#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfp s ASN 2 N 0.00 5.85 0.17 6.12 2.47 -1.26 -4.55 114.94 123.74 2kfp s ASN 2 Ca 0.00 -0.20 -0.13 0.00 0.42 0.00 0.00 52.86 52.95 2kfp s ASN 2 Cb 0.00 -1.35 0.08 0.00 -1.45 0.00 0.00 41.25 38.52 2kfp s ASN 2 CO 0.00 -0.27 1.80 -0.09 -3.72 0.00 0.00 177.10 174.81 2kfp h ARG 3 N 1.12 0.79 -1.00 0.43 2.43 -2.00 -2.38 114.38 113.77 2kfp h ARG 3 Ca -0.47 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 58.65 2kfp h ARG 3 Cb 1.25 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.58 2kfp h ARG 3 CO 0.57 0.59 0.66 0.37 -1.51 0.00 0.00 179.97 180.65 2kfp h GLN 4 N 0.77 1.25 -0.57 0.20 5.75 -2.00 -1.73 115.11 118.78 2kfp h GLN 4 Ca 0.20 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.57 2kfp h GLN 4 Cb 0.02 -0.28 -0.03 0.00 1.07 0.00 0.00 27.48 28.26 2kfp h GLN 4 CO -0.04 0.83 0.12 1.96 -2.65 0.00 0.00 178.83 179.05 2kfp h GLN 5 N 1.29 0.89 -0.59 1.69 4.20 -1.84 -1.99 115.11 118.75 2kfp h GLN 5 Ca 0.39 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 2kfp h GLN 5 Cb -0.03 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 2kfp h GLN 5 CO -0.12 0.81 0.35 0.35 -0.67 0.00 0.00 178.83 179.55 2kfp h PHE 6 N 0.85 0.78 -0.42 2.96 3.57 -0.86 -0.46 116.94 123.36 2kfp h PHE 6 Ca 0.18 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 2kfp h PHE 6 Cb 0.33 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2kfp h PHE 6 CO 0.02 0.54 0.11 0.82 -2.23 0.00 0.00 178.31 177.57 2kfp h ILE 7 N 0.80 1.23 -0.55 1.41 1.08 -1.14 -0.75 117.51 119.59 2kfp h ILE 7 Ca 0.21 -0.77 -0.00 0.00 -0.39 0.00 0.00 64.86 63.91 2kfp h ILE 7 Cb -0.01 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 2kfp h ILE 7 CO -0.04 0.27 0.33 0.44 -0.69 0.00 0.00 178.15 178.47 2kfp h ASP 8 N 0.54 0.65 -0.11 1.72 3.32 -1.00 0.67 116.42 122.21 2kfp h ASP 8 Ca 0.13 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2kfp h ASP 8 Cb 0.30 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2kfp h ASP 8 CO -0.00 0.51 0.04 0.22 -1.72 0.00 0.00 179.24 178.29 2kfp h TYR 9 N 0.74 0.17 -0.50 4.55 3.20 -0.89 0.29 116.97 124.53 2kfp h TYR 9 Ca 0.20 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 2kfp h TYR 9 Cb -0.02 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2kfp h TYR 9 CO -0.03 0.28 -0.15 0.00 -1.64 0.00 0.00 178.16 176.63 2kfp h ALA 10 N 0.87 0.80 -0.00 1.82 0.00 -0.90 0.31 119.26 122.16 2kfp h ALA 10 Ca 0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kfp h ALA 10 Cb 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kfp h ALA 10 CO -0.00 0.66 -0.00 0.37 0.00 0.00 0.00 179.25 180.28 2kfp h GLN 11 N 0.85 0.01 -0.12 0.00 5.75 0.52 0.87 115.11 122.99 2kfp h GLN 11 Ca 0.13 -0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.57 2kfp h GLN 11 Cb 0.70 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 2kfp h GLN 11 CO 0.05 0.43 -0.18 -0.22 -2.65 0.00 0.00 178.83 176.27 2kfp h LYS 12 N -0.41 0.19 0.18 1.69 3.64 -0.42 2.31 116.57 123.75 2kfp h LYS 12 Ca 0.00 -0.05 -0.33 0.00 -1.27 0.00 0.00 60.65 59.00 2kfp h LYS 12 Cb 0.43 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2kfp h LYS 12 CO 0.00 0.37 -1.59 -0.22 -2.27 0.00 0.00 179.45 175.74 2kfp h LYS 13 N 0.18 0.38 0.00 1.90 3.64 -0.78 -3.40 116.57 118.49 2kfp h LYS 13 Ca 0.03 -0.65 -0.01 0.00 -1.27 0.00 0.00 60.65 58.75 2kfp h LYS 13 Cb 0.42 0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2kfp h LYS 13 CO 0.03 1.28 -1.18 0.66 -2.27 0.00 0.00 179.45 177.97 2kfp n TYR 14 N -3.58 0.00 -3.09 1.91 4.01 0.30 -5.02 117.16 111.70 2kfp n TYR 14 Ca -0.19 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.35 2kfp n TYR 14 Cb 1.07 -0.10 0.04 0.00 -0.31 0.00 0.00 39.34 40.05 2kfp n TYR 14 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2kfp n ASP 15 N -1.70 -5.62 -4.40 7.72 -0.08 0.78 -4.98 116.55 108.26 2kfp n ASP 15 Ca -0.01 -0.32 -0.33 0.00 -1.51 0.00 0.00 54.79 52.62 2kfp n ASP 15 Cb 0.17 -4.38 -0.14 0.00 2.34 0.00 0.00 41.12 39.11 2kfp n ASP 15 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2kfp s THR 16 N -3.16 2.93 0.37 5.18 -1.32 -1.26 -5.03 115.64 113.35 2kfp s THR 16 Ca 0.34 -0.74 -0.15 0.00 -1.21 0.00 0.00 61.69 59.94 2kfp s THR 16 Cb -0.15 -2.18 -0.08 0.00 -1.51 0.00 0.00 72.50 68.58 2kfp s THR 16 CO 0.43 0.56 0.79 -0.54 -2.21 0.00 0.00 174.62 173.65 2kfp s LYS 17 N -0.16 3.96 0.49 7.08 1.02 -1.26 -4.63 119.74 126.25 2kfp s LYS 17 Ca -0.01 0.69 -0.22 0.00 0.02 0.00 0.00 55.97 56.45 2kfp s LYS 17 Cb -0.14 -2.36 -0.06 0.00 -0.52 0.00 0.00 37.83 34.75 2kfp s LYS 17 CO 0.03 0.04 1.23 -1.25 -0.92 0.00 0.00 175.35 174.49 2kfp s PRO 18 N -3.33 3.53 0.19 -1.68 0.04 -1.26 -4.92 135.00 127.57 2kfp s PRO 18 Ca 0.55 1.93 0.09 0.00 0.04 0.00 0.00 61.00 63.62 2kfp s PRO 18 Cb -0.10 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 2kfp s PRO 18 CO 0.22 -0.78 -0.11 -0.51 0.04 0.00 0.00 177.00 175.85 2kfp s ASP 19 N -1.22 4.12 -0.37 6.66 1.01 -1.03 -4.83 116.67 121.01 2kfp s ASP 19 Ca 0.67 -0.65 0.02 0.00 0.71 0.00 0.00 52.55 53.29 2kfp s ASP 19 Cb -0.33 -0.64 0.15 0.00 1.01 0.00 0.00 42.92 43.11 2kfp s ASP 19 CO 0.39 0.09 0.30 -1.38 0.21 0.00 0.00 175.17 174.79 2kfp s HIS 20 N -1.80 0.34 -0.55 4.23 -3.43 -1.26 -1.41 115.29 111.41 2kfp s HIS 20 Ca 0.25 -1.42 0.25 0.00 -0.80 0.00 0.00 55.06 53.34 2kfp s HIS 20 Cb -0.08 -0.69 0.90 0.00 -1.43 0.00 0.00 32.58 31.27 2kfp s HIS 20 CO 0.15 -0.89 1.75 -1.00 -2.00 0.00 0.00 174.74 172.75 2kfp h PRO 21 N 6.75 0.00 -4.53 -0.38 0.13 -1.91 -3.41 132.00 128.65 2kfp h PRO 21 Ca 0.09 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.51 2kfp h PRO 21 Cb 0.99 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.91 2kfp h PRO 21 CO 0.25 0.00 -0.45 1.67 -0.23 0.00 0.00 178.00 179.24 2kfp s TRP 22 N -3.24 3.24 0.28 1.56 -2.14 -1.26 -4.93 118.94 112.45 2kfp s TRP 22 Ca 0.07 -0.62 0.04 0.00 2.66 0.00 0.00 56.10 58.25 2kfp s TRP 22 Cb 0.10 -2.56 0.42 0.00 -3.10 0.00 0.00 33.47 28.34 2kfp s TRP 22 CO 0.50 -0.58 1.70 1.05 -2.66 0.00 0.00 176.95 176.96 2kfp h GLU 23 N 8.59 0.36 0.00 3.25 4.11 -2.02 -1.93 114.58 126.94 2kfp h GLU 23 Ca -0.27 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2kfp h GLU 23 Cb 1.12 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2kfp h GLU 23 CO 0.71 0.67 0.00 1.63 0.07 0.00 0.00 179.01 182.09 2kfp n LYS 24 N -4.07 0.29 -3.19 1.06 5.02 -1.26 -3.62 118.16 112.40 2kfp n LYS 24 Ca -0.01 0.07 -0.22 0.00 -2.02 0.00 0.00 58.31 56.13 2kfp n LYS 24 Cb 0.45 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 2kfp n LYS 24 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2kfp n PHE 25 N -1.12 -1.19 0.40 2.13 3.01 -0.73 -4.95 117.46 115.02 2kfp n PHE 25 Ca 0.08 -3.09 0.13 0.00 1.01 0.00 0.00 57.45 55.57 2kfp n PHE 25 Cb 0.06 0.24 0.50 0.00 -0.01 0.00 0.00 39.48 40.27 2kfp n PHE 25 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2kfp h PRO 26 N 4.71 0.00 -0.00 -1.08 0.13 -1.66 -2.57 132.00 131.53 2kfp h PRO 26 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2kfp h PRO 26 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2kfp h PRO 26 CO 0.37 0.00 -0.16 -0.25 -0.23 0.00 0.00 178.00 177.73 2kfp n ASP 27 N -2.42 0.65 -4.79 1.44 8.00 -1.26 -4.85 116.55 113.31 2kfp n ASP 27 Ca 0.02 -0.66 -0.38 0.00 0.71 0.00 0.00 54.79 54.49 2kfp n ASP 27 Cb 0.28 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 2kfp n ASP 27 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2kfp s TYR 28 N -2.50 3.77 -0.00 1.24 1.51 -0.97 -4.84 117.35 115.56 2kfp s TYR 28 Ca 0.27 1.53 0.04 0.00 -1.01 0.00 0.00 57.07 57.90 2kfp s TYR 28 Cb 0.20 -2.71 -0.01 0.00 -0.11 0.00 0.00 41.96 39.33 2kfp s TYR 28 CO 0.49 0.41 -0.13 0.00 -1.11 0.00 0.00 175.55 175.21 2kfp s ALA 29 N -1.36 1.09 -0.06 3.71 0.00 -1.09 -4.45 121.76 119.59 2kfp s ALA 29 Ca 0.40 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.80 2kfp s ALA 29 Cb -0.20 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.66 2kfp s ALA 29 CO 0.23 0.26 -0.17 0.08 0.00 0.00 0.00 175.76 176.16 2kfp s VAL 30 N -0.38 1.45 -0.10 0.00 1.01 -0.50 -1.26 120.40 120.62 2kfp s VAL 30 Ca 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2kfp s VAL 30 Cb -0.05 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 2kfp s VAL 30 CO -0.00 0.42 -0.04 -0.36 0.00 0.00 0.00 175.10 175.12 2kfp s PHE 31 N 0.29 3.02 -0.05 5.22 0.08 -0.65 -2.47 117.98 123.43 2kfp s PHE 31 Ca -0.10 -0.05 -0.25 0.00 0.12 0.00 0.00 56.93 56.66 2kfp s PHE 31 Cb -0.14 -1.82 0.05 0.00 -0.57 0.00 0.00 43.02 40.55 2kfp s PHE 31 CO 0.04 0.24 0.55 -0.98 -0.10 0.00 0.00 175.22 174.96 2kfp s ARG 32 N -0.42 0.90 -0.20 0.44 1.70 -1.26 -3.95 118.95 116.15 2kfp s ARG 32 Ca 0.07 0.15 -0.10 0.00 -0.47 0.00 0.00 55.73 55.38 2kfp s ARG 32 Cb -0.12 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 2kfp s ARG 32 CO 0.02 -0.26 0.12 -1.01 -1.08 0.00 0.00 175.30 173.09 2kfp s HIS 33 N -1.12 3.36 -1.31 5.89 3.76 -1.26 -4.96 115.29 119.65 2kfp s HIS 33 Ca -0.11 0.25 0.24 0.00 -0.15 0.00 0.00 55.06 55.29 2kfp s HIS 33 Cb -0.02 -2.17 1.15 0.00 1.11 0.00 0.00 32.58 32.66 2kfp s HIS 33 CO 0.07 0.22 1.78 -1.13 -0.85 0.00 0.00 174.74 174.83 2kfp n SER 34 N 3.68 0.00 -0.01 1.40 3.41 -1.26 -2.21 113.62 118.63 2kfp n SER 34 Ca -0.16 0.10 0.11 0.00 -0.26 0.00 0.00 58.87 58.66 2kfp n SER 34 Cb 0.52 -0.34 0.09 0.00 -0.26 0.00 0.00 64.21 64.22 2kfp n SER 34 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kfp n ASP 35 N -1.34 0.74 -0.05 4.04 8.00 -1.26 -4.22 116.55 122.46 2kfp n ASP 35 Ca 0.10 -0.59 -0.05 0.00 0.71 0.00 0.00 54.79 54.95 2kfp n ASP 35 Cb 0.21 0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 41.80 2kfp n ASP 35 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2kfp n ASN 36 N -1.46 2.46 -2.23 -2.24 2.85 -1.06 -4.99 115.26 108.59 2kfp n ASN 36 Ca 0.05 -0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.37 2kfp n ASN 36 Cb 0.33 0.73 -0.02 0.00 1.24 0.00 0.00 39.78 42.07 2kfp n ASN 36 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kfp n ASP 37 N -2.40 -4.40 -3.20 1.20 2.03 -0.94 -4.88 116.55 103.96 2kfp n ASP 37 Ca -0.17 0.18 0.04 0.00 0.52 0.00 0.00 54.79 55.36 2kfp n ASP 37 Cb 0.84 -3.77 -0.02 0.00 -0.72 0.00 0.00 41.12 37.45 2kfp n ASP 37 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2kfp s LYS 38 N -4.69 0.28 0.03 -0.67 2.47 -1.26 -5.13 119.74 110.78 2kfp s LYS 38 Ca 0.00 0.54 -0.11 0.00 -1.56 0.00 0.00 55.97 54.84 2kfp s LYS 38 Cb 0.00 0.31 0.04 0.00 -1.46 0.00 0.00 37.83 36.72 2kfp s LYS 38 CO 0.00 -0.26 0.53 -2.67 0.16 0.00 0.00 175.35 173.11 2kfp n TRP 39 N 5.36 -0.55 -3.59 4.03 -0.00 -1.26 -4.96 117.44 116.48 2kfp n TRP 39 Ca -0.06 -0.43 -0.00 0.00 -0.00 0.00 0.00 57.50 57.00 2kfp n TRP 39 Cb 0.53 0.21 -0.04 0.00 -0.00 0.00 0.00 31.31 32.01 2kfp n TRP 39 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 177.69 177.22 2kfp s TYR 40 N -3.32 -1.37 -0.26 -2.67 5.04 -1.26 -5.08 117.35 108.43 2kfp s TYR 40 Ca 0.12 2.25 -0.10 0.00 -2.44 0.00 0.00 57.07 56.91 2kfp s TYR 40 Cb -0.01 0.78 0.11 0.00 0.35 0.00 0.00 41.96 43.19 2kfp s TYR 40 CO 0.01 -0.69 0.57 0.00 -1.34 0.00 0.00 175.55 174.10 2kfp s ALA 41 N 2.89 -1.70 0.03 3.97 0.00 -1.25 -4.84 121.76 120.85 2kfp s ALA 41 Ca -0.03 2.05 0.01 0.00 0.00 0.00 0.00 51.96 53.99 2kfp s ALA 41 Cb -0.12 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 2kfp s ALA 41 CO -0.19 -0.78 -0.05 -0.48 0.00 0.00 0.00 175.76 174.26 2kfp s LEU 42 N 2.58 2.23 -0.10 0.00 2.34 -1.26 -1.63 118.68 122.84 2kfp s LEU 42 Ca -0.05 -0.49 0.00 0.00 0.06 0.00 0.00 54.13 53.65 2kfp s LEU 42 Cb -0.11 -0.02 0.02 0.00 -0.56 0.00 0.00 46.19 45.53 2kfp s LEU 42 CO -0.17 -0.24 -0.09 -0.22 -1.06 0.00 0.00 176.35 174.57 2kfp s LEU 43 N -1.40 1.31 0.15 1.48 0.20 -0.38 -2.86 118.68 117.16 2kfp s LEU 43 Ca -0.12 -0.30 -0.14 0.00 0.69 0.00 0.00 54.13 54.25 2kfp s LEU 43 Cb -0.09 -0.84 0.02 0.00 -0.43 0.00 0.00 46.19 44.85 2kfp s LEU 43 CO -0.00 -0.08 0.39 0.00 -0.29 0.00 0.00 176.35 176.37 2kfp s MET 44 N 1.44 1.15 -0.35 1.98 0.23 -1.13 -2.69 119.30 119.93 2kfp s MET 44 Ca 0.00 -0.86 -0.15 0.00 -1.03 0.00 0.00 55.69 53.65 2kfp s MET 44 Cb -0.13 0.45 -0.01 0.00 -1.53 0.00 0.00 34.83 33.61 2kfp s MET 44 CO -0.05 -0.45 0.36 0.16 -2.03 0.00 0.00 175.02 173.01 2kfp s ASP 45 N -2.86 6.18 0.06 -1.18 -4.77 -1.26 -2.17 116.67 110.67 2kfp s ASP 45 Ca 0.07 -0.28 0.08 0.00 -3.30 0.00 0.00 52.55 49.12 2kfp s ASP 45 Cb 0.02 -2.20 -0.03 0.00 -1.09 0.00 0.00 42.92 39.62 2kfp s ASP 45 CO -0.07 -0.36 -0.21 0.27 0.70 0.00 0.00 175.17 175.50 2kfp s ILE 46 N 2.01 2.58 0.47 2.11 -4.36 -0.57 -4.85 121.20 118.59 2kfp s ILE 46 Ca 0.11 -1.35 -0.24 0.00 -0.26 0.00 0.00 60.65 58.91 2kfp s ILE 46 Cb -0.17 -2.09 -0.08 0.00 1.25 0.00 0.00 42.46 41.38 2kfp s ILE 46 CO 0.12 0.28 1.39 -0.81 0.24 0.00 0.00 174.94 176.16 2kfp n PRO 47 N 1.42 2.07 0.32 0.37 -0.04 -1.26 -2.21 135.00 135.67 2kfp n PRO 47 Ca -0.16 0.74 0.21 0.00 -0.04 0.00 0.00 63.50 64.25 2kfp n PRO 47 Cb 0.52 -2.59 1.07 0.00 -0.04 0.00 0.00 33.50 32.47 2kfp n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kfp h ALA 48 N 2.05 1.00 -0.84 0.55 0.00 -1.50 -2.48 119.26 118.03 2kfp h ALA 48 Ca -0.50 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2kfp h ALA 48 Cb 1.28 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2kfp h ALA 48 CO 0.60 0.00 0.50 0.93 0.00 0.00 0.00 179.25 181.28 2kfp h GLU 49 N 0.00 1.15 -0.48 0.00 5.08 -1.73 -1.54 114.58 117.06 2kfp h GLU 49 Ca 0.00 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2kfp h GLU 49 Cb 0.14 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2kfp h GLU 49 CO 0.00 0.81 0.16 0.87 -1.00 0.00 0.00 179.01 179.84 2kfp h LYS 50 N 1.16 0.74 -0.18 2.33 1.57 -1.80 -1.96 116.57 118.42 2kfp h LYS 50 Ca 0.30 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2kfp h LYS 50 Cb -0.04 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.16 2kfp h LYS 50 CO -0.06 0.69 0.00 0.44 -0.57 0.00 0.00 179.45 179.96 2kfp n ILE 51 N -4.53 0.00 -2.49 1.86 -5.35 -1.06 -4.82 119.36 102.97 2kfp n ILE 51 Ca 0.01 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.30 2kfp n ILE 51 Cb 0.18 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 37.93 2kfp n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kfp n GLY 52 N 0.29 -0.41 3.68 3.28 0.00 -0.74 -4.98 105.19 106.32 2kfp n GLY 52 Ca 0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 2kfp n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kfp s ILE 53 N -2.98 5.19 -0.86 -0.61 1.01 -0.60 -4.97 121.20 117.37 2kfp s ILE 53 Ca 0.06 0.11 -0.22 0.00 0.00 0.00 0.00 60.65 60.61 2kfp s ILE 53 Cb -0.03 -3.37 -0.19 0.00 0.01 0.00 0.00 42.46 38.88 2kfp s ILE 53 CO 0.08 0.42 1.98 -0.46 0.00 0.00 0.00 174.94 176.96 2kfp n ASN 54 N 3.74 0.74 -3.63 3.58 0.23 -1.26 -4.28 115.26 114.38 2kfp n ASN 54 Ca -0.16 -2.09 -0.04 0.00 -0.53 0.00 0.00 54.58 51.76 2kfp n ASN 54 Cb 0.52 -1.50 -0.04 0.00 -2.08 0.00 0.00 39.78 36.69 2kfp n ASN 54 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2kfp s GLY 55 N 7.18 -0.02 -0.09 4.83 0.00 -1.26 -5.02 107.32 112.94 2kfp s GLY 55 Ca 0.72 2.55 0.13 0.00 0.00 0.00 0.00 44.72 48.11 2kfp s GLY 55 CO 0.16 1.02 1.26 1.22 0.00 0.00 0.00 173.10 176.76 2kfp n ASP 56 N 0.47 3.06 -4.89 1.64 8.00 -1.26 -3.24 116.55 120.33 2kfp n ASP 56 Ca -0.01 -2.56 -0.29 0.00 0.71 0.00 0.00 54.79 52.63 2kfp n ASP 56 Cb 0.59 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 2kfp n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2kfp s LYS 57 N -1.99 3.71 0.16 -1.24 -2.85 -1.26 -4.77 119.74 111.51 2kfp s LYS 57 Ca 0.28 0.29 -0.21 0.00 -1.00 0.00 0.00 55.97 55.33 2kfp s LYS 57 Cb 0.21 -2.48 -0.08 0.00 -2.06 0.00 0.00 37.83 33.42 2kfp s LYS 57 CO 0.09 0.04 0.69 1.03 0.10 0.00 0.00 175.35 177.30 2kfp s ARG 58 N -3.79 4.33 0.07 1.78 0.52 -1.26 -1.65 118.95 118.95 2kfp s ARG 58 Ca 0.48 0.91 0.03 0.00 -0.52 0.00 0.00 55.73 56.64 2kfp s ARG 58 Cb -0.10 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.23 2kfp s ARG 58 CO 0.31 0.52 -0.09 0.14 0.02 0.00 0.00 175.30 176.20 2kfp s VAL 59 N -1.29 0.80 0.04 3.52 -7.23 -0.94 -4.92 120.40 110.38 2kfp s VAL 59 Ca 0.37 -1.44 -0.18 0.00 -1.81 0.00 0.00 61.98 58.92 2kfp s VAL 59 Cb -0.19 -1.10 -0.06 0.00 0.56 0.00 0.00 36.38 35.58 2kfp s VAL 59 CO 0.22 -0.49 0.52 -1.81 -0.31 0.00 0.00 175.10 173.23 2kfp s ASP 60 N -2.12 6.98 0.05 4.85 1.01 -1.26 -1.51 116.67 124.66 2kfp s ASP 60 Ca -0.00 1.16 0.01 0.00 0.71 0.00 0.00 52.55 54.43 2kfp s ASP 60 Cb -0.05 -2.33 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 2kfp s ASP 60 CO -0.00 0.27 -0.05 0.68 0.21 0.00 0.00 175.17 176.28 2kfp s VAL 61 N -0.99 0.40 0.04 -1.27 -7.23 -0.92 -2.18 120.40 108.23 2kfp s VAL 61 Ca 0.27 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 2kfp s VAL 61 Cb -0.18 -1.01 -0.02 0.00 0.56 0.00 0.00 36.38 35.72 2kfp s VAL 61 CO 0.17 -0.68 -0.08 0.27 -0.31 0.00 0.00 175.10 174.47 2kfp s ILE 62 N -2.57 0.60 0.31 -0.62 -4.36 -1.12 -2.85 121.20 110.59 2kfp s ILE 62 Ca -0.02 -0.94 -0.27 0.00 -0.26 0.00 0.00 60.65 59.16 2kfp s ILE 62 Cb -0.02 -0.62 -0.10 0.00 1.25 0.00 0.00 42.46 42.97 2kfp s ILE 62 CO -0.04 -0.25 0.95 -1.81 0.24 0.00 0.00 174.94 174.03 2kfp s ASP 63 N -1.30 7.39 -0.06 4.36 1.11 -1.14 -2.09 116.67 124.95 2kfp s ASP 63 Ca -0.06 1.88 0.01 0.00 0.18 0.00 0.00 52.55 54.55 2kfp s ASP 63 Cb -0.08 -2.59 0.02 0.00 1.07 0.00 0.00 42.92 41.34 2kfp s ASP 63 CO 0.00 -0.03 -0.05 -0.22 1.18 0.00 0.00 175.17 176.05 2kfp s LEU 64 N -1.87 1.22 0.10 1.23 1.98 0.94 -4.78 118.68 117.51 2kfp s LEU 64 Ca 0.48 -0.16 -0.27 0.00 -2.89 0.00 0.00 54.13 51.29 2kfp s LEU 64 Cb -0.21 -0.54 -0.06 0.00 0.66 0.00 0.00 46.19 46.04 2kfp s LEU 64 CO 0.26 -0.07 0.84 -0.75 -1.89 0.00 0.00 176.35 174.74 2kfp s LYS 65 N 1.16 4.60 0.07 1.98 2.20 -1.26 -0.09 119.74 128.39 2kfp s LYS 65 Ca -0.07 1.23 -0.09 0.00 -0.36 0.00 0.00 55.97 56.69 2kfp s LYS 65 Cb -0.14 -3.34 -0.00 0.00 -1.51 0.00 0.00 37.83 32.84 2kfp s LYS 65 CO -0.01 0.33 0.19 0.14 -0.36 0.00 0.00 175.35 175.63 2kfp s VAL 66 N -0.30 0.13 0.33 4.02 -7.23 -0.62 -4.56 120.40 112.17 2kfp s VAL 66 Ca 0.41 -1.10 -0.07 0.00 -1.81 0.00 0.00 61.98 59.41 2kfp s VAL 66 Cb -0.22 -1.21 -0.06 0.00 0.56 0.00 0.00 36.38 35.45 2kfp s VAL 66 CO 0.26 -0.61 0.64 -1.10 -0.31 0.00 0.00 175.10 173.98 2kfp s GLN 67 N -3.45 3.70 0.56 4.82 -0.21 -1.26 -4.50 119.66 119.32 2kfp s GLN 67 Ca 0.02 0.20 0.38 0.00 0.02 0.00 0.00 55.36 55.98 2kfp s GLN 67 Cb 0.03 -2.55 1.51 0.00 1.00 0.00 0.00 33.01 33.00 2kfp s GLN 67 CO -0.09 0.12 1.70 -1.35 -2.12 0.00 0.00 175.29 173.55 2kfp h PRO 68 N 1.56 0.00 0.00 2.91 0.11 -1.97 1.20 132.00 135.81 2kfp h PRO 68 Ca -0.47 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.36 2kfp h PRO 68 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 2kfp h PRO 68 CO 0.65 0.00 -1.74 -1.91 -0.21 0.00 0.00 178.00 174.79 2kfp n GLU 69 N -3.94 0.64 0.00 1.05 2.13 -1.26 -4.00 120.64 115.26 2kfp n GLU 69 Ca 0.28 0.24 0.12 0.00 0.66 0.00 0.00 57.16 58.46 2kfp n GLU 69 Cb 1.40 -1.76 0.24 0.00 0.27 0.00 0.00 31.44 31.59 2kfp n GLU 69 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2kfp n LEU 70 N -2.97 0.77 -0.20 4.31 4.77 0.23 -4.04 117.00 119.87 2kfp n LEU 70 Ca -0.17 -0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 55.55 2kfp n LEU 70 Cb 1.02 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.95 2kfp n LEU 70 CO 0.44 0.17 0.79 1.62 -1.33 0.00 0.00 177.39 179.08 2kfp h VAL 71 N 0.45 1.27 -0.63 4.08 3.04 0.95 -2.61 116.25 122.80 2kfp h VAL 71 Ca 0.00 -1.21 -0.03 0.00 -1.01 0.00 0.00 66.70 64.44 2kfp h VAL 71 Cb 0.51 0.87 -0.03 0.00 -2.01 0.00 0.00 31.29 30.63 2kfp h VAL 71 CO 0.00 0.44 0.27 1.23 -1.01 0.00 0.00 177.57 178.50 2kfp h GLY 72 N 0.96 1.00 0.95 3.17 0.00 -1.77 0.86 103.07 108.24 2kfp h GLY 72 Ca 0.16 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 2kfp h GLY 72 CO 0.04 0.49 0.07 0.23 0.00 0.00 0.00 176.54 177.37 2kfp h SER 73 N 0.88 0.14 -0.04 0.19 0.87 -1.72 0.83 113.55 114.69 2kfp h SER 73 Ca 0.21 -0.06 -0.23 0.00 -1.23 0.00 0.00 61.79 60.49 2kfp h SER 73 Cb 0.17 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2kfp h SER 73 CO -0.02 0.16 -0.84 0.25 -0.53 0.00 0.00 176.83 175.85 2kfp h LEU 74 N 0.11 0.86 -0.29 2.23 6.46 -1.31 -3.17 115.31 120.20 2kfp h LEU 74 Ca 0.04 -0.60 -0.20 0.00 -0.12 0.00 0.00 57.88 57.01 2kfp h LEU 74 Cb 0.04 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.72 2kfp h LEU 74 CO -0.01 1.39 -0.64 -0.09 -0.62 0.00 0.00 178.44 178.47 2kfp h ARG 75 N 0.47 0.77 0.00 1.25 2.43 0.89 -2.99 114.38 117.20 2kfp h ARG 75 Ca -0.07 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 2kfp h ARG 75 Cb 1.46 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 2kfp h ARG 75 CO 0.17 1.16 0.00 0.36 -1.51 0.00 0.00 179.97 180.15 2kfp n LYS 76 N -3.96 0.34 -2.75 0.20 -0.00 0.29 -4.77 118.16 107.51 2kfp n LYS 76 Ca -0.05 0.08 -0.35 0.00 -0.00 0.00 0.00 58.31 57.99 2kfp n LYS 76 Cb 0.67 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 34.14 2kfp n LYS 76 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2kfp s LYS 77 N -2.51 4.30 0.44 -1.58 -0.14 -1.13 -5.02 119.74 114.10 2kfp s LYS 77 Ca 0.21 1.26 -0.24 0.00 -1.36 0.00 0.00 55.97 55.84 2kfp s LYS 77 Cb 0.14 -2.42 -0.08 0.00 -1.68 0.00 0.00 37.83 33.79 2kfp s LYS 77 CO 0.31 0.02 1.17 -1.25 -0.76 0.00 0.00 175.35 174.84 2kfp s PRO 78 N -2.73 3.85 0.00 -1.68 0.04 -1.26 -3.02 135.00 130.20 2kfp s PRO 78 Ca 0.58 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2kfp s PRO 78 Cb -0.14 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2kfp s PRO 78 CO 0.19 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.16 2kfp n GLY 79 N 0.50 3.11 3.65 0.56 0.00 -1.26 -4.85 105.19 106.89 2kfp n GLY 79 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2kfp n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kfp s ILE 80 N -1.57 5.09 0.19 -0.61 1.09 -1.17 -2.33 121.20 121.90 2kfp s ILE 80 Ca 0.00 0.94 0.09 0.00 -1.10 0.00 0.00 60.65 60.58 2kfp s ILE 80 Cb 0.00 -3.84 -0.04 0.00 -1.06 0.00 0.00 42.46 37.52 2kfp s ILE 80 CO 0.00 0.14 -0.11 -0.31 -0.10 0.00 0.00 174.94 174.56 2kfp s TYR 81 N 1.90 2.59 0.56 3.97 1.51 -0.71 -4.82 117.35 122.35 2kfp s TYR 81 Ca 0.23 -0.24 -0.21 0.00 -1.01 0.00 0.00 57.07 55.84 2kfp s TYR 81 Cb -0.15 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 2kfp s TYR 81 CO 0.09 0.52 1.35 -2.14 -1.11 0.00 0.00 175.55 174.27 2kfp s PRO 82 N -2.89 3.06 0.29 -1.71 0.02 -1.26 -2.18 135.00 130.32 2kfp s PRO 82 Ca 0.25 2.22 -0.29 0.00 0.02 0.00 0.00 61.00 63.20 2kfp s PRO 82 Cb -0.08 -2.20 -0.09 0.00 0.02 0.00 0.00 34.50 32.14 2kfp s PRO 82 CO 0.15 -1.25 1.08 0.00 -0.33 0.00 0.00 177.00 176.65 2kfp s ALA 83 N -1.31 3.38 -2.50 -1.55 0.00 -1.26 -4.44 121.76 114.08 2kfp s ALA 83 Ca 0.73 0.86 0.23 0.00 0.00 0.00 0.00 51.96 53.78 2kfp s ALA 83 Cb -0.40 -3.31 0.53 0.00 0.00 0.00 0.00 23.12 19.93 2kfp s ALA 83 CO 0.47 -0.13 1.45 2.48 0.00 0.00 0.00 175.76 180.03 2kfp n TYR 84 N 1.12 0.31 -1.08 0.00 4.11 -1.26 -4.88 117.16 115.48 2kfp n TYR 84 Ca -0.01 -0.16 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 2kfp n TYR 84 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.79 2kfp n TYR 84 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 2kfp n HIS 85 N 1.04 -1.02 -0.73 -3.48 8.25 -1.26 -5.03 115.22 112.99 2kfp n HIS 85 Ca 0.18 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.32 2kfp n HIS 85 Cb 0.51 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.76 2kfp n HIS 85 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 2kfp n MET 86 N -0.28 -0.51 0.00 -0.41 0.00 -1.26 -4.74 117.12 109.92 2kfp n MET 86 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 57.70 57.60 2kfp n MET 86 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 33.22 31.18 2kfp n MET 86 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2kfp n ASN 87 N -2.50 -0.69 0.00 6.12 0.23 -1.26 -4.80 115.26 112.36 2kfp n ASN 87 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 2kfp n ASN 87 Cb 0.53 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 2kfp n ASN 87 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2kfp n LYS 88 N -0.23 1.73 0.03 -3.83 4.81 -1.26 -4.89 118.16 114.53 2kfp n LYS 88 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 2kfp n LYS 88 Cb 0.00 -0.20 -0.10 0.00 0.02 0.00 0.00 35.03 34.75 2kfp n LYS 88 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kfp n GLU 89 N -0.15 0.62 0.00 1.64 4.71 -1.26 -4.58 120.64 121.62 2kfp n GLU 89 Ca 0.00 -0.07 -0.00 0.00 -0.01 0.00 0.00 57.16 57.08 2kfp n GLU 89 Cb 0.00 -1.64 -0.00 0.00 -1.01 0.00 0.00 31.44 28.79 2kfp n GLU 89 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2kfp h HIS 90 N 0.00 -0.01 -3.62 -0.32 3.86 -1.90 -3.40 115.15 109.76 2kfp h HIS 90 Ca 0.00 -0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.53 2kfp h HIS 90 Cb 0.98 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.26 2kfp h HIS 90 CO 0.00 -0.00 -0.69 -1.58 0.86 0.00 0.00 177.93 176.51 2kfp s TRP 91 N -1.52 2.94 0.24 2.45 0.52 -1.26 -1.59 118.94 120.72 2kfp s TRP 91 Ca -0.00 -0.02 0.12 0.00 0.02 0.00 0.00 56.10 56.21 2kfp s TRP 91 Cb 0.00 -1.74 -0.05 0.00 -1.15 0.00 0.00 33.47 30.54 2kfp s TRP 91 CO 0.00 0.29 -0.22 0.42 0.02 0.00 0.00 176.95 177.46 2kfp s ILE 92 N -0.67 2.41 -0.11 2.03 -1.09 0.87 -4.36 121.20 120.28 2kfp s ILE 92 Ca 0.10 -2.25 -0.09 0.00 -2.23 0.00 0.00 60.65 56.19 2kfp s ILE 92 Cb -0.11 -2.22 -0.04 0.00 -1.58 0.00 0.00 42.46 38.50 2kfp s ILE 92 CO 0.02 -0.28 0.18 0.42 -1.23 0.00 0.00 174.94 174.04 2kfp s THR 93 N -2.16 5.42 -0.06 2.92 -4.23 -0.93 -0.04 115.64 116.56 2kfp s THR 93 Ca 0.26 0.31 0.06 0.00 -1.18 0.00 0.00 61.69 61.13 2kfp s THR 93 Cb -0.06 -3.46 -0.01 0.00 1.34 0.00 0.00 72.50 70.31 2kfp s THR 93 CO 0.13 0.58 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.86 2kfp s VAL 94 N -0.81 2.00 -0.55 2.29 1.01 -0.89 -1.73 120.40 121.72 2kfp s VAL 94 Ca 0.15 -1.03 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 2kfp s VAL 94 Cb -0.13 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.60 2kfp s VAL 94 CO 0.05 0.55 0.94 -0.22 0.00 0.00 0.00 175.10 176.42 2kfp s LEU 95 N -0.07 4.10 0.19 3.92 2.96 -0.98 -2.80 118.68 126.00 2kfp s LEU 95 Ca -0.06 -0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 2kfp s LEU 95 Cb -0.14 -2.84 0.08 0.00 0.50 0.00 0.00 46.19 43.79 2kfp s LEU 95 CO 0.04 -1.22 1.64 -0.07 -1.32 0.00 0.00 176.35 175.42 2kfp h LEU 96 N 10.96 1.03 0.00 -0.68 3.38 -1.77 -1.19 115.31 127.03 2kfp h LEU 96 Ca -0.26 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2kfp h LEU 96 Cb 1.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2kfp h LEU 96 CO 1.09 1.10 0.00 -3.20 0.09 0.00 0.00 178.44 177.52 2kfp n ASN 97 N -4.16 0.00 -2.46 -0.43 2.85 -1.26 -3.74 115.26 106.06 2kfp n ASN 97 Ca 0.02 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.77 2kfp n ASN 97 Cb 0.37 -0.38 0.00 0.00 1.24 0.00 0.00 39.78 41.01 2kfp n ASN 97 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kfp n GLY 98 N -0.20 -2.04 0.50 8.20 0.00 -0.45 -4.88 105.19 106.32 2kfp n GLY 98 Ca 0.05 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2kfp n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kfp n PRO 99 N -1.23 1.14 -2.04 1.61 -0.04 -1.26 -4.70 135.00 128.49 2kfp n PRO 99 Ca 0.00 -0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 62.92 2kfp n PRO 99 Cb 0.00 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.96 2kfp n PRO 99 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kfp s LEU 100 N -0.21 4.38 0.30 1.53 2.01 -1.26 -5.00 118.68 120.43 2kfp s LEU 100 Ca 0.02 2.58 -0.04 0.00 0.01 0.00 0.00 54.13 56.70 2kfp s LEU 100 Cb 0.02 -3.61 -0.05 0.00 0.01 0.00 0.00 46.19 42.56 2kfp s LEU 100 CO 0.01 -0.71 0.55 -0.83 1.01 0.00 0.00 176.35 176.38 2kfp s GLY 101 N 0.67 1.75 0.13 -3.19 0.00 -1.26 -3.91 107.32 101.51 2kfp s GLY 101 Ca 0.63 -0.64 -0.19 0.00 0.00 0.00 0.00 44.72 44.52 2kfp s GLY 101 CO 0.38 -0.54 1.75 0.00 0.00 0.00 0.00 173.10 174.68 2kfp h ALA 102 N 1.48 0.24 -0.65 3.20 0.00 -1.99 0.18 119.26 121.72 2kfp h ALA 102 Ca -0.48 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 2kfp h ALA 102 Cb 1.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2kfp h ALA 102 CO 0.65 -0.36 0.07 0.87 0.00 0.00 0.00 179.25 180.49 2kfp h LYS 103 N 0.16 1.11 -0.46 0.00 1.57 -1.99 -1.32 116.57 115.64 2kfp h LYS 103 Ca 0.10 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 2kfp h LYS 103 Cb 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2kfp h LYS 103 CO -0.11 1.03 0.24 0.93 -0.57 0.00 0.00 179.45 180.97 2kfp h GLU 104 N 1.02 0.65 -0.46 3.15 4.39 -1.80 -1.41 114.58 120.13 2kfp h GLU 104 Ca 0.19 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 2kfp h GLU 104 Cb 0.49 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 2kfp h GLU 104 CO 0.02 0.54 0.10 0.82 -1.16 0.00 0.00 179.01 179.33 2kfp h ILE 105 N 0.60 1.24 -0.79 3.13 2.04 -0.46 -2.27 117.51 121.01 2kfp h ILE 105 Ca 0.16 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.19 2kfp h ILE 105 Cb 0.09 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 2kfp h ILE 105 CO -0.02 0.30 0.50 0.45 0.00 0.00 0.00 178.15 179.39 2kfp h HIS 106 N 0.63 0.95 -0.60 1.37 3.86 -0.94 -0.15 115.15 120.27 2kfp h HIS 106 Ca 0.14 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 2kfp h HIS 106 Cb 0.35 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 2kfp h HIS 106 CO 0.02 0.56 0.19 0.66 0.86 0.00 0.00 177.93 180.22 2kfp h SER 107 N 0.99 0.87 -0.62 2.45 4.64 -1.06 -1.18 113.55 119.64 2kfp h SER 107 Ca 0.31 -0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 2kfp h SER 107 Cb -0.02 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 2kfp h SER 107 CO -0.10 0.84 0.13 -0.07 -0.87 0.00 0.00 176.83 176.76 2kfp h LEU 108 N 0.84 0.96 -0.55 5.97 3.38 -0.82 -2.65 115.31 122.44 2kfp h LEU 108 Ca 0.19 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2kfp h LEU 108 Cb 0.28 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2kfp h LEU 108 CO -0.01 0.95 0.19 0.40 0.09 0.00 0.00 178.44 180.06 2kfp h ILE 109 N 0.92 1.23 -0.82 1.22 2.04 -0.77 -2.40 117.51 118.92 2kfp h ILE 109 Ca 0.19 -0.76 0.08 0.00 1.00 0.00 0.00 64.86 65.38 2kfp h ILE 109 Cb 0.38 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 2kfp h ILE 109 CO 0.01 0.29 0.48 -0.08 0.00 0.00 0.00 178.15 178.84 2kfp h GLU 110 N 0.76 0.80 -0.78 2.37 4.81 -0.98 -0.46 114.58 121.10 2kfp h GLU 110 Ca 0.18 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2kfp h GLU 110 Cb 0.25 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 2kfp h GLU 110 CO -0.01 0.53 0.38 -0.44 -0.73 0.00 0.00 179.01 178.74 2kfp h ASP 111 N 0.83 1.01 -0.99 1.04 3.32 -1.13 -2.33 116.42 118.18 2kfp h ASP 111 Ca 0.39 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.31 2kfp h ASP 111 Cb 0.31 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 2kfp h ASP 111 CO -0.22 0.85 0.64 -1.28 -1.72 0.00 0.00 179.24 177.51 2kfp h SER 112 N 1.09 1.15 -0.62 6.45 0.87 -0.64 -2.15 113.55 119.70 2kfp h SER 112 Ca 0.27 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.82 2kfp h SER 112 Cb 0.10 -0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 2kfp h SER 112 CO -0.04 0.84 0.38 0.15 -0.53 0.00 0.00 176.83 177.63 2kfp h PHE 113 N 1.35 0.70 -0.46 2.24 3.57 -0.75 0.36 116.94 123.95 2kfp h PHE 113 Ca 0.36 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.92 2kfp h PHE 113 Cb -0.14 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.34 2kfp h PHE 113 CO 0.00 0.39 0.24 1.96 -2.23 0.00 0.00 178.31 178.67 2kfp h GLN 114 N 0.73 0.46 -0.52 1.11 4.20 -1.14 0.15 115.11 120.10 2kfp h GLN 114 Ca 0.25 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.86 2kfp h GLN 114 Cb 0.05 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2kfp h GLN 114 CO -0.11 0.31 0.02 -0.07 -0.67 0.00 0.00 178.83 178.30 2kfp h LEU 115 N 0.48 0.84 -1.41 1.46 4.07 -1.09 -1.76 115.31 117.90 2kfp h LEU 115 Ca 0.19 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2kfp h LEU 115 Cb 0.08 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.60 2kfp h LEU 115 CO -0.13 0.89 0.00 0.35 -1.08 0.00 0.00 178.44 178.48 2kfp n THR 116 N -4.21 0.63 -0.58 0.22 -2.24 0.06 -4.48 114.28 103.69 2kfp n THR 116 Ca 0.03 -0.46 -0.06 0.00 -2.27 0.00 0.00 64.05 61.29 2kfp n THR 116 Cb 0.30 0.01 -0.09 0.00 -2.10 0.00 0.00 70.33 68.45 2kfp n THR 116 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2kfp n ARG 117 N 0.34 1.16 -1.05 -0.78 0.63 0.44 -4.89 116.66 112.51 2kfp n ARG 117 Ca 0.10 -0.54 0.12 0.00 -0.92 0.00 0.00 57.85 56.62 2kfp n ARG 117 Cb 0.38 -1.73 -0.04 0.00 0.45 0.00 0.00 32.46 31.52 2kfp n ARG 117 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2kfp n LEU 118 N 2.57 -0.53 0.00 6.15 4.32 -1.26 -4.94 117.00 123.31 2kfp n LEU 118 Ca 0.23 1.19 0.00 0.00 -0.02 0.00 0.00 56.01 57.42 2kfp n LEU 118 Cb 0.54 -3.37 0.00 0.00 -1.62 0.00 0.00 43.42 38.97 2kfp n LEU 118 CO 0.15 -2.17 0.00 -0.62 -1.22 0.00 0.00 177.39 173.53 2kfp n GLU 119 N -3.28 3.65 -2.85 3.23 -0.58 -1.26 -4.94 120.64 114.61 2kfp n GLU 119 Ca -0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.72 2kfp n GLU 119 Cb 0.62 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.48 2kfp n GLU 119 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2kfp n HIS 120 N 0.00 -2.77 -2.74 -0.32 -0.00 -1.26 -4.91 115.22 103.22 2kfp n HIS 120 Ca 0.00 1.33 -0.40 0.00 0.46 0.00 0.00 57.72 59.11 2kfp n HIS 120 Cb 0.00 -3.01 -0.06 0.00 -0.12 0.00 0.00 29.99 26.80 2kfp n HIS 120 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kfp s HIS 121 N -1.19 3.94 -0.79 1.57 3.76 -1.26 -4.89 115.29 116.42 2kfp s HIS 121 Ca -0.05 1.89 -0.23 0.00 -0.15 0.00 0.00 55.06 56.51 2kfp s HIS 121 Cb 0.00 -3.01 -0.18 0.00 1.11 0.00 0.00 32.58 30.51 2kfp s HIS 121 CO 0.53 0.38 2.42 -2.39 -0.85 0.00 0.00 174.74 174.83 2kfp n HIS 122 N 1.76 0.87 -3.71 1.40 1.44 -1.26 -4.84 115.22 110.88 2kfp n HIS 122 Ca -0.01 0.11 -0.14 0.00 -2.01 0.00 0.00 57.72 55.67 2kfp n HIS 122 Cb 0.47 -2.13 -0.09 0.00 0.12 0.00 0.00 29.99 28.37 2kfp n HIS 122 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kfp s HIS 123 N 9.73 -0.45 0.00 -1.40 5.04 -1.26 -5.06 115.29 121.89 2kfp s HIS 123 Ca 1.12 1.02 0.00 0.00 -1.54 0.00 0.00 55.06 55.66 2kfp s HIS 123 Cb -0.54 0.17 0.00 0.00 0.04 0.00 0.00 32.58 32.26 2kfp s HIS 123 CO 0.32 -0.30 0.00 1.58 -2.34 0.00 0.00 174.74 174.01 2kfp n HIS 124 N 2.37 0.00 -1.79 3.88 -0.00 -1.26 -5.22 115.22 113.20 2kfp n HIS 124 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 2kfp n HIS 124 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.56 2kfp n HIS 124 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06