#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfy n GLN 1 N 0.00 0.00 -4.16 0.03 7.27 -1.26 -4.60 117.38 114.66 1kfy n GLN 1 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 1kfy n GLN 1 Cb 0.00 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.54 1kfy n GLN 1 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1kfy s THR 2 N -1.62 0.84 0.01 1.69 2.01 -1.26 -1.12 115.64 116.19 1kfy s THR 2 Ca 0.00 -1.65 0.02 0.00 0.31 0.00 0.00 61.69 60.37 1kfy s THR 2 Cb 0.00 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 1kfy s THR 2 CO 0.00 -0.61 -0.06 -0.36 -0.69 0.00 0.00 174.62 172.89 1kfy s PHE 3 N -2.60 0.56 -0.18 4.92 0.40 -0.06 -4.95 117.98 116.06 1kfy s PHE 3 Ca 0.05 -0.18 -0.14 0.00 -0.60 0.00 0.00 56.93 56.06 1kfy s PHE 3 Cb -0.02 -0.35 -0.04 0.00 0.51 0.00 0.00 43.02 43.12 1kfy s PHE 3 CO -0.01 -0.02 0.30 -1.14 0.70 0.00 0.00 175.22 175.05 1kfy s GLN 4 N -0.45 4.22 -0.05 0.44 2.00 -1.26 -0.53 119.66 124.03 1kfy s GLN 4 Ca -0.00 0.08 -0.18 0.00 -2.00 0.00 0.00 55.36 53.26 1kfy s GLN 4 Cb -0.04 -3.46 0.04 0.00 0.80 0.00 0.00 33.01 30.34 1kfy s GLN 4 CO -0.00 0.16 0.40 0.00 -0.50 0.00 0.00 175.29 175.35 1kfy s ALA 5 N 0.72 -1.03 -0.01 1.58 0.00 -0.57 -4.95 121.76 117.50 1kfy s ALA 5 Ca 0.16 0.69 -0.11 0.00 0.00 0.00 0.00 51.96 52.70 1kfy s ALA 5 Cb -0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.83 1kfy s ALA 5 CO 0.05 -0.27 0.65 -0.44 0.00 0.00 0.00 175.76 175.75 1kfy h ASP 6 N 4.02 -0.34 -3.83 0.00 3.45 -0.72 -3.35 116.42 115.64 1kfy h ASP 6 Ca -0.29 0.01 -0.69 0.00 0.43 0.00 0.00 57.03 56.50 1kfy h ASP 6 Cb 1.17 0.09 -0.32 0.00 -0.56 0.00 0.00 39.33 39.71 1kfy h ASP 6 CO 0.37 -0.09 -0.88 -0.76 -1.57 0.00 0.00 179.24 176.31 1kfy s LEU 7 N -7.19 2.10 -0.27 1.55 1.43 -1.24 -3.53 118.68 111.53 1kfy s LEU 7 Ca -0.06 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.47 1kfy s LEU 7 Cb 0.01 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.83 1kfy s LEU 7 CO 0.18 0.22 0.04 0.00 0.23 0.00 0.00 176.35 177.02 1kfy s ALA 8 N -0.04 3.00 -0.27 4.21 0.00 -0.32 -1.61 121.76 126.73 1kfy s ALA 8 Ca -0.07 -1.34 -0.09 0.00 0.00 0.00 0.00 51.96 50.46 1kfy s ALA 8 Cb -0.15 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 1kfy s ALA 8 CO 0.05 -0.74 0.12 0.42 0.00 0.00 0.00 175.76 175.62 1kfy s ILE 9 N 1.50 4.65 -0.42 0.00 1.01 -0.88 -0.95 121.20 126.11 1kfy s ILE 9 Ca 0.04 -0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.35 1kfy s ILE 9 Cb -0.16 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.09 1kfy s ILE 9 CO 0.01 0.24 0.56 -0.69 0.00 0.00 0.00 174.94 175.06 1kfy s VAL 10 N 1.65 4.94 0.00 2.92 1.01 0.16 -1.22 120.40 129.86 1kfy s VAL 10 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1kfy s VAL 10 Cb -0.16 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1kfy s VAL 10 CO 0.06 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1kfy n GLY 11 N 5.03 2.88 1.73 4.51 0.00 0.19 -1.60 105.19 117.94 1kfy n GLY 11 Ca -0.04 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 0.74 4.85 -1.00 4.61 0.00 -1.25 -3.64 120.51 124.82 1kfy n ALA 12 Ca 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.55 1kfy n ALA 12 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.97 -1.47 0.29 0.00 0.00 -1.26 -4.35 105.19 97.41 1kfy n GLY 13 Ca 0.45 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 1.13 0.68 -0.02 0.00 -1.93 -1.14 103.07 101.72 1kfy h GLY 14 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1kfy h GLY 14 CO 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 176.54 176.42 1kfy h ALA 15 N 1.39 -0.82 -0.67 3.60 0.00 -1.91 -2.56 119.26 118.28 1kfy h ALA 15 Ca 0.34 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1kfy h ALA 15 Cb 0.23 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 18.22 1kfy h ALA 15 CO -0.20 -0.80 -0.37 0.78 0.00 0.00 0.00 179.25 178.67 1kfy h GLY 16 N -1.16 -0.15 0.99 0.00 0.00 -1.58 0.22 103.07 101.40 1kfy h GLY 16 Ca -0.08 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1kfy h GLY 16 CO 0.14 -0.19 0.10 1.41 0.00 0.00 0.00 176.54 178.00 1kfy h LEU 17 N -0.14 0.17 -1.36 3.11 3.38 -1.30 -1.62 115.31 117.55 1kfy h LEU 17 Ca 0.24 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1kfy h LEU 17 Cb 0.56 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1kfy h LEU 17 CO -0.74 0.13 0.47 -0.09 0.09 0.00 0.00 178.44 178.30 1kfy h ARG 18 N 0.21 0.77 0.07 1.13 9.65 -0.84 -1.20 114.38 124.17 1kfy h ARG 18 Ca 0.06 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1kfy h ARG 18 Cb -0.02 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.39 1kfy h ARG 18 CO -0.02 0.51 -0.04 0.00 2.80 0.00 0.00 179.97 183.22 1kfy h ALA 19 N 1.60 -0.10 -0.78 2.80 0.00 -0.72 -1.91 119.26 120.16 1kfy h ALA 19 Ca 0.30 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1kfy h ALA 19 Cb 0.19 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1kfy h ALA 19 CO -0.10 -0.34 0.51 0.00 0.00 0.00 0.00 179.25 179.32 1kfy h ALA 20 N 0.35 1.73 -0.24 0.00 0.00 -0.80 -0.63 119.26 119.68 1kfy h ALA 20 Ca -0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1kfy h ALA 20 Cb 0.45 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1kfy h ALA 20 CO 0.02 0.12 -0.64 0.82 0.00 0.00 0.00 179.25 179.56 1kfy h ILE 21 N 0.75 1.27 -0.24 0.00 2.04 -1.19 -2.00 117.51 118.14 1kfy h ILE 21 Ca 0.35 -1.83 -0.06 0.00 1.00 0.00 0.00 64.86 64.33 1kfy h ILE 21 Cb 0.38 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1kfy h ILE 21 CO -0.13 0.59 -0.10 0.00 0.00 0.00 0.00 178.15 178.51 1kfy h ALA 22 N 0.63 1.38 -0.25 1.87 0.00 -0.58 -1.40 119.26 120.90 1kfy h ALA 22 Ca -0.01 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 1kfy h ALA 22 Cb 1.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1kfy h ALA 22 CO 0.14 0.43 -0.48 0.00 0.00 0.00 0.00 179.25 179.34 1kfy h ALA 23 N 1.53 0.70 0.00 0.00 0.00 -1.02 -1.53 119.26 118.93 1kfy h ALA 23 Ca 0.07 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 1kfy h ALA 23 Cb 0.41 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1kfy h ALA 23 CO 0.02 0.67 -0.67 0.00 0.00 0.00 0.00 179.25 179.27 1kfy h ALA 24 N 0.94 0.62 0.00 0.00 0.00 -1.08 -2.23 119.26 117.51 1kfy h ALA 24 Ca 0.03 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 1kfy h ALA 24 Cb 1.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1kfy h ALA 24 CO 0.10 0.84 -0.64 1.96 0.00 0.00 0.00 179.25 181.51 1kfy h GLN 25 N 0.00 0.00 0.13 0.00 4.20 -1.21 -3.24 115.11 115.00 1kfy h GLN 25 Ca -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1kfy h GLN 25 Cb 1.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.23 1kfy h GLN 25 CO 0.09 0.26 -0.06 0.00 -0.67 0.00 0.00 178.83 178.45 1kfy h ALA 26 N 1.68 -0.18 -3.17 3.87 0.00 -1.25 -3.42 119.26 116.79 1kfy h ALA 26 Ca -0.03 -0.22 -0.63 0.00 0.00 0.00 0.00 54.91 54.02 1kfy h ALA 26 Cb 1.27 0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.72 1kfy h ALA 26 CO 0.04 -0.23 -0.57 1.21 0.00 0.00 0.00 179.25 179.70 1kfy s ASN 27 N -5.55 4.72 0.62 0.00 3.04 -0.84 -4.98 114.94 111.95 1kfy s ASN 27 Ca -0.11 -3.56 0.25 0.00 0.04 0.00 0.00 52.86 49.47 1kfy s ASN 27 Cb -0.00 -1.65 1.11 0.00 -1.54 0.00 0.00 41.25 39.16 1kfy s ASN 27 CO 0.41 -0.14 1.57 -0.65 -3.04 0.00 0.00 177.10 175.24 1kfy h PRO 28 N 5.81 0.00 -0.22 0.43 0.11 -1.81 0.95 132.00 137.26 1kfy h PRO 28 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1kfy h PRO 28 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1kfy h PRO 28 CO 0.71 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.59 1kfy n ASN 29 N -3.26 2.70 -4.73 -2.05 3.02 -1.26 -4.83 115.26 104.85 1kfy n ASN 29 Ca 0.11 -1.87 -0.32 0.00 -0.03 0.00 0.00 54.58 52.47 1kfy n ASN 29 Cb 0.99 -0.14 0.11 0.00 -0.61 0.00 0.00 39.78 40.14 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 -1.73 1.99 -0.42 5.41 0.00 0.33 -5.01 121.76 122.33 1kfy s ALA 30 Ca 0.35 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.90 1kfy s ALA 30 Cb 0.21 -3.39 0.12 0.00 0.00 0.00 0.00 23.12 20.06 1kfy s ALA 30 CO 0.30 -2.06 0.19 0.21 0.00 0.00 0.00 175.76 174.40 1kfy s LYS 31 N -4.46 1.41 -0.23 0.00 2.36 -1.26 -4.57 119.74 112.99 1kfy s LYS 31 Ca 0.67 -2.00 -0.14 0.00 -2.55 0.00 0.00 55.97 51.94 1kfy s LYS 31 Cb -0.22 -2.67 -0.04 0.00 -1.05 0.00 0.00 37.83 33.84 1kfy s LYS 31 CO 0.52 -1.09 0.34 0.42 1.55 0.00 0.00 175.35 177.09 1kfy s ILE 32 N 0.47 5.23 -0.77 5.43 1.01 -0.09 -0.05 121.20 132.43 1kfy s ILE 32 Ca 0.15 0.55 -0.15 0.00 0.00 0.00 0.00 60.65 61.21 1kfy s ILE 32 Cb -0.23 -3.67 0.20 0.00 0.01 0.00 0.00 42.46 38.77 1kfy s ILE 32 CO -0.05 0.25 0.72 0.00 0.00 0.00 0.00 174.94 175.85 1kfy s ALA 33 N 1.46 3.98 -0.53 9.38 0.00 -0.63 0.08 121.76 135.50 1kfy s ALA 33 Ca 0.15 -3.14 -0.26 0.00 0.00 0.00 0.00 51.96 48.71 1kfy s ALA 33 Cb -0.15 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.53 1kfy s ALA 33 CO 0.08 -2.24 1.02 -1.17 0.00 0.00 0.00 175.76 173.45 1kfy s LEU 34 N 0.52 3.87 0.19 0.00 2.96 -0.97 -2.06 118.68 123.19 1kfy s LEU 34 Ca 0.15 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.08 1kfy s LEU 34 Cb -0.14 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 1kfy s LEU 34 CO -0.06 -1.25 -0.00 -0.51 -1.32 0.00 0.00 176.35 173.20 1kfy s ILE 35 N 4.21 3.67 -0.28 6.68 2.07 -0.36 -1.11 121.20 136.08 1kfy s ILE 35 Ca 0.37 -1.51 -0.25 0.00 -1.41 0.00 0.00 60.65 57.84 1kfy s ILE 35 Cb -0.10 -2.87 0.13 0.00 0.13 0.00 0.00 42.46 39.75 1kfy s ILE 35 CO 0.24 -0.16 1.06 -0.55 -1.91 0.00 0.00 174.94 173.62 1kfy s SER 36 N -3.08 -0.42 0.00 4.50 0.15 -1.22 0.57 113.70 114.21 1kfy s SER 36 Ca 0.28 0.79 0.26 0.00 0.70 0.00 0.00 55.95 57.98 1kfy s SER 36 Cb -0.09 0.80 1.54 0.00 -1.71 0.00 0.00 66.02 66.56 1kfy s SER 36 CO 0.19 -0.15 1.90 2.29 1.20 0.00 0.00 173.24 178.67 1kfy n LYS 37 N 2.10 0.82 -3.90 5.44 2.85 -1.15 -0.49 118.16 123.83 1kfy n LYS 37 Ca -0.12 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.03 1kfy n LYS 37 Cb 0.56 -1.49 -0.10 0.00 -0.65 0.00 0.00 35.03 33.34 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 -2.00 0.09 0.25 0.58 -7.23 -1.26 -4.39 120.40 106.44 1kfy s VAL 38 Ca 0.39 -0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 59.55 1kfy s VAL 38 Cb 0.18 -0.36 -0.14 0.00 0.56 0.00 0.00 36.38 36.63 1kfy s VAL 38 CO 0.30 -0.39 1.29 -1.22 -0.31 0.00 0.00 175.10 174.78 1kfy n TYR 39 N 1.62 1.92 -0.24 2.82 4.01 -1.26 -4.46 117.16 121.58 1kfy n TYR 39 Ca -0.22 0.53 0.17 0.00 -0.16 0.00 0.00 57.90 58.21 1kfy n TYR 39 Cb 0.56 -2.39 0.31 0.00 -0.31 0.00 0.00 39.34 37.51 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 1.56 -0.05 0.00 -0.72 -0.02 -1.26 -0.37 135.00 134.14 1kfy n PRO 40 Ca 0.11 1.05 0.10 0.00 -2.02 0.00 0.00 63.50 62.73 1kfy n PRO 40 Cb 0.31 -1.76 0.48 0.00 -0.02 0.00 0.00 33.50 32.51 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 -4.83 0.22 -0.05 -0.52 0.00 -1.26 -2.42 117.12 108.26 1kfy n MET 41 Ca 0.22 0.11 0.12 0.00 0.00 0.00 0.00 57.70 58.16 1kfy n MET 41 Cb 0.74 -1.50 0.32 0.00 0.00 0.00 0.00 33.22 32.78 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 -1.33 2.00 -1.00 3.17 5.12 0.51 -4.78 116.66 120.35 1kfy n ARG 42 Ca 0.08 -1.48 -0.31 0.00 -1.93 0.00 0.00 57.85 54.22 1kfy n ARG 42 Cb 0.17 -1.46 0.13 0.00 -1.16 0.00 0.00 32.46 30.14 1kfy n ARG 42 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1kfy s SER 43 N -1.81 3.69 0.34 0.55 1.04 -1.01 -4.91 113.70 111.58 1kfy s SER 43 Ca 0.34 1.95 0.24 0.00 0.48 0.00 0.00 55.95 58.96 1kfy s SER 43 Cb 0.20 -2.51 1.23 0.00 0.10 0.00 0.00 66.02 65.03 1kfy s SER 43 CO 0.30 -2.58 1.74 -0.74 0.98 0.00 0.00 173.24 172.95 1kfy h HIS 44 N -1.51 0.00 0.00 5.02 2.76 -1.92 -2.98 115.15 116.52 1kfy h HIS 44 Ca -0.44 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.72 1kfy h HIS 44 Cb 1.25 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.21 1kfy h HIS 44 CO 0.53 0.00 -0.04 1.15 -1.30 0.00 0.00 177.93 178.27 1kfy h THR 45 N 0.00 0.23 0.00 6.26 2.02 -1.91 -2.39 112.91 117.12 1kfy h THR 45 Ca 0.00 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 1kfy h THR 45 Cb 0.11 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1kfy h THR 45 CO 0.00 0.04 -0.15 1.62 0.37 0.00 0.00 175.52 177.40 1kfy h VAL 46 N 0.00 1.00 0.00 3.16 3.04 -1.68 -2.79 116.25 118.98 1kfy h VAL 46 Ca -0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 1kfy h VAL 46 Cb 0.24 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1kfy h VAL 46 CO 0.01 0.15 0.00 0.00 -1.01 0.00 0.00 177.57 176.71 1kfy n ALA 47 N -2.46 2.24 -1.79 3.17 0.00 -0.90 -1.53 120.51 119.24 1kfy n ALA 47 Ca -0.02 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1kfy n ALA 47 Cb 0.23 -1.44 -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 -2.98 3.75 -0.00 0.00 0.00 -1.05 -4.86 121.76 116.62 1kfy s ALA 48 Ca 0.14 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1kfy s ALA 48 Cb 0.18 -3.64 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 1kfy s ALA 48 CO 0.49 -0.92 0.00 0.39 0.00 0.00 0.00 175.76 175.72 1kfy n GLU 49 N 2.54 2.34 0.00 0.00 1.02 -1.26 0.82 120.64 126.10 1kfy n GLU 49 Ca 0.09 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1kfy n GLU 49 Cb 0.38 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 1kfy n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kfy n GLY 50 N 2.79 -1.57 0.00 0.62 0.00 -1.26 -4.14 105.19 101.62 1kfy n GLY 50 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kfy n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfy n GLY 51 N 0.27 -1.28 2.80 -0.02 0.00 -1.26 -4.78 105.19 100.92 1kfy n GLY 51 Ca 0.00 -1.19 -0.18 0.00 0.00 0.00 0.00 46.02 44.64 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 -4.00 0.69 0.45 1.61 0.15 0.31 -4.48 113.70 108.43 1kfy s SER 52 Ca 0.00 -0.03 -0.20 0.00 0.70 0.00 0.00 55.95 56.42 1kfy s SER 52 Cb 0.00 -0.25 -0.10 0.00 -1.71 0.00 0.00 66.02 63.95 1kfy s SER 52 CO 0.00 -0.13 0.97 0.00 1.20 0.00 0.00 173.24 175.28 1kfy s ALA 53 N 1.27 3.02 -0.30 5.45 0.00 0.22 0.46 121.76 131.87 1kfy s ALA 53 Ca -0.06 0.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.10 1kfy s ALA 53 Cb -0.13 -3.16 0.19 0.00 0.00 0.00 0.00 23.12 20.02 1kfy s ALA 53 CO -0.02 -0.00 1.24 0.00 0.00 0.00 0.00 175.76 176.98 1kfy s ALA 54 N -2.24 -3.33 -0.18 0.00 0.00 0.76 -4.74 121.76 112.03 1kfy s ALA 54 Ca 0.62 1.72 -0.41 0.00 0.00 0.00 0.00 51.96 53.89 1kfy s ALA 54 Cb -0.10 -2.33 -0.18 0.00 0.00 0.00 0.00 23.12 20.51 1kfy s ALA 54 CO 0.17 -1.08 1.43 0.28 0.00 0.00 0.00 175.76 176.57 1kfy n VAL 55 N 4.78 0.07 0.06 0.00 0.31 -1.26 -4.68 118.33 117.61 1kfy n VAL 55 Ca -0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1kfy n VAL 55 Cb 0.55 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 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 3.29 3.00 -1.77 3.52 0.00 -1.26 -4.64 120.51 122.64 1kfy n ALA 56 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.31 1kfy n ALA 56 Cb 0.08 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.83 3.49 0.48 0.00 -0.21 -1.26 -4.88 119.66 115.45 1kfy s GLN 57 Ca 0.00 1.79 0.28 0.00 0.02 0.00 0.00 55.36 57.44 1kfy s GLN 57 Cb 0.00 -2.23 0.91 0.00 1.00 0.00 0.00 33.01 32.69 1kfy s GLN 57 CO 0.00 -0.77 1.81 0.22 -2.12 0.00 0.00 175.29 174.43 1kfy h ASP 58 N 1.63 0.00 0.00 5.90 1.82 -2.02 -2.93 116.42 120.82 1kfy h ASP 58 Ca -0.50 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 1kfy h ASP 58 Cb 1.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1kfy h ASP 58 CO 0.58 0.08 0.00 0.00 -1.61 0.00 0.00 179.24 178.29 1kfy n HIS 59 N -3.16 0.00 -4.53 0.28 1.44 -1.26 -4.63 115.22 103.35 1kfy n HIS 59 Ca 0.02 -0.33 -0.25 0.00 -2.01 0.00 0.00 57.72 55.15 1kfy n HIS 59 Cb 0.42 -0.20 -0.09 0.00 0.12 0.00 0.00 29.99 30.25 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 0.67 2.84 -0.07 4.39 3.68 -1.11 -5.08 116.67 121.99 1kfy s ASP 60 Ca 0.00 -1.58 -0.30 0.00 2.13 0.00 0.00 52.55 52.79 1kfy s ASP 60 Cb 0.00 0.33 0.07 0.00 -1.45 0.00 0.00 42.92 41.87 1kfy s ASP 60 CO 0.00 -0.82 0.70 -0.94 0.13 0.00 0.00 175.17 174.24 1kfy s SER 61 N -3.61 -0.65 0.58 -0.34 1.04 -1.26 -4.99 113.70 104.47 1kfy s SER 61 Ca 0.25 0.77 0.28 0.00 0.48 0.00 0.00 55.95 57.73 1kfy s SER 61 Cb 0.04 0.61 1.56 0.00 0.10 0.00 0.00 66.02 68.33 1kfy s SER 61 CO 0.13 -0.57 2.01 -0.26 0.98 0.00 0.00 173.24 175.54 1kfy h PHE 62 N 3.15 0.00 -0.14 5.02 -1.00 -1.99 0.14 116.94 122.12 1kfy h PHE 62 Ca -0.27 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.50 1kfy h PHE 62 Cb 1.14 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.70 1kfy h PHE 62 CO 0.38 0.00 0.05 1.49 -1.61 0.00 0.00 178.31 178.61 1kfy h GLU 63 N 0.00 0.21 0.05 1.51 4.57 -1.97 0.17 114.58 119.13 1kfy h GLU 63 Ca 0.15 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1kfy h GLU 63 Cb 0.80 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 1kfy h GLU 63 CO -0.00 0.34 -0.15 1.88 -1.18 0.00 0.00 179.01 179.89 1kfy h TYR 64 N 0.05 -0.40 0.00 0.92 0.05 -1.36 0.33 116.97 116.56 1kfy h TYR 64 Ca 0.05 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 1kfy h TYR 64 Cb 0.21 0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.12 1kfy h TYR 64 CO -0.00 -0.23 -0.14 1.25 -1.05 0.00 0.00 178.16 177.98 1kfy h HIS 65 N -0.28 0.00 -0.07 4.88 2.76 -1.42 -0.68 115.15 120.34 1kfy h HIS 65 Ca 0.03 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1kfy h HIS 65 Cb 0.32 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 1kfy h HIS 65 CO -0.18 0.14 -0.00 0.35 -1.30 0.00 0.00 177.93 176.94 1kfy h PHE 66 N 0.00 0.14 -0.16 5.26 3.57 0.65 -2.26 116.94 124.14 1kfy h PHE 66 Ca -0.00 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1kfy h PHE 66 Cb 0.26 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1kfy h PHE 66 CO 0.00 0.42 0.07 1.25 -2.23 0.00 0.00 178.31 177.82 1kfy h HIS 67 N -0.17 0.14 -0.92 0.41 2.76 0.28 -2.07 115.15 115.57 1kfy h HIS 67 Ca 0.02 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1kfy h HIS 67 Cb 0.36 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.23 1kfy h HIS 67 CO 0.04 0.08 0.61 -0.44 -1.30 0.00 0.00 177.93 176.92 1kfy h ASP 68 N 0.16 1.00 -0.31 3.26 3.45 -1.14 0.61 116.42 123.46 1kfy h ASP 68 Ca 0.06 -0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.46 1kfy h ASP 68 Cb 0.01 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.54 1kfy h ASP 68 CO -0.04 0.68 0.00 0.74 -1.57 0.00 0.00 179.24 179.05 1kfy h THR 69 N 1.15 1.26 0.15 0.35 2.02 -1.08 -1.42 112.91 115.34 1kfy h THR 69 Ca 0.37 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1kfy h THR 69 Cb 0.02 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1kfy h THR 69 CO -0.11 0.30 -0.07 0.58 0.37 0.00 0.00 175.52 176.59 1kfy h VAL 70 N 0.34 0.99 0.21 3.16 2.07 -1.03 -1.83 116.25 120.17 1kfy h VAL 70 Ca 0.09 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1kfy h VAL 70 Cb 0.43 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1kfy h VAL 70 CO 0.02 0.16 -0.48 0.00 0.02 0.00 0.00 177.57 177.29 1kfy h ALA 71 N 0.22 -0.93 -0.13 1.67 0.00 -0.95 -1.67 119.26 117.46 1kfy h ALA 71 Ca -0.02 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1kfy h ALA 71 Cb 0.42 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1kfy h ALA 71 CO 0.03 -1.09 0.14 0.78 0.00 0.00 0.00 179.25 179.11 1kfy h GLY 72 N -0.78 0.00 0.27 0.00 0.00 -1.32 0.56 103.07 101.81 1kfy h GLY 72 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1kfy h GLY 72 CO -0.22 0.00 -0.04 0.61 0.00 0.00 0.00 176.54 176.89 1kfy n GLY 73 N -1.39 -0.52 3.61 4.60 0.00 -0.69 -3.84 105.19 106.97 1kfy n GLY 73 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.44 -2.17 -1.21 1.61 10.43 0.19 -0.42 116.55 124.53 1kfy n ASP 74 Ca 0.19 -0.72 -0.11 0.00 2.57 0.00 0.00 54.79 56.71 1kfy n ASP 74 Cb 0.27 -4.52 -0.05 0.00 1.84 0.00 0.00 41.12 38.66 1kfy n ASP 74 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1kfy n TRP 75 N -4.31 -0.33 -0.52 1.24 8.01 -0.85 -4.79 117.44 115.89 1kfy n TRP 75 Ca -0.25 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.02 1kfy n TRP 75 Cb 0.65 -2.41 0.34 0.00 -2.01 0.00 0.00 31.31 27.89 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 -1.63 4.73 -4.74 -0.99 4.77 -1.13 -4.93 117.00 113.09 1kfy n LEU 76 Ca -0.11 -2.39 -0.37 0.00 -0.03 0.00 0.00 56.01 53.10 1kfy n LEU 76 Cb 0.41 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.84 1kfy n LEU 76 CO 0.17 0.69 0.03 0.00 -1.33 0.00 0.00 177.39 176.96 1kfy n GLU 78 N 3.43 2.18 -0.49 0.00 -0.58 -0.66 -4.74 120.64 119.77 1kfy n GLU 78 Ca -0.11 -2.69 0.37 0.00 -0.42 0.00 0.00 57.16 54.32 1kfy n GLU 78 Cb 0.52 -3.56 0.58 0.00 -0.57 0.00 0.00 31.44 28.41 1kfy n GLU 78 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1kfy n GLN 79 N 8.09 -0.00 -0.20 3.49 6.02 -1.13 0.70 117.38 134.35 1kfy n GLN 79 Ca 0.47 0.81 -0.09 0.00 -0.01 0.00 0.00 57.00 58.18 1kfy n GLN 79 Cb 0.45 -1.82 0.02 0.00 1.02 0.00 0.00 30.24 29.91 1kfy n GLN 79 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1kfy h ASP 80 N 0.00 0.90 -0.10 1.08 2.03 -1.88 -1.78 116.42 116.67 1kfy h ASP 80 Ca 0.68 -0.27 -0.00 0.00 -0.73 0.00 0.00 57.03 56.71 1kfy h ASP 80 Cb 2.64 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 40.89 1kfy h ASP 80 CO -0.07 0.94 0.06 0.58 -1.03 0.00 0.00 179.24 179.72 1kfy h VAL 81 N 0.82 1.09 -0.56 4.15 2.07 -0.04 -2.39 116.25 121.39 1kfy h VAL 81 Ca 0.17 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1kfy h VAL 81 Cb 0.44 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1kfy h VAL 81 CO 0.01 0.08 0.37 0.58 0.02 0.00 0.00 177.57 178.63 1kfy h VAL 82 N 0.07 1.01 -0.19 2.57 2.07 -1.46 -1.29 116.25 119.03 1kfy h VAL 82 Ca 0.04 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1kfy h VAL 82 Cb 0.08 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1kfy h VAL 82 CO -0.01 0.10 0.07 -0.78 0.02 0.00 0.00 177.57 176.97 1kfy h ASP 83 N 0.56 0.27 -0.70 0.57 3.58 -0.81 -1.77 116.42 118.12 1kfy h ASP 83 Ca 0.24 -0.18 -0.06 0.00 0.42 0.00 0.00 57.03 57.45 1kfy h ASP 83 Cb 0.23 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 1kfy h ASP 83 CO -0.07 0.38 0.22 0.22 -2.88 0.00 0.00 179.24 177.11 1kfy h TYR 84 N 0.14 1.13 0.25 0.28 3.20 -1.17 -2.86 116.97 117.93 1kfy h TYR 84 Ca 0.06 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1kfy h TYR 84 Cb 0.20 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1kfy h TYR 84 CO -0.01 0.90 -0.18 0.35 -1.64 0.00 0.00 178.16 177.59 1kfy h PHE 85 N 1.03 -0.48 -0.69 -3.82 3.57 -1.04 -2.05 116.94 113.46 1kfy h PHE 85 Ca 0.22 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.92 1kfy h PHE 85 Cb 0.31 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1kfy h PHE 85 CO 0.02 -0.25 0.53 -0.39 -2.23 0.00 0.00 178.31 176.00 1kfy h VAL 86 N -0.40 0.56 0.00 1.41 -1.51 -1.38 -0.92 116.25 114.01 1kfy h VAL 86 Ca -0.03 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.39 1kfy h VAL 86 Cb 0.33 0.62 -0.01 0.00 -2.13 0.00 0.00 31.29 30.10 1kfy h VAL 86 CO 0.02 0.00 -0.22 0.45 -1.23 0.00 0.00 177.57 176.58 1kfy h HIS 87 N 0.00 0.00 -0.33 5.19 3.86 -1.32 -3.31 115.15 119.24 1kfy h HIS 87 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1kfy h HIS 87 Cb 1.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.86 1kfy h HIS 87 CO 0.00 0.22 0.00 0.72 0.86 0.00 0.00 177.93 179.73 1kfy n HIS 88 N -3.17 0.60 0.07 2.45 8.25 -0.38 -4.69 115.22 118.35 1kfy n HIS 88 Ca 0.03 -0.60 -0.04 0.00 -0.26 0.00 0.00 57.72 56.85 1kfy n HIS 88 Cb 0.60 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.90 0.10 0.41 0.00 0.13 -1.82 -0.50 132.00 129.41 1kfy h PRO 90 Ca -0.03 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1kfy h PRO 90 Cb 0.19 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.30 1kfy h PRO 90 CO 0.04 0.07 -0.20 1.15 -0.23 0.00 0.00 178.00 178.84 1kfy h THR 91 N 0.11 0.46 -0.86 1.56 2.02 -1.86 -2.39 112.91 111.95 1kfy h THR 91 Ca 0.57 -0.57 0.04 0.00 0.77 0.00 0.00 66.41 67.23 1kfy h THR 91 Cb 2.05 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 69.09 1kfy h THR 91 CO -0.10 0.08 0.57 -0.33 0.37 0.00 0.00 175.52 176.11 1kfy h GLU 92 N -0.93 1.02 -0.35 6.66 4.39 -1.04 0.17 114.58 124.50 1kfy h GLU 92 Ca -0.06 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.47 1kfy h GLU 92 Cb 0.55 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1kfy h GLU 92 CO 0.09 0.67 -0.22 0.52 -1.16 0.00 0.00 179.01 178.92 1kfy h MET 93 N 1.05 0.77 -0.85 2.33 2.86 -1.44 -1.11 114.93 118.55 1kfy h MET 93 Ca 0.35 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1kfy h MET 93 Cb 0.07 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 1kfy h MET 93 CO -0.11 0.98 0.43 1.15 1.06 0.00 0.00 176.91 180.42 1kfy h THR 94 N 0.56 1.25 -0.92 2.22 2.02 -1.05 -1.98 112.91 115.02 1kfy h THR 94 Ca 0.07 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 1kfy h THR 94 Cb 0.77 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1kfy h THR 94 CO 0.06 0.30 0.54 -0.61 0.37 0.00 0.00 175.52 176.18 1kfy h GLN 95 N 1.20 1.25 -0.44 6.66 5.75 -0.37 -1.68 115.11 127.48 1kfy h GLN 95 Ca 0.29 -0.12 -0.08 0.00 -0.15 0.00 0.00 58.65 58.60 1kfy h GLN 95 Cb 0.08 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 1kfy h GLN 95 CO -0.04 0.88 -0.04 -0.07 -2.65 0.00 0.00 178.83 176.91 1kfy h LEU 96 N 1.27 0.71 -1.16 -2.39 3.38 -0.69 -1.28 115.31 115.16 1kfy h LEU 96 Ca 0.33 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1kfy h LEU 96 Cb -0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1kfy h LEU 96 CO -0.06 0.81 0.39 -0.08 0.09 0.00 0.00 178.44 179.59 1kfy h GLU 97 N 0.69 0.98 -0.08 1.13 4.22 -0.63 -1.41 114.58 119.46 1kfy h GLU 97 Ca 0.13 -0.10 -0.11 0.00 0.08 0.00 0.00 59.36 59.36 1kfy h GLU 97 Cb 0.48 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1kfy h GLU 97 CO 0.02 0.71 -0.44 -0.07 -2.18 0.00 0.00 179.01 177.05 1kfy h LEU 98 N 0.99 0.21 -0.58 1.64 3.38 -0.81 -2.37 115.31 117.76 1kfy h LEU 98 Ca 0.25 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1kfy h LEU 98 Cb 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1kfy h LEU 98 CO -0.04 0.63 0.00 0.79 0.09 0.00 0.00 178.44 179.91 1kfy n TRP 99 N -4.00 0.20 0.00 1.13 8.01 -0.53 -4.92 117.44 117.33 1kfy n TRP 99 Ca -0.02 -0.10 0.00 0.00 -1.31 0.00 0.00 57.50 56.07 1kfy n TRP 99 Cb 0.50 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.80 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 0.78 2.29 2.85 6.99 0.00 -0.89 -4.83 105.19 112.38 1kfy n GLY 100 Ca 0.06 -0.28 -0.51 0.00 0.00 0.00 0.00 46.02 45.30 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 1.85 4.01 0.47 0.00 0.04 -1.26 -4.51 135.00 135.60 1kfy s PRO 102 Ca 0.79 -2.32 -0.23 0.00 0.04 0.00 0.00 61.00 59.28 1kfy s PRO 102 Cb -1.12 -5.20 -0.07 0.00 0.04 0.00 0.00 34.50 28.15 1kfy s PRO 102 CO 0.59 -1.92 1.20 -1.58 0.04 0.00 0.00 177.00 175.34 1kfy s TRP 103 N 2.51 2.79 0.66 0.56 0.52 -1.26 -4.57 118.94 120.15 1kfy s TRP 103 Ca 0.45 1.50 -0.17 0.00 0.02 0.00 0.00 56.10 57.91 1kfy s TRP 103 Cb -0.01 -3.46 0.00 0.00 -1.15 0.00 0.00 33.47 28.85 1kfy s TRP 103 CO 0.01 -1.75 1.21 -1.12 0.02 0.00 0.00 176.95 175.32 1kfy s SER 104 N -1.25 4.69 0.26 2.95 0.01 0.85 -4.91 113.70 116.31 1kfy s SER 104 Ca 0.64 2.38 0.08 0.00 1.31 0.00 0.00 55.95 60.36 1kfy s SER 104 Cb -0.31 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.27 1kfy s SER 104 CO 0.38 -1.93 -0.12 -0.13 0.41 0.00 0.00 173.24 171.85 1kfy s ARG 105 N -3.64 1.54 0.62 12.44 1.81 -1.26 -2.22 118.95 128.24 1kfy s ARG 105 Ca 0.76 -1.74 -0.09 0.00 -1.72 0.00 0.00 55.73 52.94 1kfy s ARG 105 Cb -0.30 -1.34 -0.01 0.00 -0.45 0.00 0.00 34.95 32.85 1kfy s ARG 105 CO 0.40 0.16 0.99 1.03 -0.68 0.00 0.00 175.30 177.20 1kfy s ARG 106 N -3.64 3.23 0.40 3.54 0.52 0.12 -4.69 118.95 118.43 1kfy s ARG 106 Ca 0.28 0.44 0.13 0.00 -0.52 0.00 0.00 55.73 56.06 1kfy s ARG 106 Cb 0.00 -2.14 0.97 0.00 0.52 0.00 0.00 34.95 34.31 1kfy s ARG 106 CO 0.11 -0.69 1.91 -1.35 0.02 0.00 0.00 175.30 175.30 1kfy h PRO 107 N -0.33 0.49 -0.13 3.54 0.11 -2.01 -0.38 132.00 133.30 1kfy h PRO 107 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1kfy h PRO 107 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1kfy h PRO 107 CO 0.62 0.33 0.00 -0.40 -0.21 0.00 0.00 178.00 178.34 1kfy n ASP 108 N -4.50 0.13 0.00 -2.05 5.75 -1.26 -4.85 116.55 109.77 1kfy n ASP 108 Ca 0.15 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 1kfy n ASP 108 Cb 0.49 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1kfy n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kfy n GLY 109 N 0.33 1.13 3.89 6.12 0.00 -0.15 -5.03 105.19 111.48 1kfy n GLY 109 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.09 5.93 0.30 1.61 1.04 -1.26 -4.77 113.70 113.47 1kfy s SER 110 Ca 0.00 1.13 -0.28 0.00 0.48 0.00 0.00 55.95 57.28 1kfy s SER 110 Cb 0.00 -2.16 -0.09 0.00 0.10 0.00 0.00 66.02 63.87 1kfy s SER 110 CO 0.00 -0.96 1.07 -0.69 0.98 0.00 0.00 173.24 173.64 1kfy s VAL 111 N -3.11 3.58 0.28 5.02 1.01 -1.26 0.14 120.40 126.07 1kfy s VAL 111 Ca 0.54 1.51 0.03 0.00 0.00 0.00 0.00 61.98 64.06 1kfy s VAL 111 Cb -0.11 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1kfy s VAL 111 CO 0.50 0.29 0.44 0.21 0.00 0.00 0.00 175.10 176.55 1kfy s ASN 112 N -1.06 6.31 0.02 3.32 2.47 -0.94 -4.64 114.94 120.43 1kfy s ASN 112 Ca 0.47 0.25 -0.00 0.00 0.42 0.00 0.00 52.86 54.00 1kfy s ASN 112 Cb -0.29 -1.94 -0.02 0.00 -1.45 0.00 0.00 41.25 37.55 1kfy s ASN 112 CO 0.37 -0.16 -0.03 0.68 -3.72 0.00 0.00 177.10 174.24 1kfy s VAL 113 N -2.12 0.12 0.31 -5.21 -7.23 -1.25 -4.21 120.40 100.81 1kfy s VAL 113 Ca 0.37 -1.01 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 1kfy s VAL 113 Cb -0.09 -0.39 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 1kfy s VAL 113 CO 0.32 -0.55 0.15 0.00 -0.31 0.00 0.00 175.10 174.71 1kfy s ARG 114 N -1.72 1.61 0.04 4.82 1.70 -0.93 -4.84 118.95 119.63 1kfy s ARG 114 Ca -0.14 -1.92 -0.19 0.00 -0.47 0.00 0.00 55.73 53.01 1kfy s ARG 114 Cb -0.08 -0.15 -0.06 0.00 -0.57 0.00 0.00 34.95 34.08 1kfy s ARG 114 CO -0.02 -0.44 0.55 0.50 -1.08 0.00 0.00 175.30 174.81 1kfy s ARG 115 N -3.82 4.19 0.20 3.89 3.52 -1.26 -2.48 118.95 123.19 1kfy s ARG 115 Ca 0.35 0.68 -0.13 0.00 -0.13 0.00 0.00 55.73 56.50 1kfy s ARG 115 Cb 0.05 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 30.18 1kfy s ARG 115 CO 0.17 0.58 0.42 -0.06 -0.81 0.00 0.00 175.30 175.60 1kfy s PHE 116 N -0.88 0.20 -1.19 5.12 0.40 -1.26 -4.93 117.98 115.44 1kfy s PHE 116 Ca 0.28 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 1kfy s PHE 116 Cb -0.19 0.16 0.00 0.00 0.51 0.00 0.00 43.02 43.51 1kfy s PHE 116 CO 0.18 -0.86 0.00 0.41 0.70 0.00 0.00 175.22 175.65 1kfy n GLY 117 N -0.30 0.66 2.80 4.36 0.00 -1.26 -2.08 105.19 109.37 1kfy n GLY 117 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.39 2.85 2.02 -0.02 0.00 -1.26 -4.46 105.19 103.93 1kfy n GLY 118 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.80 0.00 -0.05 1.61 2.81 -0.89 -4.87 117.12 114.94 1kfy n MET 119 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.78 1kfy n MET 119 Cb 0.00 -0.85 -0.05 0.00 -0.71 0.00 0.00 33.22 31.61 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 1.98 0.28 -4.90 0.03 3.64 -1.94 -3.41 116.57 112.25 1kfy h LYS 120 Ca -0.28 -0.06 -0.64 0.00 -1.27 0.00 0.00 60.65 58.40 1kfy h LYS 120 Cb 0.80 -0.04 -0.17 0.00 -0.41 0.00 0.00 32.23 32.41 1kfy h LYS 120 CO 0.41 0.40 -0.53 0.42 -2.27 0.00 0.00 179.45 177.89 1kfy s ILE 121 N -5.36 5.24 -0.19 2.00 -1.09 -1.26 -5.04 121.20 115.51 1kfy s ILE 121 Ca -0.14 0.13 -0.29 0.00 -2.23 0.00 0.00 60.65 58.12 1kfy s ILE 121 Cb 0.07 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1kfy s ILE 121 CO 0.71 0.25 1.70 -1.83 -1.23 0.00 0.00 174.94 174.54 1kfy s GLU 122 N 1.75 3.80 -0.15 2.79 1.03 -1.26 -4.82 118.70 121.83 1kfy s GLU 122 Ca 0.07 1.81 0.19 0.00 0.03 0.00 0.00 54.97 57.08 1kfy s GLU 122 Cb -0.16 -4.07 0.45 0.00 -0.80 0.00 0.00 34.13 29.55 1kfy s GLU 122 CO 0.10 -1.30 1.17 2.89 -1.33 0.00 0.00 175.26 176.79 1kfy n ARG 123 N 7.70 1.30 -3.58 -4.83 1.85 -1.25 -4.71 116.66 113.13 1kfy n ARG 123 Ca 0.20 -2.98 -0.36 0.00 -1.00 0.00 0.00 57.85 53.71 1kfy n ARG 123 Cb 0.45 -1.08 -0.07 0.00 -1.05 0.00 0.00 32.46 30.70 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 -2.33 5.32 -0.13 8.89 2.01 -1.03 -0.17 115.64 128.21 1kfy s THR 124 Ca 0.35 0.48 -0.14 0.00 0.31 0.00 0.00 61.69 62.70 1kfy s THR 124 Cb 0.37 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 1kfy s THR 124 CO -0.09 0.41 0.31 0.26 -0.69 0.00 0.00 174.62 174.83 1kfy s TRP 125 N 0.34 3.52 -0.01 4.92 0.52 0.17 -2.20 118.94 126.21 1kfy s TRP 125 Ca 0.15 0.67 -0.02 0.00 0.02 0.00 0.00 56.10 56.92 1kfy s TRP 125 Cb -0.13 -2.31 -0.00 0.00 -1.15 0.00 0.00 33.47 29.88 1kfy s TRP 125 CO 0.03 0.35 0.04 -0.59 0.02 0.00 0.00 176.95 176.80 1kfy s PHE 126 N 0.09 0.04 -0.74 -1.98 -0.00 -1.26 -0.53 117.98 113.60 1kfy s PHE 126 Ca 0.18 -0.08 0.03 0.00 -0.00 0.00 0.00 56.93 57.06 1kfy s PHE 126 Cb -0.14 -0.05 0.18 0.00 -0.00 0.00 0.00 43.02 43.02 1kfy s PHE 126 CO 0.06 -0.10 0.55 0.00 -0.00 0.00 0.00 175.22 175.73 1kfy s ALA 127 N -0.55 3.89 0.00 1.99 0.00 -1.26 -0.11 121.76 125.72 1kfy s ALA 127 Ca -0.06 -3.77 0.00 0.00 0.00 0.00 0.00 51.96 48.13 1kfy s ALA 127 Cb -0.04 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1kfy s ALA 127 CO -0.00 -2.11 0.00 0.00 0.00 0.00 0.00 175.76 173.65 1kfy n ALA 128 N 2.24 0.00 -1.63 0.00 0.00 -1.26 -2.09 120.51 117.78 1kfy n ALA 128 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 1kfy n ALA 128 Cb 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.76 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 -3.55 6.84 0.00 0.00 3.85 -1.26 -3.24 116.55 119.19 1kfy n ASP 129 Ca 0.00 -3.22 0.00 0.00 -0.71 0.00 0.00 54.79 50.86 1kfy n ASP 129 Cb 0.00 -1.25 0.00 0.00 -1.35 0.00 0.00 41.12 38.52 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 0.98 0.05 -0.15 0.11 5.02 -1.03 -4.74 118.16 118.41 1kfy n LYS 130 Ca 0.52 -0.03 0.07 0.00 -2.02 0.00 0.00 58.31 56.85 1kfy n LYS 130 Cb 0.47 -0.44 0.14 0.00 -0.02 0.00 0.00 35.03 35.19 1kfy n LYS 130 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1kfy n THR 131 N -0.02 -0.18 -0.05 -0.18 -1.04 -0.89 0.12 114.28 112.05 1kfy n THR 131 Ca 0.00 0.92 -0.10 0.00 -2.04 0.00 0.00 64.05 62.83 1kfy n THR 131 Cb 0.18 -1.37 -0.04 0.00 -1.82 0.00 0.00 70.33 67.28 1kfy n THR 131 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1kfy h GLY 132 N 0.00 0.31 0.32 3.41 0.00 0.24 -2.41 103.07 104.94 1kfy h GLY 132 Ca 0.27 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.47 1kfy h GLY 132 CO -0.39 0.14 -0.41 -2.75 0.00 0.00 0.00 176.54 173.13 1kfy h PHE 133 N 0.20 -1.14 0.00 5.60 3.57 0.21 -1.64 116.94 123.73 1kfy h PHE 133 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1kfy h PHE 133 Cb 0.11 0.48 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1kfy h PHE 133 CO -0.03 -0.52 0.00 0.72 -2.23 0.00 0.00 178.31 176.26 1kfy n HIS 134 N -5.46 0.66 -0.13 0.41 8.25 -0.87 -1.30 115.22 116.77 1kfy n HIS 134 Ca -0.07 0.34 -0.26 0.00 -0.26 0.00 0.00 57.72 57.47 1kfy n HIS 134 Cb 0.38 -1.05 -0.10 0.00 1.12 0.00 0.00 29.99 30.35 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 -2.18 0.57 -0.28 -0.41 2.81 -0.91 -2.98 117.12 113.75 1kfy n MET 135 Ca -0.01 0.34 0.13 0.00 -1.81 0.00 0.00 57.70 56.35 1kfy n MET 135 Cb 0.03 -1.55 0.39 0.00 -0.71 0.00 0.00 33.22 31.39 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 0.63 -0.02 4.03 5.85 -1.15 0.11 115.31 123.76 1kfy h LEU 136 Ca -0.55 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.04 1kfy h LEU 136 Cb 1.46 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 42.43 1kfy h LEU 136 CO -0.33 0.30 -0.69 0.45 -0.34 0.00 0.00 178.44 177.83 1kfy h HIS 137 N 0.66 0.74 0.23 1.25 3.86 -1.39 -1.08 115.15 119.41 1kfy h HIS 137 Ca 0.47 -0.39 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1kfy h HIS 137 Cb 0.81 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 1kfy h HIS 137 CO -0.00 1.20 -0.20 1.15 0.86 0.00 0.00 177.93 180.94 1kfy h THR 138 N 0.07 0.57 0.12 2.45 2.02 -1.18 -1.10 112.91 115.85 1kfy h THR 138 Ca -0.08 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1kfy h THR 138 Cb 1.37 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1kfy h THR 138 CO 0.14 0.00 -0.17 -0.07 0.37 0.00 0.00 175.52 175.78 1kfy h LEU 139 N -0.45 -0.50 -0.92 2.58 3.38 -0.87 0.36 115.31 118.89 1kfy h LEU 139 Ca -0.01 0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.23 1kfy h LEU 139 Cb 0.41 0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.16 1kfy h LEU 139 CO -0.03 -0.21 -0.06 0.15 0.09 0.00 0.00 178.44 178.38 1kfy h PHE 140 N -0.31 -0.20 -0.30 1.13 3.57 -1.20 0.28 116.94 119.92 1kfy h PHE 140 Ca -0.01 0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 1kfy h PHE 140 Cb 0.28 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1kfy h PHE 140 CO -0.22 -0.38 -0.15 1.96 -2.23 0.00 0.00 178.31 177.29 1kfy h GLN 141 N 0.03 0.63 -0.01 1.11 4.20 -0.87 -2.78 115.11 117.42 1kfy h GLN 141 Ca 0.51 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 1kfy h GLN 141 Cb 0.93 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 1kfy h GLN 141 CO -0.88 0.86 -0.15 1.15 -0.67 0.00 0.00 178.83 179.15 1kfy h THR 142 N 0.38 1.11 0.00 -0.54 2.02 0.13 -1.12 112.91 114.90 1kfy h THR 142 Ca 0.07 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1kfy h THR 142 Cb 0.68 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1kfy h THR 142 CO 0.05 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 174.55 1kfy n SER 143 N -4.36 0.00 0.21 4.18 3.41 0.82 -2.93 113.62 114.96 1kfy n SER 143 Ca -0.02 0.43 0.11 0.00 -0.26 0.00 0.00 58.87 59.12 1kfy n SER 143 Cb 0.22 -0.46 0.27 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.37 1.04 3.38 -1.16 -3.21 115.31 114.98 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 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1kfy h LEU 144 CO 0.00 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1kfy n GLN 145 N -3.16 1.25 -3.62 1.13 10.64 -1.15 -4.65 117.38 117.82 1kfy n GLN 145 Ca 0.02 -0.37 -0.40 0.00 -1.83 0.00 0.00 57.00 54.43 1kfy n GLN 145 Cb 0.52 -1.41 -0.10 0.00 -0.86 0.00 0.00 30.24 28.39 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 -1.96 3.39 0.57 2.61 0.40 -1.22 -4.94 117.98 116.84 1kfy s PHE 146 Ca 0.37 -1.76 0.30 0.00 -0.60 0.00 0.00 56.93 55.25 1kfy s PHE 146 Cb 0.18 -3.14 1.81 0.00 0.51 0.00 0.00 43.02 42.38 1kfy s PHE 146 CO 0.30 -0.91 2.24 -1.35 0.70 0.00 0.00 175.22 176.20 1kfy h PRO 147 N 8.37 0.00 -0.15 0.24 0.11 -1.89 -1.49 132.00 137.18 1kfy h PRO 147 Ca -0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 1kfy h PRO 147 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1kfy h PRO 147 CO 0.78 0.02 0.04 1.96 -0.21 0.00 0.00 178.00 180.58 1kfy h GLN 148 N 0.00 0.21 -6.26 1.05 7.50 -1.88 -3.39 115.11 112.34 1kfy h GLN 148 Ca -0.00 -0.02 -0.58 0.00 0.50 0.00 0.00 58.65 58.55 1kfy h GLN 148 Cb 0.04 -0.04 -0.10 0.00 0.05 0.00 0.00 27.48 27.43 1kfy h GLN 148 CO 0.00 0.20 0.75 0.42 -1.50 0.00 0.00 178.83 178.70 1kfy s ILE 149 N -5.09 4.26 -0.46 2.54 1.01 -0.56 -0.91 121.20 121.99 1kfy s ILE 149 Ca -0.06 0.70 -0.11 0.00 0.00 0.00 0.00 60.65 61.19 1kfy s ILE 149 Cb 0.17 -4.58 0.10 0.00 0.01 0.00 0.00 42.46 38.15 1kfy s ILE 149 CO 0.70 -1.11 0.34 -1.58 0.00 0.00 0.00 174.94 173.29 1kfy s GLN 150 N 4.29 2.64 0.43 2.79 2.00 0.11 -4.96 119.66 126.96 1kfy s GLN 150 Ca 0.38 -1.61 -0.22 0.00 -2.00 0.00 0.00 55.36 51.91 1kfy s GLN 150 Cb -0.10 -3.94 -0.09 0.00 0.80 0.00 0.00 33.01 29.68 1kfy s GLN 150 CO 0.24 -1.11 1.03 1.03 -0.50 0.00 0.00 175.29 175.98 1kfy s ARG 151 N 1.44 4.07 -0.57 1.67 0.52 -1.26 -2.28 118.95 122.54 1kfy s ARG 151 Ca 0.04 1.41 0.06 0.00 -0.52 0.00 0.00 55.73 56.72 1kfy s ARG 151 Cb -0.25 -2.36 0.28 0.00 0.52 0.00 0.00 34.95 33.14 1kfy s ARG 151 CO 0.01 -0.21 0.77 1.19 0.02 0.00 0.00 175.30 177.09 1kfy n PHE 152 N -0.41 3.01 -1.73 -0.53 3.01 -0.27 -4.92 117.46 115.63 1kfy n PHE 152 Ca 0.07 -4.01 -0.40 0.00 1.01 0.00 0.00 57.45 54.11 1kfy n PHE 152 Cb 0.51 -0.50 0.02 0.00 -0.01 0.00 0.00 39.48 39.49 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 0.57 2.85 -3.68 4.37 8.00 -1.26 -3.21 116.55 124.19 1kfy n ASP 153 Ca 0.29 1.10 -0.30 0.00 0.71 0.00 0.00 54.79 56.58 1kfy n ASP 153 Cb 0.44 -1.55 0.04 0.00 -0.02 0.00 0.00 41.12 40.03 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 -0.14 -1.17 -3.88 -1.24 1.02 0.36 -4.89 120.64 110.70 1kfy n GLU 154 Ca 0.06 0.51 -0.27 0.00 -0.02 0.00 0.00 57.16 57.44 1kfy n GLU 154 Cb 0.41 -3.98 -0.17 0.00 -0.02 0.00 0.00 31.44 27.69 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 -3.41 1.49 -0.71 -0.32 3.76 -0.54 -2.39 115.29 113.16 1kfy s HIS 155 Ca 0.42 -0.85 -0.21 0.00 -0.15 0.00 0.00 55.06 54.28 1kfy s HIS 155 Cb -0.16 -1.22 0.10 0.00 1.11 0.00 0.00 32.58 32.41 1kfy s HIS 155 CO 0.87 -0.55 0.93 0.12 -0.85 0.00 0.00 174.74 175.26 1kfy s PHE 156 N 1.71 2.89 -0.07 1.40 2.19 -0.68 -2.92 117.98 122.49 1kfy s PHE 156 Ca 0.03 -0.89 -0.32 0.00 0.33 0.00 0.00 56.93 56.08 1kfy s PHE 156 Cb -0.14 -4.21 -0.10 0.00 -1.31 0.00 0.00 43.02 37.26 1kfy s PHE 156 CO -0.08 -1.51 1.99 0.28 1.83 0.00 0.00 175.22 177.73 1kfy n VAL 157 N 5.68 0.61 0.03 3.12 0.31 -1.26 -1.19 118.33 125.63 1kfy n VAL 157 Ca 0.02 -0.18 -0.18 0.00 -0.01 0.00 0.00 64.34 63.99 1kfy n VAL 157 Cb 0.46 -2.14 -0.14 0.00 -0.91 0.00 0.00 33.84 31.10 1kfy n VAL 157 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1kfy h LEU 158 N 10.80 0.38 -7.08 7.52 3.38 -0.52 -3.48 115.31 126.30 1kfy h LEU 158 Ca -0.47 -0.69 0.24 0.00 0.09 0.00 0.00 57.88 57.05 1kfy h LEU 158 Cb 1.26 -0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.72 1kfy h LEU 158 CO 0.95 1.60 0.75 -0.62 0.09 0.00 0.00 178.44 181.21 1kfy s ASP 159 N -6.92 -0.16 0.35 -0.43 3.68 -1.07 -5.00 116.67 107.12 1kfy s ASP 159 Ca -0.15 -0.05 0.07 0.00 2.13 0.00 0.00 52.55 54.55 1kfy s ASP 159 Cb 0.07 0.20 -0.01 0.00 -1.45 0.00 0.00 42.92 41.73 1kfy s ASP 159 CO 0.82 -0.34 0.44 0.27 0.13 0.00 0.00 175.17 176.49 1kfy s ILE 160 N -2.57 3.71 -0.21 4.11 -4.36 -1.26 -1.01 121.20 119.59 1kfy s ILE 160 Ca 0.10 -1.10 -0.01 0.00 -0.26 0.00 0.00 60.65 59.38 1kfy s ILE 160 Cb 0.00 -3.27 0.01 0.00 1.25 0.00 0.00 42.46 40.45 1kfy s ILE 160 CO -0.05 -0.13 -0.11 -0.76 0.24 0.00 0.00 174.94 174.14 1kfy s LEU 161 N -4.16 2.69 0.05 0.37 1.43 -0.93 -4.88 118.68 113.25 1kfy s LEU 161 Ca 0.46 -0.64 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1kfy s LEU 161 Cb -0.08 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1kfy s LEU 161 CO 0.30 -0.04 -0.11 -0.69 0.23 0.00 0.00 176.35 176.03 1kfy s VAL 162 N 1.36 0.88 -0.26 -1.59 1.01 -1.26 0.11 120.40 120.64 1kfy s VAL 162 Ca 0.04 -1.11 -0.15 0.00 0.00 0.00 0.00 61.98 60.77 1kfy s VAL 162 Cb -0.15 -0.86 0.08 0.00 0.00 0.00 0.00 36.38 35.46 1kfy s VAL 162 CO -0.07 -0.21 0.65 -0.62 0.00 0.00 0.00 175.10 174.84 1kfy s ASP 163 N -1.47 -0.89 -1.03 3.32 -1.08 -0.66 -4.96 116.67 109.89 1kfy s ASP 163 Ca -0.04 1.43 -0.12 0.00 -0.52 0.00 0.00 52.55 53.30 1kfy s ASP 163 Cb -0.09 1.36 -0.02 0.00 -1.46 0.00 0.00 42.92 42.71 1kfy s ASP 163 CO 0.01 -0.23 0.80 0.47 0.52 0.00 0.00 175.17 176.74 1kfy n ASP 164 N 4.40 -6.02 -4.13 -0.34 8.00 -1.26 -3.35 116.55 113.85 1kfy n ASP 164 Ca -0.20 -0.79 -0.33 0.00 0.71 0.00 0.00 54.79 54.18 1kfy n ASP 164 Cb 0.58 -4.00 -0.02 0.00 -0.02 0.00 0.00 41.12 37.65 1kfy n ASP 164 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kfy n GLY 165 N -1.58 -0.39 3.63 0.44 0.00 -1.26 -4.97 105.19 101.06 1kfy n GLY 165 Ca -0.09 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.47 -0.78 0.10 1.61 5.04 -1.21 -2.94 115.29 113.63 1kfy s HIS 166 Ca 0.54 1.87 -0.20 0.00 -1.54 0.00 0.00 55.06 55.74 1kfy s HIS 166 Cb -0.29 0.30 -0.07 0.00 0.04 0.00 0.00 32.58 32.56 1kfy s HIS 166 CO 0.91 -0.38 0.60 0.54 -2.34 0.00 0.00 174.74 174.07 1kfy s VAL 167 N 0.45 4.69 -0.31 0.89 0.11 -0.76 -1.65 120.40 123.83 1kfy s VAL 167 Ca -0.00 1.25 0.13 0.00 -2.93 0.00 0.00 61.98 60.42 1kfy s VAL 167 Cb -0.05 -3.91 0.47 0.00 -1.53 0.00 0.00 36.38 31.36 1kfy s VAL 167 CO -0.01 0.51 1.13 0.54 -3.33 0.00 0.00 175.10 173.94 1kfy n ARG 168 N 1.57 2.73 0.00 1.54 1.74 0.29 -4.44 116.66 120.09 1kfy n ARG 168 Ca -0.09 -3.91 0.00 0.00 -0.77 0.00 0.00 57.85 53.08 1kfy n ARG 168 Cb 0.51 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1kfy n ARG 168 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kfy n GLY 169 N -0.57 0.19 3.80 -0.13 0.00 0.47 -3.80 105.19 105.16 1kfy n GLY 169 Ca 0.28 -2.15 -0.05 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.21 -0.10 0.99 0.05 -0.15 -2.19 118.68 117.06 1kfy s LEU 170 Ca 0.00 -0.50 0.03 0.00 0.05 0.00 0.00 54.13 53.71 1kfy s LEU 170 Cb 0.00 2.40 0.01 0.00 -2.05 0.00 0.00 46.19 46.55 1kfy s LEU 170 CO 0.00 -1.10 -0.18 -0.69 -0.55 0.00 0.00 176.35 173.83 1kfy s VAL 171 N -3.55 1.67 0.36 1.48 1.01 -0.18 -1.53 120.40 119.67 1kfy s VAL 171 Ca 0.12 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1kfy s VAL 171 Cb -0.03 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1kfy s VAL 171 CO 0.04 0.47 0.09 0.00 0.00 0.00 0.00 175.10 175.71 1kfy s ALA 172 N 0.73 2.61 -0.10 5.51 0.00 -0.83 0.25 121.76 129.93 1kfy s ALA 172 Ca -0.11 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.23 1kfy s ALA 172 Cb -0.16 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.67 1kfy s ALA 172 CO 0.02 -0.32 -0.20 1.41 0.00 0.00 0.00 175.76 176.67 1kfy s MET 173 N -3.83 2.63 -0.45 0.00 1.75 -0.33 -0.57 119.30 118.50 1kfy s MET 173 Ca 0.30 -0.72 -0.28 0.00 -1.25 0.00 0.00 55.69 53.74 1kfy s MET 173 Cb 0.06 -2.08 -0.02 0.00 2.84 0.00 0.00 34.83 35.62 1kfy s MET 173 CO 0.14 0.06 1.83 1.21 -0.65 0.00 0.00 175.02 177.61 1kfy s ASN 174 N 0.64 5.60 0.23 1.11 2.47 0.15 -1.69 114.94 123.45 1kfy s ASN 174 Ca -0.13 0.88 -0.06 0.00 0.42 0.00 0.00 52.86 53.97 1kfy s ASN 174 Cb -0.16 -2.53 0.39 0.00 -1.45 0.00 0.00 41.25 37.50 1kfy s ASN 174 CO 0.03 -2.02 1.73 0.24 -3.72 0.00 0.00 177.10 173.37 1kfy h MET 175 N 13.91 0.42 0.37 0.43 2.86 -1.78 0.99 114.93 132.12 1kfy h MET 175 Ca -0.30 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.30 1kfy h MET 175 Cb 1.17 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1kfy h MET 175 CO 1.12 0.28 -0.18 1.98 1.06 0.00 0.00 176.91 181.16 1kfy h MET 176 N 0.43 -0.48 -0.37 1.72 -1.53 -1.87 -1.17 114.93 111.66 1kfy h MET 176 Ca 0.37 0.03 -0.12 0.00 -3.44 0.00 0.00 59.70 56.55 1kfy h MET 176 Cb 0.53 0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.67 1kfy h MET 176 CO -0.37 -0.17 -0.24 0.93 0.14 0.00 0.00 176.91 177.20 1kfy h GLU 177 N -0.94 0.74 0.00 0.39 4.39 -1.76 -2.82 114.58 114.57 1kfy h GLU 177 Ca -0.05 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1kfy h GLU 177 Cb 0.54 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1kfy h GLU 177 CO 0.08 0.91 0.00 0.41 -1.16 0.00 0.00 179.01 179.25 1kfy n GLY 178 N -0.23 0.47 3.70 -3.84 0.00 0.34 -4.55 105.19 101.08 1kfy n GLY 178 Ca -0.00 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.00 4.53 0.36 2.61 -4.23 -1.20 -4.89 115.64 110.83 1kfy s THR 179 Ca 0.00 -0.16 -0.23 0.00 -1.18 0.00 0.00 61.69 60.12 1kfy s THR 179 Cb 0.00 -2.93 -0.10 0.00 1.34 0.00 0.00 72.50 70.80 1kfy s THR 179 CO 0.00 0.59 0.93 -0.76 -0.54 0.00 0.00 174.62 174.84 1kfy s LEU 180 N -0.76 4.16 0.07 4.79 1.43 -1.26 0.32 118.68 127.41 1kfy s LEU 180 Ca 0.12 1.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.97 1kfy s LEU 180 Cb -0.12 -4.22 -0.03 0.00 0.03 0.00 0.00 46.19 41.85 1kfy s LEU 180 CO 0.02 -0.19 -0.07 -0.69 0.23 0.00 0.00 176.35 175.65 1kfy s VAL 181 N -1.87 0.61 -0.22 -1.59 1.01 0.27 -4.61 120.40 114.00 1kfy s VAL 181 Ca 0.55 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1kfy s VAL 181 Cb -0.14 -1.06 0.05 0.00 0.00 0.00 0.00 36.38 35.23 1kfy s VAL 181 CO 0.19 -0.58 -0.08 -1.10 0.00 0.00 0.00 175.10 173.52 1kfy s GLN 182 N -2.51 1.85 -0.18 2.72 -0.21 -0.28 -1.96 119.66 119.08 1kfy s GLN 182 Ca -0.01 -0.93 -0.09 0.00 0.02 0.00 0.00 55.36 54.35 1kfy s GLN 182 Cb -0.04 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.42 1kfy s GLN 182 CO -0.02 -0.51 0.11 0.42 -2.12 0.00 0.00 175.29 173.18 1kfy s ILE 183 N 1.38 5.27 -0.19 1.08 1.09 -0.58 -0.88 121.20 128.37 1kfy s ILE 183 Ca -0.04 0.13 -0.09 0.00 -1.10 0.00 0.00 60.65 59.56 1kfy s ILE 183 Cb -0.18 -3.38 -0.05 0.00 -1.06 0.00 0.00 42.46 37.80 1kfy s ILE 183 CO -0.07 0.47 0.10 -0.13 -0.10 0.00 0.00 174.94 175.21 1kfy s ARG 184 N 0.17 4.10 -0.07 2.79 1.81 0.31 -0.98 118.95 127.07 1kfy s ARG 184 Ca 0.08 -0.27 -0.29 0.00 -1.72 0.00 0.00 55.73 53.52 1kfy s ARG 184 Cb -0.11 -3.33 0.10 0.00 -0.45 0.00 0.00 34.95 31.16 1kfy s ARG 184 CO -0.01 0.29 0.86 0.00 -0.68 0.00 0.00 175.30 175.76 1kfy s ALA 185 N 0.36 -1.84 -0.36 2.13 0.00 -1.25 -1.51 121.76 119.29 1kfy s ALA 185 Ca 0.06 1.30 0.15 0.00 0.00 0.00 0.00 51.96 53.47 1kfy s ALA 185 Cb -0.12 -0.13 0.71 0.00 0.00 0.00 0.00 23.12 23.58 1kfy s ALA 185 CO -0.01 -0.45 1.63 0.09 0.00 0.00 0.00 175.76 177.01 1kfy n ASN 186 N 0.45 5.00 -3.37 0.00 3.02 -1.23 -0.39 115.26 118.74 1kfy n ASN 186 Ca -0.13 -2.87 0.01 0.00 -0.03 0.00 0.00 54.58 51.56 1kfy n ASN 186 Cb 0.59 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 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 -2.62 -2.12 -0.11 5.41 0.00 -1.26 -4.30 121.76 116.76 1kfy s ALA 187 Ca 0.50 2.02 0.02 0.00 0.00 0.00 0.00 51.96 54.50 1kfy s ALA 187 Cb 0.38 -1.98 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 1kfy s ALA 187 CO 0.15 -1.15 -0.18 0.08 0.00 0.00 0.00 175.76 174.66 1kfy s VAL 188 N 2.86 2.63 -0.22 0.00 1.01 -0.97 -1.18 120.40 124.53 1kfy s VAL 188 Ca 0.09 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1kfy s VAL 188 Cb -0.14 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1kfy s VAL 188 CO -0.20 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 174.67 1kfy s VAL 189 N 0.30 2.89 -0.23 2.92 1.01 -0.12 -0.63 120.40 126.54 1kfy s VAL 189 Ca -0.13 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 1kfy s VAL 189 Cb -0.17 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1kfy s VAL 189 CO 0.07 0.37 0.69 -0.04 0.00 0.00 0.00 175.10 176.19 1kfy s MET 190 N 1.38 4.17 -0.35 2.72 -1.94 0.87 -0.66 119.30 125.48 1kfy s MET 190 Ca 0.04 0.70 0.14 0.00 -1.71 0.00 0.00 55.69 54.86 1kfy s MET 190 Cb -0.15 -3.62 0.41 0.00 2.01 0.00 0.00 34.83 33.48 1kfy s MET 190 CO -0.06 -0.39 0.98 0.00 -0.01 0.00 0.00 175.02 175.54 1kfy n ALA 191 N 5.57 2.44 0.70 3.03 0.00 -0.62 -0.28 120.51 131.34 1kfy n ALA 191 Ca 0.01 -2.77 0.07 0.00 0.00 0.00 0.00 53.44 50.76 1kfy n ALA 191 Cb 0.49 -0.96 0.21 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.04 0.53 -2.59 0.00 -2.24 -1.25 -4.44 114.28 104.25 1kfy n THR 192 Ca 0.10 -0.55 0.03 0.00 -2.27 0.00 0.00 64.05 61.36 1kfy n THR 192 Cb 0.78 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 69.32 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 1.18 -1.91 0.00 3.38 0.00 -1.26 -4.71 105.19 101.87 1kfy n GLY 193 Ca 0.15 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.95 -2.00 0.84 -0.02 0.00 -1.24 -3.19 105.19 98.64 1kfy n GLY 194 Ca 0.00 -1.43 0.02 0.00 0.00 0.00 0.00 46.02 44.62 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 2.22 -0.18 4.61 0.00 -1.26 -1.90 120.51 120.99 1kfy n ALA 195 Ca 0.00 -1.69 0.29 0.00 0.00 0.00 0.00 53.44 52.05 1kfy n ALA 195 Cb 0.00 -0.57 0.73 0.00 0.00 0.00 0.00 19.45 19.60 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 0.41 0.00 0.18 0.00 0.00 -1.89 -1.56 103.07 100.21 1kfy h GLY 196 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1kfy h GLY 196 CO 0.04 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.12 1kfy n ARG 197 N -4.18 0.20 0.12 4.80 5.12 -0.99 -0.95 116.66 120.78 1kfy n ARG 197 Ca 0.19 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.23 1kfy n ARG 197 Cb 1.00 -1.09 0.19 0.00 -1.16 0.00 0.00 32.46 31.40 1kfy n ARG 197 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 1kfy h VAL 198 N 0.00 0.00 -3.01 1.55 -1.51 -1.55 -3.45 116.25 108.28 1kfy h VAL 198 Ca 0.00 -0.73 -0.61 0.00 -1.23 0.00 0.00 66.70 64.13 1kfy h VAL 198 Cb 0.00 1.50 -0.05 0.00 -2.13 0.00 0.00 31.29 30.61 1kfy h VAL 198 CO 0.00 0.00 -0.26 -0.31 -1.23 0.00 0.00 177.57 175.77 1kfy s TYR 199 N -3.20 3.65 0.23 5.19 1.51 -0.12 -3.40 117.35 121.20 1kfy s TYR 199 Ca 0.06 0.84 -0.07 0.00 -1.01 0.00 0.00 57.07 56.89 1kfy s TYR 199 Cb 0.10 -2.18 0.29 0.00 -0.11 0.00 0.00 41.96 40.06 1kfy s TYR 199 CO 0.69 0.60 1.85 -0.09 -1.11 0.00 0.00 175.55 177.49 1kfy h ARG 200 N 4.28 0.89 -4.87 -0.62 2.43 -1.81 -3.39 114.38 111.29 1kfy h ARG 200 Ca -0.51 -0.05 -0.67 0.00 -0.81 0.00 0.00 59.98 57.94 1kfy h ARG 200 Cb 1.21 -0.20 -0.29 0.00 -0.42 0.00 0.00 29.97 30.27 1kfy h ARG 200 CO 0.63 0.59 -0.69 0.71 -1.51 0.00 0.00 179.97 179.70 1kfy s TYR 201 N -6.08 3.10 0.33 2.20 4.12 -1.26 -5.03 117.35 114.72 1kfy s TYR 201 Ca -0.13 -1.28 -0.06 0.00 0.02 0.00 0.00 57.07 55.63 1kfy s TYR 201 Cb 0.17 -2.14 0.01 0.00 -1.52 0.00 0.00 41.96 38.48 1kfy s TYR 201 CO 0.78 -0.65 0.50 0.54 0.02 0.00 0.00 175.55 176.74 1kfy s ASN 202 N 1.41 0.60 0.00 2.29 2.20 -1.26 -1.99 114.94 118.18 1kfy s ASN 202 Ca 0.01 -1.34 0.16 0.00 -0.94 0.00 0.00 52.86 50.76 1kfy s ASN 202 Cb -0.17 0.66 0.37 0.00 -2.00 0.00 0.00 41.25 40.11 1kfy s ASN 202 CO -0.01 -1.30 1.28 0.35 -2.94 0.00 0.00 177.10 174.48 1kfy n THR 203 N -0.52 0.72 -3.22 0.54 -2.24 -0.58 -4.14 114.28 104.85 1kfy n THR 203 Ca -0.01 -0.86 -0.25 0.00 -2.27 0.00 0.00 64.05 60.67 1kfy n THR 203 Cb 0.62 0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.11 6.29 0.51 3.42 0.02 -1.26 -4.76 114.94 118.06 1kfy s ASN 204 Ca 0.30 0.55 -0.18 0.00 -1.02 0.00 0.00 52.86 52.51 1kfy s ASN 204 Cb 0.17 -2.08 -0.07 0.00 0.02 0.00 0.00 41.25 39.29 1kfy s ASN 204 CO 0.23 -0.35 1.02 -0.83 0.02 0.00 0.00 177.10 177.18 1kfy s GLY 205 N -4.05 2.27 0.24 0.66 0.00 -1.26 -4.91 107.32 100.28 1kfy s GLY 205 Ca 0.41 0.41 0.11 0.00 0.00 0.00 0.00 44.72 45.66 1kfy s GLY 205 CO 0.38 0.71 1.24 0.61 0.00 0.00 0.00 173.10 176.04 1kfy n GLY 206 N -0.84 -0.59 0.02 0.20 0.00 -1.26 -1.33 105.19 101.40 1kfy n GLY 206 Ca 0.08 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1kfy n GLY 206 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1kfy n ILE 207 N -1.90 0.12 -2.26 -0.61 -5.35 -1.26 -4.60 119.36 103.50 1kfy n ILE 207 Ca -0.01 -0.10 -0.43 0.00 -0.27 0.00 0.00 62.75 61.94 1kfy n ILE 207 Cb 0.23 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 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 -1.73 3.94 0.50 7.28 0.31 -0.44 -4.62 118.33 123.57 1kfy n VAL 208 Ca 0.05 -3.91 0.10 0.00 -0.01 0.00 0.00 64.34 60.57 1kfy n VAL 208 Cb 0.38 -2.46 0.13 0.00 -0.91 0.00 0.00 33.84 30.98 1kfy n VAL 208 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1kfy n THR 209 N 4.73 0.28 -2.73 2.52 -1.04 -1.26 -2.34 114.28 114.44 1kfy n THR 209 Ca 0.45 -0.64 -0.11 0.00 -2.04 0.00 0.00 64.05 61.72 1kfy n THR 209 Cb 0.40 1.16 0.02 0.00 -1.82 0.00 0.00 70.33 70.09 1kfy n THR 209 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kfy n GLY 210 N 1.15 0.16 0.20 3.41 0.00 -0.80 -4.08 105.19 105.22 1kfy n GLY 210 Ca 0.14 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.83 0.57 -0.64 1.61 3.32 -1.86 -1.83 116.42 116.78 1kfy h ASP 211 Ca -0.25 -0.16 0.09 0.00 0.02 0.00 0.00 57.03 56.73 1kfy h ASP 211 Cb 1.17 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.51 1kfy h ASP 211 CO 0.27 0.57 0.28 1.23 -1.72 0.00 0.00 179.24 179.87 1kfy h GLY 212 N 0.54 0.92 0.95 2.75 0.00 -1.89 -1.20 103.07 105.13 1kfy h GLY 212 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1kfy h GLY 212 CO -0.01 0.03 0.17 -0.33 0.00 0.00 0.00 176.54 176.40 1kfy h MET 213 N 0.50 0.58 -0.66 4.80 2.86 -1.81 -2.78 114.93 118.42 1kfy h MET 213 Ca 0.31 -0.10 0.11 0.00 -2.06 0.00 0.00 59.70 57.96 1kfy h MET 213 Cb 0.34 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1kfy h MET 213 CO -0.27 0.53 0.44 0.78 1.06 0.00 0.00 176.91 179.45 1kfy h GLY 214 N 0.49 0.66 1.32 8.32 0.00 -0.38 -2.04 103.07 111.43 1kfy h GLY 214 Ca 0.13 -0.19 -0.25 0.00 0.00 0.00 0.00 47.33 47.02 1kfy h GLY 214 CO -0.01 0.10 -1.01 -0.33 0.00 0.00 0.00 176.54 175.29 1kfy h MET 215 N 0.45 0.61 0.00 4.80 2.86 -1.18 -3.00 114.93 119.47 1kfy h MET 215 Ca 0.31 -0.66 -0.06 0.00 -2.06 0.00 0.00 59.70 57.23 1kfy h MET 215 Cb 0.60 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1kfy h MET 215 CO -0.09 1.26 -0.28 0.00 1.06 0.00 0.00 176.91 178.86 1kfy h ALA 216 N 0.51 1.30 -0.46 6.32 0.00 -1.16 -2.73 119.26 123.05 1kfy h ALA 216 Ca -0.11 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1kfy h ALA 216 Cb 1.66 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1kfy h ALA 216 CO 0.19 0.34 -0.13 1.25 0.00 0.00 0.00 179.25 180.90 1kfy h LEU 217 N 0.00 0.92 -1.12 0.00 5.85 -1.39 -0.61 115.31 118.96 1kfy h LEU 217 Ca -0.00 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1kfy h LEU 217 Cb 0.58 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1kfy h LEU 217 CO 0.04 1.08 0.00 0.28 -0.34 0.00 0.00 178.44 179.49 1kfy h SER 218 N 0.75 0.00 -0.84 1.25 0.02 -1.34 -3.08 113.55 110.31 1kfy h SER 218 Ca 0.11 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.48 1kfy h SER 218 Cb 0.69 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.83 1kfy h SER 218 CO 0.05 0.00 -0.38 1.41 -1.14 0.00 0.00 176.83 176.77 1kfy n HIS 219 N -2.48 2.89 -0.65 3.45 8.25 -1.10 -4.94 115.22 120.63 1kfy n HIS 219 Ca 0.01 -2.44 0.00 0.00 -0.26 0.00 0.00 57.72 55.03 1kfy n HIS 219 Cb 0.21 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 30.70 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 -0.76 0.46 3.76 -1.41 0.00 -1.16 -4.95 105.19 101.13 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 -2.18 4.19 0.17 1.61 1.01 -0.25 -5.00 120.40 119.95 1kfy s VAL 221 Ca 0.00 1.93 -0.12 0.00 0.00 0.00 0.00 61.98 63.79 1kfy s VAL 221 Cb 0.00 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 1kfy s VAL 221 CO 0.00 0.51 0.54 -2.16 0.00 0.00 0.00 175.10 173.99 1kfy s PRO 222 N -1.16 3.90 -0.31 2.72 0.04 -1.26 -3.82 135.00 135.11 1kfy s PRO 222 Ca 0.39 0.39 -0.14 0.00 0.04 0.00 0.00 61.00 61.68 1kfy s PRO 222 Cb -0.25 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 1kfy s PRO 222 CO 0.30 0.43 0.32 -0.51 0.04 0.00 0.00 177.00 177.58 1kfy s LEU 223 N -2.23 4.29 0.09 -3.56 1.43 -0.87 -1.32 118.68 116.50 1kfy s LEU 223 Ca 0.40 -0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 53.21 1kfy s LEU 223 Cb -0.14 -2.29 -0.07 0.00 0.03 0.00 0.00 46.19 43.73 1kfy s LEU 223 CO 0.20 -0.24 0.58 -0.60 0.23 0.00 0.00 176.35 176.52 1kfy s ARG 224 N 1.94 4.20 -1.37 1.70 3.52 0.06 -2.06 118.95 126.94 1kfy s ARG 224 Ca 0.11 0.73 -0.08 0.00 -0.13 0.00 0.00 55.73 56.37 1kfy s ARG 224 Cb -0.16 -3.20 0.05 0.00 -1.56 0.00 0.00 34.95 30.08 1kfy s ARG 224 CO 0.11 0.61 0.53 -0.25 -0.81 0.00 0.00 175.30 175.49 1kfy n ASP 225 N 1.59 -4.51 0.00 -2.12 8.00 0.81 -1.75 116.55 118.57 1kfy n ASP 225 Ca -0.09 -0.35 0.04 0.00 0.71 0.00 0.00 54.79 55.10 1kfy n ASP 225 Cb 0.51 -3.70 0.26 0.00 -0.02 0.00 0.00 41.12 38.17 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 -3.82 0.27 0.06 -1.24 2.81 -1.26 -2.74 117.12 111.19 1kfy n MET 226 Ca -0.05 0.01 0.12 0.00 -1.81 0.00 0.00 57.70 55.97 1kfy n MET 226 Cb 0.57 -1.50 0.16 0.00 -0.71 0.00 0.00 33.22 31.73 1kfy n MET 226 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1kfy h GLU 227 N 0.00 0.00 -4.81 0.03 9.09 -1.86 -3.38 114.58 113.65 1kfy h GLU 227 Ca 0.00 0.00 -0.72 0.00 0.05 0.00 0.00 59.36 58.69 1kfy h GLU 227 Cb 0.00 0.00 -0.18 0.00 -1.65 0.00 0.00 28.75 26.92 1kfy h GLU 227 CO 0.00 0.00 1.01 -0.06 0.05 0.00 0.00 179.01 180.01 1kfy s PHE 228 N -3.17 3.35 -0.38 2.06 0.40 -1.11 -4.68 117.98 114.45 1kfy s PHE 228 Ca 0.06 -1.78 -0.16 0.00 -0.60 0.00 0.00 56.93 54.45 1kfy s PHE 228 Cb 0.13 -4.26 0.00 0.00 0.51 0.00 0.00 43.02 39.41 1kfy s PHE 228 CO 0.73 -1.41 0.36 0.08 0.70 0.00 0.00 175.22 175.68 1kfy s VAL 229 N 1.96 5.17 0.02 -0.44 1.01 -1.26 -2.96 120.40 123.91 1kfy s VAL 229 Ca 0.36 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1kfy s VAL 229 Cb -0.04 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1kfy s VAL 229 CO -0.05 -0.23 0.99 -1.58 0.00 0.00 0.00 175.10 174.23 1kfy s GLN 230 N 1.97 4.57 0.11 2.72 0.74 -0.49 -4.92 119.66 124.36 1kfy s GLN 230 Ca 0.10 1.45 0.02 0.00 0.05 0.00 0.00 55.36 56.98 1kfy s GLN 230 Cb -0.17 -3.44 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 1kfy s GLN 230 CO 0.12 -0.02 0.18 0.71 -0.55 0.00 0.00 175.29 175.72 1kfy s TYR 231 N 0.86 3.36 -0.16 1.67 1.51 -1.26 -1.16 117.35 122.16 1kfy s TYR 231 Ca 0.52 0.12 -0.05 0.00 -1.01 0.00 0.00 57.07 56.65 1kfy s TYR 231 Cb -0.22 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 1kfy s TYR 231 CO 0.28 0.54 0.02 -1.58 -1.11 0.00 0.00 175.55 173.70 1kfy s HIS 232 N -1.58 3.16 0.35 2.71 2.46 0.63 -4.86 115.29 118.15 1kfy s HIS 232 Ca 0.33 -0.03 0.03 0.00 0.47 0.00 0.00 55.06 55.85 1kfy s HIS 232 Cb -0.12 -1.99 0.65 0.00 -0.13 0.00 0.00 32.58 31.00 1kfy s HIS 232 CO 0.26 0.15 1.97 -1.00 -2.47 0.00 0.00 174.74 173.65 1kfy h PRO 233 N 6.42 0.83 -4.64 2.88 0.13 -1.88 0.45 132.00 136.19 1kfy h PRO 233 Ca -0.37 -0.05 -0.68 0.00 -0.87 0.00 0.00 66.00 64.03 1kfy h PRO 233 Cb 1.18 -0.19 -0.37 0.00 0.13 0.00 0.00 31.00 31.75 1kfy h PRO 233 CO 0.65 0.55 -0.66 0.95 -0.23 0.00 0.00 178.00 179.26 1kfy s THR 234 N -5.74 2.71 0.07 1.56 -4.23 -1.26 -1.12 115.64 107.62 1kfy s THR 234 Ca -0.10 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.37 1kfy s THR 234 Cb 0.19 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 1kfy s THR 234 CO 0.77 -0.52 -0.09 -0.83 -0.54 0.00 0.00 174.62 173.41 1kfy s GLY 235 N 1.29 0.67 0.45 3.99 0.00 -0.38 -2.02 107.32 111.32 1kfy s GLY 235 Ca 0.06 -0.99 -0.23 0.00 0.00 0.00 0.00 44.72 43.56 1kfy s GLY 235 CO -0.06 -1.06 1.13 1.08 0.00 0.00 0.00 173.10 174.20 1kfy s LEU 236 N -2.05 4.03 0.60 0.66 1.43 -0.30 -0.93 118.68 122.13 1kfy s LEU 236 Ca -0.02 2.23 -0.18 0.00 -1.03 0.00 0.00 54.13 55.13 1kfy s LEU 236 Cb -0.06 -4.25 -0.03 0.00 0.03 0.00 0.00 46.19 41.88 1kfy s LEU 236 CO -0.00 -0.82 1.15 -2.16 0.23 0.00 0.00 176.35 174.74 1kfy s PRO 237 N -2.69 3.01 0.00 1.29 0.04 -1.26 -0.67 135.00 134.72 1kfy s PRO 237 Ca 0.63 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1kfy s PRO 237 Cb -0.26 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1kfy s PRO 237 CO 0.32 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1kfy n GLY 238 N 0.06 1.73 0.30 0.56 0.00 -1.26 -4.18 105.19 102.41 1kfy n GLY 238 Ca 0.12 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 0.90 0.00 1.61 4.64 -1.95 -3.46 113.55 115.29 1kfy h SER 239 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1kfy h SER 239 Cb 0.00 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 1kfy h SER 239 CO 0.00 0.69 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 1kfy n GLY 240 N -1.23 0.78 3.67 -0.77 0.00 0.16 -4.56 105.19 103.24 1kfy n GLY 240 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.19 1.27 -2.61 -0.61 5.41 -1.26 -3.81 119.36 115.57 1kfy n ILE 241 Ca 0.00 -0.32 -0.42 0.00 1.00 0.00 0.00 62.75 63.01 1kfy n ILE 241 Cb 0.01 -1.47 -0.03 0.00 -0.71 0.00 0.00 39.64 37.45 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 -0.17 4.26 -0.90 1.39 2.96 -1.26 -1.15 118.68 123.82 1kfy s LEU 242 Ca 0.64 1.64 -0.12 0.00 -0.22 0.00 0.00 54.13 56.07 1kfy s LEU 242 Cb -0.63 -3.56 0.23 0.00 0.50 0.00 0.00 46.19 42.73 1kfy s LEU 242 CO 0.53 -0.49 0.85 -0.32 -1.32 0.00 0.00 176.35 175.61 1kfy s MET 243 N 2.02 3.72 0.03 1.98 1.75 -0.85 -4.99 119.30 122.94 1kfy s MET 243 Ca 0.51 -2.68 -0.02 0.00 -1.25 0.00 0.00 55.69 52.25 1kfy s MET 243 Cb -0.21 -4.43 -0.01 0.00 2.84 0.00 0.00 34.83 33.02 1kfy s MET 243 CO 0.20 -1.27 0.01 -2.37 -0.65 0.00 0.00 175.02 170.94 1kfy n THR 244 N 3.58 0.07 0.30 10.11 5.66 -1.26 -4.74 114.28 128.00 1kfy n THR 244 Ca 0.16 -0.04 0.16 0.00 -3.05 0.00 0.00 64.05 61.29 1kfy n THR 244 Cb 0.44 0.00 0.94 0.00 -1.55 0.00 0.00 70.33 70.16 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 0.03 0.00 -1.12 1.09 4.81 -1.96 -2.33 114.58 115.10 1kfy h GLU 245 Ca -0.02 0.00 0.31 0.00 -0.13 0.00 0.00 59.36 59.52 1kfy h GLU 245 Cb 0.10 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.39 1kfy h GLU 245 CO 0.03 0.00 0.74 0.78 -0.73 0.00 0.00 179.01 179.84 1kfy h GLY 246 N 0.03 0.96 0.34 1.92 0.00 -1.95 0.81 103.07 105.17 1kfy h GLY 246 Ca -0.00 -0.15 0.21 0.00 0.00 0.00 0.00 47.33 47.39 1kfy h GLY 246 CO 0.00 -0.15 0.59 0.00 0.00 0.00 0.00 176.54 176.98 1kfy h ARG 248 N 0.34 0.05 0.00 0.00 3.08 -1.07 -0.42 114.38 116.36 1kfy h ARG 248 Ca 0.45 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 1kfy h ARG 248 Cb 1.21 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1kfy h ARG 248 CO -0.15 0.64 -0.00 0.78 -1.07 0.00 0.00 179.97 180.17 1kfy h GLY 249 N 3.05 0.00 -1.96 0.04 0.00 -0.77 0.32 103.07 103.75 1kfy h GLY 249 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1kfy h GLY 249 CO 0.08 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.80 1kfy n GLU 250 N -3.20 2.29 -0.27 4.80 -0.58 -0.29 -4.91 120.64 118.47 1kfy n GLU 250 Ca -0.03 -1.98 0.00 0.00 -0.42 0.00 0.00 57.16 54.74 1kfy n GLU 250 Cb 0.10 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 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 1.40 0.84 3.77 0.62 0.00 0.11 -5.02 105.19 106.91 1kfy n GLY 251 Ca 0.19 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.17 2.31 0.18 -0.02 0.00 -0.17 -4.97 107.32 102.49 1kfy s GLY 252 Ca 0.00 0.64 0.08 0.00 0.00 0.00 0.00 44.72 45.44 1kfy s GLY 252 CO 0.00 0.99 -0.16 -0.26 0.00 0.00 0.00 173.10 173.67 1kfy s ILE 253 N -2.15 1.74 -0.21 0.90 -4.36 -1.21 -4.62 121.20 111.29 1kfy s ILE 253 Ca 0.69 -2.05 -0.01 0.00 -0.26 0.00 0.00 60.65 59.01 1kfy s ILE 253 Cb -0.22 -1.92 0.01 0.00 1.25 0.00 0.00 42.46 41.59 1kfy s ILE 253 CO 0.37 -0.47 -0.11 -0.76 0.24 0.00 0.00 174.94 174.21 1kfy s LEU 254 N -2.98 2.63 0.11 0.37 1.43 -1.26 -2.77 118.68 116.22 1kfy s LEU 254 Ca 0.19 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 52.77 1kfy s LEU 254 Cb -0.03 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 1kfy s LEU 254 CO 0.06 -0.03 -0.18 0.68 0.23 0.00 0.00 176.35 177.12 1kfy s VAL 255 N 1.37 1.53 0.00 -1.59 -7.23 -0.58 -4.09 120.40 109.81 1kfy s VAL 255 Ca 0.04 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1kfy s VAL 255 Cb -0.14 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.30 1kfy s VAL 255 CO -0.08 -0.22 0.00 -0.46 -0.31 0.00 0.00 175.10 174.04 1kfy n ASN 256 N 0.86 0.00 0.00 4.85 0.23 -0.87 -0.90 115.26 119.44 1kfy n ASN 256 Ca -0.18 -0.80 0.02 0.00 -0.53 0.00 0.00 54.58 53.10 1kfy n ASN 256 Cb 0.55 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.36 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 -0.80 0.05 -0.17 -3.83 2.85 -0.60 -0.46 118.16 115.20 1kfy n LYS 257 Ca 0.00 0.28 0.05 0.00 -1.05 0.00 0.00 58.31 57.59 1kfy n LYS 257 Cb 0.00 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.03 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 -1.33 2.90 -0.70 -5.58 3.02 -1.26 -4.93 115.26 107.38 1kfy n ASN 258 Ca 0.02 -2.00 -0.09 0.00 -0.03 0.00 0.00 54.58 52.48 1kfy n ASN 258 Cb 0.04 -0.23 -0.04 0.00 -0.61 0.00 0.00 39.78 38.94 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 0.50 1.07 3.69 7.41 0.00 0.39 -4.98 105.19 113.26 1kfy n GLY 259 Ca 0.11 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.29 3.42 -1.19 1.61 5.04 -1.26 -4.79 117.35 117.90 1kfy s TYR 260 Ca 0.00 0.72 -0.16 0.00 -2.44 0.00 0.00 57.07 55.19 1kfy s TYR 260 Cb 0.00 -2.54 -0.05 0.00 0.35 0.00 0.00 41.96 39.72 1kfy s TYR 260 CO 0.00 0.05 2.15 0.54 -1.34 0.00 0.00 175.55 176.95 1kfy n ARG 261 N 4.21 2.36 -0.49 4.97 1.74 -1.26 -2.04 116.66 126.14 1kfy n ARG 261 Ca -0.08 -2.24 0.43 0.00 -0.77 0.00 0.00 57.85 55.19 1kfy n ARG 261 Cb 0.51 -3.08 0.66 0.00 -1.02 0.00 0.00 32.46 29.53 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 6.67 0.00 0.00 -1.55 -0.00 -1.95 -2.74 116.97 117.40 1kfy h TYR 262 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.26 1kfy h TYR 262 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.34 1kfy h TYR 262 CO 1.43 0.00 0.17 1.28 -0.00 0.00 0.00 178.16 181.04 1kfy n LEU 263 N -3.65 0.44 0.17 0.10 4.77 -1.26 -1.20 117.00 116.37 1kfy n LEU 263 Ca 0.35 0.65 0.12 0.00 -0.03 0.00 0.00 56.01 57.10 1kfy n LEU 263 Cb 1.80 -0.65 0.25 0.00 -2.33 0.00 0.00 43.42 42.49 1kfy n LEU 263 CO 0.36 -0.80 0.81 0.06 -1.33 0.00 0.00 177.39 176.49 1kfy h GLN 264 N 0.00 0.00 0.00 3.23 3.07 -1.75 -3.11 115.11 116.55 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 0.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.90 1kfy h GLN 264 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 178.83 178.48 1kfy h ASP 265 N 0.00 0.00 -1.01 0.06 5.19 -1.42 -3.35 116.42 115.88 1kfy h ASP 265 Ca 0.00 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.80 1kfy h ASP 265 Cb 0.90 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 40.03 1kfy h ASP 265 CO 0.00 0.00 -0.19 -1.22 -3.12 0.00 0.00 179.24 174.71 1kfy n TYR 266 N -2.53 2.99 -0.95 4.55 4.02 -1.22 -4.93 117.16 119.10 1kfy n TYR 266 Ca 0.05 -2.58 0.00 0.00 -0.01 0.00 0.00 57.90 55.36 1kfy n TYR 266 Cb 0.45 -0.68 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 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 -0.73 0.75 1.85 2.72 0.00 -1.26 -4.85 105.19 103.68 1kfy n GLY 267 Ca 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.11 3.12 -2.18 1.61 2.81 -1.18 -4.96 117.12 114.24 1kfy n MET 268 Ca 0.00 -3.07 -0.12 0.00 -1.81 0.00 0.00 57.70 52.70 1kfy n MET 268 Cb 0.02 -2.13 0.05 0.00 -0.71 0.00 0.00 33.22 30.44 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 -0.52 1.82 3.83 3.03 0.00 -1.26 -1.28 105.19 110.82 1kfy n GLY 269 Ca 0.42 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 1kfy n GLY 269 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kfy s PRO 270 N -3.68 1.80 0.28 1.61 0.04 -1.26 -4.91 135.00 128.88 1kfy s PRO 270 Ca 0.38 0.34 -0.30 0.00 0.04 0.00 0.00 61.00 61.46 1kfy s PRO 270 Cb -0.03 -1.91 -0.12 0.00 0.04 0.00 0.00 34.50 32.48 1kfy s PRO 270 CO 0.24 -1.76 1.45 -1.91 0.04 0.00 0.00 177.00 175.07 1kfy n GLU 271 N -3.47 2.30 -3.51 4.56 2.13 -1.26 -4.74 120.64 116.65 1kfy n GLU 271 Ca 0.07 0.82 -0.35 0.00 0.66 0.00 0.00 57.16 58.36 1kfy n GLU 271 Cb 0.59 -2.50 -0.06 0.00 0.27 0.00 0.00 31.44 29.74 1kfy n GLU 271 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1kfy s THR 272 N -0.30 5.02 0.34 6.31 -4.23 -1.26 -5.06 115.64 116.46 1kfy s THR 272 Ca 0.63 0.58 -0.29 0.00 -1.18 0.00 0.00 61.69 61.44 1kfy s THR 272 Cb -0.57 -3.67 -0.11 0.00 1.34 0.00 0.00 72.50 69.48 1kfy s THR 272 CO 0.53 0.29 1.49 -2.84 -0.54 0.00 0.00 174.62 173.54 1kfy s PRO 273 N -1.89 4.15 0.45 3.99 0.02 -1.26 -4.83 135.00 135.64 1kfy s PRO 273 Ca 0.34 2.51 0.33 0.00 0.02 0.00 0.00 61.00 64.20 1kfy s PRO 273 Cb -0.14 -3.00 1.47 0.00 0.02 0.00 0.00 34.50 32.84 1kfy s PRO 273 CO 0.18 -0.51 1.62 -0.07 -0.33 0.00 0.00 177.00 177.90 1kfy h LEU 274 N 3.66 0.21 0.00 -5.54 3.38 -1.97 -2.24 115.31 112.81 1kfy h LEU 274 Ca -0.49 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1kfy h LEU 274 Cb 1.23 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1kfy h LEU 274 CO 0.69 -0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.67 1kfy n GLY 275 N -1.57 -2.19 3.24 0.83 0.00 -1.26 -4.62 105.19 99.61 1kfy n GLY 275 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 1kfy n GLY 275 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kfy s GLU 276 N -2.57 2.73 0.54 1.61 8.01 -0.84 -4.89 118.70 123.29 1kfy s GLU 276 Ca 0.00 -1.91 -0.19 0.00 0.01 0.00 0.00 54.97 52.88 1kfy s GLU 276 Cb 0.00 -4.05 -0.06 0.00 -4.31 0.00 0.00 34.13 25.71 1kfy s GLU 276 CO 0.00 -1.23 1.10 -2.14 0.01 0.00 0.00 175.26 172.99 1kfy s PRO 277 N 1.14 3.42 -0.01 0.39 0.02 -1.26 -4.34 135.00 134.36 1kfy s PRO 277 Ca 0.08 1.48 0.05 0.00 0.02 0.00 0.00 61.00 62.63 1kfy s PRO 277 Cb -0.25 -2.03 -0.01 0.00 0.02 0.00 0.00 34.50 32.23 1kfy s PRO 277 CO -0.01 -0.77 -0.17 0.21 -0.33 0.00 0.00 177.00 175.93 1kfy s LYS 278 N -3.41 1.42 0.40 5.54 2.20 -1.26 -5.05 119.74 119.58 1kfy s LYS 278 Ca 0.70 -0.62 -0.27 0.00 -0.36 0.00 0.00 55.97 55.42 1kfy s LYS 278 Cb -0.21 -1.37 -0.10 0.00 -1.51 0.00 0.00 37.83 34.64 1kfy s LYS 278 CO 0.27 0.37 1.42 -1.71 -0.36 0.00 0.00 175.35 175.35 1kfy n ASN 279 N 2.66 3.38 0.00 1.43 4.05 -1.26 -1.96 115.26 123.56 1kfy n ASN 279 Ca -0.15 1.18 0.00 0.00 0.45 0.00 0.00 54.58 56.06 1kfy n ASN 279 Cb 0.54 -1.59 0.00 0.00 1.23 0.00 0.00 39.78 39.96 1kfy n ASN 279 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1kfy n LYS 280 N 0.21 0.00 -4.22 1.20 4.76 -0.26 -5.01 118.16 114.84 1kfy n LYS 280 Ca 0.03 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.24 1kfy n LYS 280 Cb 0.39 -1.14 -0.07 0.00 -1.84 0.00 0.00 35.03 32.38 1kfy n LYS 280 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1kfy s TYR 281 N -2.43 2.66 0.00 2.13 1.51 -0.83 -4.33 117.35 116.06 1kfy s TYR 281 Ca 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1kfy s TYR 281 Cb 0.00 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 1kfy s TYR 281 CO 0.00 0.46 0.00 -1.33 -1.11 0.00 0.00 175.55 173.57 1kfy n MET 282 N -1.02 0.00 0.26 -0.62 2.81 -0.40 0.79 117.12 118.94 1kfy n MET 282 Ca -0.04 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 55.99 1kfy n MET 282 Cb 0.61 0.00 0.75 0.00 -0.71 0.00 0.00 33.22 33.86 1kfy n MET 282 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1kfy h GLU 283 N 0.00 0.00 -0.76 0.03 3.07 -1.90 -0.75 114.58 114.28 1kfy h GLU 283 Ca 0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 1kfy h GLU 283 Cb 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 27.61 1kfy h GLU 283 CO 0.00 0.00 0.02 1.28 -1.40 0.00 0.00 179.01 178.91 1kfy n LEU 284 N -2.59 5.81 0.00 1.33 4.77 0.24 -4.98 117.00 121.57 1kfy n LEU 284 Ca -0.02 -4.30 -0.20 0.00 -0.03 0.00 0.00 56.01 51.46 1kfy n LEU 284 Cb 0.23 -0.66 0.11 0.00 -2.33 0.00 0.00 43.42 40.76 1kfy n LEU 284 CO 0.12 1.63 0.49 0.61 -1.33 0.00 0.00 177.39 178.92 1kfy n GLY 285 N -0.91 0.48 3.67 -0.72 0.00 -0.29 -1.11 105.19 106.31 1kfy n GLY 285 Ca 0.49 -1.99 -0.54 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.63 1.37 -0.42 1.61 -0.02 -1.26 -4.81 135.00 128.85 1kfy n PRO 286 Ca 0.14 0.50 -0.11 0.00 -2.02 0.00 0.00 63.50 62.01 1kfy n PRO 286 Cb 0.50 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.68 1kfy n PRO 286 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1kfy n ARG 287 N 4.48 -0.43 -0.18 -0.52 0.63 -1.26 -1.18 116.66 118.19 1kfy n ARG 287 Ca 0.23 1.50 -0.00 0.00 -0.92 0.00 0.00 57.85 58.65 1kfy n ARG 287 Cb 0.18 -2.20 0.09 0.00 0.45 0.00 0.00 32.46 30.98 1kfy n ARG 287 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1kfy h ASP 288 N 0.00 -0.13 -0.82 6.15 3.32 -1.93 -1.60 116.42 121.41 1kfy h ASP 288 Ca 0.16 0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.37 1kfy h ASP 288 Cb 0.41 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 1kfy h ASP 288 CO -0.93 -0.05 0.53 0.11 -1.72 0.00 0.00 179.24 177.18 1kfy h LYS 289 N 0.18 0.99 -0.20 3.56 1.57 -1.52 0.43 116.57 121.58 1kfy h LYS 289 Ca 0.29 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 1kfy h LYS 289 Cb 0.45 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1kfy h LYS 289 CO -0.43 0.66 -0.20 0.28 -0.57 0.00 0.00 179.45 179.19 1kfy h VAL 290 N 1.02 1.23 0.14 0.50 2.07 -0.62 0.47 116.25 121.07 1kfy h VAL 290 Ca 0.33 -1.06 -0.28 0.00 0.82 0.00 0.00 66.70 66.50 1kfy h VAL 290 Cb 0.01 1.30 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1kfy h VAL 290 CO -0.12 0.33 -1.26 0.28 0.02 0.00 0.00 177.57 176.83 1kfy h SER 291 N 0.32 0.56 -0.45 0.57 0.02 -0.79 -3.17 113.55 110.60 1kfy h SER 291 Ca 0.06 -0.57 -0.10 0.00 -0.84 0.00 0.00 61.79 60.33 1kfy h SER 291 Cb 0.53 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1kfy h SER 291 CO 0.04 1.43 -0.10 1.56 -1.14 0.00 0.00 176.83 178.62 1kfy h GLN 292 N 0.12 0.92 -0.85 3.45 4.20 0.24 -2.75 115.11 120.43 1kfy h GLN 292 Ca -0.16 -0.32 0.19 0.00 0.06 0.00 0.00 58.65 58.42 1kfy h GLN 292 Cb 1.97 -0.07 -0.11 0.00 0.30 0.00 0.00 27.48 29.57 1kfy h GLN 292 CO 0.22 0.97 0.37 0.00 -0.67 0.00 0.00 178.83 179.72 1kfy h ALA 293 N 1.05 1.31 0.03 3.87 0.00 -0.04 0.24 119.26 125.72 1kfy h ALA 293 Ca 0.13 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1kfy h ALA 293 Cb 0.63 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1kfy h ALA 293 CO 0.04 -0.26 -0.21 0.35 0.00 0.00 0.00 179.25 179.17 1kfy h PHE 294 N 0.45 -0.54 -0.52 0.00 3.57 -1.49 0.91 116.94 119.32 1kfy h PHE 294 Ca 0.51 0.02 0.07 0.00 3.53 0.00 0.00 57.97 62.10 1kfy h PHE 294 Cb 0.88 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.79 1kfy h PHE 294 CO -0.14 -0.29 0.18 2.35 -2.23 0.00 0.00 178.31 178.17 1kfy h TRP 295 N -0.34 0.31 -0.72 0.41 2.91 -0.94 0.65 115.95 118.22 1kfy h TRP 295 Ca 0.05 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.06 1kfy h TRP 295 Cb 0.41 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.96 1kfy h TRP 295 CO -0.24 0.09 0.32 0.45 -1.03 0.00 0.00 178.44 178.04 1kfy h HIS 296 N 0.35 1.07 -0.70 2.65 -0.00 -0.83 -0.84 115.15 116.85 1kfy h HIS 296 Ca 0.25 -0.07 -0.05 0.00 -0.00 0.00 0.00 60.37 60.50 1kfy h HIS 296 Cb 0.28 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.34 1kfy h HIS 296 CO -0.17 0.81 0.23 0.93 -0.00 0.00 0.00 177.93 179.73 1kfy h GLU 297 N 1.02 1.08 -0.91 2.45 4.39 0.15 -2.34 114.58 120.43 1kfy h GLU 297 Ca 0.25 -0.23 0.03 0.00 0.34 0.00 0.00 59.36 59.75 1kfy h GLU 297 Cb 0.16 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 1kfy h GLU 297 CO -0.03 0.92 0.59 2.35 -1.16 0.00 0.00 179.01 181.69 1kfy h TRP 298 N 1.02 1.11 -0.11 4.33 7.01 0.15 -1.39 115.95 128.06 1kfy h TRP 298 Ca 0.23 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 61.14 1kfy h TRP 298 Cb 0.28 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 1kfy h TRP 298 CO 0.02 0.65 -0.42 0.00 -2.79 0.00 0.00 178.44 175.90 1kfy h ARG 299 N 1.16 0.26 0.00 2.65 3.08 -0.86 -2.36 114.38 118.31 1kfy h ARG 299 Ca 0.36 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1kfy h ARG 299 Cb -0.02 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1kfy h ARG 299 CO -0.11 0.64 0.00 1.63 -1.07 0.00 0.00 179.97 181.06 1kfy n LYS 300 N -4.02 0.09 -1.36 0.04 5.02 -0.91 -4.86 118.16 112.15 1kfy n LYS 300 Ca -0.02 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1kfy n LYS 300 Cb 0.49 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1kfy n LYS 300 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kfy n GLY 301 N 0.34 0.55 0.43 0.72 0.00 -0.89 -4.96 105.19 101.39 1kfy n GLY 301 Ca 0.04 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 1.71 1.52 -4.88 1.61 3.02 -0.57 -4.91 115.26 112.76 1kfy n ASN 302 Ca 0.00 -1.29 -0.35 0.00 -0.03 0.00 0.00 54.58 52.91 1kfy n ASN 302 Cb 0.26 0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.49 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 -2.28 5.26 0.53 3.41 -4.23 -1.25 -1.56 115.64 115.52 1kfy s THR 303 Ca 0.29 0.23 -0.18 0.00 -1.18 0.00 0.00 61.69 60.85 1kfy s THR 303 Cb 0.20 -3.58 -0.07 0.00 1.34 0.00 0.00 72.50 70.39 1kfy s THR 303 CO 0.44 0.36 1.04 -0.63 -0.54 0.00 0.00 174.62 175.29 1kfy s ILE 304 N -1.31 3.91 -0.22 2.99 1.09 -0.58 -4.76 121.20 122.31 1kfy s ILE 304 Ca 0.28 1.04 -0.07 0.00 -1.10 0.00 0.00 60.65 60.81 1kfy s ILE 304 Cb -0.13 -3.46 -0.03 0.00 -1.06 0.00 0.00 42.46 37.78 1kfy s ILE 304 CO 0.16 -0.40 0.05 -0.55 -0.10 0.00 0.00 174.94 174.10 1kfy s SER 305 N -2.42 5.10 0.38 3.58 0.15 -1.26 -0.88 113.70 118.34 1kfy s SER 305 Ca 0.65 -0.17 0.08 0.00 0.70 0.00 0.00 55.95 57.21 1kfy s SER 305 Cb -0.15 -1.90 -0.07 0.00 -1.71 0.00 0.00 66.02 62.19 1kfy s SER 305 CO 0.27 0.03 -0.03 0.42 1.20 0.00 0.00 173.24 175.13 1kfy s THR 306 N 1.23 2.14 -0.70 6.45 -4.23 -1.12 -5.01 115.64 114.40 1kfy s THR 306 Ca 0.04 -2.08 0.15 0.00 -1.18 0.00 0.00 61.69 58.62 1kfy s THR 306 Cb -0.15 -2.84 0.15 0.00 1.34 0.00 0.00 72.50 71.00 1kfy s THR 306 CO 0.03 -0.10 1.47 -2.65 -0.54 0.00 0.00 174.62 172.83 1kfy n PRO 307 N -0.90 0.08 -0.39 3.99 -0.02 -1.26 -1.94 135.00 134.57 1kfy n PRO 307 Ca -0.05 0.43 0.09 0.00 -2.02 0.00 0.00 63.50 61.95 1kfy n PRO 307 Cb 0.65 -1.70 0.27 0.00 -0.02 0.00 0.00 33.50 32.71 1kfy n PRO 307 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1kfy n ARG 308 N -1.86 3.11 0.00 -0.52 1.74 -1.26 -5.08 116.66 112.80 1kfy n ARG 308 Ca 0.01 -2.55 0.00 0.00 -0.77 0.00 0.00 57.85 54.55 1kfy n ARG 308 Cb 0.12 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 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 0.84 2.25 3.76 -0.13 0.00 -0.82 -4.13 105.19 106.96 1kfy n GLY 309 Ca 0.20 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 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 5.75 0.10 1.61 1.01 -1.26 -2.81 116.67 121.07 1kfy s ASP 310 Ca 0.00 2.88 -0.13 0.00 0.71 0.00 0.00 52.55 56.02 1kfy s ASP 310 Cb 0.00 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.30 1kfy s ASP 310 CO 0.00 -1.26 0.31 -0.69 0.21 0.00 0.00 175.17 173.74 1kfy s VAL 311 N -1.22 0.10 0.00 -1.27 1.01 -0.06 -4.89 120.40 114.06 1kfy s VAL 311 Ca 0.63 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1kfy s VAL 311 Cb -0.43 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1kfy s VAL 311 CO 0.54 -0.46 0.00 1.33 0.00 0.00 0.00 175.10 176.52 1kfy n VAL 312 N -0.06 0.00 -3.76 2.92 0.24 -0.21 -1.53 118.33 115.94 1kfy n VAL 312 Ca -0.16 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.99 1kfy n VAL 312 Cb 0.63 -0.53 -0.16 0.00 -1.47 0.00 0.00 33.84 32.31 1kfy n VAL 312 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1kfy s TYR 313 N 1.32 -0.00 -1.00 6.34 2.02 -0.08 -2.92 117.35 123.03 1kfy s TYR 313 Ca 0.00 0.21 -0.06 0.00 -0.37 0.00 0.00 57.07 56.84 1kfy s TYR 313 Cb 0.00 -0.24 0.25 0.00 -0.40 0.00 0.00 41.96 41.57 1kfy s TYR 313 CO 0.00 -0.11 0.95 -1.17 -1.57 0.00 0.00 175.55 173.65 1kfy s LEU 314 N 1.22 6.04 -0.02 -1.29 2.96 0.93 -1.53 118.68 126.99 1kfy s LEU 314 Ca -0.08 -3.58 -0.28 0.00 -0.22 0.00 0.00 54.13 49.97 1kfy s LEU 314 Cb -0.13 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1kfy s LEU 314 CO -0.04 -0.26 0.90 -0.62 -1.32 0.00 0.00 176.35 175.01 1kfy s ASP 315 N 0.79 7.25 0.00 3.68 2.15 -1.11 -2.29 116.67 127.15 1kfy s ASP 315 Ca 0.28 1.52 0.01 0.00 0.43 0.00 0.00 52.55 54.80 1kfy s ASP 315 Cb -0.09 -2.52 -0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1kfy s ASP 315 CO -0.10 -0.22 0.30 0.18 -0.17 0.00 0.00 175.17 175.16 1kfy n LEU 316 N 3.90 0.59 -0.12 -1.34 4.77 -1.26 -3.33 117.00 120.21 1kfy n LEU 316 Ca 0.04 -0.75 -0.02 0.00 -0.03 0.00 0.00 56.01 55.25 1kfy n LEU 316 Cb 0.51 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1kfy n LEU 316 CO 0.51 0.14 0.15 0.54 -1.33 0.00 0.00 177.39 177.40 1kfy n ARG 317 N -0.47 -0.10 0.00 3.23 1.74 -1.26 0.90 116.66 120.69 1kfy n ARG 317 Ca 0.01 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1kfy n ARG 317 Cb 0.03 -0.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 1kfy n ARG 317 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1kfy n HIS 318 N -4.39 0.00 -3.75 -1.55 1.44 -1.26 -4.84 115.22 100.87 1kfy n HIS 318 Ca 0.02 -0.11 -0.20 0.00 -2.01 0.00 0.00 57.72 55.41 1kfy n HIS 318 Cb 0.09 -0.11 -0.02 0.00 0.12 0.00 0.00 29.99 30.08 1kfy n HIS 318 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1kfy s LEU 319 N 0.00 3.96 -0.21 2.39 1.43 0.26 -5.09 118.68 121.41 1kfy s LEU 319 Ca 0.00 -0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 52.73 1kfy s LEU 319 Cb 0.00 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 1kfy s LEU 319 CO 0.00 -0.28 0.48 -0.83 0.23 0.00 0.00 176.35 175.96 1kfy s GLY 320 N -4.05 2.03 0.55 -3.19 0.00 -1.26 -4.94 107.32 96.46 1kfy s GLY 320 Ca 0.40 -0.48 0.35 0.00 0.00 0.00 0.00 44.72 44.99 1kfy s GLY 320 CO 0.29 1.04 2.07 0.83 0.00 0.00 0.00 173.10 177.33 1kfy h GLU 321 N 7.55 0.00 0.59 2.90 3.07 -1.97 0.31 114.58 127.03 1kfy h GLU 321 Ca -0.33 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.50 1kfy h GLU 321 Cb 1.15 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.07 1kfy h GLU 321 CO 0.73 0.00 -0.28 0.87 -1.40 0.00 0.00 179.01 178.92 1kfy h LYS 322 N 0.00 -0.77 0.02 2.33 1.79 -1.93 -2.01 116.57 116.00 1kfy h LYS 322 Ca 0.00 0.05 -0.21 0.00 -2.18 0.00 0.00 60.65 58.31 1kfy h LYS 322 Cb 0.08 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1kfy h LYS 322 CO 0.00 -0.46 -0.95 0.87 -1.08 0.00 0.00 179.45 177.83 1kfy h LYS 323 N -1.12 0.16 0.03 3.15 1.57 -1.86 -3.26 116.57 115.24 1kfy h LYS 323 Ca -0.08 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1kfy h LYS 323 Cb 0.66 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1kfy h LYS 323 CO 0.13 0.99 -0.04 1.25 -0.57 0.00 0.00 179.45 181.21 1kfy h LEU 324 N 0.08 -0.13 -2.81 2.94 5.85 -0.48 0.54 115.31 121.30 1kfy h LEU 324 Ca -0.05 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1kfy h LEU 324 Cb 1.62 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.69 1kfy h LEU 324 CO 0.14 -0.05 0.00 1.41 -0.34 0.00 0.00 178.44 179.60 1kfy n HIS 325 N -2.61 0.00 -0.18 1.25 8.25 -0.76 0.26 115.22 121.44 1kfy n HIS 325 Ca -0.01 -0.86 0.00 0.00 -0.26 0.00 0.00 57.72 56.59 1kfy n HIS 325 Cb 0.04 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.71 1kfy n HIS 325 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1kfy n GLU 326 N 1.30 1.45 0.00 -0.41 2.13 -1.00 -4.88 120.64 119.24 1kfy n GLU 326 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1kfy n GLU 326 Cb 0.48 -0.12 0.00 0.00 0.27 0.00 0.00 31.44 32.07 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 0.00 0.00 -2.76 5.31 1.74 0.15 -4.93 116.66 116.17 1kfy n ARG 327 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 1kfy n ARG 327 Cb 0.00 -0.17 0.04 0.00 -1.02 0.00 0.00 32.46 31.32 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 0.00 1.64 -0.08 0.55 4.77 0.74 -4.82 117.00 119.80 1kfy n LEU 328 Ca 0.00 -3.30 -0.13 0.00 -0.03 0.00 0.00 56.01 52.54 1kfy n LEU 328 Cb 0.16 0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 1kfy n LEU 328 CO 0.00 1.24 0.02 1.55 -1.33 0.00 0.00 177.39 178.87 1kfy h PRO 329 N 2.72 0.00 -0.48 3.23 0.13 -1.89 -3.07 132.00 132.64 1kfy h PRO 329 Ca -0.11 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.10 1kfy h PRO 329 Cb 1.24 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 1kfy h PRO 329 CO 0.30 0.78 -0.41 0.35 -0.23 0.00 0.00 178.00 178.79 1kfy h PHE 330 N -1.00 -1.18 -0.93 1.56 3.04 -1.93 0.53 116.94 117.02 1kfy h PHE 330 Ca -0.10 0.07 0.23 0.00 3.98 0.00 0.00 57.97 62.15 1kfy h PHE 330 Cb 0.90 0.59 -0.12 0.00 2.56 0.00 0.00 35.95 39.87 1kfy h PHE 330 CO 0.15 -0.42 0.47 0.82 -2.02 0.00 0.00 178.31 177.31 1kfy h ILE 331 N -0.27 0.51 -0.23 1.41 5.03 -1.94 0.18 117.51 122.22 1kfy h ILE 331 Ca 0.17 -0.16 -0.13 0.00 -0.12 0.00 0.00 64.86 64.61 1kfy h ILE 331 Cb 0.57 -0.01 -0.01 0.00 -3.03 0.00 0.00 36.82 34.34 1kfy h ILE 331 CO -0.62 0.09 -0.41 0.00 -0.68 0.00 0.00 178.15 176.53 1kfy h GLU 333 N 0.44 0.06 -0.45 0.00 5.08 0.74 -2.09 114.58 118.36 1kfy h GLU 333 Ca 0.04 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1kfy h GLU 333 Cb 0.91 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.07 1kfy h GLU 333 CO 0.08 0.57 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.41 1kfy h LEU 334 N -0.45 -0.63 -0.42 1.33 3.38 -0.71 0.87 115.31 118.68 1kfy h LEU 334 Ca 0.00 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1kfy h LEU 334 Cb 0.56 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1kfy h LEU 334 CO 0.01 -0.22 0.20 0.00 0.09 0.00 0.00 178.44 178.52 1kfy h ALA 335 N 1.27 0.54 -0.32 1.53 0.00 -1.35 0.51 119.26 121.44 1kfy h ALA 335 Ca 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1kfy h ALA 335 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1kfy h ALA 335 CO -0.51 0.11 0.03 0.87 0.00 0.00 0.00 179.25 179.74 1kfy h LYS 336 N 0.54 0.55 0.37 0.00 1.57 -0.59 0.16 116.57 119.18 1kfy h LYS 336 Ca 0.14 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1kfy h LYS 336 Cb 0.12 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1kfy h LYS 336 CO -0.02 0.66 -0.18 0.00 -0.57 0.00 0.00 179.45 179.34 1kfy h ALA 337 N 0.87 -0.50 0.17 3.86 0.00 0.92 -3.15 119.26 121.43 1kfy h ALA 337 Ca 0.09 -0.19 -0.36 0.00 0.00 0.00 0.00 54.91 54.46 1kfy h ALA 337 Cb 0.39 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1kfy h ALA 337 CO 0.01 -0.56 -1.82 1.88 0.00 0.00 0.00 179.25 178.77 1kfy h TYR 338 N -0.94 0.67 -0.51 0.00 -1.99 -0.08 -3.37 116.97 110.74 1kfy h TYR 338 Ca -0.05 -0.49 0.00 0.00 2.00 0.00 0.00 58.73 60.19 1kfy h TYR 338 Cb 0.54 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.24 1kfy h TYR 338 CO 0.03 1.71 0.00 1.33 -0.00 0.00 0.00 178.16 181.23 1kfy n VAL 339 N -3.57 1.58 -3.98 -2.88 0.24 -0.75 -4.96 118.33 104.03 1kfy n VAL 339 Ca -0.27 -1.24 -0.30 0.00 -2.04 0.00 0.00 64.34 60.50 1kfy n VAL 339 Cb 1.07 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 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 0.73 -0.40 3.03 7.63 0.00 -0.77 -4.95 105.19 110.46 1kfy n GLY 340 Ca 0.21 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.48 0.99 -0.34 1.61 1.01 -0.03 -4.94 120.40 115.22 1kfy s VAL 341 Ca 0.47 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 1kfy s VAL 341 Cb -0.24 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 1kfy s VAL 341 CO 0.87 0.31 0.59 -0.62 0.00 0.00 0.00 175.10 176.24 1kfy s ASP 342 N 0.35 6.40 0.00 3.32 -1.08 -1.26 -2.01 116.67 122.39 1kfy s ASP 342 Ca -0.07 0.15 0.00 0.00 -0.52 0.00 0.00 52.55 52.11 1kfy s ASP 342 Cb -0.12 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1kfy s ASP 342 CO 0.02 -0.52 0.60 -2.65 0.52 0.00 0.00 175.17 173.13 1kfy n PRO 343 N 5.89 0.34 0.00 4.34 -0.02 -1.26 0.78 135.00 145.06 1kfy n PRO 343 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1kfy n PRO 343 Cb 0.49 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 1kfy n PRO 343 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1kfy n VAL 344 N 1.59 0.00 -0.02 -1.45 0.24 -1.26 -4.42 118.33 113.01 1kfy n VAL 344 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 1kfy n VAL 344 Cb 0.17 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.40 1kfy n VAL 344 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1kfy n LYS 345 N -0.44 0.66 -4.10 7.34 4.81 -0.55 -4.68 118.16 121.21 1kfy n LYS 345 Ca 0.00 -0.06 -0.11 0.00 -0.87 0.00 0.00 58.31 57.27 1kfy n LYS 345 Cb 0.00 -1.59 -0.07 0.00 0.02 0.00 0.00 35.03 33.39 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 -3.16 1.42 0.01 1.64 0.41 0.23 -4.96 118.70 114.29 1kfy s GLU 346 Ca -0.07 -1.46 -0.16 0.00 -0.41 0.00 0.00 54.97 52.87 1kfy s GLU 346 Cb 0.11 0.38 -0.06 0.00 -1.78 0.00 0.00 34.13 32.78 1kfy s GLU 346 CO 0.86 -0.54 0.45 -2.14 -0.49 0.00 0.00 175.26 173.40 1kfy s PRO 347 N -4.02 4.01 -0.33 0.39 0.02 -1.26 -4.32 135.00 129.49 1kfy s PRO 347 Ca 0.30 0.49 -0.25 0.00 0.02 0.00 0.00 61.00 61.56 1kfy s PRO 347 Cb 0.03 -3.24 0.01 0.00 0.02 0.00 0.00 34.50 31.32 1kfy s PRO 347 CO 0.11 0.64 0.88 0.42 -0.33 0.00 0.00 177.00 178.73 1kfy s ILE 348 N -0.97 4.68 0.06 2.83 1.01 -0.97 -4.87 121.20 122.97 1kfy s ILE 348 Ca 0.25 1.29 -0.31 0.00 0.00 0.00 0.00 60.65 61.88 1kfy s ILE 348 Cb -0.17 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 37.98 1kfy s ILE 348 CO 0.14 -0.38 1.26 -2.16 0.00 0.00 0.00 174.94 173.80 1kfy s PRO 349 N 3.24 4.39 0.26 2.79 0.04 -1.26 -0.05 135.00 144.40 1kfy s PRO 349 Ca 0.36 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.26 1kfy s PRO 349 Cb -0.13 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 1kfy s PRO 349 CO 0.15 -0.34 0.16 0.14 0.04 0.00 0.00 177.00 177.15 1kfy s VAL 350 N 1.29 0.17 -0.19 -0.36 -7.23 -1.15 -4.20 120.40 108.74 1kfy s VAL 350 Ca 0.60 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.47 1kfy s VAL 350 Cb -0.31 -2.52 0.15 0.00 0.56 0.00 0.00 36.38 34.26 1kfy s VAL 350 CO 0.28 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 176.17 1kfy s ARG 351 N -3.93 0.44 0.38 4.82 1.70 -0.10 -1.04 118.95 121.22 1kfy s ARG 351 Ca 0.38 0.11 -0.26 0.00 -0.47 0.00 0.00 55.73 55.48 1kfy s ARG 351 Cb 0.06 0.21 -0.11 0.00 -0.57 0.00 0.00 34.95 34.54 1kfy s ARG 351 CO 0.16 -0.14 1.20 -2.30 -1.08 0.00 0.00 175.30 173.14 1kfy n PRO 352 N 0.66 1.83 -4.11 3.89 -0.02 -0.28 -1.25 135.00 135.72 1kfy n PRO 352 Ca -0.07 0.65 -0.14 0.00 -2.02 0.00 0.00 63.50 61.92 1kfy n PRO 352 Cb 0.58 -2.24 -0.11 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.16 0.70 0.09 3.45 2.01 0.16 -4.86 115.64 116.02 1kfy s THR 353 Ca 0.59 -1.31 -0.31 0.00 0.31 0.00 0.00 61.69 60.97 1kfy s THR 353 Cb -0.56 -0.93 -0.09 0.00 0.01 0.00 0.00 72.50 70.93 1kfy s THR 353 CO 0.59 -0.46 1.75 0.00 -0.69 0.00 0.00 174.62 175.82 1kfy s ALA 354 N -1.84 3.71 0.13 7.40 0.00 -0.84 -0.27 121.76 130.04 1kfy s ALA 354 Ca -0.04 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1kfy s ALA 354 Cb -0.07 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1kfy s ALA 354 CO -0.00 -1.20 0.00 1.58 0.00 0.00 0.00 175.76 176.14 1kfy n HIS 355 N 5.81 -0.70 -5.26 0.00 -0.00 -0.31 -1.52 115.22 113.24 1kfy n HIS 355 Ca 0.17 0.12 -0.32 0.00 -0.00 0.00 0.00 57.72 57.70 1kfy n HIS 355 Cb 0.40 0.21 -0.17 0.00 -0.00 0.00 0.00 29.99 30.43 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 -1.73 2.47 -0.56 1.57 6.14 -0.69 -4.78 117.35 119.78 1kfy s TYR 356 Ca 0.00 -0.80 -0.20 0.00 0.64 0.00 0.00 57.07 56.71 1kfy s TYR 356 Cb 0.00 -1.62 0.07 0.00 0.42 0.00 0.00 41.96 40.83 1kfy s TYR 356 CO 0.00 -0.27 0.74 0.99 0.64 0.00 0.00 175.55 177.65 1kfy s THR 357 N -0.05 4.72 0.16 4.34 2.01 -1.26 -1.39 115.64 124.17 1kfy s THR 357 Ca -0.07 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.41 1kfy s THR 357 Cb -0.15 -4.44 -0.16 0.00 0.01 0.00 0.00 72.50 67.76 1kfy s THR 357 CO 0.05 -1.04 1.36 0.24 -0.69 0.00 0.00 174.62 174.54 1kfy h MET 358 N 9.18 0.17 -7.43 4.92 0.00 -1.86 -3.45 114.93 116.44 1kfy h MET 358 Ca -0.28 -0.19 -0.48 0.00 0.00 0.00 0.00 59.70 58.74 1kfy h MET 358 Cb 1.09 0.06 0.11 0.00 0.00 0.00 0.00 31.60 32.86 1kfy h MET 358 CO 1.05 0.96 0.34 0.20 0.00 0.00 0.00 176.91 179.46 1kfy s GLY 359 N -4.54 1.61 0.00 8.32 0.00 -1.22 -4.78 107.32 106.71 1kfy s GLY 359 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.41 1kfy s GLY 359 CO 0.83 0.17 0.00 0.61 0.00 0.00 0.00 173.10 174.70 1kfy n GLY 360 N -2.21 -2.00 3.65 0.20 0.00 -0.72 -4.75 105.19 99.37 1kfy n GLY 360 Ca 0.07 -1.16 -0.56 0.00 0.00 0.00 0.00 46.02 44.37 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 0.46 0.14 -2.01 -0.61 5.41 0.47 -0.76 119.36 122.47 1kfy n ILE 361 Ca 0.00 -0.03 -0.42 0.00 1.00 0.00 0.00 62.75 63.30 1kfy n ILE 361 Cb 0.00 -0.93 -0.03 0.00 -0.71 0.00 0.00 39.64 37.97 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 1.99 4.21 0.08 0.38 2.12 -0.43 -1.42 118.70 125.63 1kfy s GLU 362 Ca 0.92 2.21 0.01 0.00 0.36 0.00 0.00 54.97 58.48 1kfy s GLU 362 Cb -1.06 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 29.56 1kfy s GLU 362 CO 0.58 -0.74 -0.06 0.95 -0.54 0.00 0.00 175.26 175.45 1kfy s THR 363 N 3.09 0.59 0.00 -1.70 -4.23 -1.24 -4.43 115.64 107.72 1kfy s THR 363 Ca 0.72 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1kfy s THR 363 Cb -0.36 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1kfy s THR 363 CO 0.30 -0.85 0.00 -0.90 -0.54 0.00 0.00 174.62 172.63 1kfy n ASP 364 N 0.13 -0.10 0.00 3.99 5.75 -0.33 -4.67 116.55 121.32 1kfy n ASP 364 Ca -0.13 -0.87 0.07 0.00 -0.01 0.00 0.00 54.79 53.85 1kfy n ASP 364 Cb 0.60 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 41.08 1kfy n ASP 364 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kfy n GLN 365 N -0.96 0.21 -0.49 0.11 3.00 -1.26 -2.43 117.38 115.56 1kfy n GLN 365 Ca 0.00 0.14 0.07 0.00 -0.01 0.00 0.00 57.00 57.20 1kfy n GLN 365 Cb 0.00 -1.50 0.14 0.00 0.00 0.00 0.00 30.24 28.88 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 -1.29 1.71 -0.26 1.08 5.03 -1.26 -4.98 115.26 115.29 1kfy n ASN 366 Ca 0.07 -3.22 -0.03 0.00 0.87 0.00 0.00 54.58 52.27 1kfy n ASN 366 Cb 0.12 -0.44 -0.01 0.00 -1.02 0.00 0.00 39.78 38.43 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 -1.83 4.21 0.00 0.00 2.12 -1.26 -0.56 118.70 121.38 1kfy s GLU 368 Ca 0.00 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.18 1kfy s GLU 368 Cb 0.00 -2.77 0.00 0.00 0.26 0.00 0.00 34.13 31.62 1kfy s GLU 368 CO 0.00 0.33 0.00 0.25 -0.54 0.00 0.00 175.26 175.30 1kfy n THR 369 N 0.47 0.00 0.11 -1.70 -2.24 0.16 -1.19 114.28 109.89 1kfy n THR 369 Ca -0.01 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1kfy n THR 369 Cb 0.51 -1.16 0.19 0.00 -2.10 0.00 0.00 70.33 67.77 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 0.18 -6.18 -0.78 3.08 -1.85 -3.41 114.38 105.41 1kfy h ARG 370 Ca 0.00 -0.10 -0.57 0.00 0.07 0.00 0.00 59.98 59.38 1kfy h ARG 370 Cb 0.00 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1kfy h ARG 370 CO 0.00 0.65 0.66 0.42 -1.07 0.00 0.00 179.97 180.63 1kfy s ILE 371 N -3.92 4.74 0.17 2.04 1.01 -1.26 -4.98 121.20 119.00 1kfy s ILE 371 Ca -0.04 2.03 -0.32 0.00 0.00 0.00 0.00 60.65 62.33 1kfy s ILE 371 Cb 0.13 -4.31 -0.12 0.00 0.01 0.00 0.00 42.46 38.17 1kfy s ILE 371 CO 0.78 -0.07 1.74 0.29 0.00 0.00 0.00 174.94 177.68 1kfy n LYS 372 N 5.55 2.69 0.00 2.79 4.76 -1.15 -1.92 118.16 130.87 1kfy n LYS 372 Ca 0.10 0.97 0.00 0.00 -2.87 0.00 0.00 58.31 56.51 1kfy n LYS 372 Cb 0.48 -2.82 0.00 0.00 -1.84 0.00 0.00 35.03 30.84 1kfy n LYS 372 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kfy n GLY 373 N 3.99 3.19 3.63 0.72 0.00 -1.26 -1.83 105.19 113.63 1kfy n GLY 373 Ca 0.17 0.00 -0.41 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 4.07 0.37 0.99 2.96 -0.81 -2.29 118.68 123.97 1kfy s LEU 374 Ca 0.00 0.79 0.08 0.00 -0.22 0.00 0.00 54.13 54.78 1kfy s LEU 374 Cb 0.00 -2.94 -0.06 0.00 0.50 0.00 0.00 46.19 43.69 1kfy s LEU 374 CO 0.00 -0.41 0.07 -0.36 -1.32 0.00 0.00 176.35 174.32 1kfy s PHE 375 N 2.60 2.57 -0.19 5.38 0.40 0.20 0.39 117.98 129.34 1kfy s PHE 375 Ca 0.28 -0.50 -0.10 0.00 -0.60 0.00 0.00 56.93 56.01 1kfy s PHE 375 Cb -0.15 -1.67 0.07 0.00 0.51 0.00 0.00 43.02 41.78 1kfy s PHE 375 CO 0.08 0.38 0.45 0.00 0.70 0.00 0.00 175.22 176.83 1kfy s ALA 376 N -2.56 -1.18 0.06 5.36 0.00 0.28 -0.09 121.76 123.63 1kfy s ALA 376 Ca 0.37 1.64 -0.00 0.00 0.00 0.00 0.00 51.96 53.96 1kfy s ALA 376 Cb 0.02 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1kfy s ALA 376 CO 0.20 -0.38 -0.04 0.54 0.00 0.00 0.00 175.76 176.09 1kfy s VAL 377 N 1.67 0.30 0.00 0.00 0.11 0.62 -4.70 120.40 118.41 1kfy s VAL 377 Ca -0.08 -1.81 0.00 0.00 -2.93 0.00 0.00 61.98 57.16 1kfy s VAL 377 Cb -0.09 -1.52 0.00 0.00 -1.53 0.00 0.00 36.38 33.25 1kfy s VAL 377 CO -0.14 -0.96 0.00 0.61 -3.33 0.00 0.00 175.10 171.28 1kfy n GLY 378 N 0.12 -1.79 0.00 6.54 0.00 -1.26 -4.12 105.19 104.68 1kfy n GLY 378 Ca -0.14 -1.81 0.07 0.00 0.00 0.00 0.00 46.02 44.14 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 0.02 0.18 1.61 2.13 -1.26 -1.96 120.64 121.35 1kfy n GLU 379 Ca 0.00 0.25 0.11 0.00 0.66 0.00 0.00 57.16 58.18 1kfy n GLU 379 Cb 0.00 -1.50 0.11 0.00 0.27 0.00 0.00 31.44 30.32 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 -2.96 0.00 -2.71 0.00 3.41 -0.83 -0.39 113.62 110.14 1kfy n SER 381 Ca 0.02 -0.23 -0.07 0.00 -0.26 0.00 0.00 58.87 58.34 1kfy n SER 381 Cb 0.55 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.59 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 -0.68 -2.03 0.00 4.04 2.88 -0.51 -3.09 113.62 114.23 1kfy n SER 382 Ca 0.00 -2.99 0.03 0.00 -1.33 0.00 0.00 58.87 54.58 1kfy n SER 382 Cb 0.00 1.62 0.15 0.00 -0.75 0.00 0.00 64.21 65.23 1kfy n SER 382 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1kfy n VAL 383 N 0.65 1.22 -1.64 2.46 0.24 -1.26 -3.71 118.33 116.29 1kfy n VAL 383 Ca 0.03 0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.63 1kfy n VAL 383 Cb 0.71 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 31.88 1kfy n VAL 383 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kfy n GLY 384 N -0.78 0.83 0.09 7.63 0.00 -1.26 -4.83 105.19 106.86 1kfy n GLY 384 Ca 0.02 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.45 0.73 0.06 0.99 7.94 -1.26 -1.65 117.00 123.37 1kfy n LEU 385 Ca 0.00 -0.03 0.06 0.00 -1.11 0.00 0.00 56.01 54.93 1kfy n LEU 385 Cb 0.35 0.12 -0.05 0.00 0.53 0.00 0.00 43.42 44.38 1kfy n LEU 385 CO 0.00 0.52 -0.17 1.41 -1.11 0.00 0.00 177.39 178.04 1kfy n HIS 386 N -2.74 0.93 -0.37 1.96 -0.00 -1.26 -4.87 115.22 108.87 1kfy n HIS 386 Ca -0.29 0.29 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1kfy n HIS 386 Cb 1.00 -1.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1kfy n HIS 386 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1kfy n GLY 387 N 1.29 2.64 0.57 -1.41 0.00 -1.26 -2.28 105.19 104.73 1kfy n GLY 387 Ca -0.05 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 11.22 2.76 -3.42 4.61 0.00 0.43 -4.84 120.51 131.27 1kfy n ALA 388 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 53.44 52.93 1kfy n ALA 388 Cb 0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1kfy n ALA 388 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1kfy s ASN 389 N -2.15 -1.20 0.41 0.00 3.84 -0.96 -0.88 114.94 113.99 1kfy s ASN 389 Ca 0.30 1.22 -0.26 0.00 0.21 0.00 0.00 52.86 54.34 1kfy s ASN 389 Cb 0.20 2.19 -0.09 0.00 -0.55 0.00 0.00 41.25 43.01 1kfy s ASN 389 CO 0.39 -0.23 1.26 -0.60 -2.79 0.00 0.00 177.10 175.14 1kfy s ARG 390 N 2.86 3.98 -0.01 0.43 3.00 -1.25 -3.64 118.95 124.33 1kfy s ARG 390 Ca 0.05 2.06 -0.19 0.00 -1.00 0.00 0.00 55.73 56.65 1kfy s ARG 390 Cb -0.13 -2.73 -0.05 0.00 0.00 0.00 0.00 34.95 32.04 1kfy s ARG 390 CO -0.19 -0.45 0.56 -1.17 0.00 0.00 0.00 175.30 174.04 1kfy s LEU 391 N -2.46 4.42 0.22 -0.88 2.96 -1.26 -4.98 118.68 116.70 1kfy s LEU 391 Ca 0.57 1.11 -0.32 0.00 -0.22 0.00 0.00 54.13 55.28 1kfy s LEU 391 Cb -0.36 -2.85 -0.14 0.00 0.50 0.00 0.00 46.19 43.34 1kfy s LEU 391 CO 0.46 0.14 1.39 0.61 -1.32 0.00 0.00 176.35 177.63 1kfy n GLY 392 N 2.36 0.71 2.28 7.98 0.00 -1.26 -2.15 105.19 115.11 1kfy n GLY 392 Ca -0.08 0.52 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 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 2.25 -4.14 -0.01 1.61 3.41 -1.26 -4.27 113.62 111.22 1kfy n SER 393 Ca 0.13 0.23 0.08 0.00 -0.26 0.00 0.00 58.87 59.04 1kfy n SER 393 Cb 0.30 -2.56 -0.12 0.00 -0.26 0.00 0.00 64.21 61.57 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 0.39 1.24 -0.05 4.04 4.13 -0.91 0.70 115.26 124.79 1kfy n ASN 394 Ca -0.10 -0.11 -0.13 0.00 1.68 0.00 0.00 54.58 55.92 1kfy n ASN 394 Cb 0.34 1.64 -0.07 0.00 -1.54 0.00 0.00 39.78 40.15 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 0.34 -0.20 6.41 0.87 -1.90 -0.56 113.55 118.51 1kfy h SER 395 Ca 0.00 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1kfy h SER 395 Cb 0.69 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1kfy h SER 395 CO 0.00 0.72 0.13 -0.07 -0.53 0.00 0.00 176.83 177.08 1kfy h LEU 396 N -0.05 0.24 -0.58 2.23 3.38 -1.83 -1.58 115.31 117.12 1kfy h LEU 396 Ca 0.03 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.08 1kfy h LEU 396 Cb 0.62 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 1kfy h LEU 396 CO 0.03 0.18 0.16 0.00 0.09 0.00 0.00 178.44 178.90 1kfy h ALA 397 N 1.06 0.71 -0.64 1.53 0.00 -1.72 -0.74 119.26 119.46 1kfy h ALA 397 Ca 0.07 0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1kfy h ALA 397 Cb -0.02 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.81 1kfy h ALA 397 CO -0.02 -0.27 0.13 1.49 0.00 0.00 0.00 179.25 180.58 1kfy h GLU 398 N 0.30 0.24 -0.79 0.00 4.81 -0.17 -1.23 114.58 117.74 1kfy h GLU 398 Ca 0.30 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.63 1kfy h GLU 398 Cb 0.41 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.66 1kfy h GLU 398 CO -0.35 0.16 0.41 -0.07 -0.73 0.00 0.00 179.01 178.42 1kfy h LEU 399 N 0.25 0.52 0.17 1.64 3.38 -0.31 0.13 115.31 121.09 1kfy h LEU 399 Ca 0.34 0.07 -0.31 0.00 0.09 0.00 0.00 57.88 58.08 1kfy h LEU 399 Cb 0.54 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1kfy h LEU 399 CO -0.45 0.27 -1.43 -0.37 0.09 0.00 0.00 178.44 176.54 1kfy h VAL 400 N 0.64 1.30 -0.02 1.22 -1.51 -1.26 -1.52 116.25 115.10 1kfy h VAL 400 Ca 0.41 -2.84 -0.04 0.00 -1.23 0.00 0.00 66.70 62.99 1kfy h VAL 400 Cb 0.48 2.91 0.00 0.00 -2.13 0.00 0.00 31.29 32.56 1kfy h VAL 400 CO -0.31 0.85 -0.15 0.58 -1.23 0.00 0.00 177.57 177.31 1kfy h VAL 401 N 0.10 1.51 0.00 7.19 2.07 -0.97 -3.11 116.25 123.04 1kfy h VAL 401 Ca -0.22 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1kfy h VAL 401 Cb 2.05 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 34.40 1kfy h VAL 401 CO 0.21 0.47 -0.26 0.49 0.02 0.00 0.00 177.57 178.50 1kfy n PHE 402 N -4.60 0.30 0.04 1.57 3.01 0.45 -3.01 117.46 115.22 1kfy n PHE 402 Ca -0.09 0.09 -0.17 0.00 1.01 0.00 0.00 57.45 58.28 1kfy n PHE 402 Cb 0.42 -0.56 -0.08 0.00 -0.01 0.00 0.00 39.48 39.26 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 4.80 0.71 0.82 1.37 0.00 -1.35 -1.54 103.07 107.88 1kfy h GLY 403 Ca 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.14 1kfy h GLY 403 CO 0.00 1.04 -0.12 -0.09 0.00 0.00 0.00 176.54 177.37 1kfy h ARG 404 N 0.38 -0.33 -0.12 4.80 2.43 -1.60 -1.36 114.38 118.58 1kfy h ARG 404 Ca -0.10 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1kfy h ARG 404 Cb 1.59 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 31.16 1kfy h ARG 404 CO 0.18 -0.09 -0.52 1.25 -1.51 0.00 0.00 179.97 179.28 1kfy h LEU 405 N -0.54 -1.66 -0.91 3.80 5.85 -1.58 -0.28 115.31 119.99 1kfy h LEU 405 Ca -0.04 0.20 0.24 0.00 0.84 0.00 0.00 57.88 59.12 1kfy h LEU 405 Cb 0.40 0.65 -0.13 0.00 0.37 0.00 0.00 40.66 41.94 1kfy h LEU 405 CO 0.06 -0.47 0.40 0.00 -0.34 0.00 0.00 178.44 178.09 1kfy h ALA 406 N -0.35 1.49 0.06 1.25 0.00 -1.22 -0.82 119.26 119.66 1kfy h ALA 406 Ca 0.03 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1kfy h ALA 406 Cb 0.66 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1kfy h ALA 406 CO -0.42 -0.40 -0.03 0.78 0.00 0.00 0.00 179.25 179.19 1kfy h GLY 407 N 0.36 -0.08 0.95 0.00 0.00 0.08 -1.47 103.07 102.91 1kfy h GLY 407 Ca 0.59 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.92 1kfy h GLY 407 CO -0.56 -0.03 -0.30 0.83 0.00 0.00 0.00 176.54 176.47 1kfy h GLU 408 N -0.18 -0.81 -0.88 4.80 5.08 0.06 -2.53 114.58 120.11 1kfy h GLU 408 Ca -0.01 0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1kfy h GLU 408 Cb 0.16 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 1kfy h GLU 408 CO 0.01 -0.52 0.51 1.96 -1.00 0.00 0.00 179.01 179.98 1kfy h GLN 409 N -0.90 0.79 -0.39 2.33 1.08 -1.25 -1.18 115.11 115.59 1kfy h GLN 409 Ca -0.09 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.04 1kfy h GLN 409 Cb 0.67 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1kfy h GLN 409 CO 0.14 0.53 0.12 0.00 -0.95 0.00 0.00 178.83 178.66 1kfy h ALA 410 N 1.50 1.48 0.28 3.87 0.00 -1.20 -0.62 119.26 124.58 1kfy h ALA 410 Ca 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1kfy h ALA 410 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1kfy h ALA 410 CO -0.28 0.39 -0.13 1.15 0.00 0.00 0.00 179.25 180.38 1kfy h THR 411 N 0.55 0.75 -0.34 0.00 2.02 -0.78 -2.19 112.91 112.92 1kfy h THR 411 Ca 0.13 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1kfy h THR 411 Cb 0.18 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1kfy h THR 411 CO -0.01 0.03 0.15 -0.33 0.37 0.00 0.00 175.52 175.73 1kfy h GLU 412 N -0.45 0.49 0.00 6.66 5.08 -1.22 -2.41 114.58 122.74 1kfy h GLU 412 Ca -0.04 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1kfy h GLU 412 Cb 0.34 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1kfy h GLU 412 CO 0.06 0.47 0.00 -0.09 -1.00 0.00 0.00 179.01 178.45 1kfy h ARG 413 N 0.40 0.00 0.00 2.33 9.65 -1.04 -1.64 114.38 124.08 1kfy h ARG 413 Ca 0.11 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1kfy h ARG 413 Cb 0.15 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1kfy h ARG 413 CO -0.01 0.00 -1.90 0.00 2.80 0.00 0.00 179.97 180.86 1kfy n ALA 414 N -1.89 2.72 0.08 2.80 0.00 -0.83 -3.83 120.51 119.56 1kfy n ALA 414 Ca -0.01 -0.52 -0.06 0.00 0.00 0.00 0.00 53.44 52.85 1kfy n ALA 414 Cb 0.08 -0.77 -0.05 0.00 0.00 0.00 0.00 19.45 18.70 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 1.96 0.49 -0.25 0.00 0.00 -0.83 -3.28 119.26 117.36 1kfy h ALA 415 Ca -0.02 -0.82 -0.10 0.00 0.00 0.00 0.00 54.91 53.96 1kfy h ALA 415 Cb 1.05 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1kfy h ALA 415 CO 0.00 1.13 -0.12 0.25 0.00 0.00 0.00 179.25 180.52 1kfy n THR 416 N -3.44 2.38 0.14 0.00 -2.24 -1.00 -4.69 114.28 105.42 1kfy n THR 416 Ca -0.00 -2.60 0.02 0.00 -2.27 0.00 0.00 64.05 59.20 1kfy n THR 416 Cb 0.87 -0.29 0.05 0.00 -2.10 0.00 0.00 70.33 68.86 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 1.05 0.69 -2.24 6.98 0.00 -1.66 -3.50 119.26 120.58 1kfy h ALA 417 Ca 0.12 -0.46 0.22 0.00 0.00 0.00 0.00 54.91 54.79 1kfy h ALA 417 Cb 1.45 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1kfy h ALA 417 CO 0.26 0.64 -0.30 0.41 0.00 0.00 0.00 179.25 180.26 1kfy n GLY 418 N 1.12 -1.78 3.90 0.00 0.00 -1.26 -4.94 105.19 102.24 1kfy n GLY 418 Ca 0.02 -1.20 -0.21 0.00 0.00 0.00 0.00 46.02 44.63 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 -5.46 5.07 0.32 1.61 0.01 -1.26 -5.05 114.94 110.18 1kfy s ASN 419 Ca 0.00 -0.77 0.03 0.00 -0.71 0.00 0.00 52.86 51.41 1kfy s ASN 419 Cb 0.00 -0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.18 1kfy s ASN 419 CO 0.00 -0.75 0.13 -0.83 -1.51 0.00 0.00 177.10 174.14 1kfy s GLY 420 N -4.20 2.10 -0.66 0.66 0.00 -1.26 -5.09 107.32 98.88 1kfy s GLY 420 Ca 0.48 -1.73 -0.26 0.00 0.00 0.00 0.00 44.72 43.22 1kfy s GLY 420 CO 0.28 -1.66 2.06 0.21 0.00 0.00 0.00 173.10 173.99 1kfy s ASN 421 N -3.42 4.92 0.20 1.64 2.47 -1.26 -4.88 114.94 114.61 1kfy s ASN 421 Ca 0.34 0.29 -0.18 0.00 0.42 0.00 0.00 52.86 53.73 1kfy s ASN 421 Cb 0.06 -2.53 0.17 0.00 -1.45 0.00 0.00 41.25 37.50 1kfy s ASN 421 CO 0.16 -2.71 1.60 -0.08 -3.72 0.00 0.00 177.10 172.35 1kfy h GLU 422 N 15.15 -0.11 -0.47 0.43 4.57 -1.98 0.12 114.58 132.29 1kfy h GLU 422 Ca -0.16 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1kfy h GLU 422 Cb 1.14 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 1kfy h GLU 422 CO 1.18 -0.07 0.31 0.00 -1.18 0.00 0.00 179.01 179.26 1kfy h ALA 423 N 1.23 1.94 0.21 2.92 0.00 -1.98 0.13 119.26 123.71 1kfy h ALA 423 Ca 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1kfy h ALA 423 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1kfy h ALA 423 CO -0.67 -0.02 -0.10 0.00 0.00 0.00 0.00 179.25 178.46 1kfy h ALA 424 N 1.75 -0.29 -0.46 0.00 0.00 -1.36 -0.98 119.26 117.93 1kfy h ALA 424 Ca 0.20 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1kfy h ALA 424 Cb 0.31 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 1kfy h ALA 424 CO -0.05 -0.35 -0.15 0.82 0.00 0.00 0.00 179.25 179.52 1kfy h ILE 425 N -0.90 0.47 0.00 0.00 2.04 -0.39 0.60 117.51 119.33 1kfy h ILE 425 Ca -0.03 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1kfy h ILE 425 Cb 0.50 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1kfy h ILE 425 CO 0.05 0.00 -0.30 -0.33 0.00 0.00 0.00 178.15 177.57 1kfy h GLU 426 N -0.04 0.00 0.00 2.37 5.08 -0.82 -1.33 114.58 119.83 1kfy h GLU 426 Ca 0.22 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 1kfy h GLU 426 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1kfy h GLU 426 CO -0.50 0.30 -0.38 0.00 -1.00 0.00 0.00 179.01 177.43 1kfy h ALA 427 N 1.70 1.12 0.67 3.43 0.00 0.46 -2.22 119.26 124.42 1kfy h ALA 427 Ca -0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1kfy h ALA 427 Cb 0.57 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1kfy h ALA 427 CO 0.04 0.47 -0.32 1.96 0.00 0.00 0.00 179.25 181.40 1kfy h GLN 428 N 0.00 -0.87 -0.84 0.00 1.08 0.17 -2.09 115.11 112.56 1kfy h GLN 428 Ca -0.00 0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.36 1kfy h GLN 428 Cb 0.80 0.20 -0.06 0.00 -0.05 0.00 0.00 27.48 28.36 1kfy h GLN 428 CO 0.05 -0.55 0.54 0.00 -0.95 0.00 0.00 178.83 177.92 1kfy h ALA 429 N -0.72 1.73 -0.44 3.87 0.00 -1.39 0.41 119.26 122.72 1kfy h ALA 429 Ca -0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1kfy h ALA 429 Cb 0.72 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1kfy h ALA 429 CO 0.15 0.10 0.04 0.00 0.00 0.00 0.00 179.25 179.54 1kfy h ALA 430 N 1.58 1.26 -0.23 0.00 0.00 -1.20 -2.10 119.26 118.57 1kfy h ALA 430 Ca 0.39 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1kfy h ALA 430 Cb 0.46 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1kfy h ALA 430 CO -0.16 0.50 -0.29 0.78 0.00 0.00 0.00 179.25 180.09 1kfy h GLY 431 N 0.91 0.66 0.09 0.00 0.00 -0.27 -0.08 103.07 104.38 1kfy h GLY 431 Ca 0.14 -0.71 0.06 0.00 0.00 0.00 0.00 47.33 46.83 1kfy h GLY 431 CO 0.01 0.64 -0.27 -2.08 0.00 0.00 0.00 176.54 174.84 1kfy h VAL 432 N 0.30 0.34 -0.27 4.60 2.07 -0.81 0.40 116.25 122.88 1kfy h VAL 432 Ca 0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1kfy h VAL 432 Cb 0.86 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1kfy h VAL 432 CO 0.07 0.00 0.04 -0.08 0.02 0.00 0.00 177.57 177.62 1kfy h GLU 433 N -0.27 0.45 -0.49 1.57 4.81 -1.36 -0.81 114.58 118.48 1kfy h GLU 433 Ca 0.14 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1kfy h GLU 433 Cb 0.49 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 1kfy h GLU 433 CO -0.41 0.57 0.20 0.37 -0.73 0.00 0.00 179.01 179.01 1kfy h GLN 434 N 0.26 0.39 -0.53 1.92 5.75 -0.45 -1.06 115.11 121.39 1kfy h GLN 434 Ca 0.08 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.59 1kfy h GLN 434 Cb 0.34 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 1kfy h GLN 434 CO 0.01 0.26 0.31 -0.09 -2.65 0.00 0.00 178.83 176.66 1kfy h ARG 435 N 0.40 0.59 -0.93 1.69 1.12 0.07 0.31 114.38 117.62 1kfy h ARG 435 Ca 0.23 -0.04 0.07 0.00 -1.11 0.00 0.00 59.98 59.13 1kfy h ARG 435 Cb 0.21 -0.13 -0.07 0.00 -0.01 0.00 0.00 29.97 29.97 1kfy h ARG 435 CO -0.21 0.39 0.59 1.25 -3.11 0.00 0.00 179.97 178.88 1kfy h LEU 436 N 0.60 0.93 -0.81 3.80 5.85 -0.07 0.20 115.31 125.83 1kfy h LEU 436 Ca 0.22 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 1kfy h LEU 436 Cb 0.06 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1kfy h LEU 436 CO -0.11 0.59 0.03 0.50 -0.34 0.00 0.00 178.44 179.11 1kfy h LYS 437 N 1.07 0.92 -0.24 1.25 3.64 -0.44 0.23 116.57 123.00 1kfy h LYS 437 Ca 0.41 -0.26 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 1kfy h LYS 437 Cb 0.18 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 1kfy h LYS 437 CO -0.18 0.90 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.37 1kfy h ASP 438 N 0.86 -0.32 -0.66 4.20 3.32 0.10 0.36 116.42 124.29 1kfy h ASP 438 Ca 0.17 0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 1kfy h ASP 438 Cb 0.47 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 1kfy h ASP 438 CO 0.02 -0.12 0.20 0.25 -1.72 0.00 0.00 179.24 177.87 1kfy h LEU 439 N -0.05 0.98 -0.38 1.55 5.85 -0.54 0.63 115.31 123.34 1kfy h LEU 439 Ca 0.12 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1kfy h LEU 439 Cb 0.24 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1kfy h LEU 439 CO -0.28 0.92 -0.08 0.58 -0.34 0.00 0.00 178.44 179.24 1kfy h VAL 440 N 1.01 1.27 0.00 1.05 2.07 0.76 -2.95 116.25 119.47 1kfy h VAL 440 Ca 0.22 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1kfy h VAL 440 Cb 0.30 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1kfy h VAL 440 CO -0.01 0.39 -0.27 0.78 0.02 0.00 0.00 177.57 178.47 1kfy h ASN 441 N 0.54 0.00 -2.37 0.57 2.35 -0.23 -3.44 115.58 113.01 1kfy h ASN 441 Ca 0.10 -0.02 -0.59 0.00 -0.55 0.00 0.00 56.30 55.24 1kfy h ASN 441 Cb 0.60 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.03 1kfy h ASN 441 CO 0.04 0.01 0.71 1.67 -1.65 0.00 0.00 177.43 178.21 1kfy n GLN 442 N -2.78 2.04 -4.60 0.81 7.27 0.22 -4.98 117.38 115.37 1kfy n GLN 442 Ca 0.03 0.73 -0.28 0.00 0.07 0.00 0.00 57.00 57.56 1kfy n GLN 442 Cb 0.51 -2.46 -0.11 0.00 2.41 0.00 0.00 30.24 30.59 1kfy n GLN 442 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1kfy s ASP 443 N 0.67 3.91 0.03 1.69 2.15 -1.26 -4.41 116.67 119.45 1kfy s ASP 443 Ca 0.76 -1.36 0.00 0.00 0.43 0.00 0.00 52.55 52.38 1kfy s ASP 443 Cb -0.69 -0.39 0.00 0.00 -0.30 0.00 0.00 42.92 41.54 1kfy s ASP 443 CO 0.42 -0.46 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 1kfy n GLY 444 N -0.99 -0.59 0.00 2.66 0.00 -1.24 -4.19 105.19 100.84 1kfy n GLY 444 Ca -0.05 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.10 0.49 3.87 -0.02 0.00 -1.03 -4.84 105.19 102.56 1kfy n GLY 445 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.86 3.53 -0.19 1.61 2.02 -0.81 -4.90 118.70 119.10 1kfy s GLU 446 Ca 0.00 -0.04 -0.25 0.00 0.02 0.00 0.00 54.97 54.69 1kfy s GLU 446 Cb 0.00 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 31.03 1kfy s GLU 446 CO 0.00 0.76 0.84 1.21 0.02 0.00 0.00 175.26 178.09 1kfy s ASN 447 N -1.10 6.93 0.27 -0.19 2.47 -1.26 -3.14 114.94 118.92 1kfy s ASN 447 Ca 0.17 1.15 -0.00 0.00 0.42 0.00 0.00 52.86 54.60 1kfy s ASN 447 Cb -0.13 -2.45 0.57 0.00 -1.45 0.00 0.00 41.25 37.79 1kfy s ASN 447 CO 0.07 -0.44 1.75 4.11 -3.72 0.00 0.00 177.10 178.86 1kfy h TRP 448 N 7.42 0.74 -0.85 0.43 5.08 -1.98 -2.16 115.95 124.64 1kfy h TRP 448 Ca -0.27 0.04 0.07 0.00 1.08 0.00 0.00 58.89 59.80 1kfy h TRP 448 Cb 1.12 -0.20 -0.06 0.00 -3.00 0.00 0.00 29.16 27.02 1kfy h TRP 448 CO 0.73 0.13 0.52 0.00 -1.28 0.00 0.00 178.44 178.54 1kfy h ALA 449 N 1.59 1.17 0.00 0.11 0.00 -1.99 0.25 119.26 120.39 1kfy h ALA 449 Ca 0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 1kfy h ALA 449 Cb 0.74 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1kfy h ALA 449 CO -0.40 0.25 -0.13 0.87 0.00 0.00 0.00 179.25 179.84 1kfy h LYS 450 N 0.94 0.00 0.15 0.00 1.79 -1.81 -1.16 116.57 116.48 1kfy h LYS 450 Ca 0.38 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.59 1kfy h LYS 450 Cb 0.20 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1kfy h LYS 450 CO -0.18 0.13 -1.08 0.82 -1.08 0.00 0.00 179.45 178.06 1kfy h ILE 451 N 0.00 1.38 0.03 1.86 2.04 -1.30 -2.91 117.51 118.61 1kfy h ILE 451 Ca -0.00 -2.50 0.02 0.00 1.00 0.00 0.00 64.86 63.38 1kfy h ILE 451 Cb 0.55 2.95 -0.04 0.00 -0.74 0.00 0.00 36.82 39.55 1kfy h ILE 451 CO 0.02 0.74 -0.21 -0.09 0.00 0.00 0.00 178.15 178.60 1kfy h ARG 452 N -0.03 -0.34 -0.03 2.37 2.43 -0.47 -1.11 114.38 117.20 1kfy h ARG 452 Ca -0.18 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1kfy h ARG 452 Cb 1.81 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 31.38 1kfy h ARG 452 CO 0.20 -0.22 -0.34 -0.44 -1.51 0.00 0.00 179.97 177.66 1kfy h ASP 453 N -0.35 -1.04 -0.74 -3.80 3.32 -1.31 -1.65 116.42 110.84 1kfy h ASP 453 Ca 0.05 0.14 0.05 0.00 0.02 0.00 0.00 57.03 57.29 1kfy h ASP 453 Cb 0.41 0.42 -0.05 0.00 0.22 0.00 0.00 39.33 40.33 1kfy h ASP 453 CO -0.17 -0.40 0.44 -0.33 -1.72 0.00 0.00 179.24 177.07 1kfy h GLU 454 N -0.48 0.81 0.23 3.56 5.08 -1.32 -0.21 114.58 122.24 1kfy h GLU 454 Ca 0.07 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1kfy h GLU 454 Cb 0.58 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1kfy h GLU 454 CO -0.30 0.53 -0.36 1.98 -1.00 0.00 0.00 179.01 179.86 1kfy h MET 455 N 0.83 -0.64 -0.53 2.33 4.05 -0.86 0.21 114.93 120.32 1kfy h MET 455 Ca 0.32 0.04 0.11 0.00 -0.28 0.00 0.00 59.70 59.89 1kfy h MET 455 Cb 0.13 0.14 -0.09 0.00 -0.80 0.00 0.00 31.60 30.99 1kfy h MET 455 CO -0.16 -0.42 -0.02 0.78 0.23 0.00 0.00 176.91 177.32 1kfy h GLY 456 N -0.66 0.53 1.60 1.39 0.00 -0.81 0.17 103.07 105.28 1kfy h GLY 456 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1kfy h GLY 456 CO -0.15 -0.16 0.24 1.41 0.00 0.00 0.00 176.54 177.88 1kfy h LEU 457 N 0.10 0.47 -0.06 3.11 3.38 -0.63 -2.34 115.31 119.33 1kfy h LEU 457 Ca 0.27 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 1kfy h LEU 457 Cb 0.42 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1kfy h LEU 457 CO -0.46 0.36 -0.21 0.00 0.09 0.00 0.00 178.44 178.21 1kfy h ALA 458 N 1.72 0.11 -0.11 1.53 0.00 0.79 -1.96 119.26 121.34 1kfy h ALA 458 Ca 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1kfy h ALA 458 Cb -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1kfy h ALA 458 CO -0.03 0.08 0.03 0.52 0.00 0.00 0.00 179.25 179.85 1kfy h MET 459 N -0.26 0.16 -0.08 0.00 2.86 -0.72 0.12 114.93 117.01 1kfy h MET 459 Ca -0.01 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1kfy h MET 459 Cb 0.84 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1kfy h MET 459 CO 0.05 0.15 -0.18 1.49 1.06 0.00 0.00 176.91 179.48 1kfy h GLU 460 N 0.16 0.25 -0.04 1.72 4.57 -1.38 0.04 114.58 119.90 1kfy h GLU 460 Ca 0.04 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 1kfy h GLU 460 Cb 0.07 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1kfy h GLU 460 CO -0.00 0.77 -0.07 1.49 -1.18 0.00 0.00 179.01 180.03 1kfy h GLU 461 N -0.23 0.12 0.07 1.92 4.81 -1.09 -3.29 114.58 116.88 1kfy h GLU 461 Ca -0.00 -0.07 -0.30 0.00 -0.13 0.00 0.00 59.36 58.86 1kfy h GLU 461 Cb 0.78 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1kfy h GLU 461 CO 0.04 0.63 -1.61 0.78 -0.73 0.00 0.00 179.01 178.12 1kfy h GLY 462 N -0.38 0.17 -4.60 1.92 0.00 -0.88 -3.39 103.07 95.91 1kfy h GLY 462 Ca 0.00 -0.43 -0.65 0.00 0.00 0.00 0.00 47.33 46.25 1kfy h GLY 462 CO 0.02 0.37 -0.05 0.00 0.00 0.00 0.00 176.54 176.88 1kfy n GLY 464 N -0.54 1.13 0.32 0.00 0.00 -1.24 -4.80 105.19 100.06 1kfy n GLY 464 Ca 0.46 -1.75 -0.01 0.00 0.00 0.00 0.00 46.02 44.72 1kfy n GLY 464 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1kfy h ILE 465 N 0.00 1.21 -3.24 -0.61 -2.65 -1.91 -3.41 117.51 106.89 1kfy h ILE 465 Ca 0.00 -0.61 -0.52 0.00 1.03 0.00 0.00 64.86 64.76 1kfy h ILE 465 Cb 0.00 0.47 -0.36 0.00 -2.05 0.00 0.00 36.82 34.88 1kfy h ILE 465 CO 0.00 0.25 -0.80 -0.31 0.03 0.00 0.00 178.15 177.31 1kfy s TYR 466 N -5.44 1.44 -0.11 0.16 4.12 -1.26 -4.38 117.35 111.88 1kfy s TYR 466 Ca -0.10 -0.67 -0.00 0.00 0.02 0.00 0.00 57.07 56.32 1kfy s TYR 466 Cb 0.16 -1.17 -0.02 0.00 -1.52 0.00 0.00 41.96 39.41 1kfy s TYR 466 CO 0.79 -0.45 -0.09 1.03 0.02 0.00 0.00 175.55 176.85 1kfy s ARG 467 N 1.44 3.18 -0.01 -0.62 0.52 0.42 -4.97 118.95 118.93 1kfy s ARG 467 Ca -0.00 -0.61 0.08 0.00 -0.52 0.00 0.00 55.73 54.67 1kfy s ARG 467 Cb -0.13 -2.66 -0.02 0.00 0.52 0.00 0.00 34.95 32.66 1kfy s ARG 467 CO -0.05 0.39 -0.24 0.95 0.02 0.00 0.00 175.30 176.36 1kfy s THR 468 N -0.07 2.21 0.42 0.02 -4.23 -1.26 -1.31 115.64 111.42 1kfy s THR 468 Ca -0.01 -1.12 0.17 0.00 -1.18 0.00 0.00 61.69 59.55 1kfy s THR 468 Cb -0.14 -1.80 0.37 0.00 1.34 0.00 0.00 72.50 72.28 1kfy s THR 468 CO 0.03 0.53 1.88 -0.65 -0.54 0.00 0.00 174.62 175.88 1kfy h PRO 469 N 5.30 0.39 -0.24 3.99 0.11 -1.97 0.15 132.00 139.74 1kfy h PRO 469 Ca -0.44 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1kfy h PRO 469 Cb 1.13 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1kfy h PRO 469 CO 0.47 0.26 0.15 1.49 -0.21 0.00 0.00 178.00 180.15 1kfy h GLU 470 N 0.40 0.32 0.12 1.05 4.22 -1.99 -1.31 114.58 117.40 1kfy h GLU 470 Ca 0.43 -0.03 -0.29 0.00 0.08 0.00 0.00 59.36 59.55 1kfy h GLU 470 Cb 1.04 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 30.25 1kfy h GLU 470 CO -0.15 0.24 -1.21 -0.07 -2.18 0.00 0.00 179.01 175.65 1kfy h LEU 471 N 0.30 0.85 -0.42 1.64 3.38 -1.70 -1.71 115.31 117.64 1kfy h LEU 471 Ca 0.09 -0.83 0.08 0.00 0.09 0.00 0.00 57.88 57.30 1kfy h LEU 471 Cb 0.00 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.42 1kfy h LEU 471 CO -0.02 1.59 -0.01 0.24 0.09 0.00 0.00 178.44 180.33 1kfy h MET 472 N 0.21 0.09 -0.37 1.13 2.86 -0.99 -0.45 114.93 117.41 1kfy h MET 472 Ca -0.19 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1kfy h MET 472 Cb 1.89 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.51 1kfy h MET 472 CO 0.23 0.06 0.24 0.37 1.06 0.00 0.00 176.91 178.87 1kfy h GLN 473 N 0.09 0.49 -1.00 1.72 5.75 -1.25 -0.86 115.11 120.05 1kfy h GLN 473 Ca 0.21 -0.03 0.21 0.00 -0.15 0.00 0.00 58.65 58.89 1kfy h GLN 473 Cb 0.31 -0.11 -0.10 0.00 1.07 0.00 0.00 27.48 28.65 1kfy h GLN 473 CO -0.36 0.33 0.62 -0.22 -2.65 0.00 0.00 178.83 176.54 1kfy h LYS 474 N 0.49 0.63 -0.15 1.69 3.64 -0.20 0.73 116.57 123.40 1kfy h LYS 474 Ca 0.13 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.27 1kfy h LYS 474 Cb -0.05 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1kfy h LYS 474 CO -0.03 0.42 -0.74 1.15 -2.27 0.00 0.00 179.45 177.98 1kfy h THR 475 N 0.65 1.30 -0.31 1.00 2.02 -0.40 -2.16 112.91 115.01 1kfy h THR 475 Ca 0.58 -1.98 -0.08 0.00 0.77 0.00 0.00 66.41 65.69 1kfy h THR 475 Cb 1.06 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 69.42 1kfy h THR 475 CO -0.36 0.62 -0.15 0.40 0.37 0.00 0.00 175.52 176.40 1kfy h ILE 476 N 0.48 1.25 0.00 3.11 2.04 0.23 0.88 117.51 125.50 1kfy h ILE 476 Ca -0.04 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.62 1kfy h ILE 476 Cb 1.35 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1kfy h ILE 476 CO 0.15 0.37 -0.40 0.44 0.00 0.00 0.00 178.15 178.71 1kfy h ASP 477 N 0.51 0.00 0.14 1.72 3.45 -0.83 -2.27 116.42 119.13 1kfy h ASP 477 Ca 0.09 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.30 1kfy h ASP 477 Cb 0.56 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.36 1kfy h ASP 477 CO 0.04 0.40 -1.05 0.50 -1.57 0.00 0.00 179.24 177.55 1kfy h LYS 478 N 0.00 0.46 -0.81 3.56 1.63 -0.64 -2.98 116.57 117.79 1kfy h LYS 478 Ca -0.00 -0.69 0.00 0.00 -0.85 0.00 0.00 60.65 59.11 1kfy h LYS 478 Cb 0.76 0.24 -0.04 0.00 -0.60 0.00 0.00 32.23 32.59 1kfy h LYS 478 CO 0.05 1.31 0.52 -0.07 -3.45 0.00 0.00 179.45 177.81 1kfy h LEU 479 N -0.04 0.94 -0.45 5.20 3.38 -0.76 0.21 115.31 123.78 1kfy h LEU 479 Ca -0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1kfy h LEU 479 Cb 1.79 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 1kfy h LEU 479 CO 0.20 0.70 0.26 0.00 0.09 0.00 0.00 178.44 179.69 1kfy h ALA 480 N 1.28 0.58 -0.64 1.53 0.00 -1.49 -1.46 119.26 119.06 1kfy h ALA 480 Ca 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1kfy h ALA 480 Cb -0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1kfy h ALA 480 CO -0.06 0.09 0.23 1.49 0.00 0.00 0.00 179.25 181.00 1kfy h GLU 481 N 0.60 0.97 0.00 0.00 4.81 -1.23 -1.39 114.58 118.33 1kfy h GLU 481 Ca 0.16 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1kfy h GLU 481 Cb 0.03 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1kfy h GLU 481 CO -0.03 0.83 0.00 1.28 -0.73 0.00 0.00 179.01 180.36 1kfy n LEU 482 N -4.40 0.43 0.01 1.64 4.77 0.68 -1.49 117.00 118.64 1kfy n LEU 482 Ca 0.04 0.62 -0.18 0.00 -0.03 0.00 0.00 56.01 56.46 1kfy n LEU 482 Cb 0.19 -0.58 -0.12 0.00 -2.33 0.00 0.00 43.42 40.57 1kfy n LEU 482 CO 0.40 -0.53 0.20 1.56 -1.33 0.00 0.00 177.39 177.69 1kfy h GLN 483 N 0.00 0.32 -0.49 3.23 1.08 -0.18 -2.32 115.11 116.74 1kfy h GLN 483 Ca 0.00 -0.41 -0.06 0.00 -1.45 0.00 0.00 58.65 56.73 1kfy h GLN 483 Cb 0.26 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 1kfy h GLN 483 CO 0.00 1.13 0.05 1.49 -0.95 0.00 0.00 178.83 180.55 1kfy h GLU 484 N -0.30 0.77 -0.22 1.46 4.81 -1.23 -1.85 114.58 118.02 1kfy h GLU 484 Ca -0.09 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 58.87 1kfy h GLU 484 Cb 1.38 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1kfy h GLU 484 CO 0.12 0.74 -0.25 0.00 -0.73 0.00 0.00 179.01 178.89 1kfy h ARG 485 N 0.73 0.41 -0.25 1.92 2.47 -1.29 -3.03 114.38 115.36 1kfy h ARG 485 Ca 0.15 -0.15 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1kfy h ARG 485 Cb 0.37 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1kfy h ARG 485 CO 0.01 0.64 0.04 0.35 0.56 0.00 0.00 179.97 181.57 1kfy h PHE 486 N 0.37 0.36 -0.00 3.04 3.57 -0.75 -1.36 116.94 122.16 1kfy h PHE 486 Ca 0.06 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1kfy h PHE 486 Cb 0.65 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1kfy h PHE 486 CO 0.02 0.34 -0.01 1.63 -2.23 0.00 0.00 178.31 178.06 1kfy n LYS 487 N -4.37 0.49 -0.82 1.11 5.02 -1.14 -2.89 118.16 115.55 1kfy n LYS 487 Ca 0.01 -0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.23 1kfy n LYS 487 Cb 0.18 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.24 2.10 -3.88 1.97 1.74 -0.52 -4.72 116.66 112.11 1kfy n ARG 488 Ca 0.15 -3.11 -0.36 0.00 -0.77 0.00 0.00 57.85 53.76 1kfy n ARG 488 Cb 0.23 -1.88 -0.08 0.00 -1.02 0.00 0.00 32.46 29.72 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 -3.19 5.24 -0.23 1.55 1.01 -1.14 -1.92 120.40 121.72 1kfy s VAL 489 Ca 0.46 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.50 1kfy s VAL 489 Cb 0.41 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1kfy s VAL 489 CO 0.03 0.51 0.05 -0.60 0.00 0.00 0.00 175.10 175.09 1kfy s ARG 490 N -0.17 3.67 -1.29 2.72 6.06 -1.19 -4.25 118.95 124.50 1kfy s ARG 490 Ca 0.10 -0.48 -0.14 0.00 -2.50 0.00 0.00 55.73 52.70 1kfy s ARG 490 Cb -0.12 -3.23 0.12 0.00 0.06 0.00 0.00 34.95 31.78 1kfy s ARG 490 CO 0.01 -0.09 1.74 -0.89 -2.50 0.00 0.00 175.30 173.57 1kfy n ILE 491 N 4.60 4.05 0.30 4.11 5.41 -1.26 -4.86 119.36 131.71 1kfy n ILE 491 Ca -0.17 -4.20 0.09 0.00 1.00 0.00 0.00 62.75 59.47 1kfy n ILE 491 Cb 0.52 -2.43 0.46 0.00 -0.71 0.00 0.00 39.64 37.48 1kfy n ILE 491 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1kfy h THR 492 N 4.65 0.00 -3.46 1.39 2.02 -1.96 -3.37 112.91 112.19 1kfy h THR 492 Ca 0.41 0.00 -0.67 0.00 0.77 0.00 0.00 66.41 66.92 1kfy h THR 492 Cb 0.79 0.38 -0.17 0.00 -1.74 0.00 0.00 68.15 67.41 1kfy h THR 492 CO 1.49 0.00 0.04 -0.62 0.37 0.00 0.00 175.52 176.80 1kfy s ASP 493 N -3.75 6.26 -0.10 4.18 2.15 -1.26 -4.89 116.67 119.27 1kfy s ASP 493 Ca -0.02 -0.60 0.18 0.00 0.43 0.00 0.00 52.55 52.55 1kfy s ASP 493 Cb 0.05 -2.29 0.68 0.00 -0.30 0.00 0.00 42.92 41.06 1kfy s ASP 493 CO 0.15 -0.79 1.59 0.35 -0.17 0.00 0.00 175.17 176.31 1kfy n THR 494 N 5.70 1.72 -0.71 1.71 -2.24 -1.26 -4.76 114.28 114.44 1kfy n THR 494 Ca -0.04 -1.20 -0.13 0.00 -2.27 0.00 0.00 64.05 60.41 1kfy n THR 494 Cb 0.47 0.17 0.11 0.00 -2.10 0.00 0.00 70.33 68.98 1kfy n THR 494 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1kfy n SER 495 N 1.06 -1.51 0.00 3.42 7.64 -1.26 -5.04 113.62 117.93 1kfy n SER 495 Ca 0.25 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.36 1kfy n SER 495 Cb 0.84 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1kfy n SER 495 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1kfy n SER 496 N -3.81 0.52 -4.52 6.43 7.64 -1.26 -4.88 113.62 113.75 1kfy n SER 496 Ca 0.06 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.51 1kfy n SER 496 Cb 0.25 0.10 -0.06 0.00 -1.01 0.00 0.00 64.21 63.49 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 -0.29 4.68 -1.03 0.44 1.01 -1.25 -2.63 120.40 121.32 1kfy s VAL 497 Ca 0.00 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.00 1kfy s VAL 497 Cb 0.00 -4.33 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1kfy s VAL 497 CO 0.00 -0.76 0.66 0.33 0.00 0.00 0.00 175.10 175.33 1kfy n PHE 498 N 6.65 -1.78 -2.93 5.22 7.35 -0.44 -4.87 117.46 126.67 1kfy n PHE 498 Ca 0.00 0.46 -0.43 0.00 -0.76 0.00 0.00 57.45 56.72 1kfy n PHE 498 Cb 0.48 -2.90 -0.04 0.00 0.35 0.00 0.00 39.48 37.36 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 -3.28 6.21 0.22 -2.13 3.04 -1.26 -4.87 114.94 112.87 1kfy s ASN 499 Ca 0.27 -0.92 0.12 0.00 0.04 0.00 0.00 52.86 52.37 1kfy s ASN 499 Cb -0.14 -2.39 0.01 0.00 -1.54 0.00 0.00 41.25 37.19 1kfy s ASN 499 CO 0.92 -1.29 1.41 0.71 -3.04 0.00 0.00 177.10 175.81 1kfy h THR 500 N 5.96 1.23 -0.71 -5.21 1.35 -1.96 -3.21 112.91 110.36 1kfy h THR 500 Ca -0.28 -2.65 0.09 0.00 -0.55 0.00 0.00 66.41 63.02 1kfy h THR 500 Cb 1.08 2.55 -0.07 0.00 -1.73 0.00 0.00 68.15 69.97 1kfy h THR 500 CO 1.13 0.68 0.36 -0.78 -0.25 0.00 0.00 175.52 176.66 1kfy h ASP 501 N 0.00 0.49 -0.07 5.36 3.58 -1.94 0.69 116.42 124.53 1kfy h ASP 501 Ca -0.01 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1kfy h ASP 501 Cb 1.49 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.51 1kfy h ASP 501 CO 0.09 0.29 -0.01 0.25 -2.88 0.00 0.00 179.24 176.98 1kfy h LEU 502 N 0.63 0.13 -0.40 2.28 5.85 -1.86 -2.76 115.31 119.18 1kfy h LEU 502 Ca 0.34 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1kfy h LEU 502 Cb 0.34 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1kfy h LEU 502 CO -0.25 0.44 0.27 -0.07 -0.34 0.00 0.00 178.44 178.48 1kfy h LEU 503 N -0.19 0.46 -0.94 2.25 3.38 -1.32 -1.23 115.31 117.72 1kfy h LEU 503 Ca 0.02 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1kfy h LEU 503 Cb 0.38 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1kfy h LEU 503 CO 0.01 0.33 0.24 1.88 0.09 0.00 0.00 178.44 180.99 1kfy h TYR 504 N 0.55 1.03 -0.14 1.13 0.99 0.30 -1.77 116.97 119.05 1kfy h TYR 504 Ca 0.15 -0.08 -0.10 0.00 2.00 0.00 0.00 58.73 60.70 1kfy h TYR 504 Cb -0.06 -0.31 -0.01 0.00 1.00 0.00 0.00 36.73 37.35 1kfy h TYR 504 CO -0.05 0.81 -0.35 1.15 -0.00 0.00 0.00 178.16 179.72 1kfy h THR 505 N 0.98 1.28 -0.14 -2.88 2.02 -1.13 0.21 112.91 113.27 1kfy h THR 505 Ca 0.22 -1.38 -0.03 0.00 0.77 0.00 0.00 66.41 65.99 1kfy h THR 505 Cb 0.24 1.56 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1kfy h THR 505 CO -0.01 0.42 -0.03 0.40 0.37 0.00 0.00 175.52 176.66 1kfy h ILE 506 N 0.25 1.29 -0.81 3.11 2.04 -0.79 -2.46 117.51 120.14 1kfy h ILE 506 Ca 0.03 -0.97 0.08 0.00 1.00 0.00 0.00 64.86 65.01 1kfy h ILE 506 Cb 0.74 1.64 -0.07 0.00 -0.74 0.00 0.00 36.82 38.39 1kfy h ILE 506 CO 0.06 0.28 0.47 -0.33 0.00 0.00 0.00 178.15 178.63 1kfy h GLU 507 N -0.03 0.78 -0.93 2.37 5.08 -0.99 0.42 114.58 121.28 1kfy h GLU 507 Ca 0.04 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1kfy h GLU 507 Cb 0.45 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 1kfy h GLU 507 CO 0.01 0.52 0.60 1.25 -1.00 0.00 0.00 179.01 180.39 1kfy h LEU 508 N 0.81 0.88 0.22 1.33 5.85 -0.78 -1.69 115.31 121.92 1kfy h LEU 508 Ca 0.38 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.11 1kfy h LEU 508 Cb 0.30 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1kfy h LEU 508 CO -0.22 0.53 -0.13 1.23 -0.34 0.00 0.00 178.44 179.50 1kfy h GLY 509 N 0.98 -0.34 1.43 3.75 0.00 -0.44 -1.96 103.07 106.48 1kfy h GLY 509 Ca 0.42 0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.93 1kfy h GLY 509 CO -0.18 -0.14 0.31 0.45 0.00 0.00 0.00 176.54 176.98 1kfy h HIS 510 N -0.34 0.50 -0.15 5.60 3.86 -1.10 -2.13 115.15 121.39 1kfy h HIS 510 Ca -0.02 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1kfy h HIS 510 Cb 0.28 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1kfy h HIS 510 CO -0.09 0.29 0.02 0.78 0.86 0.00 0.00 177.93 179.79 1kfy h GLY 511 N 0.52 0.27 0.61 2.45 0.00 -0.97 -0.46 103.07 105.49 1kfy h GLY 511 Ca 0.19 -0.18 0.09 0.00 0.00 0.00 0.00 47.33 47.42 1kfy h GLY 511 CO -0.05 0.17 0.60 1.41 0.00 0.00 0.00 176.54 178.68 1kfy h LEU 512 N 0.02 0.92 -0.30 3.11 3.38 -0.72 0.78 115.31 122.50 1kfy h LEU 512 Ca 0.04 0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 1kfy h LEU 512 Cb 0.32 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1kfy h LEU 512 CO 0.00 0.55 -0.53 0.78 0.09 0.00 0.00 178.44 179.33 1kfy h ASN 513 N 1.03 0.98 0.05 -0.43 2.35 -1.29 -2.75 115.58 115.52 1kfy h ASN 513 Ca 0.44 -0.53 -0.12 0.00 -0.55 0.00 0.00 56.30 55.55 1kfy h ASN 513 Cb 0.31 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1kfy h ASN 513 CO -0.22 1.32 -0.38 0.58 -1.65 0.00 0.00 177.43 177.09 1kfy h VAL 514 N 0.67 1.30 -0.40 2.81 2.07 -0.05 -2.82 116.25 119.83 1kfy h VAL 514 Ca 0.02 -1.50 0.02 0.00 0.82 0.00 0.00 66.70 66.06 1kfy h VAL 514 Cb 1.14 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1kfy h VAL 514 CO 0.12 0.46 0.24 0.00 0.02 0.00 0.00 177.57 178.41 1kfy h ALA 515 N 1.23 0.50 -0.70 1.67 0.00 0.62 -2.18 119.26 120.41 1kfy h ALA 515 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1kfy h ALA 515 Cb 0.83 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1kfy h ALA 515 CO 0.07 -0.10 0.18 0.93 0.00 0.00 0.00 179.25 180.33 1kfy h GLU 516 N 0.48 1.11 -0.22 0.00 5.08 -1.38 -1.51 114.58 118.14 1kfy h GLU 516 Ca 0.16 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1kfy h GLU 516 Cb 0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1kfy h GLU 516 CO -0.07 0.97 0.07 0.00 -1.00 0.00 0.00 179.01 178.98 1kfy h MET 518 N 0.17 -0.23 0.18 0.00 2.86 -1.13 -0.63 114.93 116.15 1kfy h MET 518 Ca 0.10 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1kfy h MET 518 Cb 0.07 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1kfy h MET 518 CO -0.11 -0.15 -0.10 0.00 1.06 0.00 0.00 176.91 177.61 1kfy h ALA 519 N 0.60 -0.25 -0.77 6.32 0.00 -1.20 -0.32 119.26 123.65 1kfy h ALA 519 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1kfy h ALA 519 Cb 0.20 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1kfy h ALA 519 CO 0.01 -0.65 0.45 0.45 0.00 0.00 0.00 179.25 179.52 1kfy h HIS 520 N -0.26 1.03 -0.52 0.00 3.86 -1.21 0.10 115.15 118.14 1kfy h HIS 520 Ca -0.02 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1kfy h HIS 520 Cb 0.21 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.31 1kfy h HIS 520 CO -0.08 0.70 0.29 0.77 0.86 0.00 0.00 177.93 180.47 1kfy h SER 521 N 1.06 0.43 -0.23 2.45 0.02 -0.86 -2.16 113.55 114.25 1kfy h SER 521 Ca 0.27 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1kfy h SER 521 Cb -0.02 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1kfy h SER 521 CO -0.05 0.30 -0.04 0.00 -1.14 0.00 0.00 176.83 175.90 1kfy h ALA 522 N 1.26 0.31 -0.31 3.77 0.00 -0.55 -2.47 119.26 121.28 1kfy h ALA 522 Ca 0.22 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1kfy h ALA 522 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1kfy h ALA 522 CO -0.13 0.09 0.21 1.98 0.00 0.00 0.00 179.25 181.40 1kfy h MET 523 N 0.18 0.28 0.00 0.00 -1.53 -0.59 -2.13 114.93 111.13 1kfy h MET 523 Ca 0.06 -0.02 -0.17 0.00 -3.44 0.00 0.00 59.70 56.13 1kfy h MET 523 Cb 0.49 -0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 31.45 1kfy h MET 523 CO 0.02 0.18 -1.07 0.00 0.14 0.00 0.00 176.91 176.18 1kfy h ALA 524 N 1.83 0.62 -1.22 0.39 0.00 -1.37 -3.41 119.26 116.10 1kfy h ALA 524 Ca 0.13 -0.80 -0.56 0.00 0.00 0.00 0.00 54.91 53.68 1kfy h ALA 524 Cb 0.17 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.98 1kfy h ALA 524 CO -0.03 0.96 1.26 0.50 0.00 0.00 0.00 179.25 181.94 1kfy s ARG 525 N -2.86 3.33 -1.46 0.00 3.52 -0.80 -4.84 118.95 115.84 1kfy s ARG 525 Ca -0.00 -0.62 -0.08 0.00 -0.13 0.00 0.00 55.73 54.90 1kfy s ARG 525 Cb 0.08 -4.78 0.03 0.00 -1.56 0.00 0.00 34.95 28.72 1kfy s ARG 525 CO 0.79 -2.25 2.64 1.63 -0.81 0.00 0.00 175.30 177.30 1kfy n LYS 526 N 9.12 4.19 -3.87 5.12 5.02 -1.26 -4.81 118.16 131.67 1kfy n LYS 526 Ca 0.19 -2.89 -0.08 0.00 -2.02 0.00 0.00 58.31 53.51 1kfy n LYS 526 Cb 0.50 -2.71 -0.01 0.00 -0.02 0.00 0.00 35.03 32.79 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 0.36 1.96 -0.16 1.97 -1.05 -1.26 -4.58 118.70 115.95 1kfy s GLU 527 Ca 0.61 -1.25 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 1kfy s GLU 527 Cb 0.18 0.59 0.03 0.00 -0.44 0.00 0.00 34.13 34.49 1kfy s GLU 527 CO -0.08 -0.90 -0.12 -1.12 0.95 0.00 0.00 175.26 174.00 1kfy s SER 528 N -3.01 2.83 -0.09 0.83 0.01 -0.56 -4.40 113.70 109.32 1kfy s SER 528 Ca 0.15 -0.59 -0.06 0.00 1.31 0.00 0.00 55.95 56.77 1kfy s SER 528 Cb -0.05 -1.13 0.03 0.00 0.21 0.00 0.00 66.02 65.08 1kfy s SER 528 CO 0.10 -0.10 0.21 -0.60 0.41 0.00 0.00 173.24 173.26 1kfy s ARG 529 N 1.50 0.20 0.98 12.44 3.52 0.20 -2.74 118.95 135.06 1kfy s ARG 529 Ca 0.03 0.39 0.00 0.00 -0.13 0.00 0.00 55.73 56.02 1kfy s ARG 529 Cb -0.14 -0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.22 1kfy s ARG 529 CO -0.10 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.70 1kfy n GLY 530 N 3.68 2.59 0.33 8.12 0.00 -1.26 0.08 105.19 118.73 1kfy n GLY 530 Ca -0.20 0.10 0.21 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.12 1.09 -2.37 4.61 0.00 -1.37 -3.39 119.26 117.70 1kfy h ALA 531 Ca 0.00 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 1kfy h ALA 531 Cb 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.62 1kfy h ALA 531 CO 0.00 0.00 -0.12 -1.58 0.00 0.00 0.00 179.25 177.55 1kfy s HIS 532 N -4.20 3.15 -0.07 0.00 5.04 0.11 -4.76 115.29 114.56 1kfy s HIS 532 Ca -0.05 -0.17 0.02 0.00 -1.54 0.00 0.00 55.06 53.32 1kfy s HIS 532 Cb 0.13 -2.97 0.01 0.00 0.04 0.00 0.00 32.58 29.80 1kfy s HIS 532 CO 0.44 -0.68 -0.11 -0.65 -2.34 0.00 0.00 174.74 171.40 1kfy s GLN 533 N 2.31 1.63 0.09 2.88 -1.52 -1.26 0.62 119.66 124.41 1kfy s GLN 533 Ca 0.15 -0.38 0.07 0.00 -1.95 0.00 0.00 55.36 53.25 1kfy s GLN 533 Cb -0.16 -1.39 -0.04 0.00 -0.22 0.00 0.00 33.01 31.20 1kfy s GLN 533 CO 0.14 -0.01 -0.11 1.03 -0.25 0.00 0.00 175.29 176.10 1kfy s ARG 534 N 0.78 2.14 -0.12 2.91 0.52 -1.26 -0.44 118.95 123.49 1kfy s ARG 534 Ca -0.12 -1.01 0.16 0.00 -0.52 0.00 0.00 55.73 54.24 1kfy s ARG 534 Cb -0.15 -2.31 -0.24 0.00 0.52 0.00 0.00 34.95 32.77 1kfy s ARG 534 CO 0.02 0.52 0.36 1.28 0.02 0.00 0.00 175.30 177.50 1kfy n LEU 535 N 0.82 0.40 -4.77 2.53 4.77 -0.43 -3.89 117.00 116.43 1kfy n LEU 535 Ca -0.14 0.19 -0.41 0.00 -0.03 0.00 0.00 56.01 55.62 1kfy n LEU 535 Cb 0.52 0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.94 1kfy n LEU 535 CO 0.32 0.42 1.15 1.51 -1.33 0.00 0.00 177.39 179.47 1kfy s ASP 536 N -5.73 6.41 0.30 -1.43 -4.77 -1.26 -4.72 116.67 105.47 1kfy s ASP 536 Ca -0.07 2.97 -0.29 0.00 -3.30 0.00 0.00 52.55 51.85 1kfy s ASP 536 Cb 0.07 -2.66 -0.11 0.00 -1.09 0.00 0.00 42.92 39.14 1kfy s ASP 536 CO 0.83 -0.84 1.49 -1.83 0.70 0.00 0.00 175.17 175.52 1kfy s GLU 537 N -1.56 4.19 0.00 2.11 -1.05 -1.26 -1.95 118.70 119.18 1kfy s GLU 537 Ca 0.55 2.45 0.00 0.00 -0.15 0.00 0.00 54.97 57.83 1kfy s GLU 537 Cb -0.46 -3.04 0.00 0.00 -0.44 0.00 0.00 34.13 30.19 1kfy s GLU 537 CO 0.57 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.69 1kfy n GLY 538 N 1.68 0.72 0.00 -3.83 0.00 -1.26 -4.83 105.19 97.67 1kfy n GLY 538 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.54 1.61 -4.47 0.00 -2.24 -1.14 -1.49 114.28 106.01 1kfy n THR 540 Ca 0.00 0.41 -0.22 0.00 -2.27 0.00 0.00 64.05 61.97 1kfy n THR 540 Cb 0.00 -1.41 -0.10 0.00 -2.10 0.00 0.00 70.33 66.72 1kfy n THR 540 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1kfy s GLU 541 N -2.81 1.69 -0.02 -0.78 -1.05 -1.26 -4.72 118.70 109.76 1kfy s GLU 541 Ca 0.00 -1.95 -0.30 0.00 -0.15 0.00 0.00 54.97 52.57 1kfy s GLU 541 Cb 0.00 -0.91 -0.04 0.00 -0.44 0.00 0.00 34.13 32.75 1kfy s GLU 541 CO 0.00 -0.20 1.12 0.50 0.95 0.00 0.00 175.26 177.63 1kfy s ARG 542 N -3.87 4.43 -0.75 -4.83 3.52 -1.11 -1.65 118.95 114.69 1kfy s ARG 542 Ca 0.35 1.60 -0.02 0.00 -0.13 0.00 0.00 55.73 57.53 1kfy s ARG 542 Cb 0.08 -3.48 0.19 0.00 -1.56 0.00 0.00 34.95 30.19 1kfy s ARG 542 CO 0.15 -0.29 0.60 0.34 -0.81 0.00 0.00 175.30 175.30 1kfy s ASP 543 N 1.20 5.60 0.00 -2.12 -1.08 -1.26 -4.92 116.67 114.09 1kfy s ASP 543 Ca 0.55 -3.27 0.06 0.00 -0.52 0.00 0.00 52.55 49.37 1kfy s ASP 543 Cb -0.24 -1.88 0.33 0.00 -1.46 0.00 0.00 42.92 39.66 1kfy s ASP 543 CO 0.25 -0.28 1.22 0.47 0.52 0.00 0.00 175.17 177.34 1kfy n ASP 544 N 2.94 0.20 -0.06 -0.34 9.92 -1.26 -1.36 116.55 126.59 1kfy n ASP 544 Ca 0.14 -1.84 -0.07 0.00 -0.53 0.00 0.00 54.79 52.49 1kfy n ASP 544 Cb 0.38 -0.02 -0.08 0.00 -0.64 0.00 0.00 41.12 40.76 1kfy n ASP 544 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1kfy n VAL 545 N -0.46 0.76 -0.04 2.53 0.31 -1.26 -4.49 118.33 115.68 1kfy n VAL 545 Ca 0.05 -0.40 -0.04 0.00 -0.01 0.00 0.00 64.34 63.94 1kfy n VAL 545 Cb 0.05 -0.82 -0.06 0.00 -0.91 0.00 0.00 33.84 32.10 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 -2.59 3.06 -0.31 4.52 5.03 -1.22 -4.77 115.26 118.97 1kfy n ASN 546 Ca -0.20 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.33 1kfy n ASN 546 Cb 0.82 0.72 0.17 0.00 -1.02 0.00 0.00 39.78 40.47 1kfy n ASN 546 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1kfy n PHE 547 N -2.27 0.11 -1.71 3.10 3.01 -0.47 -4.83 117.46 114.41 1kfy n PHE 547 Ca -0.12 -1.15 -0.41 0.00 1.01 0.00 0.00 57.45 56.77 1kfy n PHE 547 Cb 0.74 -0.20 -0.01 0.00 -0.01 0.00 0.00 39.48 40.00 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 -1.28 7.27 -3.81 4.37 7.94 -1.20 -4.80 117.00 125.50 1kfy n LEU 548 Ca 0.18 -4.25 -0.08 0.00 -1.11 0.00 0.00 56.01 50.74 1kfy n LEU 548 Cb 0.69 -1.62 -0.03 0.00 0.53 0.00 0.00 43.42 42.99 1kfy n LEU 548 CO 0.01 1.36 0.38 -1.59 -1.11 0.00 0.00 177.39 176.44 1kfy s LYS 549 N 2.62 1.61 0.23 1.96 -2.85 -1.26 -4.24 119.74 117.82 1kfy s LYS 549 Ca 0.51 -0.94 -0.09 0.00 -1.00 0.00 0.00 55.97 54.44 1kfy s LYS 549 Cb 0.15 0.57 -0.07 0.00 -2.06 0.00 0.00 37.83 36.41 1kfy s LYS 549 CO -0.08 -0.72 0.54 -1.01 0.10 0.00 0.00 175.35 174.19 1kfy s HIS 550 N -3.91 3.43 -0.17 1.78 3.76 0.62 -4.88 115.29 115.92 1kfy s HIS 550 Ca 0.11 0.86 -0.13 0.00 -0.15 0.00 0.00 55.06 55.75 1kfy s HIS 550 Cb -0.04 -2.25 -0.05 0.00 1.11 0.00 0.00 32.58 31.36 1kfy s HIS 550 CO 0.03 0.27 0.27 0.99 -0.85 0.00 0.00 174.74 175.45 1kfy s THR 551 N -1.82 5.32 -0.22 1.30 2.01 -1.26 -2.13 115.64 118.84 1kfy s THR 551 Ca 0.47 0.50 -0.01 0.00 0.31 0.00 0.00 61.69 62.96 1kfy s THR 551 Cb -0.11 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.81 1kfy s THR 551 CO 0.21 0.39 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.67 1kfy s LEU 552 N 0.46 2.81 -0.04 4.42 1.43 -0.62 -0.13 118.68 127.00 1kfy s LEU 552 Ca 0.15 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1kfy s LEU 552 Cb -0.13 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1kfy s LEU 552 CO 0.03 -0.07 0.08 0.00 0.23 0.00 0.00 176.35 176.62 1kfy s ALA 553 N 1.33 3.61 -0.03 4.21 0.00 -0.87 -1.26 121.76 128.74 1kfy s ALA 553 Ca 0.02 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1kfy s ALA 553 Cb -0.15 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.32 1kfy s ALA 553 CO -0.07 0.66 -0.09 -0.06 0.00 0.00 0.00 175.76 176.20 1kfy s PHE 554 N -1.12 0.98 -0.95 0.00 0.40 -0.35 -2.06 117.98 114.88 1kfy s PHE 554 Ca 0.20 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.25 1kfy s PHE 554 Cb -0.12 -0.71 0.27 0.00 0.51 0.00 0.00 43.02 42.97 1kfy s PHE 554 CO 0.10 -0.12 1.09 -2.13 0.70 0.00 0.00 175.22 174.87 1kfy n ARG 555 N 3.37 3.45 -1.53 0.44 3.00 -1.26 -1.24 116.66 122.89 1kfy n ARG 555 Ca -0.19 -4.54 -0.42 0.00 -0.00 0.00 0.00 57.85 52.70 1kfy n ARG 555 Cb 0.54 -2.44 0.01 0.00 0.00 0.00 0.00 32.46 30.56 1kfy n ARG 555 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1kfy n ASP 556 N 1.73 0.21 -0.09 6.15 8.00 -1.06 -4.68 116.55 126.80 1kfy n ASP 556 Ca 0.25 0.99 0.24 0.00 0.71 0.00 0.00 54.79 56.99 1kfy n ASP 556 Cb 0.37 -1.22 0.51 0.00 -0.02 0.00 0.00 41.12 40.75 1kfy n ASP 556 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kfy h ALA 557 N 1.21 2.66 0.00 2.24 0.00 -1.92 0.58 119.26 124.03 1kfy h ALA 557 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1kfy h ALA 557 Cb 1.37 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1kfy h ALA 557 CO 0.55 -1.39 0.00 -0.40 0.00 0.00 0.00 179.25 178.00 1kfy n ASP 558 N -3.31 0.00 -0.03 0.00 5.75 -1.26 -4.85 116.55 112.85 1kfy n ASP 558 Ca 0.17 -0.35 -0.00 0.00 -0.01 0.00 0.00 54.79 54.60 1kfy n ASP 558 Cb 1.24 -0.09 -0.00 0.00 -1.03 0.00 0.00 41.12 41.23 1kfy n ASP 558 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kfy n GLY 559 N 0.10 0.47 3.69 6.12 0.00 0.20 -5.04 105.19 110.74 1kfy n GLY 559 Ca 0.11 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.94 4.03 -0.03 2.61 -4.23 -1.23 -4.97 115.64 109.88 1kfy s THR 560 Ca 0.00 -0.98 -0.13 0.00 -1.18 0.00 0.00 61.69 59.40 1kfy s THR 560 Cb 0.00 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.87 1kfy s THR 560 CO 0.00 0.12 0.35 -0.89 -0.54 0.00 0.00 174.62 173.66 1kfy s THR 561 N -1.31 5.14 -0.01 3.99 2.01 -1.26 -2.56 115.64 121.64 1kfy s THR 561 Ca 0.26 0.69 0.02 0.00 0.31 0.00 0.00 61.69 62.97 1kfy s THR 561 Cb -0.12 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 1kfy s THR 561 CO 0.18 0.58 -0.07 -0.60 -0.69 0.00 0.00 174.62 174.03 1kfy s ARG 562 N -1.03 0.60 0.17 4.92 3.00 -0.37 -4.98 118.95 121.26 1kfy s ARG 562 Ca 0.22 -0.24 0.06 0.00 -1.00 0.00 0.00 55.73 54.77 1kfy s ARG 562 Cb -0.16 -0.59 -0.04 0.00 0.00 0.00 0.00 34.95 34.17 1kfy s ARG 562 CO 0.11 0.13 0.07 -0.51 0.00 0.00 0.00 175.30 175.10 1kfy s LEU 563 N -0.04 3.57 0.33 -0.88 1.43 -1.26 -1.21 118.68 120.62 1kfy s LEU 563 Ca 0.01 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1kfy s LEU 563 Cb -0.04 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1kfy s LEU 563 CO -0.00 0.08 0.47 -1.61 0.23 0.00 0.00 176.35 175.51 1kfy s GLU 564 N -3.04 1.86 0.17 1.70 2.02 -0.39 -5.01 118.70 116.01 1kfy s GLU 564 Ca 0.29 -1.71 -0.04 0.00 0.02 0.00 0.00 54.97 53.53 1kfy s GLU 564 Cb -0.10 0.44 -0.03 0.00 0.10 0.00 0.00 34.13 34.55 1kfy s GLU 564 CO 0.21 -0.77 0.18 0.71 0.02 0.00 0.00 175.26 175.61 1kfy s TYR 565 N -3.16 0.75 0.12 1.61 1.51 -1.26 -1.59 117.35 115.33 1kfy s TYR 565 Ca 0.30 -1.08 -0.19 0.00 -1.01 0.00 0.00 57.07 55.09 1kfy s TYR 565 Cb -0.00 -0.31 0.05 0.00 -0.11 0.00 0.00 41.96 41.58 1kfy s TYR 565 CO 0.19 -0.65 0.47 -1.54 -1.11 0.00 0.00 175.55 172.92 1kfy s SER 566 N -3.05 -0.36 0.41 2.29 1.04 -0.90 -4.91 113.70 108.23 1kfy s SER 566 Ca 0.25 -0.15 -0.25 0.00 0.48 0.00 0.00 55.95 56.29 1kfy s SER 566 Cb 0.05 0.51 -0.08 0.00 0.10 0.00 0.00 66.02 66.60 1kfy s SER 566 CO 0.04 -0.86 1.20 -1.81 0.98 0.00 0.00 173.24 172.79 1kfy s ASP 567 N -2.65 6.41 -0.65 7.02 1.01 -1.26 -0.28 116.67 126.28 1kfy s ASP 567 Ca 0.01 2.40 -0.15 0.00 0.71 0.00 0.00 52.55 55.52 1kfy s ASP 567 Cb 0.01 -2.62 0.16 0.00 1.01 0.00 0.00 42.92 41.48 1kfy s ASP 567 CO -0.11 -0.76 0.60 -0.69 0.21 0.00 0.00 175.17 174.42 1kfy s VAL 568 N -1.40 5.32 0.10 -1.27 1.01 -1.26 -4.75 120.40 118.15 1kfy s VAL 568 Ca 0.58 -1.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.37 1kfy s VAL 568 Cb -0.32 -4.37 -0.09 0.00 0.00 0.00 0.00 36.38 31.60 1kfy s VAL 568 CO 0.40 -0.93 1.74 -0.75 0.00 0.00 0.00 175.10 175.56 1kfy s LYS 569 N 1.05 4.17 0.25 2.72 2.20 -1.26 -5.00 119.74 123.86 1kfy s LYS 569 Ca 0.09 2.47 0.07 0.00 -0.36 0.00 0.00 55.97 58.23 1kfy s LYS 569 Cb -0.22 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1kfy s LYS 569 CO -0.02 -0.79 0.22 0.42 -0.36 0.00 0.00 175.35 174.82 1kfy s ILE 570 N 2.67 4.53 0.00 5.43 -1.09 -1.26 -2.83 121.20 128.65 1kfy s ILE 570 Ca 0.77 -1.35 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 1kfy s ILE 570 Cb -0.43 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1kfy s ILE 570 CO 0.34 -0.34 0.00 0.41 -1.23 0.00 0.00 174.94 174.12 1kfy n THR 571 N -1.21 0.00 -0.25 2.92 -1.04 -1.26 -4.90 114.28 108.53 1kfy n THR 571 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1kfy n THR 571 Cb 0.58 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 1kfy n THR 571 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1kfy n THR 572 N -1.26 0.48 -3.69 12.58 5.66 -1.26 -4.92 114.28 121.87 1kfy n THR 572 Ca 0.00 -0.61 -0.29 0.00 -3.05 0.00 0.00 64.05 60.09 1kfy n THR 572 Cb 0.00 0.85 -0.13 0.00 -1.55 0.00 0.00 70.33 69.50 1kfy n THR 572 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1kfy s LEU 573 N -0.48 2.52 0.53 1.09 2.96 -1.26 -5.12 118.68 118.92 1kfy s LEU 573 Ca 0.00 -2.55 -0.19 0.00 -0.22 0.00 0.00 54.13 51.17 1kfy s LEU 573 Cb 0.00 -0.97 -0.07 0.00 0.50 0.00 0.00 46.19 45.65 1kfy s LEU 573 CO 0.00 -0.28 1.09 -2.84 -1.32 0.00 0.00 176.35 173.00 1kfy s PRO 574 N 0.46 3.51 -0.63 0.98 0.02 -1.26 -4.98 135.00 133.11 1kfy s PRO 574 Ca 0.17 1.47 -0.26 0.00 0.02 0.00 0.00 61.00 62.40 1kfy s PRO 574 Cb -0.24 -2.04 0.04 0.00 0.02 0.00 0.00 34.50 32.27 1kfy s PRO 574 CO -0.00 -0.69 1.13 -1.25 -0.33 0.00 0.00 177.00 175.86 1kfy s PRO 575 N -3.35 3.32 0.00 5.54 0.04 -1.26 -5.15 135.00 134.14 1kfy s PRO 575 Ca 0.70 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1kfy s PRO 575 Cb -0.20 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1kfy s PRO 575 CO 0.25 -1.79 0.00 0.00 0.04 0.00 0.00 177.00 175.50