.15 0.15 1.61 1.01 -0.86 -4.97 120.40 119.15 1kfy s VAL 221 Ca 0.00 1.98 -0.05 0.00 0.00 0.00 0.00 61.98 63.91 1kfy s VAL 221 Cb 0.00 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 1kfy s VAL 221 CO 0.00 0.50 0.39 -2.16 0.00 0.00 0.00 175.10 173.83 1kfy s PRO 222 N -1.20 3.63 -0.27 2.72 0.04 -1.26 -3.94 135.00 134.73 1kfy s PRO 222 Ca 0.40 -0.07 -0.13 0.00 0.04 0.00 0.00 61.00 61.24 1kfy s PRO 222 Cb -0.25 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 1kfy s PRO 222 CO 0.30 0.45 0.26 -0.51 0.04 0.00 0.00 177.00 177.54 1kfy s LEU 223 N -2.71 4.05 0.11 -3.56 1.43 0.10 -1.39 118.68 116.71 1kfy s LEU 223 Ca 0.42 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.52 1kfy s LEU 223 Cb -0.12 -2.25 -0.06 0.00 0.03 0.00 0.00 46.19 43.79 1kfy s LEU 223 CO 0.25 -0.08 0.50 -0.60 0.23 0.00 0.00 176.35 176.64 1kfy s ARG 224 N 1.74 3.93 -1.46 1.70 3.52 -0.09 -1.68 118.95 126.61 1kfy s ARG 224 Ca 0.11 0.41 -0.15 0.00 -0.13 0.00 0.00 55.73 55.97 1kfy s ARG 224 Cb -0.16 -3.00 0.13 0.00 -1.56 0.00 0.00 34.95 30.37 1kfy s ARG 224 CO 0.10 0.53 0.61 -0.25 -0.81 0.00 0.00 175.30 175.48 1kfy n ASP 225 N 0.98 -3.15 0.00 -2.12 8.00 0.54 -1.65 116.55 119.15 1kfy n ASP 225 Ca -0.07 -0.71 0.03 0.00 0.71 0.00 0.00 54.79 54.74 1kfy n ASP 225 Cb 0.52 -2.61 0.13 0.00 -0.02 0.00 0.00 41.12 39.14 1kfy n ASP 225 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1kfy n MET 226 N -3.98 0.03 0.05 -1.24 2.81 -1.26 -2.56 117.12 110.96 1kfy n MET 226 Ca 0.05 0.34 0.13 0.00 -1.81 0.00 0.00 57.70 56.41 1kfy n MET 226 Cb 0.50 -1.50 0.52 0.00 -0.71 0.00 0.00 33.22 32.03 1kfy n MET 226 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1kfy n GLU 227 N -1.43 0.12 -3.05 0.03 0.00 -1.26 -4.46 120.64 110.60 1kfy n GLU 227 Ca 0.02 0.11 -0.45 0.00 0.00 0.00 0.00 57.16 56.84 1kfy n GLU 227 Cb 0.06 -1.64 -0.01 0.00 0.00 0.00 0.00 31.44 29.85 1kfy n GLU 227 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1kfy s PHE 228 N -3.05 3.48 -0.33 -1.84 0.40 -1.06 -4.70 117.98 110.88 1kfy s PHE 228 Ca 0.12 -1.88 -0.12 0.00 -0.60 0.00 0.00 56.93 54.46 1kfy s PHE 228 Cb 0.16 -4.17 -0.01 0.00 0.51 0.00 0.00 43.02 39.51 1kfy s PHE 228 CO 0.55 -1.32 0.21 0.08 0.70 0.00 0.00 175.22 175.44 1kfy s VAL 229 N 1.46 4.97 -0.11 -0.44 1.01 -1.26 -2.68 120.40 123.35 1kfy s VAL 229 Ca 0.33 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1kfy s VAL 229 Cb -0.06 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1kfy s VAL 229 CO -0.06 -0.01 1.09 -1.58 0.00 0.00 0.00 175.10 174.53 1kfy s GLN 230 N 1.67 4.37 -0.00 2.72 0.74 -0.42 -4.92 119.66 123.81 1kfy s GLN 230 Ca 0.05 1.49 -0.01 0.00 0.05 0.00 0.00 55.36 56.94 1kfy s GLN 230 Cb -0.17 -3.57 -0.04 0.00 1.10 0.00 0.00 33.01 30.32 1kfy s GLN 230 CO 0.09 -0.42 0.12 0.71 -0.55 0.00 0.00 175.29 175.24 1kfy s TYR 231 N 2.33 3.40 -0.20 1.67 1.51 -1.26 -1.23 117.35 123.57 1kfy s TYR 231 Ca 0.50 0.27 -0.12 0.00 -1.01 0.00 0.00 57.07 56.71 1kfy s TYR 231 Cb -0.20 -1.77 -0.05 0.00 -0.11 0.00 0.00 41.96 39.83 1kfy s TYR 231 CO 0.17 0.59 0.23 -1.58 -1.11 0.00 0.00 175.55 173.86 1kfy s HIS 232 N -1.26 3.39 0.48 2.71 2.46 0.16 -4.85 115.29 118.39 1kfy s HIS 232 Ca 0.25 0.43 0.17 0.00 0.47 0.00 0.00 55.06 56.38 1kfy s HIS 232 Cb -0.12 -2.31 1.18 0.00 -0.13 0.00 0.00 32.58 31.19 1kfy s HIS 232 CO 0.16 0.16 2.05 -1.00 -2.47 0.00 0.00 174.74 173.64 1kfy h PRO 233 N 7.02 0.19 -3.97 2.88 0.13 -1.88 0.21 132.00 136.59 1kfy h PRO 233 Ca -0.39 -0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.06 1kfy h PRO 233 Cb 1.16 -0.04 -0.39 0.00 0.13 0.00 0.00 31.00 31.86 1kfy h PRO 233 CO 0.72 0.13 -0.60 0.95 -0.23 0.00 0.00 178.00 178.97 1kfy s THR 234 N -5.21 2.80 0.09 1.56 -4.23 -1.26 -1.94 115.64 107.45 1kfy s THR 234 Ca -0.06 -2.79 0.05 0.00 -1.18 0.00 0.00 61.69 57.71 1kfy s THR 234 Cb 0.19 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 1kfy s THR 234 CO 0.72 -0.74 -0.12 -0.83 -0.54 0.00 0.00 174.62 173.11 1kfy s GLY 235 N 0.54 0.88 0.39 3.99 0.00 -0.69 -1.76 107.32 110.67 1kfy s GLY 235 Ca 0.14 -1.12 -0.25 0.00 0.00 0.00 0.00 44.72 43.49 1kfy s GLY 235 CO -0.04 -1.18 1.09 1.08 0.00 0.00 0.00 173.10 174.05 1kfy s LEU 236 N -2.16 4.18 0.64 0.66 1.43 -0.43 -0.56 118.68 122.43 1kfy s LEU 236 Ca 0.03 2.14 -0.18 0.00 -1.03 0.00 0.00 54.13 55.09 1kfy s LEU 236 Cb -0.06 -4.11 -0.01 0.00 0.03 0.00 0.00 46.19 42.04 1kfy s LEU 236 CO 0.01 -0.53 1.25 -2.16 0.23 0.00 0.00 176.35 175.15 1kfy s PRO 237 N -2.38 2.66 0.00 1.29 0.04 -1.26 -0.65 135.00 134.70 1kfy s PRO 237 Ca 0.57 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1kfy s PRO 237 Cb -0.25 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1kfy s PRO 237 CO 0.32 -1.48 0.00 0.41 0.04 0.00 0.00 177.00 176.28 1kfy n GLY 238 N 0.69 0.83 0.24 0.56 0.00 -1.25 -4.13 105.19 102.13 1kfy n GLY 238 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 1kfy n GLY 238 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kfy h SER 239 N 0.00 0.51 0.00 1.61 4.64 -1.95 -3.47 113.55 114.89 1kfy h SER 239 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1kfy h SER 239 Cb 0.00 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1kfy h SER 239 CO 0.00 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 1kfy n GLY 240 N -0.45 0.58 3.72 -0.77 0.00 0.18 -4.58 105.19 103.86 1kfy n GLY 240 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1kfy n GLY 240 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kfy n ILE 241 N -2.38 1.39 -2.43 -0.61 5.41 -1.26 -3.74 119.36 115.74 1kfy n ILE 241 Ca 0.00 -0.35 -0.42 0.00 1.00 0.00 0.00 62.75 62.98 1kfy n ILE 241 Cb 0.06 -1.73 -0.03 0.00 -0.71 0.00 0.00 39.64 37.23 1kfy n ILE 241 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1kfy s LEU 242 N -0.68 4.28 -0.82 1.39 2.96 -1.26 -1.32 118.68 123.24 1kfy s LEU 242 Ca 0.61 1.84 -0.12 0.00 -0.22 0.00 0.00 54.13 56.25 1kfy s LEU 242 Cb -0.56 -3.56 0.21 0.00 0.50 0.00 0.00 46.19 42.79 1kfy s LEU 242 CO 0.55 -0.60 0.74 -0.04 -1.32 0.00 0.00 176.35 175.67 1kfy s MET 243 N 2.27 3.49 0.27 1.98 -1.94 -0.72 -4.99 119.30 119.65 1kfy s MET 243 Ca 0.57 -2.53 -0.13 0.00 -1.71 0.00 0.00 55.69 51.88 1kfy s MET 243 Cb -0.25 -4.33 -0.10 0.00 2.01 0.00 0.00 34.83 32.16 1kfy s MET 243 CO 0.22 -1.27 0.04 -2.37 -0.01 0.00 0.00 175.02 171.63 1kfy n THR 244 N 3.80 0.35 0.22 2.05 5.66 -1.26 -4.74 114.28 120.36 1kfy n THR 244 Ca 0.14 -0.32 0.18 0.00 -3.05 0.00 0.00 64.05 60.99 1kfy n THR 244 Cb 0.45 0.00 0.86 0.00 -1.55 0.00 0.00 70.33 70.09 1kfy n THR 244 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1kfy h GLU 245 N 0.18 0.00 -1.04 1.09 4.81 -1.97 -1.99 114.58 115.66 1kfy h GLU 245 Ca -0.24 0.00 0.27 0.00 -0.13 0.00 0.00 59.36 59.27 1kfy h GLU 245 Cb 0.92 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.22 1kfy h GLU 245 CO 0.29 0.00 0.69 0.78 -0.73 0.00 0.00 179.01 180.04 1kfy h GLY 246 N 0.00 0.90 1.07 1.92 0.00 -1.95 0.24 103.07 105.25 1kfy h GLY 246 Ca 0.07 -0.16 0.13 0.00 0.00 0.00 0.00 47.33 47.38 1kfy h GLY 246 CO -0.00 -0.09 0.34 0.00 0.00 0.00 0.00 176.54 176.78 1kfy n ARG 248 N -4.30 0.71 0.13 0.00 1.74 0.79 -0.90 116.66 114.84 1kfy n ARG 248 Ca 0.08 0.25 0.10 0.00 -0.77 0.00 0.00 57.85 57.51 1kfy n ARG 248 Cb 0.54 -1.71 0.49 0.00 -1.02 0.00 0.00 32.46 30.76 1kfy n ARG 248 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kfy n GLY 249 N 1.88 -0.96 1.42 -0.13 0.00 -0.80 -0.47 105.19 106.13 1kfy n GLY 249 Ca -0.29 0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1kfy n GLY 249 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kfy n GLU 250 N -2.14 3.84 -0.27 1.61 -0.58 -0.67 -4.93 120.64 117.50 1kfy n GLU 250 Ca 0.00 -2.90 0.00 0.00 -0.42 0.00 0.00 57.16 53.84 1kfy n GLU 250 Cb 0.10 -1.96 0.00 0.00 -0.57 0.00 0.00 31.44 29.01 1kfy n GLU 250 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kfy n GLY 251 N 0.45 0.85 3.78 0.62 0.00 0.38 -4.82 105.19 106.45 1kfy n GLY 251 Ca 0.24 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1kfy n GLY 251 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kfy s GLY 252 N -2.13 2.48 0.19 -0.02 0.00 -0.07 -4.91 107.32 102.86 1kfy s GLY 252 Ca 0.00 0.70 0.09 0.00 0.00 0.00 0.00 44.72 45.51 1kfy s GLY 252 CO 0.00 1.05 -0.17 -0.26 0.00 0.00 0.00 173.10 173.72 1kfy s ILE 253 N -1.97 1.86 -0.18 0.90 -4.36 -0.00 -4.64 121.20 112.81 1kfy s ILE 253 Ca 0.70 -2.10 -0.01 0.00 -0.26 0.00 0.00 60.65 58.98 1kfy s ILE 253 Cb -0.21 -1.98 0.00 0.00 1.25 0.00 0.00 42.46 41.52 1kfy s ILE 253 CO 0.30 -0.44 -0.13 -0.76 0.24 0.00 0.00 174.94 174.14 1kfy s LEU 254 N -3.03 2.50 0.10 0.37 1.43 -1.26 0.74 118.68 119.53 1kfy s LEU 254 Ca 0.20 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1kfy s LEU 254 Cb -0.04 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 1kfy s LEU 254 CO 0.08 0.03 -0.16 0.68 0.23 0.00 0.00 176.35 177.20 1kfy s VAL 255 N 1.15 1.37 0.15 -1.59 -7.23 -0.36 -4.19 120.40 109.70 1kfy s VAL 255 Ca 0.01 -1.52 -0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1kfy s VAL 255 Cb -0.14 -1.37 0.03 0.00 0.56 0.00 0.00 36.38 35.45 1kfy s VAL 255 CO -0.05 -0.25 0.20 -0.46 -0.31 0.00 0.00 175.10 174.24 1kfy n ASN 256 N 0.95 0.22 0.07 4.85 0.23 -0.82 -1.17 115.26 119.59 1kfy n ASN 256 Ca -0.19 -1.20 0.05 0.00 -0.53 0.00 0.00 54.58 52.72 1kfy n ASN 256 Cb 0.55 -0.14 0.28 0.00 -2.08 0.00 0.00 39.78 38.39 1kfy n ASN 256 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1kfy n LYS 257 N -1.39 0.06 -0.04 -3.83 2.85 -0.08 -0.17 118.16 115.57 1kfy n LYS 257 Ca 0.03 0.52 0.11 0.00 -1.05 0.00 0.00 58.31 57.92 1kfy n LYS 257 Cb 0.11 -1.69 0.11 0.00 -0.65 0.00 0.00 35.03 32.92 1kfy n LYS 257 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1kfy n ASN 258 N -1.82 2.92 -0.05 -5.58 3.02 -1.26 -4.93 115.26 107.56 1kfy n ASN 258 Ca 0.00 -1.92 -0.01 0.00 -0.03 0.00 0.00 54.58 52.63 1kfy n ASN 258 Cb 0.05 -0.05 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1kfy n ASN 258 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kfy n GLY 259 N 1.25 0.47 3.72 7.41 0.00 0.76 -5.00 105.19 113.80 1kfy n GLY 259 Ca 0.14 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1kfy n GLY 259 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kfy s TYR 260 N -1.91 3.58 -1.40 1.61 5.04 -1.26 -4.74 117.35 118.27 1kfy s TYR 260 Ca 0.00 1.21 -0.15 0.00 -2.44 0.00 0.00 57.07 55.69 1kfy s TYR 260 Cb 0.00 -2.76 0.05 0.00 0.35 0.00 0.00 41.96 39.60 1kfy s TYR 260 CO 0.00 0.12 2.06 0.54 -1.34 0.00 0.00 175.55 176.93 1kfy n ARG 261 N 3.66 2.99 -0.07 4.97 1.74 -1.26 -1.94 116.66 126.74 1kfy n ARG 261 Ca -0.02 -2.85 0.23 0.00 -0.77 0.00 0.00 57.85 54.43 1kfy n ARG 261 Cb 0.51 -3.35 0.44 0.00 -1.02 0.00 0.00 32.46 29.04 1kfy n ARG 261 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 1kfy h TYR 262 N 6.51 0.00 0.00 -1.55 -0.00 -1.93 -2.86 116.97 117.13 1kfy h TYR 262 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.25 1kfy h TYR 262 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.45 1kfy h TYR 262 CO 1.44 0.00 0.03 1.28 -0.00 0.00 0.00 178.16 180.91 1kfy n LEU 263 N -3.20 0.10 0.14 0.10 4.77 -1.26 -1.38 117.00 116.27 1kfy n LEU 263 Ca 0.17 0.52 0.12 0.00 -0.03 0.00 0.00 56.01 56.79 1kfy n LEU 263 Cb 1.28 -0.53 0.26 0.00 -2.33 0.00 0.00 43.42 42.10 1kfy n LEU 263 CO 0.20 -0.55 0.71 0.06 -1.33 0.00 0.00 177.39 176.48 1kfy h GLN 264 N 0.00 0.00 -0.04 3.23 3.07 -1.77 -3.12 115.11 116.48 1kfy h GLN 264 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1kfy h GLN 264 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.62 1kfy h GLN 264 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 178.67 1kfy n ASP 265 N -2.56 1.65 -2.13 0.06 8.00 -0.48 -3.86 116.55 117.24 1kfy n ASP 265 Ca 0.04 -1.57 -0.27 0.00 0.71 0.00 0.00 54.79 53.70 1kfy n ASP 265 Cb 0.48 -0.02 0.03 0.00 -0.02 0.00 0.00 41.12 41.59 1kfy n ASP 265 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1kfy n TYR 266 N 0.29 2.90 -0.88 1.24 4.02 -1.20 -4.93 117.16 118.60 1kfy n TYR 266 Ca 0.18 -2.46 0.00 0.00 -0.01 0.00 0.00 57.90 55.61 1kfy n TYR 266 Cb 0.37 -0.62 0.00 0.00 -0.02 0.00 0.00 39.34 39.07 1kfy n TYR 266 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1kfy n GLY 267 N -0.75 0.75 1.93 2.72 0.00 -1.25 -4.85 105.19 103.74 1kfy n GLY 267 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.50 1kfy n GLY 267 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kfy n MET 268 N -2.00 4.13 -2.29 1.61 2.81 -1.18 -4.97 117.12 115.22 1kfy n MET 268 Ca 0.00 -3.12 -0.22 0.00 -1.81 0.00 0.00 57.70 52.54 1kfy n MET 268 Cb 0.00 -2.23 0.13 0.00 -0.71 0.00 0.00 33.22 30.41 1kfy n MET 268 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kfy n GLY 269 N 0.10 0.24 3.85 3.03 0.00 -1.25 -0.99 105.19 110.17 1kfy n GLY 269 Ca 0.36 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 1kfy n GLY 269 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1kfy s PRO 270 N -5.06 1.99 0.39 1.61 0.02 -1.26 -4.88 135.00 127.81 1kfy s PRO 270 Ca 0.63 0.32 -0.27 0.00 0.02 0.00 0.00 61.00 61.70 1kfy s PRO 270 Cb -0.03 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 1kfy s PRO 270 CO 0.42 -1.61 1.38 -2.00 -0.33 0.00 0.00 177.00 174.86 1kfy s GLU 271 N -5.39 4.03 0.00 5.54 2.12 -1.26 -4.73 118.70 119.02 1kfy s GLU 271 Ca 0.61 2.34 -0.01 0.00 0.36 0.00 0.00 54.97 58.27 1kfy s GLU 271 Cb -0.12 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 1kfy s GLU 271 CO 0.51 -0.51 0.13 0.95 -0.54 0.00 0.00 175.26 175.81 1kfy s THR 272 N -1.18 5.06 0.38 -1.70 -4.23 -1.26 -5.07 115.64 107.64 1kfy s THR 272 Ca 0.55 -0.33 -0.28 0.00 -1.18 0.00 0.00 61.69 60.45 1kfy s THR 272 Cb -0.42 -3.36 -0.11 0.00 1.34 0.00 0.00 72.50 69.96 1kfy s THR 272 CO 0.55 0.31 1.48 -2.84 -0.54 0.00 0.00 174.62 173.58 1kfy s PRO 273 N -1.93 4.09 0.35 3.99 0.02 -1.26 -4.83 135.00 135.43 1kfy s PRO 273 Ca 0.26 2.56 0.22 0.00 0.02 0.00 0.00 61.00 64.06 1kfy s PRO 273 Cb -0.12 -2.95 1.26 0.00 0.02 0.00 0.00 34.50 32.71 1kfy s PRO 273 CO 0.18 -0.55 1.44 1.28 -0.33 0.00 0.00 177.00 179.02 1kfy n LEU 274 N 0.42 0.29 0.03 -5.54 4.77 -1.26 -1.74 117.00 113.97 1kfy n LEU 274 Ca 0.01 1.45 -0.01 0.00 -0.03 0.00 0.00 56.01 57.43 1kfy n LEU 274 Cb 0.39 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 1kfy n LEU 274 CO 0.63 -1.62 0.40 1.23 -1.33 0.00 0.00 177.39 176.71 1kfy h GLY 275 N 0.00 -0.09 -7.29 -0.72 0.00 -1.94 -3.42 103.07 89.62 1kfy h GLY 275 Ca 0.78 0.03 -0.76 0.00 0.00 0.00 0.00 47.33 47.39 1kfy h GLY 275 CO -0.63 -0.03 -0.06 -0.54 0.00 0.00 0.00 176.54 175.27 1kfy s GLU 276 N -2.79 3.16 0.36 4.80 8.01 -0.71 -4.88 118.70 126.65 1kfy s GLU 276 Ca -0.01 -1.83 -0.25 0.00 0.01 0.00 0.00 54.97 52.88 1kfy s GLU 276 Cb 0.00 -4.34 -0.09 0.00 -4.31 0.00 0.00 34.13 25.39 1kfy s GLU 276 CO 0.04 -1.37 1.03 -1.25 0.01 0.00 0.00 175.26 173.73 1kfy s PRO 277 N 1.45 4.33 -0.03 0.39 0.04 -1.26 -4.31 135.00 135.61 1kfy s PRO 277 Ca 0.09 1.52 0.07 0.00 0.04 0.00 0.00 61.00 62.71 1kfy s PRO 277 Cb -0.24 -2.70 -0.01 0.00 0.04 0.00 0.00 34.50 31.59 1kfy s PRO 277 CO 0.00 0.01 -0.23 0.21 0.04 0.00 0.00 177.00 177.03 1kfy s LYS 278 N -2.23 2.08 0.62 4.56 2.20 -1.26 -5.04 119.74 120.66 1kfy s LYS 278 Ca 0.54 -0.84 -0.19 0.00 -0.36 0.00 0.00 55.97 55.12 1kfy s LYS 278 Cb -0.23 -1.91 -0.02 0.00 -1.51 0.00 0.00 37.83 34.16 1kfy s LYS 278 CO 0.29 0.45 1.31 1.21 -0.36 0.00 0.00 175.35 178.25 1kfy s ASN 279 N -0.39 4.80 0.00 1.43 3.84 -1.26 -2.03 114.94 121.33 1kfy s ASN 279 Ca 0.04 2.66 0.00 0.00 0.21 0.00 0.00 52.86 55.78 1kfy s ASN 279 Cb -0.11 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 1kfy s ASN 279 CO 0.01 -1.88 0.00 0.29 -2.79 0.00 0.00 177.10 172.73 1kfy n LYS 280 N -1.66 0.00 -4.23 0.43 5.02 -0.51 -4.99 118.16 112.23 1kfy n LYS 280 Ca 0.14 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.20 1kfy n LYS 280 Cb 0.47 -1.11 -0.07 0.00 -0.02 0.00 0.00 35.03 34.31 1kfy n LYS 280 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1kfy s TYR 281 N -1.72 2.68 0.00 2.13 1.51 -0.86 -4.21 117.35 116.88 1kfy s TYR 281 Ca 0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1kfy s TYR 281 Cb 0.00 -1.40 0.00 0.00 -0.11 0.00 0.00 41.96 40.45 1kfy s TYR 281 CO 0.00 0.50 0.00 -1.33 -1.11 0.00 0.00 175.55 173.61 1kfy n MET 282 N -1.00 0.00 0.06 -0.62 2.81 -0.17 0.11 117.12 118.31 1kfy n MET 282 Ca -0.05 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.87 1kfy n MET 282 Cb 0.60 0.00 0.14 0.00 -0.71 0.00 0.00 33.22 33.26 1kfy n MET 282 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1kfy n GLU 283 N 9.15 0.04 -0.77 0.03 4.71 -1.26 -0.44 120.64 132.09 1kfy n GLU 283 Ca 0.00 0.43 -0.03 0.00 -0.01 0.00 0.00 57.16 57.55 1kfy n GLU 283 Cb 0.00 -1.79 0.21 0.00 -1.01 0.00 0.00 31.44 28.85 1kfy n GLU 283 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1kfy n LEU 284 N -1.61 4.33 0.00 -4.62 4.77 0.29 -4.97 117.00 115.19 1kfy n LEU 284 Ca -0.00 -3.60 -0.22 0.00 -0.03 0.00 0.00 56.01 52.16 1kfy n LEU 284 Cb 0.19 -0.64 0.15 0.00 -2.33 0.00 0.00 43.42 40.79 1kfy n LEU 284 CO 0.02 1.11 0.64 0.61 -1.33 0.00 0.00 177.39 178.44 1kfy n GLY 285 N -0.99 -0.87 3.64 -0.72 0.00 0.41 -1.42 105.19 105.25 1kfy n GLY 285 Ca 0.33 -1.79 -0.49 0.00 0.00 0.00 0.00 46.02 44.08 1kfy n GLY 285 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1kfy n PRO 286 N -3.05 1.76 -0.24 1.61 -0.02 -1.26 -4.81 135.00 129.00 1kfy n PRO 286 Ca 0.13 0.64 -0.12 0.00 -2.02 0.00 0.00 63.50 62.13 1kfy n PRO 286 Cb 0.46 -2.36 -0.09 0.00 -0.02 0.00 0.00 33.50 31.49 1kfy n PRO 286 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1kfy h ARG 287 N 5.59 -0.22 -0.84 -0.52 2.43 -1.97 -1.78 114.38 117.07 1kfy h ARG 287 Ca -0.46 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 58.90 1kfy h ARG 287 Cb 1.29 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.78 1kfy h ARG 287 CO 0.85 -0.15 0.37 -0.44 -1.51 0.00 0.00 179.97 179.09 1kfy h ASP 288 N -0.23 0.36 -0.73 -3.80 3.45 -1.92 -0.69 116.42 112.86 1kfy h ASP 288 Ca 0.10 0.12 -0.06 0.00 0.43 0.00 0.00 57.03 57.62 1kfy h ASP 288 Cb 0.50 0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.33 1kfy h ASP 288 CO -0.70 0.09 0.20 0.11 -1.57 0.00 0.00 179.24 177.38 1kfy h LYS 289 N 0.47 1.15 -0.48 3.56 1.79 -1.73 0.17 116.57 121.50 1kfy h LYS 289 Ca 0.49 -0.26 -0.07 0.00 -2.18 0.00 0.00 60.65 58.62 1kfy h LYS 289 Cb 0.81 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.28 1kfy h LYS 289 CO -0.45 0.99 -0.00 0.28 -1.08 0.00 0.00 179.45 179.19 1kfy h VAL 290 N 1.09 1.24 -0.16 0.50 2.07 -0.38 0.19 116.25 120.81 1kfy h VAL 290 Ca 0.23 -1.01 -0.22 0.00 0.82 0.00 0.00 66.70 66.52 1kfy h VAL 290 Cb 0.34 0.87 0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1kfy h VAL 290 CO -0.00 0.36 -0.75 0.28 0.02 0.00 0.00 177.57 177.47 1kfy h SER 291 N 0.75 0.94 0.10 0.57 0.02 -1.11 -3.14 113.55 111.68 1kfy h SER 291 Ca 0.15 -0.62 -0.14 0.00 -0.84 0.00 0.00 61.79 60.33 1kfy h SER 291 Cb 0.46 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1kfy h SER 291 CO 0.02 1.41 -0.49 1.56 -1.14 0.00 0.00 176.83 178.19 1kfy h GLN 292 N 0.53 0.44 -0.95 3.45 4.20 -0.44 -2.82 115.11 119.53 1kfy h GLN 292 Ca -0.05 -0.25 0.12 0.00 0.06 0.00 0.00 58.65 58.53 1kfy h GLN 292 Cb 1.38 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 29.11 1kfy h GLN 292 CO 0.16 0.83 0.60 0.00 -0.67 0.00 0.00 178.83 179.75 1kfy h ALA 293 N 1.12 1.64 0.06 3.87 0.00 -0.58 -0.77 119.26 124.61 1kfy h ALA 293 Ca 0.02 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1kfy h ALA 293 Cb 0.99 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1kfy h ALA 293 CO 0.09 0.13 -0.26 0.35 0.00 0.00 0.00 179.25 179.55 1kfy h PHE 294 N 0.88 -0.70 -0.49 0.00 3.57 -1.48 0.32 116.94 119.04 1kfy h PHE 294 Ca 0.47 0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.07 1kfy h PHE 294 Cb 0.55 0.30 -0.07 0.00 2.79 0.00 0.00 35.95 39.52 1kfy h PHE 294 CO -0.00 -0.36 0.11 2.35 -2.23 0.00 0.00 178.31 178.18 1kfy h TRP 295 N -0.44 0.18 -0.52 0.41 7.01 -1.15 0.55 115.95 121.99 1kfy h TRP 295 Ca 0.05 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 1kfy h TRP 295 Cb 0.49 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.52 1kfy h TRP 295 CO -0.27 0.01 0.16 0.45 -2.79 0.00 0.00 178.44 176.00 1kfy h HIS 296 N 0.25 0.84 -0.68 2.65 3.86 -0.87 -0.86 115.15 120.34 1kfy h HIS 296 Ca 0.24 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1kfy h HIS 296 Cb 0.32 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1kfy h HIS 296 CO -0.22 0.72 0.39 0.93 0.86 0.00 0.00 177.93 180.61 1kfy h GLU 297 N 0.71 0.94 -0.64 2.45 4.39 0.62 -2.22 114.58 120.83 1kfy h GLU 297 Ca 0.17 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 59.82 1kfy h GLU 297 Cb 0.28 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 1kfy h GLU 297 CO -0.00 0.69 0.36 2.35 -1.16 0.00 0.00 179.01 181.25 1kfy h TRP 298 N 0.93 0.67 -0.66 4.33 7.01 0.65 -0.67 115.95 128.21 1kfy h TRP 298 Ca 0.24 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.27 1kfy h TRP 298 Cb 0.01 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.83 1kfy h TRP 298 CO -0.01 0.34 0.43 0.00 -2.79 0.00 0.00 178.44 176.41 1kfy h ARG 299 N 0.69 0.87 0.00 2.65 2.47 -0.71 -1.53 114.38 118.81 1kfy h ARG 299 Ca 0.28 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 1kfy h ARG 299 Cb 0.14 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1kfy h ARG 299 CO -0.16 0.58 0.00 0.87 0.56 0.00 0.00 179.97 181.82 1kfy h LYS 300 N 0.89 0.00 -0.79 0.04 1.57 -1.13 -3.46 116.57 113.70 1kfy h LYS 300 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1kfy h LYS 300 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1kfy h LYS 300 CO -0.05 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.24 1kfy n GLY 301 N -0.13 0.92 0.69 3.86 0.00 -0.58 -4.99 105.19 104.97 1kfy n GLY 301 Ca 0.01 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.50 1kfy n GLY 301 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kfy n ASN 302 N 1.37 2.43 -4.88 1.61 3.02 -0.31 -4.99 115.26 113.52 1kfy n ASN 302 Ca 0.00 -1.72 -0.30 0.00 -0.03 0.00 0.00 54.58 52.54 1kfy n ASN 302 Cb 0.44 0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.63 1kfy n ASN 302 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1kfy s THR 303 N -1.54 4.79 -0.24 3.41 -4.23 -1.26 -0.90 115.64 115.68 1kfy s THR 303 Ca 0.20 0.58 -0.21 0.00 -1.18 0.00 0.00 61.69 61.09 1kfy s THR 303 Cb 0.15 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.18 1kfy s THR 303 CO 0.24 -0.72 0.64 -0.63 -0.54 0.00 0.00 174.62 173.61 1kfy s ILE 304 N -2.61 4.99 -0.08 2.99 1.09 -0.16 -4.74 121.20 122.68 1kfy s ILE 304 Ca 0.51 1.17 -0.28 0.00 -1.10 0.00 0.00 60.65 60.95 1kfy s ILE 304 Cb -0.10 -3.95 -0.02 0.00 -1.06 0.00 0.00 42.46 37.33 1kfy s ILE 304 CO 0.38 0.05 0.94 -0.55 -0.10 0.00 0.00 174.94 175.66 1kfy s SER 305 N 1.38 7.21 0.18 3.58 0.15 -1.26 -1.68 113.70 123.26 1kfy s SER 305 Ca 0.27 1.48 0.04 0.00 0.70 0.00 0.00 55.95 58.44 1kfy s SER 305 Cb -0.16 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.58 1kfy s SER 305 CO 0.09 -0.34 -0.05 0.42 1.20 0.00 0.00 173.24 174.56 1kfy s THR 306 N 1.58 1.04 0.41 6.45 -4.23 -1.08 -4.99 115.64 114.81 1kfy s THR 306 Ca 0.47 -2.04 0.16 0.00 -1.18 0.00 0.00 61.69 59.10 1kfy s THR 306 Cb -0.19 -2.06 0.37 0.00 1.34 0.00 0.00 72.50 71.96 1kfy s THR 306 CO 0.20 -0.56 1.85 -0.65 -0.54 0.00 0.00 174.62 174.92 1kfy h PRO 307 N 2.66 0.43 -0.18 3.99 0.11 -2.03 0.25 132.00 137.24 1kfy h PRO 307 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1kfy h PRO 307 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1kfy h PRO 307 CO 0.64 0.28 0.00 0.54 -0.21 0.00 0.00 178.00 179.25 1kfy n ARG 308 N -4.53 1.73 0.00 1.05 1.74 -1.26 -5.03 116.66 110.36 1kfy n ARG 308 Ca 0.19 -1.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.18 1kfy n ARG 308 Cb 0.68 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 1kfy n ARG 308 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kfy n GLY 309 N 1.12 2.39 3.76 -0.13 0.00 0.89 -3.92 105.19 109.31 1kfy n GLY 309 Ca 0.16 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 1kfy n GLY 309 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kfy s ASP 310 N 0.00 7.07 0.32 1.61 1.01 -1.26 -2.63 116.67 122.79 1kfy s ASP 310 Ca 0.00 2.35 -0.00 0.00 0.71 0.00 0.00 52.55 55.61 1kfy s ASP 310 Cb 0.00 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 1kfy s ASP 310 CO 0.00 -0.29 0.39 0.68 0.21 0.00 0.00 175.17 176.16 1kfy s VAL 311 N -1.21 0.00 0.23 -1.27 -7.23 -0.68 -4.80 120.40 105.45 1kfy s VAL 311 Ca 0.47 -1.74 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 1kfy s VAL 311 Cb -0.33 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 1kfy s VAL 311 CO 0.43 0.00 -0.03 0.68 -0.31 0.00 0.00 175.10 175.86 1kfy s VAL 312 N -3.30 1.21 -0.22 1.32 -7.23 0.47 -0.99 120.40 111.66 1kfy s VAL 312 Ca 0.34 -2.06 -0.10 0.00 -1.81 0.00 0.00 61.98 58.34 1kfy s VAL 312 Cb 0.01 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 1kfy s VAL 312 CO 0.21 -0.38 0.14 -0.31 -0.31 0.00 0.00 175.10 174.45 1kfy s TYR 313 N -3.30 3.34 -0.65 2.82 2.02 -0.31 -0.37 117.35 120.89 1kfy s TYR 313 Ca 0.27 0.23 -0.19 0.00 -0.37 0.00 0.00 57.07 57.01 1kfy s TYR 313 Cb 0.05 -2.22 0.11 0.00 -0.40 0.00 0.00 41.96 39.50 1kfy s TYR 313 CO 0.08 0.14 0.80 -1.17 -1.57 0.00 0.00 175.55 173.83 1kfy s LEU 314 N 0.77 5.25 -0.31 -1.29 2.96 0.85 -1.22 118.68 125.68 1kfy s LEU 314 Ca 0.07 -1.49 -0.20 0.00 -0.22 0.00 0.00 54.13 52.29 1kfy s LEU 314 Cb -0.13 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.23 1kfy s LEU 314 CO 0.02 -1.14 0.63 -0.62 -1.32 0.00 0.00 176.35 173.92 1kfy s ASP 315 N 3.56 6.49 0.00 3.68 2.15 0.23 -1.92 116.67 130.86 1kfy s ASP 315 Ca 0.16 0.41 0.01 0.00 0.43 0.00 0.00 52.55 53.56 1kfy s ASP 315 Cb -0.20 -2.33 -0.01 0.00 -0.30 0.00 0.00 42.92 40.08 1kfy s ASP 315 CO 0.04 -0.49 0.14 0.18 -0.17 0.00 0.00 175.17 174.87 1kfy n LEU 316 N 5.90 0.26 -0.33 -1.34 4.77 -1.26 -0.82 117.00 124.17 1kfy n LEU 316 Ca -0.01 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1kfy n LEU 316 Cb 0.49 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.64 1kfy n LEU 316 CO 0.46 0.06 0.63 0.03 -1.33 0.00 0.00 177.39 177.24 1kfy h ARG 317 N 0.04 -0.03 0.00 3.23 3.08 -1.83 0.16 114.38 119.04 1kfy h ARG 317 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1kfy h ARG 317 Cb 0.02 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1kfy h ARG 317 CO 0.00 -0.02 0.00 -2.39 -1.07 0.00 0.00 179.97 176.49 1kfy n HIS 318 N -5.51 0.00 0.02 3.04 1.44 -1.26 -2.39 115.22 110.56 1kfy n HIS 318 Ca 0.11 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.63 1kfy n HIS 318 Cb 0.42 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.39 1kfy n HIS 318 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1kfy h LEU 319 N 0.00 0.35 0.00 2.39 -0.00 -0.98 -3.50 115.31 113.57 1kfy h LEU 319 Ca 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 57.88 56.92 1kfy h LEU 319 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.55 1kfy h LEU 319 CO 0.00 1.29 0.00 0.61 -0.00 0.00 0.00 178.44 180.34 1kfy n GLY 320 N 1.63 0.93 0.00 0.83 0.00 -1.01 -4.58 105.19 102.99 1kfy n GLY 320 Ca -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1kfy n GLY 320 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kfy n GLU 321 N 1.53 0.00 -0.23 1.61 -0.58 -1.26 -0.20 120.64 121.51 1kfy n GLU 321 Ca 0.00 0.38 -0.06 0.00 -0.42 0.00 0.00 57.16 57.06 1kfy n GLU 321 Cb 0.00 -0.73 -0.05 0.00 -0.57 0.00 0.00 31.44 30.08 1kfy n GLU 321 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1kfy n LYS 322 N -0.99 -0.24 0.15 3.49 4.01 -1.26 -0.65 118.16 122.67 1kfy n LYS 322 Ca 0.00 0.93 -0.13 0.00 -0.51 0.00 0.00 58.31 58.59 1kfy n LYS 322 Cb 0.00 -1.37 -0.07 0.00 -0.51 0.00 0.00 35.03 33.09 1kfy n LYS 322 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1kfy h LYS 323 N 0.00 -0.39 -0.21 1.97 3.64 -1.67 0.20 116.57 120.11 1kfy h LYS 323 Ca 0.09 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 1kfy h LYS 323 Cb 0.22 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 1kfy h LYS 323 CO -0.51 -0.26 -0.45 -0.07 -2.27 0.00 0.00 179.45 175.90 1kfy h LEU 324 N -0.40 -1.43 -0.87 5.20 3.38 0.18 0.58 115.31 121.94 1kfy h LEU 324 Ca -0.01 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1kfy h LEU 324 Cb 0.37 0.59 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1kfy h LEU 324 CO -0.03 -0.42 0.00 0.45 0.09 0.00 0.00 178.44 178.53 1kfy h HIS 325 N -0.46 0.00 0.00 1.13 3.86 -0.93 1.77 115.15 120.52 1kfy h HIS 325 Ca 0.08 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 1kfy h HIS 325 Cb 0.63 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 1kfy h HIS 325 CO -0.55 0.00 -1.42 -1.91 0.86 0.00 0.00 177.93 174.92 1kfy n GLU 326 N -2.62 0.63 0.00 2.45 2.13 0.68 -4.21 120.64 119.70 1kfy n GLU 326 Ca 0.02 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1kfy n GLU 326 Cb 0.30 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.27 1kfy n GLU 326 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1kfy n ARG 327 N -2.64 3.28 -2.59 5.31 1.74 0.11 -4.88 116.66 116.99 1kfy n ARG 327 Ca -0.05 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.95 1kfy n ARG 327 Cb 0.67 -0.44 0.04 0.00 -1.02 0.00 0.00 32.46 31.71 1kfy n ARG 327 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1kfy n LEU 328 N -0.58 2.57 -0.07 0.55 4.77 0.60 -4.62 117.00 120.22 1kfy n LEU 328 Ca 0.00 -3.62 -0.10 0.00 -0.03 0.00 0.00 56.01 52.26 1kfy n LEU 328 Cb 0.00 0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1kfy n LEU 328 CO 0.00 1.40 0.91 1.55 -1.33 0.00 0.00 177.39 179.93 1kfy h PRO 329 N 2.52 0.36 0.38 3.23 0.13 -1.68 -2.69 132.00 134.25 1kfy h PRO 329 Ca 0.02 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1kfy h PRO 329 Cb 1.32 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1kfy h PRO 329 CO 0.38 0.35 -0.22 0.35 -0.23 0.00 0.00 178.00 178.63 1kfy h PHE 330 N 0.28 -0.59 -1.07 1.56 3.57 -1.91 -2.09 116.94 116.69 1kfy h PHE 330 Ca 0.09 -0.01 0.43 0.00 3.53 0.00 0.00 57.97 62.01 1kfy h PHE 330 Cb 0.10 0.21 -0.17 0.00 2.79 0.00 0.00 35.95 38.88 1kfy h PHE 330 CO -0.03 -0.34 0.61 -0.89 -2.23 0.00 0.00 178.31 175.44 1kfy n ILE 331 N -3.66 -0.37 0.12 1.41 2.08 -1.24 0.03 119.36 117.72 1kfy n ILE 331 Ca -0.07 1.94 -0.13 0.00 0.56 0.00 0.00 62.75 65.05 1kfy n ILE 331 Cb 0.23 -3.16 -0.08 0.00 -0.75 0.00 0.00 39.64 35.87 1kfy n ILE 331 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1kfy h GLU 333 N -0.59 1.24 0.28 0.00 5.08 0.30 -0.13 114.58 120.76 1kfy h GLU 333 Ca -0.03 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1kfy h GLU 333 Cb 0.43 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1kfy h GLU 333 CO 0.05 0.82 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.59 1kfy h LEU 334 N 1.27 -0.56 -0.57 1.33 3.38 -1.14 -0.35 115.31 118.66 1kfy h LEU 334 Ca 0.34 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.45 1kfy h LEU 334 Cb -0.15 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 1kfy h LEU 334 CO -0.07 -0.33 0.17 0.00 0.09 0.00 0.00 178.44 178.29 1kfy h ALA 335 N 0.16 0.71 -0.50 1.53 0.00 -0.94 0.85 119.26 121.07 1kfy h ALA 335 Ca -0.02 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1kfy h ALA 335 Cb 0.44 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1kfy h ALA 335 CO -0.01 -0.25 0.21 0.87 0.00 0.00 0.00 179.25 180.07 1kfy h LYS 336 N 0.33 0.74 -0.04 0.00 1.57 -0.62 -1.38 116.57 117.17 1kfy h LYS 336 Ca 0.29 -0.13 -0.22 0.00 -1.87 0.00 0.00 60.65 58.72 1kfy h LYS 336 Cb 0.39 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1kfy h LYS 336 CO -0.33 0.65 -0.88 0.00 -0.57 0.00 0.00 179.45 178.32 1kfy h ALA 337 N 1.05 0.38 0.00 3.86 0.00 -0.17 -1.86 119.26 122.52 1kfy h ALA 337 Ca 0.17 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1kfy h ALA 337 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1kfy h ALA 337 CO -0.01 0.77 -1.44 0.66 0.00 0.00 0.00 179.25 179.22 1kfy n TYR 338 N -3.81 0.00 -0.55 0.00 4.02 0.21 -4.46 117.16 112.57 1kfy n TYR 338 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1kfy n TYR 338 Cb 0.80 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 1kfy n TYR 338 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1kfy n VAL 339 N -1.85 0.17 -3.59 -0.72 0.24 -1.03 -5.03 118.33 106.53 1kfy n VAL 339 Ca -0.00 -0.31 -0.27 0.00 -2.04 0.00 0.00 64.34 61.71 1kfy n VAL 339 Cb 0.41 1.25 0.05 0.00 -1.47 0.00 0.00 33.84 34.08 1kfy n VAL 339 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kfy n GLY 340 N -0.09 -0.96 2.86 7.63 0.00 -0.70 -4.97 105.19 108.96 1kfy n GLY 340 Ca 0.00 0.45 -0.15 0.00 0.00 0.00 0.00 46.02 46.32 1kfy n GLY 340 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfy s VAL 341 N -3.47 -0.13 -0.42 1.61 1.01 -0.59 -4.94 120.40 113.47 1kfy s VAL 341 Ca 0.43 0.27 -0.24 0.00 0.00 0.00 0.00 61.98 62.43 1kfy s VAL 341 Cb -0.13 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.04 1kfy s VAL 341 CO 0.83 0.11 0.85 -0.62 0.00 0.00 0.00 175.10 176.27 1kfy s ASP 342 N 1.64 6.51 0.00 3.32 -1.08 -1.26 -2.38 116.67 123.42 1kfy s ASP 342 Ca -0.04 0.17 0.00 0.00 -0.52 0.00 0.00 52.55 52.16 1kfy s ASP 342 Cb -0.12 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1kfy s ASP 342 CO -0.05 -0.90 0.08 -2.65 0.52 0.00 0.00 175.17 172.16 1kfy n PRO 343 N 6.79 0.11 -0.01 4.34 -0.02 -1.26 -0.27 135.00 144.68 1kfy n PRO 343 Ca 0.04 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1kfy n PRO 343 Cb 0.48 -1.03 -0.02 0.00 -0.02 0.00 0.00 33.50 32.92 1kfy n PRO 343 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1kfy n VAL 344 N -0.02 0.11 -0.11 -1.45 0.31 -1.26 -3.32 118.33 112.58 1kfy n VAL 344 Ca 0.00 -0.09 -0.24 0.00 -0.01 0.00 0.00 64.34 64.01 1kfy n VAL 344 Cb 0.01 -0.47 -0.08 0.00 -0.91 0.00 0.00 33.84 32.39 1kfy n VAL 344 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1kfy n LYS 345 N -1.92 0.49 -4.61 5.55 4.81 0.33 -4.71 118.16 118.09 1kfy n LYS 345 Ca -0.03 0.20 -0.28 0.00 -0.87 0.00 0.00 58.31 57.34 1kfy n LYS 345 Cb 0.41 -1.32 -0.11 0.00 0.02 0.00 0.00 35.03 34.03 1kfy n LYS 345 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1kfy s GLU 346 N -2.42 1.94 0.32 1.64 0.41 0.63 -4.98 118.70 116.24 1kfy s GLU 346 Ca -0.32 -2.11 -0.11 0.00 -0.41 0.00 0.00 54.97 52.03 1kfy s GLU 346 Cb 0.12 -1.54 -0.07 0.00 -1.78 0.00 0.00 34.13 30.85 1kfy s GLU 346 CO 0.41 -0.09 0.68 -2.14 -0.49 0.00 0.00 175.26 173.63 1kfy s PRO 347 N -3.74 3.84 -0.20 0.39 0.02 -1.26 -4.17 135.00 129.87 1kfy s PRO 347 Ca 0.33 0.43 -0.13 0.00 0.02 0.00 0.00 61.00 61.65 1kfy s PRO 347 Cb 0.09 -2.50 -0.05 0.00 0.02 0.00 0.00 34.50 32.07 1kfy s PRO 347 CO 0.17 0.14 0.25 0.42 -0.33 0.00 0.00 177.00 177.65 1kfy s ILE 348 N -2.07 5.32 -0.06 2.83 1.01 -0.81 -4.91 121.20 122.51 1kfy s ILE 348 Ca 0.50 0.42 -0.30 0.00 0.00 0.00 0.00 60.65 61.27 1kfy s ILE 348 Cb -0.11 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1kfy s ILE 348 CO 0.24 0.36 1.19 -2.16 0.00 0.00 0.00 174.94 174.56 1kfy s PRO 349 N 0.79 4.36 0.21 2.79 0.04 -1.26 -0.11 135.00 141.82 1kfy s PRO 349 Ca 0.13 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 62.81 1kfy s PRO 349 Cb -0.13 -3.55 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 1kfy s PRO 349 CO 0.04 -0.44 0.16 0.14 0.04 0.00 0.00 177.00 176.94 1kfy s VAL 350 N 2.19 0.00 -0.13 -0.36 -7.23 0.50 -4.21 120.40 111.17 1kfy s VAL 350 Ca 0.55 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.45 1kfy s VAL 350 Cb -0.24 -2.49 0.12 0.00 0.56 0.00 0.00 36.38 34.34 1kfy s VAL 350 CO 0.22 0.00 0.99 0.00 -0.31 0.00 0.00 175.10 176.00 1kfy s ARG 351 N -4.11 0.62 0.37 4.82 1.70 0.27 -0.40 118.95 122.23 1kfy s ARG 351 Ca 0.38 0.02 -0.25 0.00 -0.47 0.00 0.00 55.73 55.42 1kfy s ARG 351 Cb 0.06 0.29 -0.13 0.00 -0.57 0.00 0.00 34.95 34.60 1kfy s ARG 351 CO 0.13 -0.22 0.75 -2.30 -1.08 0.00 0.00 175.30 172.58 1kfy n PRO 352 N 0.45 0.85 -3.90 3.89 -0.02 -0.82 -1.70 135.00 133.75 1kfy n PRO 352 Ca -0.09 0.31 -0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1kfy n PRO 352 Cb 0.59 -1.64 -0.11 0.00 -0.02 0.00 0.00 33.50 32.31 1kfy n PRO 352 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1kfy s THR 353 N -1.29 0.07 0.03 3.45 2.01 0.74 -4.83 115.64 115.81 1kfy s THR 353 Ca 0.62 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 1kfy s THR 353 Cb -0.65 -0.27 -0.08 0.00 0.01 0.00 0.00 72.50 71.52 1kfy s THR 353 CO 0.58 -0.30 1.75 0.00 -0.69 0.00 0.00 174.62 175.96 1kfy s ALA 354 N -0.95 3.64 0.13 7.40 0.00 -1.06 0.36 121.76 131.29 1kfy s ALA 354 Ca -0.10 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1kfy s ALA 354 Cb -0.06 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1kfy s ALA 354 CO 0.00 -1.33 0.00 1.58 0.00 0.00 0.00 175.76 176.01 1kfy n HIS 355 N 6.61 -0.72 -4.76 0.00 -0.00 -0.41 -1.45 115.22 114.49 1kfy n HIS 355 Ca 0.17 0.13 -0.24 0.00 -0.00 0.00 0.00 57.72 57.78 1kfy n HIS 355 Cb 0.41 0.20 -0.15 0.00 -0.00 0.00 0.00 29.99 30.45 1kfy n HIS 355 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 1kfy s TYR 356 N -2.00 1.47 -0.57 1.57 5.04 -0.37 -4.79 117.35 117.70 1kfy s TYR 356 Ca 0.00 -0.30 -0.19 0.00 -2.44 0.00 0.00 57.07 54.13 1kfy s TYR 356 Cb 0.00 -0.95 0.08 0.00 0.35 0.00 0.00 41.96 41.44 1kfy s TYR 356 CO 0.00 -0.05 0.71 0.99 -1.34 0.00 0.00 175.55 175.87 1kfy s THR 357 N -0.30 4.77 0.06 4.34 2.01 -1.26 -1.30 115.64 123.96 1kfy s THR 357 Ca 0.04 -0.74 -0.20 0.00 0.31 0.00 0.00 61.69 61.10 1kfy s THR 357 Cb -0.07 -4.46 -0.12 0.00 0.01 0.00 0.00 72.50 67.87 1kfy s THR 357 CO -0.00 -1.07 1.46 0.24 -0.69 0.00 0.00 174.62 174.56 1kfy h MET 358 N 9.17 0.32 -7.31 4.92 2.86 -1.84 -3.45 114.93 119.61 1kfy h MET 358 Ca -0.29 -0.12 -0.47 0.00 -2.06 0.00 0.00 59.70 56.77 1kfy h MET 358 Cb 1.09 -0.02 0.16 0.00 0.06 0.00 0.00 31.60 32.89 1kfy h MET 358 CO 1.07 0.57 0.19 0.20 1.06 0.00 0.00 176.91 180.00 1kfy s GLY 359 N -3.13 1.59 0.00 8.32 0.00 -1.21 -4.80 107.32 108.09 1kfy s GLY 359 Ca -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1kfy s GLY 359 CO 0.73 0.43 0.00 0.61 0.00 0.00 0.00 173.10 174.87 1kfy n GLY 360 N -0.72 0.02 3.60 0.20 0.00 -0.66 -4.73 105.19 102.89 1kfy n GLY 360 Ca 0.06 -1.06 -0.57 0.00 0.00 0.00 0.00 46.02 44.45 1kfy n GLY 360 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kfy n ILE 361 N -0.47 0.05 -2.15 -0.61 5.41 0.48 -0.91 119.36 121.15 1kfy n ILE 361 Ca 0.00 -0.01 -0.42 0.00 1.00 0.00 0.00 62.75 63.32 1kfy n ILE 361 Cb 0.00 -0.58 -0.03 0.00 -0.71 0.00 0.00 39.64 38.32 1kfy n ILE 361 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1kfy s GLU 362 N 1.04 4.27 0.06 0.38 2.12 -0.49 -1.53 118.70 124.55 1kfy s GLU 362 Ca 0.91 2.06 0.02 0.00 0.36 0.00 0.00 54.97 58.32 1kfy s GLU 362 Cb -1.13 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 29.72 1kfy s GLU 362 CO 0.57 -0.58 -0.06 0.95 -0.54 0.00 0.00 175.26 175.59 1kfy s THR 363 N 2.19 0.51 0.00 -1.70 -4.23 -1.24 -4.38 115.64 106.79 1kfy s THR 363 Ca 0.66 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1kfy s THR 363 Cb -0.34 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.50 1kfy s THR 363 CO 0.28 -0.61 0.00 -0.90 -0.54 0.00 0.00 174.62 172.85 1kfy n ASP 364 N 0.87 0.00 0.00 3.99 5.68 -0.26 -4.65 116.55 122.19 1kfy n ASP 364 Ca -0.19 -0.78 0.07 0.00 -0.50 0.00 0.00 54.79 53.38 1kfy n ASP 364 Cb 0.57 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.90 1kfy n ASP 364 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kfy n GLN 365 N -0.78 0.24 -0.13 0.11 3.00 -1.26 -2.09 117.38 116.46 1kfy n GLN 365 Ca 0.00 0.13 0.06 0.00 -0.01 0.00 0.00 57.00 57.18 1kfy n GLN 365 Cb 0.00 -1.50 0.12 0.00 0.00 0.00 0.00 30.24 28.86 1kfy n GLN 365 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1kfy n ASN 366 N -1.23 2.61 0.00 1.08 5.03 -1.26 -4.96 115.26 116.53 1kfy n ASN 366 Ca 0.07 -2.55 0.00 0.00 0.87 0.00 0.00 54.58 52.98 1kfy n ASN 366 Cb 0.09 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 1kfy n ASN 366 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kfy s GLU 368 N -0.76 4.33 0.13 0.00 2.12 -1.26 -0.56 118.70 122.70 1kfy s GLU 368 Ca 0.00 0.89 -0.00 0.00 0.36 0.00 0.00 54.97 56.22 1kfy s GLU 368 Cb 0.00 -3.18 0.03 0.00 0.26 0.00 0.00 34.13 31.24 1kfy s GLU 368 CO 0.00 0.57 0.18 0.25 -0.54 0.00 0.00 175.26 175.73 1kfy n THR 369 N 1.49 0.00 0.24 -1.70 -2.24 0.60 -1.10 114.28 111.56 1kfy n THR 369 Ca -0.07 -0.28 0.12 0.00 -2.27 0.00 0.00 64.05 61.55 1kfy n THR 369 Cb 0.50 -1.33 0.57 0.00 -2.10 0.00 0.00 70.33 67.96 1kfy n THR 369 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1kfy h ARG 370 N 0.00 0.00 -5.71 -0.78 3.08 -1.85 -3.40 114.38 105.71 1kfy h ARG 370 Ca -0.06 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.40 1kfy h ARG 370 Cb 0.22 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.18 1kfy h ARG 370 CO 0.06 0.15 0.18 0.42 -1.07 0.00 0.00 179.97 179.72 1kfy s ILE 371 N -3.75 4.99 0.20 2.04 1.01 -1.26 -5.00 121.20 119.43 1kfy s ILE 371 Ca 0.00 1.28 -0.32 0.00 0.00 0.00 0.00 60.65 61.61 1kfy s ILE 371 Cb 0.10 -3.99 -0.12 0.00 0.01 0.00 0.00 42.46 38.47 1kfy s ILE 371 CO 0.60 0.09 1.73 1.17 0.00 0.00 0.00 174.94 178.53 1kfy n LYS 372 N 5.13 2.74 0.00 2.79 3.00 0.16 -1.90 118.16 130.09 1kfy n LYS 372 Ca -0.00 0.99 0.00 0.00 -0.00 0.00 0.00 58.31 59.30 1kfy n LYS 372 Cb 0.49 -2.84 0.00 0.00 0.00 0.00 0.00 35.03 32.69 1kfy n LYS 372 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1kfy n GLY 373 N 3.96 3.31 3.63 3.14 0.00 -1.26 -1.62 105.19 116.35 1kfy n GLY 373 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1kfy n GLY 373 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kfy s LEU 374 N 0.00 4.08 0.33 0.99 2.96 -0.80 -1.88 118.68 124.36 1kfy s LEU 374 Ca 0.00 0.69 0.10 0.00 -0.22 0.00 0.00 54.13 54.70 1kfy s LEU 374 Cb 0.00 -2.81 -0.06 0.00 0.50 0.00 0.00 46.19 43.82 1kfy s LEU 374 CO 0.00 -0.33 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.27 1kfy s PHE 375 N 2.32 2.45 -0.11 5.38 0.40 0.59 -0.30 117.98 128.71 1kfy s PHE 375 Ca 0.25 -0.43 -0.07 0.00 -0.60 0.00 0.00 56.93 56.09 1kfy s PHE 375 Cb -0.16 -1.34 0.04 0.00 0.51 0.00 0.00 43.02 42.08 1kfy s PHE 375 CO 0.09 0.58 0.26 0.00 0.70 0.00 0.00 175.22 176.84 1kfy s ALA 376 N -2.55 -0.61 0.05 5.36 0.00 0.28 0.36 121.76 124.65 1kfy s ALA 376 Ca 0.33 0.96 -0.04 0.00 0.00 0.00 0.00 51.96 53.21 1kfy s ALA 376 Cb -0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1kfy s ALA 376 CO 0.17 -0.18 0.05 0.54 0.00 0.00 0.00 175.76 176.34 1kfy s VAL 377 N 0.95 0.16 0.00 0.00 0.11 0.39 -4.71 120.40 117.31 1kfy s VAL 377 Ca -0.07 -1.35 0.00 0.00 -2.93 0.00 0.00 61.98 57.64 1kfy s VAL 377 Cb -0.08 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.65 1kfy s VAL 377 CO -0.06 -0.74 0.00 0.61 -3.33 0.00 0.00 175.10 171.57 1kfy n GLY 378 N 0.49 -1.82 0.05 6.54 0.00 -1.26 -4.21 105.19 104.99 1kfy n GLY 378 Ca -0.17 -1.93 0.10 0.00 0.00 0.00 0.00 46.02 44.02 1kfy n GLY 378 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1kfy n GLU 379 N 0.00 0.09 0.09 1.61 2.13 -1.26 -2.34 120.64 120.97 1kfy n GLU 379 Ca 0.00 0.27 0.13 0.00 0.66 0.00 0.00 57.16 58.21 1kfy n GLU 379 Cb 0.00 -1.66 0.32 0.00 0.27 0.00 0.00 31.44 30.37 1kfy n GLU 379 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1kfy n SER 381 N -2.21 0.00 -2.76 0.00 3.41 -0.99 -0.39 113.62 110.68 1kfy n SER 381 Ca 0.05 -0.68 -0.09 0.00 -0.26 0.00 0.00 58.87 57.89 1kfy n SER 381 Cb 0.43 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.44 1kfy n SER 381 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1kfy n SER 382 N -2.04 -2.69 0.22 4.04 2.88 -0.58 -3.39 113.62 112.06 1kfy n SER 382 Ca 0.00 -3.37 0.15 0.00 -1.33 0.00 0.00 58.87 54.32 1kfy n SER 382 Cb 0.00 1.77 0.77 0.00 -0.75 0.00 0.00 64.21 66.00 1kfy n SER 382 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1kfy h VAL 383 N 2.96 0.00 -0.43 2.46 -1.51 -1.83 -3.29 116.25 114.61 1kfy h VAL 383 Ca -0.13 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1kfy h VAL 383 Cb 1.04 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1kfy h VAL 383 CO 0.30 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.25 1kfy n GLY 384 N -1.07 0.98 0.11 5.19 0.00 -1.26 -4.82 105.19 104.32 1kfy n GLY 384 Ca -0.02 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 1kfy n GLY 384 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1kfy n LEU 385 N -0.21 1.18 0.03 0.99 7.94 -1.26 -0.71 117.00 124.96 1kfy n LEU 385 Ca 0.00 -0.01 0.11 0.00 -1.11 0.00 0.00 56.01 55.00 1kfy n LEU 385 Cb 0.22 -0.07 -0.02 0.00 0.53 0.00 0.00 43.42 44.08 1kfy n LEU 385 CO 0.00 0.66 -0.12 1.41 -1.11 0.00 0.00 177.39 178.22 1kfy n HIS 386 N -2.98 0.30 -3.84 1.96 8.25 -1.26 -4.86 115.22 112.79 1kfy n HIS 386 Ca -0.36 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 1kfy n HIS 386 Cb 1.09 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.71 1kfy n HIS 386 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kfy n GLY 387 N 1.33 2.87 0.52 -1.41 0.00 -1.26 -2.12 105.19 105.13 1kfy n GLY 387 Ca 0.01 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.77 1kfy n GLY 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfy n ALA 388 N 9.53 2.53 -3.30 4.61 0.00 -0.44 -4.79 120.51 128.66 1kfy n ALA 388 Ca 0.00 -0.50 0.03 0.00 0.00 0.00 0.00 53.44 52.97 1kfy n ALA 388 Cb 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 1kfy n ALA 388 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1kfy s ASN 389 N -1.61 -0.71 0.46 0.00 0.01 -0.90 -0.29 114.94 111.91 1kfy s ASN 389 Ca 0.33 0.70 -0.23 0.00 -0.71 0.00 0.00 52.86 52.95 1kfy s ASN 389 Cb 0.18 1.70 -0.07 0.00 0.41 0.00 0.00 41.25 43.46 1kfy s ASN 389 CO 0.27 -0.13 1.16 -0.60 -1.51 0.00 0.00 177.10 176.29 1kfy s ARG 390 N 2.70 3.73 0.03 -0.60 3.52 -1.24 -3.66 118.95 123.44 1kfy s ARG 390 Ca 0.02 1.76 -0.20 0.00 -0.13 0.00 0.00 55.73 57.18 1kfy s ARG 390 Cb -0.09 -2.38 -0.06 0.00 -1.56 0.00 0.00 34.95 30.86 1kfy s ARG 390 CO -0.16 -0.57 0.58 -1.17 -0.81 0.00 0.00 175.30 173.17 1kfy s LEU 391 N -3.07 4.47 0.20 -0.88 2.96 -1.26 -4.99 118.68 116.10 1kfy s LEU 391 Ca 0.64 1.20 -0.32 0.00 -0.22 0.00 0.00 54.13 55.43 1kfy s LEU 391 Cb -0.28 -2.91 -0.14 0.00 0.50 0.00 0.00 46.19 43.36 1kfy s LEU 391 CO 0.34 0.18 1.34 0.61 -1.32 0.00 0.00 176.35 177.51 1kfy n GLY 392 N 2.11 0.56 2.34 7.98 0.00 -1.26 -1.76 105.19 115.15 1kfy n GLY 392 Ca -0.09 0.54 -0.02 0.00 0.00 0.00 0.00 46.02 46.45 1kfy n GLY 392 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kfy n SER 393 N 2.28 -4.08 0.04 1.61 3.41 -1.26 -4.22 113.62 111.40 1kfy n SER 393 Ca 0.14 0.05 0.10 0.00 -0.26 0.00 0.00 58.87 58.90 1kfy n SER 393 Cb 0.28 -1.78 -0.09 0.00 -0.26 0.00 0.00 64.21 62.36 1kfy n SER 393 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1kfy n ASN 394 N -0.07 0.42 0.02 4.04 4.13 -0.72 -0.17 115.26 122.91 1kfy n ASN 394 Ca -0.02 0.17 -0.13 0.00 1.68 0.00 0.00 54.58 56.28 1kfy n ASN 394 Cb 0.21 1.18 -0.09 0.00 -1.54 0.00 0.00 39.78 39.53 1kfy n ASN 394 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1kfy h SER 395 N 0.00 -0.05 -0.57 6.41 0.87 -1.90 -1.34 113.55 116.98 1kfy h SER 395 Ca -0.03 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1kfy h SER 395 Cb 1.09 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.03 1kfy h SER 395 CO 0.00 0.37 0.36 -0.07 -0.53 0.00 0.00 176.83 176.97 1kfy h LEU 396 N -0.48 0.67 -0.73 2.23 3.38 -1.84 -1.54 115.31 117.00 1kfy h LEU 396 Ca -0.01 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.01 1kfy h LEU 396 Cb 0.44 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1kfy h LEU 396 CO 0.01 0.50 0.39 0.00 0.09 0.00 0.00 178.44 179.43 1kfy h ALA 397 N 1.19 1.00 -0.59 1.53 0.00 -1.69 -1.22 119.26 119.49 1kfy h ALA 397 Ca 0.21 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1kfy h ALA 397 Cb -0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1kfy h ALA 397 CO -0.04 0.01 0.29 1.49 0.00 0.00 0.00 179.25 181.00 1kfy h GLU 398 N 0.67 0.53 -0.24 0.00 4.81 -0.35 -1.41 114.58 118.59 1kfy h GLU 398 Ca 0.35 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.60 1kfy h GLU 398 Cb 0.32 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.50 1kfy h GLU 398 CO -0.24 0.35 -0.34 -0.07 -0.73 0.00 0.00 179.01 177.98 1kfy h LEU 399 N 0.54 -1.09 -0.25 1.64 3.38 -0.28 0.00 115.31 119.26 1kfy h LEU 399 Ca 0.27 0.17 -0.12 0.00 0.09 0.00 0.00 57.88 58.29 1kfy h LEU 399 Cb 0.21 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1kfy h LEU 399 CO -0.20 -0.35 -0.55 -0.37 0.09 0.00 0.00 178.44 177.06 1kfy h VAL 400 N -0.35 1.01 0.08 1.22 -1.51 -1.40 0.29 116.25 115.59 1kfy h VAL 400 Ca 0.12 -2.23 -0.00 0.00 -1.23 0.00 0.00 66.70 63.36 1kfy h VAL 400 Cb 0.55 2.36 0.00 0.00 -2.13 0.00 0.00 31.29 32.08 1kfy h VAL 400 CO -0.43 0.54 -0.04 0.58 -1.23 0.00 0.00 177.57 176.98 1kfy h VAL 401 N 0.00 1.18 0.00 7.19 2.07 -0.98 -3.06 116.25 122.65 1kfy h VAL 401 Ca -0.01 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1kfy h VAL 401 Cb 1.32 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1kfy h VAL 401 CO 0.07 0.30 -0.41 0.49 0.02 0.00 0.00 177.57 178.03 1kfy n PHE 402 N -4.87 0.22 -0.06 1.57 3.01 -0.04 -3.09 117.46 114.21 1kfy n PHE 402 Ca -0.08 0.06 -0.15 0.00 1.01 0.00 0.00 57.45 58.29 1kfy n PHE 402 Cb 0.29 -0.46 -0.06 0.00 -0.01 0.00 0.00 39.48 39.24 1kfy n PHE 402 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1kfy h GLY 403 N 4.83 0.70 0.92 1.37 0.00 -0.48 -1.53 103.07 108.87 1kfy h GLY 403 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 1kfy h GLY 403 CO 0.00 0.75 -0.16 -0.09 0.00 0.00 0.00 176.54 177.04 1kfy h ARG 404 N 0.32 -0.39 0.05 4.80 2.43 -1.60 -0.80 114.38 119.18 1kfy h ARG 404 Ca 0.00 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1kfy h ARG 404 Cb 1.03 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.61 1kfy h ARG 404 CO 0.09 -0.26 -0.46 1.25 -1.51 0.00 0.00 179.97 179.08 1kfy h LEU 405 N -0.41 -1.41 -0.86 3.80 5.85 -1.55 0.21 115.31 120.95 1kfy h LEU 405 Ca -0.02 0.16 0.20 0.00 0.84 0.00 0.00 57.88 59.05 1kfy h LEU 405 Cb 0.34 0.54 -0.12 0.00 0.37 0.00 0.00 40.66 41.79 1kfy h LEU 405 CO 0.02 -0.50 0.35 0.00 -0.34 0.00 0.00 178.44 177.97 1kfy h ALA 406 N -0.23 1.31 -0.19 1.25 0.00 -1.15 -0.51 119.26 119.74 1kfy h ALA 406 Ca 0.03 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1kfy h ALA 406 Cb 0.70 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1kfy h ALA 406 CO -0.31 -0.31 0.10 0.78 0.00 0.00 0.00 179.25 179.51 1kfy h GLY 407 N 0.39 0.29 0.80 0.00 0.00 0.51 -1.25 103.07 103.82 1kfy h GLY 407 Ca 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 1kfy h GLY 407 CO -0.51 0.13 -0.13 0.83 0.00 0.00 0.00 176.54 176.86 1kfy h GLU 408 N 0.20 -0.34 -0.98 4.80 5.08 -0.04 -2.49 114.58 120.82 1kfy h GLU 408 Ca 0.07 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.56 1kfy h GLU 408 Cb 0.08 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.32 1kfy h GLU 408 CO -0.01 -0.09 0.61 1.96 -1.00 0.00 0.00 179.01 180.48 1kfy h GLN 409 N -0.56 0.94 -0.37 2.33 1.08 -1.12 -0.90 115.11 116.52 1kfy h GLN 409 Ca -0.04 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.03 1kfy h GLN 409 Cb 0.41 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1kfy h GLN 409 CO 0.06 0.63 -0.10 0.00 -0.95 0.00 0.00 178.83 178.46 1kfy h ALA 410 N 1.52 1.14 0.21 3.87 0.00 -1.17 -0.83 119.26 124.00 1kfy h ALA 410 Ca 0.48 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1kfy h ALA 410 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1kfy h ALA 410 CO -0.26 0.54 -0.10 1.15 0.00 0.00 0.00 179.25 180.58 1kfy h THR 411 N 0.58 0.79 -0.07 0.00 2.02 -0.70 -1.85 112.91 113.69 1kfy h THR 411 Ca 0.11 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1kfy h THR 411 Cb 0.52 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1kfy h THR 411 CO 0.03 0.00 0.04 -0.33 0.37 0.00 0.00 175.52 175.63 1kfy h GLU 412 N -0.29 0.08 -0.12 6.66 5.08 -1.22 -2.52 114.58 122.26 1kfy h GLU 412 Ca -0.03 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1kfy h GLU 412 Cb 0.22 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1kfy h GLU 412 CO 0.05 0.05 0.20 -0.09 -1.00 0.00 0.00 179.01 178.23 1kfy h ARG 413 N 0.08 0.00 0.00 2.33 9.65 -1.02 -1.12 114.38 124.30 1kfy h ARG 413 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1kfy h ARG 413 Cb -0.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 1kfy h ARG 413 CO -0.01 0.00 -1.41 0.00 2.80 0.00 0.00 179.97 181.35 1kfy n ALA 414 N -2.18 2.75 0.09 2.80 0.00 -0.71 -3.58 120.51 119.68 1kfy n ALA 414 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.05 1kfy n ALA 414 Cb 0.30 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 1kfy n ALA 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kfy h ALA 415 N 2.06 0.54 -0.33 0.00 0.00 -0.90 -3.24 119.26 117.40 1kfy h ALA 415 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 54.91 54.11 1kfy h ALA 415 Cb 0.97 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1kfy h ALA 415 CO 0.00 0.96 0.01 0.25 0.00 0.00 0.00 179.25 180.47 1kfy n THR 416 N -3.24 2.42 0.13 0.00 -2.24 -0.98 -4.71 114.28 105.66 1kfy n THR 416 Ca -0.01 -2.11 0.01 0.00 -2.27 0.00 0.00 64.05 59.68 1kfy n THR 416 Cb 0.84 -0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.81 1kfy n THR 416 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfy h ALA 417 N 1.60 0.64 -2.30 6.98 0.00 -1.61 -3.50 119.26 121.07 1kfy h ALA 417 Ca 0.09 -0.53 0.28 0.00 0.00 0.00 0.00 54.91 54.75 1kfy h ALA 417 Cb 1.59 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 1kfy h ALA 417 CO 0.32 0.73 -0.37 0.41 0.00 0.00 0.00 179.25 180.34 1kfy n GLY 418 N 1.17 -1.99 3.97 0.00 0.00 -1.26 -4.93 105.19 102.16 1kfy n GLY 418 Ca 0.01 -1.26 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 1kfy n GLY 418 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kfy s ASN 419 N -5.67 5.56 0.36 1.61 0.01 -1.26 -5.05 114.94 110.50 1kfy s ASN 419 Ca 0.00 -0.46 0.03 0.00 -0.71 0.00 0.00 52.86 51.73 1kfy s ASN 419 Cb 0.00 -0.74 -0.04 0.00 0.41 0.00 0.00 41.25 40.89 1kfy s ASN 419 CO 0.00 -0.67 0.11 -0.83 -1.51 0.00 0.00 177.10 174.20 1kfy s GLY 420 N -4.26 2.34 -0.66 0.66 0.00 -1.26 -5.08 107.32 99.06 1kfy s GLY 420 Ca 0.52 -1.56 -0.26 0.00 0.00 0.00 0.00 44.72 43.42 1kfy s GLY 420 CO 0.31 -1.78 1.90 0.21 0.00 0.00 0.00 173.10 173.74 1kfy s ASN 421 N -3.53 5.20 0.23 1.64 3.84 -1.26 -4.88 114.94 116.18 1kfy s ASN 421 Ca 0.29 0.18 -0.10 0.00 0.21 0.00 0.00 52.86 53.44 1kfy s ASN 421 Cb 0.05 -2.53 0.34 0.00 -0.55 0.00 0.00 41.25 38.56 1kfy s ASN 421 CO 0.15 -2.48 1.63 -0.08 -2.79 0.00 0.00 177.10 173.54 1kfy h GLU 422 N 14.46 0.06 -0.41 0.43 4.57 -1.98 -0.44 114.58 131.27 1kfy h GLU 422 Ca -0.19 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.00 1kfy h GLU 422 Cb 1.14 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 1kfy h GLU 422 CO 1.21 0.04 0.27 0.00 -1.18 0.00 0.00 179.01 179.36 1kfy h ALA 423 N 1.66 1.77 0.22 2.92 0.00 -1.98 0.24 119.26 124.09 1kfy h ALA 423 Ca 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1kfy h ALA 423 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1kfy h ALA 423 CO -0.65 0.20 -0.11 0.00 0.00 0.00 0.00 179.25 178.69 1kfy h ALA 424 N 1.75 -0.30 -0.63 0.00 0.00 -1.55 0.04 119.26 118.57 1kfy h ALA 424 Ca 0.16 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1kfy h ALA 424 Cb 0.02 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 1kfy h ALA 424 CO -0.04 -0.35 0.14 0.82 0.00 0.00 0.00 179.25 179.83 1kfy h ILE 425 N -0.95 0.62 -0.36 0.00 2.04 -0.86 0.31 117.51 118.31 1kfy h ILE 425 Ca -0.03 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 1kfy h ILE 425 Cb 0.48 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1kfy h ILE 425 CO 0.05 0.05 -0.00 -0.08 0.00 0.00 0.00 178.15 178.17 1kfy h GLU 426 N 0.27 0.57 -0.09 2.37 4.57 -0.56 -1.48 114.58 120.22 1kfy h GLU 426 Ca 0.33 -0.13 -0.07 0.00 -1.18 0.00 0.00 59.36 58.31 1kfy h GLU 426 Cb 0.51 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1kfy h GLU 426 CO -0.42 0.60 -0.27 0.00 -1.18 0.00 0.00 179.01 177.74 1kfy h ALA 427 N 1.46 1.37 -0.16 2.92 0.00 0.15 -2.18 119.26 122.82 1kfy h ALA 427 Ca 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1kfy h ALA 427 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1kfy h ALA 427 CO 0.01 0.44 0.06 1.96 0.00 0.00 0.00 179.25 181.72 1kfy h GLN 428 N 0.15 0.23 -0.89 0.00 1.08 0.34 -1.81 115.11 114.21 1kfy h GLN 428 Ca 0.02 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.23 1kfy h GLN 428 Cb 0.57 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 1kfy h GLN 428 CO 0.04 0.33 0.58 0.00 -0.95 0.00 0.00 178.83 178.83 1kfy h ALA 429 N 0.89 1.47 -0.61 3.87 0.00 -1.10 0.30 119.26 124.09 1kfy h ALA 429 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1kfy h ALA 429 Cb 0.18 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1kfy h ALA 429 CO -0.00 0.43 0.20 0.00 0.00 0.00 0.00 179.25 179.87 1kfy h ALA 430 N 1.49 1.21 -0.18 0.00 0.00 -1.13 -1.83 119.26 118.83 1kfy h ALA 430 Ca 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1kfy h ALA 430 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1kfy h ALA 430 CO -0.12 0.56 0.07 0.78 0.00 0.00 0.00 179.25 180.54 1kfy h GLY 431 N 1.00 0.28 0.58 0.00 0.00 -0.13 0.12 103.07 104.93 1kfy h GLY 431 Ca 0.20 -0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.44 1kfy h GLY 431 CO -0.01 0.14 0.20 -2.08 0.00 0.00 0.00 176.54 174.79 1kfy h VAL 432 N 0.13 0.86 -0.07 4.60 2.07 -0.83 0.14 116.25 123.14 1kfy h VAL 432 Ca 0.06 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1kfy h VAL 432 Cb 0.17 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1kfy h VAL 432 CO -0.00 0.07 0.03 -0.08 0.02 0.00 0.00 177.57 177.61 1kfy h GLU 433 N 0.39 0.10 -0.71 1.57 4.81 -1.13 -1.02 114.58 118.59 1kfy h GLU 433 Ca 0.24 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1kfy h GLU 433 Cb 0.23 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1kfy h GLU 433 CO -0.22 0.19 0.45 0.37 -0.73 0.00 0.00 179.01 179.08 1kfy h GLN 434 N -0.02 0.87 -0.54 1.92 5.75 -0.14 -1.31 115.11 121.65 1kfy h GLN 434 Ca 0.02 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1kfy h GLN 434 Cb 0.13 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1kfy h GLN 434 CO -0.00 0.58 0.35 0.00 -2.65 0.00 0.00 178.83 177.11 1kfy h ARG 435 N 0.90 0.71 -0.77 1.69 3.08 -0.51 -0.34 114.38 119.14 1kfy h ARG 435 Ca 0.28 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.34 1kfy h ARG 435 Cb -0.02 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 29.82 1kfy h ARG 435 CO -0.10 0.47 0.46 1.25 -1.07 0.00 0.00 179.97 180.99 1kfy h LEU 436 N 0.73 0.72 -0.65 3.04 5.85 -0.39 -0.78 115.31 123.83 1kfy h LEU 436 Ca 0.20 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1kfy h LEU 436 Cb -0.08 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1kfy h LEU 436 CO -0.04 0.47 0.28 0.11 -0.34 0.00 0.00 178.44 178.91 1kfy h LYS 437 N 0.86 0.95 -0.51 1.25 1.57 -0.55 0.11 116.57 120.25 1kfy h LYS 437 Ca 0.33 -0.16 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1kfy h LYS 437 Cb 0.15 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 1kfy h LYS 437 CO -0.17 0.79 0.23 -0.44 -0.57 0.00 0.00 179.45 179.29 1kfy h ASP 438 N 0.90 0.30 -0.66 0.86 3.32 0.15 0.14 116.42 121.45 1kfy h ASP 438 Ca 0.22 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 1kfy h ASP 438 Cb 0.18 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1kfy h ASP 438 CO -0.02 0.21 0.18 0.25 -1.72 0.00 0.00 179.24 178.14 1kfy h LEU 439 N 0.45 0.98 -0.28 1.55 5.85 -0.70 -1.73 115.31 121.42 1kfy h LEU 439 Ca 0.23 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1kfy h LEU 439 Cb 0.19 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1kfy h LEU 439 CO -0.19 0.94 0.16 0.58 -0.34 0.00 0.00 178.44 179.59 1kfy h VAL 440 N 0.96 1.11 0.00 1.05 2.07 0.26 -2.55 116.25 119.16 1kfy h VAL 440 Ca 0.21 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1kfy h VAL 440 Cb 0.33 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1kfy h VAL 440 CO -0.00 0.11 0.00 0.59 0.02 0.00 0.00 177.57 178.29 1kfy n ASN 441 N -4.84 0.00 -4.75 0.57 3.02 0.38 -4.68 115.26 104.95 1kfy n ASN 441 Ca -0.02 -0.37 -0.41 0.00 -0.03 0.00 0.00 54.58 53.75 1kfy n ASN 441 Cb 0.06 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.03 1kfy n ASN 441 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1kfy s GLN 442 N -2.37 4.24 0.18 3.52 0.74 -0.66 -5.02 119.66 120.28 1kfy s GLN 442 Ca 0.31 2.36 0.04 0.00 0.05 0.00 0.00 55.36 58.12 1kfy s GLN 442 Cb 0.19 -3.08 -0.05 0.00 1.10 0.00 0.00 33.01 31.17 1kfy s GLN 442 CO 0.38 -0.44 -0.05 0.16 -0.55 0.00 0.00 175.29 174.80 1kfy s ASP 443 N 0.23 1.73 0.00 6.67 -4.77 -1.26 -4.32 116.67 114.96 1kfy s ASP 443 Ca 0.58 -1.11 0.00 0.00 -3.30 0.00 0.00 52.55 48.72 1kfy s ASP 443 Cb -0.43 0.01 0.00 0.00 -1.09 0.00 0.00 42.92 41.41 1kfy s ASP 443 CO 0.47 -0.43 0.00 0.61 0.70 0.00 0.00 175.17 176.52 1kfy n GLY 444 N -0.29 0.00 2.49 2.12 0.00 -1.26 -4.61 105.19 103.65 1kfy n GLY 444 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 1kfy n GLY 444 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfy n GLY 445 N 0.00 0.71 3.78 -0.02 0.00 -1.23 -4.84 105.19 103.59 1kfy n GLY 445 Ca 0.00 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1kfy n GLY 445 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kfy s GLU 446 N -2.03 4.17 -0.31 1.61 0.41 -0.73 -4.91 118.70 116.91 1kfy s GLU 446 Ca 0.00 0.51 -0.25 0.00 -0.41 0.00 0.00 54.97 54.83 1kfy s GLU 446 Cb 0.00 -3.32 0.00 0.00 -1.78 0.00 0.00 34.13 29.04 1kfy s GLU 446 CO 0.00 0.45 0.84 1.21 -0.49 0.00 0.00 175.26 177.27 1kfy s ASN 447 N -0.35 6.72 0.26 -0.19 2.47 -1.26 -2.96 114.94 119.63 1kfy s ASN 447 Ca 0.26 0.74 -0.02 0.00 0.42 0.00 0.00 52.86 54.26 1kfy s ASN 447 Cb -0.17 -2.43 0.51 0.00 -1.45 0.00 0.00 41.25 37.71 1kfy s ASN 447 CO 0.13 -0.67 1.75 4.11 -3.72 0.00 0.00 177.10 178.71 1kfy h TRP 448 N 8.11 0.68 -0.69 0.43 5.08 -1.97 -1.96 115.95 125.63 1kfy h TRP 448 Ca -0.24 0.03 0.09 0.00 1.08 0.00 0.00 58.89 59.86 1kfy h TRP 448 Cb 1.09 -0.18 -0.04 0.00 -3.00 0.00 0.00 29.16 27.03 1kfy h TRP 448 CO 0.79 0.14 0.46 0.00 -1.28 0.00 0.00 178.44 178.55 1kfy h ALA 449 N 1.55 1.85 0.00 0.11 0.00 -1.99 -0.38 119.26 120.41 1kfy h ALA 449 Ca 0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 1kfy h ALA 449 Cb 0.65 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1kfy h ALA 449 CO -0.37 0.01 -0.45 0.87 0.00 0.00 0.00 179.25 179.30 1kfy h LYS 450 N 0.60 0.00 -0.17 0.00 1.79 -1.78 -0.98 116.57 116.04 1kfy h LYS 450 Ca 0.31 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.68 1kfy h LYS 450 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1kfy h LYS 450 CO -0.10 0.45 -0.31 0.82 -1.08 0.00 0.00 179.45 179.23 1kfy h ILE 451 N 0.00 1.35 -0.07 1.86 2.04 -1.03 -2.44 117.51 119.22 1kfy h ILE 451 Ca -0.00 -1.55 0.04 0.00 1.00 0.00 0.00 64.86 64.34 1kfy h ILE 451 Cb 1.09 1.93 -0.06 0.00 -0.74 0.00 0.00 36.82 39.04 1kfy h ILE 451 CO 0.06 0.47 -0.37 -0.09 0.00 0.00 0.00 178.15 178.22 1kfy h ARG 452 N 0.15 -0.46 -0.47 2.37 2.43 -0.85 0.32 114.38 117.86 1kfy h ARG 452 Ca 0.01 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1kfy h ARG 452 Cb 0.90 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.49 1kfy h ARG 452 CO 0.07 -0.31 0.08 -0.44 -1.51 0.00 0.00 179.97 177.86 1kfy h ASP 453 N -0.48 -0.04 -0.75 -3.80 3.32 -1.19 -1.40 116.42 112.09 1kfy h ASP 453 Ca 0.07 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1kfy h ASP 453 Cb 0.59 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 1kfy h ASP 453 CO -0.33 0.01 0.38 -0.33 -1.72 0.00 0.00 179.24 177.25 1kfy h GLU 454 N 0.21 1.07 0.39 3.56 5.08 -0.88 -0.80 114.58 123.20 1kfy h GLU 454 Ca 0.24 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1kfy h GLU 454 Cb 0.32 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1kfy h GLU 454 CO -0.33 0.82 -0.39 1.98 -1.00 0.00 0.00 179.01 180.10 1kfy h MET 455 N 1.05 -0.77 -0.59 2.33 4.05 -0.31 -0.12 114.93 120.57 1kfy h MET 455 Ca 0.26 0.05 0.12 0.00 -0.28 0.00 0.00 59.70 59.85 1kfy h MET 455 Cb 0.09 0.17 -0.09 0.00 -0.80 0.00 0.00 31.60 30.97 1kfy h MET 455 CO -0.04 -0.51 0.06 0.78 0.23 0.00 0.00 176.91 177.44 1kfy h GLY 456 N -0.80 0.69 1.42 1.39 0.00 -0.95 -0.12 103.07 104.70 1kfy h GLY 456 Ca -0.03 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1kfy h GLY 456 CO -0.06 -0.15 0.35 1.41 0.00 0.00 0.00 176.54 178.09 1kfy h LEU 457 N 0.18 0.57 -0.09 3.11 3.38 -0.62 -1.80 115.31 120.04 1kfy h LEU 457 Ca 0.31 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1kfy h LEU 457 Cb 0.48 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1kfy h LEU 457 CO -0.45 0.40 -0.07 0.00 0.09 0.00 0.00 178.44 178.42 1kfy h ALA 458 N 1.68 0.13 -0.31 1.53 0.00 0.73 -1.92 119.26 121.10 1kfy h ALA 458 Ca 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1kfy h ALA 458 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1kfy h ALA 458 CO -0.05 -0.07 0.20 0.52 0.00 0.00 0.00 179.25 179.86 1kfy h MET 459 N -0.18 0.41 -0.18 0.00 2.86 -0.81 0.18 114.93 117.20 1kfy h MET 459 Ca 0.02 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1kfy h MET 459 Cb 0.55 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1kfy h MET 459 CO 0.02 0.27 -0.34 1.49 1.06 0.00 0.00 176.91 179.41 1kfy h GLU 460 N 0.42 0.55 0.04 1.72 4.57 -1.22 -1.99 114.58 118.68 1kfy h GLU 460 Ca 0.11 -0.35 -0.11 0.00 -1.18 0.00 0.00 59.36 57.84 1kfy h GLU 460 Cb -0.05 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1kfy h GLU 460 CO -0.02 0.96 -0.44 1.49 -1.18 0.00 0.00 179.01 179.81 1kfy h GLU 461 N 0.21 0.23 0.03 1.92 4.81 -1.01 -3.32 114.58 117.45 1kfy h GLU 461 Ca 0.01 -0.30 -0.27 0.00 -0.13 0.00 0.00 59.36 58.67 1kfy h GLU 461 Cb 0.93 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 1kfy h GLU 461 CO 0.08 1.06 -1.44 0.78 -0.73 0.00 0.00 179.01 178.75 1kfy h GLY 462 N -0.47 0.07 -4.59 1.92 0.00 -0.79 -3.39 103.07 95.82 1kfy h GLY 462 Ca -0.07 -0.18 -0.62 0.00 0.00 0.00 0.00 47.33 46.46 1kfy h GLY 462 CO 0.08 0.16 -0.40 0.00 0.00 0.00 0.00 176.54 176.38 1kfy n GLY 464 N -0.50 1.64 0.33 0.00 0.00 -1.25 -4.79 105.19 100.62 1kfy n GLY 464 Ca 0.42 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1kfy n GLY 464 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1kfy h ILE 465 N 0.00 1.19 -3.22 -0.61 2.04 -1.91 -3.41 117.51 111.59 1kfy h ILE 465 Ca 0.00 -0.45 -0.56 0.00 1.00 0.00 0.00 64.86 64.85 1kfy h ILE 465 Cb 0.00 0.31 -0.36 0.00 -0.74 0.00 0.00 36.82 36.04 1kfy h ILE 465 CO 0.00 0.20 -0.82 -0.31 0.00 0.00 0.00 178.15 177.22 1kfy s TYR 466 N -5.62 1.78 -0.06 1.37 4.12 -1.26 -4.42 117.35 113.27 1kfy s TYR 466 Ca -0.10 -0.88 0.03 0.00 0.02 0.00 0.00 57.07 56.14 1kfy s TYR 466 Cb 0.17 -1.35 -0.03 0.00 -1.52 0.00 0.00 41.96 39.23 1kfy s TYR 466 CO 0.78 -0.51 -0.14 1.03 0.02 0.00 0.00 175.55 176.73 1kfy s ARG 467 N 1.31 2.58 0.04 -0.62 0.52 0.87 -4.94 118.95 118.72 1kfy s ARG 467 Ca -0.01 -0.69 0.08 0.00 -0.52 0.00 0.00 55.73 54.60 1kfy s ARG 467 Cb -0.14 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.90 1kfy s ARG 467 CO -0.05 0.59 -0.24 0.95 0.02 0.00 0.00 175.30 176.57 1kfy s THR 468 N -0.65 1.96 0.44 0.02 -4.23 -1.26 -1.37 115.64 110.55 1kfy s THR 468 Ca 0.10 -1.29 0.11 0.00 -1.18 0.00 0.00 61.69 59.43 1kfy s THR 468 Cb -0.11 -1.68 0.29 0.00 1.34 0.00 0.00 72.50 72.34 1kfy s THR 468 CO 0.01 0.33 2.06 1.55 -0.54 0.00 0.00 174.62 178.03 1kfy h PRO 469 N 4.90 0.38 -0.23 3.99 0.13 -1.97 -0.18 132.00 139.03 1kfy h PRO 469 Ca -0.45 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1kfy h PRO 469 Cb 1.15 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1kfy h PRO 469 CO 0.44 0.25 0.10 1.49 -0.23 0.00 0.00 178.00 180.06 1kfy h GLU 470 N 0.39 0.33 0.04 0.86 4.81 -1.99 -0.90 114.58 118.12 1kfy h GLU 470 Ca 0.15 -0.05 -0.25 0.00 -0.13 0.00 0.00 59.36 59.08 1kfy h GLU 470 Cb 0.13 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.46 1kfy h GLU 470 CO -0.04 0.35 -1.06 -0.07 -0.73 0.00 0.00 179.01 177.46 1kfy h LEU 471 N 0.23 0.66 -0.48 1.64 3.38 -1.85 -1.95 115.31 116.94 1kfy h LEU 471 Ca 0.08 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1kfy h LEU 471 Cb 0.13 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1kfy h LEU 471 CO -0.01 1.38 0.28 0.24 0.09 0.00 0.00 178.44 180.42 1kfy h MET 472 N 0.25 0.66 -0.26 1.13 2.86 -1.01 -0.77 114.93 117.79 1kfy h MET 472 Ca -0.12 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1kfy h MET 472 Cb 1.71 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 33.22 1kfy h MET 472 CO 0.19 0.50 0.11 0.37 1.06 0.00 0.00 176.91 179.14 1kfy h GLN 473 N 0.64 0.23 -1.00 1.72 5.75 -1.19 0.15 115.11 121.41 1kfy h GLN 473 Ca 0.17 -0.01 0.23 0.00 -0.15 0.00 0.00 58.65 58.89 1kfy h GLN 473 Cb 0.02 -0.05 -0.09 0.00 1.07 0.00 0.00 27.48 28.42 1kfy h GLN 473 CO -0.03 0.15 0.63 -0.22 -2.65 0.00 0.00 178.83 176.72 1kfy h LYS 474 N 0.24 0.49 -0.10 1.69 3.64 -0.50 0.91 116.57 122.93 1kfy h LYS 474 Ca 0.11 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.24 1kfy h LYS 474 Cb 0.06 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1kfy h LYS 474 CO -0.10 0.32 -0.80 1.15 -2.27 0.00 0.00 179.45 177.76 1kfy h THR 475 N 0.51 1.30 -0.59 1.00 2.02 -0.16 -2.25 112.91 114.72 1kfy h THR 475 Ca 0.57 -2.02 -0.04 0.00 0.77 0.00 0.00 66.41 65.68 1kfy h THR 475 Cb 1.26 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 69.79 1kfy h THR 475 CO -0.31 0.63 0.21 0.40 0.37 0.00 0.00 175.52 176.82 1kfy h ILE 476 N 0.41 1.22 0.00 3.11 2.04 0.11 0.19 117.51 124.59 1kfy h ILE 476 Ca -0.07 -0.73 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 1kfy h ILE 476 Cb 1.44 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1kfy h ILE 476 CO 0.16 0.29 -0.33 0.44 0.00 0.00 0.00 178.15 178.70 1kfy h ASP 477 N 0.86 0.00 0.02 1.72 3.32 -0.94 -2.09 116.42 119.32 1kfy h ASP 477 Ca 0.20 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.04 1kfy h ASP 477 Cb 0.22 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.78 1kfy h ASP 477 CO -0.01 0.33 -0.81 0.50 -1.72 0.00 0.00 179.24 177.53 1kfy h LYS 478 N 0.00 0.52 -0.40 3.56 1.63 -0.72 -2.63 116.57 118.54 1kfy h LYS 478 Ca -0.00 -0.58 -0.05 0.00 -0.85 0.00 0.00 60.65 59.16 1kfy h LYS 478 Cb 0.60 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.38 1kfy h LYS 478 CO 0.04 1.21 0.03 -0.07 -3.45 0.00 0.00 179.45 177.22 1kfy h LEU 479 N 0.08 0.58 -0.16 5.20 3.38 -0.78 0.18 115.31 123.78 1kfy h LEU 479 Ca -0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1kfy h LEU 479 Cb 1.51 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1kfy h LEU 479 CO 0.16 0.63 0.07 0.00 0.09 0.00 0.00 178.44 179.39 1kfy h ALA 480 N 1.45 0.21 -0.14 1.53 0.00 -1.37 -1.50 119.26 119.44 1kfy h ALA 480 Ca 0.13 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1kfy h ALA 480 Cb 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1kfy h ALA 480 CO 0.01 -0.22 -0.05 1.49 0.00 0.00 0.00 179.25 180.47 1kfy h GLU 481 N 0.12 -0.03 0.00 0.00 4.81 -1.07 -1.11 114.58 117.30 1kfy h GLU 481 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1kfy h GLU 481 Cb 0.14 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1kfy h GLU 481 CO -0.01 -0.02 0.00 -0.07 -0.73 0.00 0.00 179.01 178.18 1kfy h LEU 482 N -0.03 0.00 0.22 1.64 3.38 -0.19 -0.53 115.31 119.79 1kfy h LEU 482 Ca 0.07 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.74 1kfy h LEU 482 Cb 0.14 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.93 1kfy h LEU 482 CO -0.16 0.00 -1.31 1.56 0.09 0.00 0.00 178.44 178.62 1kfy h GLN 483 N 0.00 0.50 -0.77 1.13 1.08 -0.17 -1.83 115.11 115.06 1kfy h GLN 483 Ca 0.00 -0.83 -0.05 0.00 -1.45 0.00 0.00 58.65 56.32 1kfy h GLN 483 Cb 0.16 0.30 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 1kfy h GLN 483 CO 0.00 1.39 0.30 1.49 -0.95 0.00 0.00 178.83 181.06 1kfy h GLU 484 N 0.05 1.14 -0.06 1.46 4.57 -0.74 -1.83 114.58 119.17 1kfy h GLU 484 Ca -0.22 -0.21 -0.09 0.00 -1.18 0.00 0.00 59.36 57.66 1kfy h GLU 484 Cb 2.02 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 30.42 1kfy h GLU 484 CO 0.25 0.93 -0.37 0.00 -1.18 0.00 0.00 179.01 178.63 1kfy h ARG 485 N 1.12 0.11 -0.39 1.92 3.08 -1.25 -2.71 114.38 116.25 1kfy h ARG 485 Ca 0.26 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.28 1kfy h ARG 485 Cb 0.22 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1kfy h ARG 485 CO -0.02 0.48 0.26 0.35 -1.07 0.00 0.00 179.97 179.97 1kfy h PHE 486 N 0.10 0.43 0.00 3.04 3.57 -0.44 0.32 116.94 123.96 1kfy h PHE 486 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1kfy h PHE 486 Cb 0.71 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1kfy h PHE 486 CO 0.01 0.26 0.00 1.63 -2.23 0.00 0.00 178.31 177.97 1kfy n LYS 487 N -4.48 0.15 -0.63 1.11 5.02 -1.02 -2.53 118.16 115.78 1kfy n LYS 487 Ca 0.04 0.10 0.02 0.00 -2.02 0.00 0.00 58.31 56.45 1kfy n LYS 487 Cb 0.13 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 33.87 1kfy n LYS 487 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1kfy n ARG 488 N -1.40 2.54 -3.47 1.97 1.74 0.10 -4.77 116.66 113.37 1kfy n ARG 488 Ca 0.08 -2.98 -0.38 0.00 -0.77 0.00 0.00 57.85 53.80 1kfy n ARG 488 Cb 0.22 -1.87 -0.06 0.00 -1.02 0.00 0.00 32.46 29.73 1kfy n ARG 488 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1kfy s VAL 489 N -3.01 5.09 -0.16 1.55 1.01 -1.05 -1.77 120.40 122.05 1kfy s VAL 489 Ca 0.44 0.83 -0.00 0.00 0.00 0.00 0.00 61.98 63.25 1kfy s VAL 489 Cb 0.38 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 1kfy s VAL 489 CO 0.06 0.52 -0.14 -0.60 0.00 0.00 0.00 175.10 174.93 1kfy s ARG 490 N -0.62 3.25 -1.14 2.72 3.52 -1.15 -4.25 118.95 121.27 1kfy s ARG 490 Ca 0.23 -0.73 -0.16 0.00 -0.13 0.00 0.00 55.73 54.95 1kfy s ARG 490 Cb -0.16 -2.66 0.15 0.00 -1.56 0.00 0.00 34.95 30.72 1kfy s ARG 490 CO 0.12 0.01 1.39 0.42 -0.81 0.00 0.00 175.30 176.43 1kfy s ILE 491 N 0.83 4.84 -0.05 4.11 1.01 -1.26 -4.87 121.20 125.81 1kfy s ILE 491 Ca -0.05 -2.25 0.15 0.00 0.00 0.00 0.00 60.65 58.50 1kfy s ILE 491 Cb -0.15 -4.91 0.15 0.00 0.01 0.00 0.00 42.46 37.56 1kfy s ILE 491 CO -0.00 -1.64 1.37 0.35 0.00 0.00 0.00 174.94 175.02 1kfy n THR 492 N 5.07 0.73 -3.35 2.92 -2.24 -1.26 -4.29 114.28 111.85 1kfy n THR 492 Ca 0.35 0.74 -0.43 0.00 -2.27 0.00 0.00 64.05 62.44 1kfy n THR 492 Cb 0.45 -1.74 -0.09 0.00 -2.10 0.00 0.00 70.33 66.85 1kfy n THR 492 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1kfy s ASP 493 N -3.54 6.18 -0.23 3.42 -1.08 -1.26 -4.91 116.67 115.26 1kfy s ASP 493 Ca -0.02 -0.62 0.15 0.00 -0.52 0.00 0.00 52.55 51.54 1kfy s ASP 493 Cb 0.04 -2.21 0.70 0.00 -1.46 0.00 0.00 42.92 39.99 1kfy s ASP 493 CO 0.13 -0.52 1.63 0.35 0.52 0.00 0.00 175.17 177.28 1kfy n THR 494 N 5.37 2.61 -0.70 1.71 -2.24 -1.26 -4.76 114.28 115.00 1kfy n THR 494 Ca -0.08 -1.65 -0.11 0.00 -2.27 0.00 0.00 64.05 59.94 1kfy n THR 494 Cb 0.48 -0.28 0.09 0.00 -2.10 0.00 0.00 70.33 68.51 1kfy n THR 494 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1kfy n SER 495 N 0.06 -1.37 0.00 3.42 3.41 -1.26 -5.04 113.62 112.84 1kfy n SER 495 Ca 0.27 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 1kfy n SER 495 Cb 1.10 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1kfy n SER 495 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1kfy n SER 496 N -3.65 1.50 -4.50 4.04 7.64 -1.26 -4.88 113.62 112.51 1kfy n SER 496 Ca 0.05 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.50 1kfy n SER 496 Cb 0.21 0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 63.58 1kfy n SER 496 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1kfy s VAL 497 N -0.90 4.82 -1.03 0.44 1.01 -1.26 -2.70 120.40 120.79 1kfy s VAL 497 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 1kfy s VAL 497 Cb 0.00 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1kfy s VAL 497 CO 0.00 -0.67 0.75 0.33 0.00 0.00 0.00 175.10 175.52 1kfy n PHE 498 N 6.29 -2.09 -2.82 5.22 7.35 -0.39 -4.89 117.46 126.13 1kfy n PHE 498 Ca -0.03 0.61 -0.43 0.00 -0.76 0.00 0.00 57.45 56.85 1kfy n PHE 498 Cb 0.47 -3.44 -0.04 0.00 0.35 0.00 0.00 39.48 36.83 1kfy n PHE 498 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1kfy s ASN 499 N -3.32 6.25 0.30 -2.13 3.84 -1.26 -4.86 114.94 113.76 1kfy s ASN 499 Ca 0.33 -1.10 0.16 0.00 0.21 0.00 0.00 52.86 52.47 1kfy s ASN 499 Cb -0.12 -2.44 0.11 0.00 -0.55 0.00 0.00 41.25 38.25 1kfy s ASN 499 CO 0.85 -1.44 1.47 0.71 -2.79 0.00 0.00 177.10 175.90 1kfy h THR 500 N 6.00 0.74 -0.60 -5.21 1.35 -1.96 -3.19 112.91 110.05 1kfy h THR 500 Ca -0.20 -2.04 0.03 0.00 -0.55 0.00 0.00 66.41 63.64 1kfy h THR 500 Cb 1.06 2.36 -0.04 0.00 -1.73 0.00 0.00 68.15 69.80 1kfy h THR 500 CO 1.20 0.42 0.37 -0.78 -0.25 0.00 0.00 175.52 176.47 1kfy h ASP 501 N 0.00 0.60 -0.13 5.36 3.58 -1.94 0.54 116.42 124.43 1kfy h ASP 501 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1kfy h ASP 501 Cb 1.33 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 1kfy h ASP 501 CO 0.06 0.42 -0.09 0.25 -2.88 0.00 0.00 179.24 177.00 1kfy h LEU 502 N 0.72 0.29 -0.62 2.28 5.85 -1.85 -2.83 115.31 119.15 1kfy h LEU 502 Ca 0.24 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 1kfy h LEU 502 Cb 0.02 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1kfy h LEU 502 CO -0.10 0.68 0.22 -0.07 -0.34 0.00 0.00 178.44 178.82 1kfy h LEU 503 N -0.09 0.89 -1.32 2.25 3.38 -1.43 -0.46 115.31 118.54 1kfy h LEU 503 Ca 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1kfy h LEU 503 Cb 0.58 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1kfy h LEU 503 CO 0.02 0.84 0.33 1.88 0.09 0.00 0.00 178.44 181.61 1kfy h TYR 504 N 0.88 0.78 -0.53 1.13 0.99 0.02 -1.38 116.97 118.85 1kfy h TYR 504 Ca 0.20 -0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.82 1kfy h TYR 504 Cb 0.25 -0.25 -0.02 0.00 1.00 0.00 0.00 36.73 37.71 1kfy h TYR 504 CO 0.02 0.53 -0.11 1.15 -0.00 0.00 0.00 178.16 179.75 1kfy h THR 505 N 0.81 1.27 0.10 -2.88 2.02 -1.06 -0.32 112.91 112.85 1kfy h THR 505 Ca 0.21 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 1kfy h THR 505 Cb 0.00 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1kfy h THR 505 CO -0.04 0.45 -0.05 0.40 0.37 0.00 0.00 175.52 176.65 1kfy h ILE 506 N 0.88 1.01 -0.80 3.11 2.04 -0.53 -2.27 117.51 120.95 1kfy h ILE 506 Ca 0.14 -0.42 0.19 0.00 1.00 0.00 0.00 64.86 65.77 1kfy h ILE 506 Cb 0.68 1.28 -0.13 0.00 -0.74 0.00 0.00 36.82 37.91 1kfy h ILE 506 CO 0.05 0.10 0.14 -0.33 0.00 0.00 0.00 178.15 178.11 1kfy h GLU 507 N -0.33 0.18 -0.69 2.37 5.08 -1.08 0.58 114.58 120.69 1kfy h GLU 507 Ca -0.01 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1kfy h GLU 507 Cb 0.27 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1kfy h GLU 507 CO 0.02 0.12 0.46 1.25 -1.00 0.00 0.00 179.01 179.86 1kfy h LEU 508 N 0.19 0.61 0.04 1.33 5.85 -0.61 -1.67 115.31 121.05 1kfy h LEU 508 Ca 0.47 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.19 1kfy h LEU 508 Cb 0.86 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1kfy h LEU 508 CO -0.62 0.39 -0.02 1.23 -0.34 0.00 0.00 178.44 179.08 1kfy h GLY 509 N 0.69 -0.06 0.67 3.75 0.00 0.71 -2.43 103.07 106.40 1kfy h GLY 509 Ca 0.30 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.72 1kfy h GLY 509 CO -0.10 -0.02 0.49 0.45 0.00 0.00 0.00 176.54 177.35 1kfy h HIS 510 N -0.14 0.89 -0.07 5.60 3.86 -0.99 -2.50 115.15 121.80 1kfy h HIS 510 Ca -0.01 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1kfy h HIS 510 Cb 0.12 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1kfy h HIS 510 CO -0.05 0.43 -0.01 0.78 0.86 0.00 0.00 177.93 179.94 1kfy h GLY 511 N 0.87 0.05 0.36 2.45 0.00 -1.13 0.48 103.07 106.16 1kfy h GLY 511 Ca 0.36 0.02 0.12 0.00 0.00 0.00 0.00 47.33 47.83 1kfy h GLY 511 CO -0.19 -0.02 0.40 1.41 0.00 0.00 0.00 176.54 178.13 1kfy h LEU 512 N 0.00 0.51 -0.13 3.11 3.38 -1.02 0.92 115.31 122.08 1kfy h LEU 512 Ca 0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1kfy h LEU 512 Cb 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1kfy h LEU 512 CO -0.07 0.26 0.03 0.78 0.09 0.00 0.00 178.44 179.53 1kfy h ASN 513 N 0.63 0.19 0.04 -0.43 2.35 -1.04 -2.46 115.58 114.86 1kfy h ASN 513 Ca 0.40 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 1kfy h ASN 513 Cb 0.49 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1kfy h ASN 513 CO -0.31 0.37 -0.23 0.58 -1.65 0.00 0.00 177.43 176.19 1kfy h VAL 514 N 0.00 1.24 -0.37 2.81 2.07 -0.04 -2.77 116.25 119.19 1kfy h VAL 514 Ca 0.04 -1.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 1kfy h VAL 514 Cb 0.25 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1kfy h VAL 514 CO 0.00 0.35 -0.07 0.00 0.02 0.00 0.00 177.57 177.87 1kfy h ALA 515 N 1.46 1.19 -0.28 1.67 0.00 0.10 -2.55 119.26 120.85 1kfy h ALA 515 Ca 0.05 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1kfy h ALA 515 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1kfy h ALA 515 CO 0.04 0.52 -0.36 0.93 0.00 0.00 0.00 179.25 180.38 1kfy h GLU 516 N 0.57 0.63 -0.49 0.00 5.08 -1.17 -1.41 114.58 117.79 1kfy h GLU 516 Ca 0.11 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1kfy h GLU 516 Cb 0.48 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1kfy h GLU 516 CO 0.03 0.90 0.30 0.00 -1.00 0.00 0.00 179.01 179.24 1kfy h MET 518 N 0.66 -0.89 0.06 0.00 2.86 -1.25 0.09 114.93 116.47 1kfy h MET 518 Ca 0.18 0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1kfy h MET 518 Cb -0.02 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1kfy h MET 518 CO -0.03 -0.59 -0.12 0.00 1.06 0.00 0.00 176.91 177.22 1kfy h ALA 519 N -0.59 -0.19 -0.96 6.32 0.00 -1.10 -0.42 119.26 122.32 1kfy h ALA 519 Ca -0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1kfy h ALA 519 Cb 0.71 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1kfy h ALA 519 CO 0.14 -0.63 0.59 0.45 0.00 0.00 0.00 179.25 179.80 1kfy h HIS 520 N -0.24 1.24 -0.47 0.00 3.86 -0.86 -0.34 115.15 118.34 1kfy h HIS 520 Ca 0.02 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1kfy h HIS 520 Cb 0.26 -0.41 -0.04 0.00 1.06 0.00 0.00 27.41 28.28 1kfy h HIS 520 CO -0.15 0.81 0.26 0.77 0.86 0.00 0.00 177.93 180.48 1kfy h SER 521 N 1.31 0.39 -0.22 2.45 0.02 -0.57 -2.16 113.55 114.77 1kfy h SER 521 Ca 0.34 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.24 1kfy h SER 521 Cb -0.08 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1kfy h SER 521 CO -0.07 0.28 -0.12 0.00 -1.14 0.00 0.00 176.83 175.78 1kfy h ALA 522 N 1.23 0.31 -0.30 3.77 0.00 -0.72 -2.68 119.26 120.86 1kfy h ALA 522 Ca 0.20 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1kfy h ALA 522 Cb 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1kfy h ALA 522 CO -0.12 0.17 0.21 1.98 0.00 0.00 0.00 179.25 181.50 1kfy h MET 523 N 0.18 0.21 0.00 0.00 -1.53 -0.81 -2.15 114.93 110.82 1kfy h MET 523 Ca 0.05 -0.01 -0.18 0.00 -3.44 0.00 0.00 59.70 56.12 1kfy h MET 523 Cb 0.63 -0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.60 1kfy h MET 523 CO 0.04 0.14 -0.99 0.00 0.14 0.00 0.00 176.91 176.23 1kfy h ALA 524 N 1.84 0.56 -0.95 0.39 0.00 -1.35 -3.41 119.26 116.34 1kfy h ALA 524 Ca 0.13 -0.82 -0.49 0.00 0.00 0.00 0.00 54.91 53.73 1kfy h ALA 524 Cb 0.26 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1kfy h ALA 524 CO -0.02 1.03 1.25 0.50 0.00 0.00 0.00 179.25 182.01 1kfy s ARG 525 N -2.81 3.23 -1.50 0.00 3.52 -0.81 -4.83 118.95 115.74 1kfy s ARG 525 Ca 0.01 -0.87 -0.09 0.00 -0.13 0.00 0.00 55.73 54.65 1kfy s ARG 525 Cb 0.09 -5.26 0.00 0.00 -1.56 0.00 0.00 34.95 28.22 1kfy s ARG 525 CO 0.79 -2.65 2.67 1.63 -0.81 0.00 0.00 175.30 176.94 1kfy n LYS 526 N 8.85 3.95 -3.83 5.12 5.02 -1.26 -4.79 118.16 131.21 1kfy n LYS 526 Ca 0.36 -2.71 -0.07 0.00 -2.02 0.00 0.00 58.31 53.87 1kfy n LYS 526 Cb 0.49 -2.78 -0.00 0.00 -0.02 0.00 0.00 35.03 32.72 1kfy n LYS 526 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1kfy s GLU 527 N 1.04 1.86 -0.19 1.97 -1.05 -1.26 -4.59 118.70 116.48 1kfy s GLU 527 Ca 0.62 -1.10 0.01 0.00 -0.15 0.00 0.00 54.97 54.34 1kfy s GLU 527 Cb 0.18 0.58 0.02 0.00 -0.44 0.00 0.00 34.13 34.47 1kfy s GLU 527 CO -0.07 -0.86 -0.18 -1.12 0.95 0.00 0.00 175.26 173.98 1kfy s SER 528 N -3.00 3.31 -0.08 0.83 0.01 -0.28 -4.45 113.70 110.05 1kfy s SER 528 Ca 0.13 -0.70 -0.04 0.00 1.31 0.00 0.00 55.95 56.66 1kfy s SER 528 Cb -0.05 -1.50 0.04 0.00 0.21 0.00 0.00 66.02 64.72 1kfy s SER 528 CO 0.08 -0.02 0.18 -0.60 0.41 0.00 0.00 173.24 173.29 1kfy s ARG 529 N 1.29 0.12 2.55 12.44 3.52 0.15 -2.80 118.95 136.22 1kfy s ARG 529 Ca 0.04 0.44 0.00 0.00 -0.13 0.00 0.00 55.73 56.08 1kfy s ARG 529 Cb -0.14 -0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.08 1kfy s ARG 529 CO -0.12 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 1kfy n GLY 530 N 4.35 2.87 0.29 8.12 0.00 -1.26 -0.16 105.19 119.40 1kfy n GLY 530 Ca -0.24 0.13 0.19 0.00 0.00 0.00 0.00 46.02 46.10 1kfy n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfy h ALA 531 N -0.32 1.00 -2.12 4.61 0.00 -1.01 -3.40 119.26 118.02 1kfy h ALA 531 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 1kfy h ALA 531 Cb 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.60 1kfy h ALA 531 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 179.25 177.67 1kfy s HIS 532 N -3.86 3.07 -0.12 0.00 5.04 0.77 -4.78 115.29 115.41 1kfy s HIS 532 Ca -0.02 -0.58 0.02 0.00 -1.54 0.00 0.00 55.06 52.95 1kfy s HIS 532 Cb 0.11 -3.49 0.01 0.00 0.04 0.00 0.00 32.58 29.25 1kfy s HIS 532 CO 0.45 -1.00 -0.19 -0.65 -2.34 0.00 0.00 174.74 171.01 1kfy s GLN 533 N 2.51 2.64 0.10 2.88 -1.52 -1.26 0.32 119.66 125.33 1kfy s GLN 533 Ca 0.14 -0.72 0.08 0.00 -1.95 0.00 0.00 55.36 52.91 1kfy s GLN 533 Cb -0.20 -2.15 -0.04 0.00 -0.22 0.00 0.00 33.01 30.40 1kfy s GLN 533 CO 0.11 -0.01 -0.18 1.03 -0.25 0.00 0.00 175.29 175.99 1kfy s ARG 534 N 0.83 1.86 -0.00 2.91 0.52 -1.26 -0.09 118.95 123.72 1kfy s ARG 534 Ca -0.08 -1.13 0.21 0.00 -0.52 0.00 0.00 55.73 54.20 1kfy s ARG 534 Cb -0.16 -2.14 -0.23 0.00 0.52 0.00 0.00 34.95 32.95 1kfy s ARG 534 CO -0.00 0.49 0.56 1.28 0.02 0.00 0.00 175.30 177.65 1kfy n LEU 535 N 0.94 0.29 -4.77 2.53 4.77 -0.47 -3.77 117.00 116.52 1kfy n LEU 535 Ca -0.16 0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.54 1kfy n LEU 535 Cb 0.53 0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.68 1kfy n LEU 535 CO 0.28 0.08 0.96 1.51 -1.33 0.00 0.00 177.39 178.89 1kfy s ASP 536 N -5.04 6.78 -0.08 -1.43 -4.77 -1.26 -4.74 116.67 106.13 1kfy s ASP 536 Ca -0.06 2.66 -0.40 0.00 -3.30 0.00 0.00 52.55 51.45 1kfy s ASP 536 Cb 0.11 -2.65 -0.18 0.00 -1.09 0.00 0.00 42.92 39.11 1kfy s ASP 536 CO 0.86 -0.52 1.38 1.21 0.70 0.00 0.00 175.17 178.79 1kfy n GLU 537 N 0.79 0.69 -0.57 2.11 2.13 -1.26 -1.84 120.64 122.68 1kfy n GLU 537 Ca 0.00 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.07 1kfy n GLU 537 Cb 0.42 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.29 1kfy n GLU 537 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kfy n GLY 538 N 2.75 0.75 0.00 8.31 0.00 -1.26 -4.84 105.19 110.90 1kfy n GLY 538 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1kfy n GLY 538 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfy n THR 540 N -0.63 0.45 -4.47 0.00 -2.24 -1.19 -1.13 114.28 105.08 1kfy n THR 540 Ca 0.00 0.11 -0.22 0.00 -2.27 0.00 0.00 64.05 61.67 1kfy n THR 540 Cb 0.00 -1.05 -0.11 0.00 -2.10 0.00 0.00 70.33 67.07 1kfy n THR 540 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1kfy s GLU 541 N -2.26 1.68 -0.08 -0.78 2.02 -1.26 -4.72 118.70 113.30 1kfy s GLU 541 Ca 0.05 -1.92 -0.29 0.00 0.02 0.00 0.00 54.97 52.82 1kfy s GLU 541 Cb 0.03 -1.02 -0.02 0.00 0.10 0.00 0.00 34.13 33.22 1kfy s GLU 541 CO 0.05 -0.13 0.98 0.50 0.02 0.00 0.00 175.26 176.68 1kfy s ARG 542 N -3.84 4.45 -0.57 1.61 3.52 -1.12 -1.37 118.95 121.63 1kfy s ARG 542 Ca 0.35 1.36 -0.03 0.00 -0.13 0.00 0.00 55.73 57.28 1kfy s ARG 542 Cb 0.08 -3.52 0.15 0.00 -1.56 0.00 0.00 34.95 30.10 1kfy s ARG 542 CO 0.15 -0.24 0.39 0.34 -0.81 0.00 0.00 175.30 175.14 1kfy s ASP 543 N 1.07 5.29 0.00 -2.12 2.15 -1.26 -4.92 116.67 116.87 1kfy s ASP 543 Ca 0.48 -2.63 0.21 0.00 0.43 0.00 0.00 52.55 51.05 1kfy s ASP 543 Cb -0.19 -1.86 1.08 0.00 -0.30 0.00 0.00 42.92 41.65 1kfy s ASP 543 CO 0.20 -0.43 1.72 0.47 -0.17 0.00 0.00 175.17 176.96 1kfy n ASP 544 N 3.81 0.54 -0.08 -0.34 8.00 -1.26 -1.33 116.55 125.89 1kfy n ASP 544 Ca 0.05 -1.47 -0.21 0.00 0.71 0.00 0.00 54.79 53.87 1kfy n ASP 544 Cb 0.39 -0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 41.34 1kfy n ASP 544 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1kfy n VAL 545 N -0.45 1.61 -0.03 2.53 0.31 -1.26 -4.35 118.33 116.69 1kfy n VAL 545 Ca 0.16 -0.52 0.01 0.00 -0.01 0.00 0.00 64.34 63.98 1kfy n VAL 545 Cb 0.16 -1.66 -0.11 0.00 -0.91 0.00 0.00 33.84 31.32 1kfy n VAL 545 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1kfy n ASN 546 N -3.60 1.73 -0.11 4.52 3.02 -1.24 -4.77 115.26 114.81 1kfy n ASN 546 Ca -0.41 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.22 1kfy n ASN 546 Cb 0.96 1.29 0.12 0.00 -0.61 0.00 0.00 39.78 41.54 1kfy n ASN 546 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1kfy n PHE 547 N -2.21 0.06 -1.45 3.10 3.01 -0.44 -4.81 117.46 114.71 1kfy n PHE 547 Ca -0.11 -0.87 -0.40 0.00 1.01 0.00 0.00 57.45 57.08 1kfy n PHE 547 Cb 0.62 -0.14 -0.02 0.00 -0.01 0.00 0.00 39.48 39.93 1kfy n PHE 547 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1kfy n LEU 548 N -1.15 7.56 -3.80 4.37 7.94 -1.21 -4.80 117.00 125.92 1kfy n LEU 548 Ca 0.13 -4.13 -0.09 0.00 -1.11 0.00 0.00 56.01 50.81 1kfy n LEU 548 Cb 0.57 -1.56 -0.06 0.00 0.53 0.00 0.00 43.42 42.90 1kfy n LEU 548 CO 0.02 1.48 0.01 -1.59 -1.11 0.00 0.00 177.39 176.19 1kfy s LYS 549 N 2.80 0.97 0.31 1.96 -2.85 -1.26 -4.31 119.74 117.37 1kfy s LYS 549 Ca 0.58 -0.91 -0.12 0.00 -1.00 0.00 0.00 55.97 54.52 1kfy s LYS 549 Cb 0.16 0.39 -0.08 0.00 -2.06 0.00 0.00 37.83 36.24 1kfy s LYS 549 CO -0.06 -0.35 0.68 -1.01 0.10 0.00 0.00 175.35 174.71 1kfy s HIS 550 N -3.86 3.41 -0.14 1.78 3.76 0.11 -4.88 115.29 115.47 1kfy s HIS 550 Ca 0.06 1.07 -0.18 0.00 -0.15 0.00 0.00 55.06 55.86 1kfy s HIS 550 Cb 0.04 -2.42 -0.04 0.00 1.11 0.00 0.00 32.58 31.26 1kfy s HIS 550 CO -0.09 0.11 0.46 0.99 -0.85 0.00 0.00 174.74 175.35 1kfy s THR 551 N -2.01 5.19 -0.17 1.30 2.01 -1.26 -2.46 115.64 118.25 1kfy s THR 551 Ca 0.51 0.89 -0.00 0.00 0.31 0.00 0.00 61.69 63.40 1kfy s THR 551 Cb -0.10 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.61 1kfy s THR 551 CO 0.21 0.31 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.54 1kfy s LEU 552 N 0.80 2.46 -0.20 4.42 1.43 0.59 -0.34 118.68 127.85 1kfy s LEU 552 Ca 0.24 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1kfy s LEU 552 Cb -0.15 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1kfy s LEU 552 CO 0.09 0.05 -0.11 0.00 0.23 0.00 0.00 176.35 176.61 1kfy s ALA 553 N 1.02 2.61 0.20 4.21 0.00 -0.68 -0.69 121.76 128.42 1kfy s ALA 553 Ca -0.01 -1.16 0.08 0.00 0.00 0.00 0.00 51.96 50.87 1kfy s ALA 553 Cb -0.15 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1kfy s ALA 553 CO -0.03 -0.33 -0.01 -0.06 0.00 0.00 0.00 175.76 175.33 1kfy s PHE 554 N 1.30 2.80 -0.19 0.00 0.40 -0.01 -0.72 117.98 121.56 1kfy s PHE 554 Ca 0.04 -0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 1kfy s PHE 554 Cb -0.14 -1.33 0.04 0.00 0.51 0.00 0.00 43.02 42.11 1kfy s PHE 554 CO -0.06 0.54 -0.07 0.50 0.70 0.00 0.00 175.22 176.83 1kfy s ARG 555 N -3.13 1.64 0.83 0.44 3.52 -1.26 -1.19 118.95 119.80 1kfy s ARG 555 Ca 0.28 -0.68 -0.12 0.00 -0.13 0.00 0.00 55.73 55.08 1kfy s ARG 555 Cb -0.09 -2.22 0.10 0.00 -1.56 0.00 0.00 34.95 31.18 1kfy s ARG 555 CO 0.19 -0.46 1.19 -0.51 -0.81 0.00 0.00 175.30 174.90 1kfy s ASP 556 N 1.53 4.27 0.56 -2.12 1.01 -0.48 -4.74 116.67 116.71 1kfy s ASP 556 Ca -0.01 0.73 0.37 0.00 0.71 0.00 0.00 52.55 54.35 1kfy s ASP 556 Cb -0.16 -1.18 1.74 0.00 1.01 0.00 0.00 42.92 44.33 1kfy s ASP 556 CO -0.08 -2.05 2.10 0.00 0.21 0.00 0.00 175.17 175.35 1kfy h ALA 557 N -1.16 1.00 -0.05 5.23 0.00 -1.97 -1.70 119.26 120.61 1kfy h ALA 557 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1kfy h ALA 557 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1kfy h ALA 557 CO 0.63 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 1kfy n ASP 558 N -2.99 0.53 0.00 0.00 3.85 -1.26 -4.88 116.55 111.80 1kfy n ASP 558 Ca -0.01 -1.51 0.00 0.00 -0.71 0.00 0.00 54.79 52.56 1kfy n ASP 558 Cb 0.20 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 39.93 1kfy n ASP 558 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1kfy n GLY 559 N 0.90 0.70 3.85 6.12 0.00 -0.64 -5.04 105.19 111.07 1kfy n GLY 559 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1kfy n GLY 559 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kfy s THR 560 N -2.45 5.13 -0.52 2.61 -4.23 -1.26 -4.87 115.64 110.05 1kfy s THR 560 Ca 0.00 0.70 -0.17 0.00 -1.18 0.00 0.00 61.69 61.03 1kfy s THR 560 Cb 0.00 -3.64 0.08 0.00 1.34 0.00 0.00 72.50 70.28 1kfy s THR 560 CO 0.00 0.58 0.55 -0.89 -0.54 0.00 0.00 174.62 174.32 1kfy s THR 561 N -1.08 5.04 -0.08 3.99 2.01 -1.26 -1.39 115.64 122.88 1kfy s THR 561 Ca 0.22 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 61.21 1kfy s THR 561 Cb -0.16 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 1kfy s THR 561 CO 0.12 -0.81 0.15 -0.13 -0.69 0.00 0.00 174.62 173.25 1kfy s ARG 562 N 2.15 3.42 0.07 4.92 0.52 -0.34 -4.93 118.95 124.76 1kfy s ARG 562 Ca 0.09 -0.21 0.02 0.00 -0.52 0.00 0.00 55.73 55.10 1kfy s ARG 562 Cb -0.24 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 1kfy s ARG 562 CO 0.07 0.74 0.10 -0.51 0.02 0.00 0.00 175.30 175.72 1kfy s LEU 563 N -1.36 3.91 0.06 2.53 1.43 -1.26 -0.83 118.68 123.16 1kfy s LEU 563 Ca 0.19 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.34 1kfy s LEU 563 Cb -0.12 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1kfy s LEU 563 CO 0.09 0.18 -0.01 -1.61 0.23 0.00 0.00 176.35 175.24 1kfy s GLU 564 N -2.35 0.66 0.03 1.70 2.02 0.13 -4.98 118.70 115.91 1kfy s GLU 564 Ca 0.30 -1.23 0.05 0.00 0.02 0.00 0.00 54.97 54.11 1kfy s GLU 564 Cb -0.12 0.22 -0.02 0.00 0.10 0.00 0.00 34.13 34.31 1kfy s GLU 564 CO 0.22 -0.14 -0.15 0.71 0.02 0.00 0.00 175.26 175.93 1kfy s TYR 565 N -3.93 1.29 0.22 1.61 1.51 -1.26 -0.30 117.35 116.50 1kfy s TYR 565 Ca 0.09 -0.33 0.06 0.00 -1.01 0.00 0.00 57.07 55.88 1kfy s TYR 565 Cb 0.08 -0.78 -0.05 0.00 -0.11 0.00 0.00 41.96 41.10 1kfy s TYR 565 CO -0.09 0.03 -0.09 -1.54 -1.11 0.00 0.00 175.55 172.75 1kfy s SER 566 N -0.97 2.42 0.44 2.29 1.04 -1.03 -4.93 113.70 112.97 1kfy s SER 566 Ca 0.03 -1.10 -0.11 0.00 0.48 0.00 0.00 55.95 55.24 1kfy s SER 566 Cb -0.07 -0.11 -0.06 0.00 0.10 0.00 0.00 66.02 65.87 1kfy s SER 566 CO 0.01 -0.30 0.83 -1.81 0.98 0.00 0.00 173.24 172.95 1kfy s ASP 567 N -3.34 6.52 -0.24 7.02 1.01 -1.26 0.09 116.67 126.46 1kfy s ASP 567 Ca 0.25 1.22 -0.11 0.00 0.71 0.00 0.00 52.55 54.63 1kfy s ASP 567 Cb 0.02 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.54 1kfy s ASP 567 CO 0.08 -0.47 0.17 -0.69 0.21 0.00 0.00 175.17 174.47 1kfy s VAL 568 N -2.48 5.35 -0.31 -1.27 1.01 -1.26 -4.77 120.40 116.68 1kfy s VAL 568 Ca 0.53 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 62.41 1kfy s VAL 568 Cb -0.10 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1kfy s VAL 568 CO 0.33 0.33 1.78 -0.75 0.00 0.00 0.00 175.10 176.79 1kfy s LYS 569 N 1.14 3.41 0.12 2.72 2.47 -1.26 -4.99 119.74 123.36 1kfy s LYS 569 Ca 0.08 1.49 -0.03 0.00 -1.56 0.00 0.00 55.97 55.94 1kfy s LYS 569 Cb -0.14 -4.18 -0.05 0.00 -1.46 0.00 0.00 37.83 32.01 1kfy s LYS 569 CO 0.05 -1.76 0.33 0.42 0.16 0.00 0.00 175.35 174.55 1kfy s ILE 570 N 6.62 5.23 0.03 5.43 -1.09 -1.26 -1.33 121.20 134.82 1kfy s ILE 570 Ca 0.79 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 1kfy s ILE 570 Cb -0.23 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1kfy s ILE 570 CO 0.33 0.06 0.00 0.35 -1.23 0.00 0.00 174.94 174.45 1kfy n THR 571 N 0.10 0.08 -0.02 2.92 -2.24 -1.26 -4.92 114.28 108.95 1kfy n THR 571 Ca -0.03 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1kfy n THR 571 Cb 0.52 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1kfy n THR 571 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1kfy n THR 572 N -2.64 0.00 -3.87 4.28 -2.24 -1.26 -4.92 114.28 103.63 1kfy n THR 572 Ca 0.00 -0.48 -0.30 0.00 -2.27 0.00 0.00 64.05 61.00 1kfy n THR 572 Cb 0.00 1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 69.11 1kfy n THR 572 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1kfy s LEU 573 N -1.13 3.83 0.58 3.22 2.96 -1.26 -5.11 118.68 121.77 1kfy s LEU 573 Ca 0.00 -2.98 -0.17 0.00 -0.22 0.00 0.00 54.13 50.76 1kfy s LEU 573 Cb 0.00 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 1kfy s LEU 573 CO 0.00 -0.23 1.08 -2.16 -1.32 0.00 0.00 176.35 173.72 1kfy s PRO 574 N -0.21 3.28 -0.79 0.98 0.04 -1.26 -4.95 135.00 132.08 1kfy s PRO 574 Ca 0.18 1.33 -0.24 0.00 0.04 0.00 0.00 61.00 62.31 1kfy s PRO 574 Cb -0.23 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.34 1kfy s PRO 574 CO -0.02 -0.86 1.23 -1.25 0.04 0.00 0.00 177.00 176.14 1kfy s PRO 575 N -3.83 3.29 0.00 0.56 0.04 -1.26 -5.16 135.00 128.64 1kfy s PRO 575 Ca 0.66 -0.68 0.02 0.00 0.04 0.00 0.00 61.00 61.05 1kfy s PRO 575 Cb -0.18 -4.49 0.02 0.00 0.04 0.00 0.00 34.50 29.88 1kfy s PRO 575 CO 0.34 -2.05 0.58 0.00 0.04 0.00 0.00 177.00 175.90