#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 5.83 0.18 3.17 0.01 -1.26 -4.36 114.94 118.51 2kfp s ASN 2 Ca 0.00 0.08 -0.13 0.00 -0.71 0.00 0.00 52.86 52.10 2kfp s ASN 2 Cb 0.00 -1.35 0.09 0.00 0.41 0.00 0.00 41.25 40.40 2kfp s ASN 2 CO 0.00 -0.65 1.83 -0.09 -1.51 0.00 0.00 177.10 176.68 2kfp h ARG 3 N 0.54 0.81 -0.80 -0.60 2.43 -1.98 -2.02 114.38 112.75 2kfp h ARG 3 Ca -0.45 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 58.61 2kfp h ARG 3 Cb 1.26 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 2kfp h ARG 3 CO 0.55 0.57 0.36 0.37 -1.51 0.00 0.00 179.97 180.30 2kfp h GLN 4 N 0.81 1.16 -0.60 0.20 -0.00 -2.01 -2.31 115.11 112.36 2kfp h GLN 4 Ca 0.22 -0.18 -0.05 0.00 -0.00 0.00 0.00 58.65 58.64 2kfp h GLN 4 Cb -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 27.48 27.21 2kfp h GLN 4 CO -0.04 0.91 0.19 1.96 0.00 0.00 0.00 178.83 181.85 2kfp h GLN 5 N 1.14 0.90 -0.56 1.69 4.20 -1.83 -2.41 115.11 118.25 2kfp h GLN 5 Ca 0.27 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2kfp h GLN 5 Cb 0.15 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 2kfp h GLN 5 CO -0.03 0.77 0.35 0.35 -0.67 0.00 0.00 178.83 179.60 2kfp h PHE 6 N 0.87 0.72 -0.42 2.96 3.57 -0.82 -0.15 116.94 123.67 2kfp h PHE 6 Ca 0.20 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 2kfp h PHE 6 Cb 0.25 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2kfp h PHE 6 CO 0.02 0.48 0.20 0.82 -2.23 0.00 0.00 178.31 177.59 2kfp h ILE 7 N 0.75 1.18 -0.51 1.41 1.08 -1.23 -0.47 117.51 119.73 2kfp h ILE 7 Ca 0.20 -0.51 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 2kfp h ILE 7 Cb -0.05 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 2kfp h ILE 7 CO -0.04 0.20 0.27 0.44 -0.69 0.00 0.00 178.15 178.33 2kfp h ASP 8 N 0.54 0.65 -0.25 1.72 3.32 -1.06 0.18 116.42 121.51 2kfp h ASP 8 Ca 0.14 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2kfp h ASP 8 Cb 0.13 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2kfp h ASP 8 CO -0.02 0.56 0.14 0.22 -1.72 0.00 0.00 179.24 178.42 2kfp h TYR 9 N 0.68 0.35 -0.50 4.55 3.20 -0.75 -0.83 116.97 123.67 2kfp h TYR 9 Ca 0.18 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 2kfp h TYR 9 Cb 0.07 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2kfp h TYR 9 CO -0.01 0.30 -0.00 0.00 -1.64 0.00 0.00 178.16 176.80 2kfp h ALA 10 N 1.02 1.04 -0.10 1.82 0.00 -0.84 -1.23 119.26 120.96 2kfp h ALA 10 Ca 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2kfp h ALA 10 Cb 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2kfp h ALA 10 CO -0.01 0.60 0.03 0.37 0.00 0.00 0.00 179.25 180.23 2kfp h GLN 11 N 0.79 0.16 -0.34 0.00 5.75 -0.27 0.88 115.11 122.08 2kfp h GLN 11 Ca 0.15 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.54 2kfp h GLN 11 Cb 0.48 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 2kfp h GLN 11 CO 0.02 0.33 -0.09 -0.22 -2.65 0.00 0.00 178.83 176.22 2kfp h LYS 12 N -0.03 0.58 0.14 1.69 3.64 -1.05 2.36 116.57 123.89 2kfp h LYS 12 Ca 0.03 -0.16 -0.30 0.00 -1.27 0.00 0.00 60.65 58.96 2kfp h LYS 12 Cb 0.24 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2kfp h LYS 12 CO -0.00 0.67 -1.40 -0.22 -2.27 0.00 0.00 179.45 176.22 2kfp h LYS 13 N 0.54 0.29 0.00 1.90 3.64 -0.98 -3.41 116.57 118.55 2kfp h LYS 13 Ca 0.10 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2kfp h LYS 13 Cb 0.48 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2kfp h LYS 13 CO 0.03 1.19 -0.79 0.66 -2.27 0.00 0.00 179.45 178.27 2kfp n TYR 14 N -3.51 0.00 -3.25 1.91 4.01 0.30 -5.02 117.16 111.60 2kfp n TYR 14 Ca -0.13 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.37 2kfp n TYR 14 Cb 1.04 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 40.10 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 -1.22 -5.52 -4.69 7.72 -0.08 0.79 -4.96 116.55 108.60 2kfp n ASP 15 Ca 0.00 -0.39 -0.31 0.00 -1.51 0.00 0.00 54.79 52.59 2kfp n ASP 15 Cb 0.03 -4.45 -0.08 0.00 2.34 0.00 0.00 41.12 38.96 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 -3.15 4.07 0.27 5.18 -1.32 -1.26 -5.01 115.64 114.42 2kfp s THR 16 Ca 0.40 -0.88 -0.06 0.00 -1.21 0.00 0.00 61.69 59.93 2kfp s THR 16 Cb -0.19 -2.91 -0.06 0.00 -1.51 0.00 0.00 72.50 67.84 2kfp s THR 16 CO 0.49 0.18 0.55 -0.54 -2.21 0.00 0.00 174.62 173.09 2kfp s LYS 17 N -2.12 3.68 0.69 7.08 3.01 -1.26 -4.70 119.74 126.12 2kfp s LYS 17 Ca 0.24 0.09 -0.15 0.00 -1.01 0.00 0.00 55.97 55.14 2kfp s LYS 17 Cb -0.12 -2.65 0.02 0.00 -1.01 0.00 0.00 37.83 34.07 2kfp s LYS 17 CO 0.16 0.25 1.14 -1.25 0.51 0.00 0.00 175.35 176.17 2kfp s PRO 18 N -3.31 2.53 0.00 -1.68 0.04 -1.26 -4.80 135.00 126.52 2kfp s PRO 18 Ca 0.45 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2kfp s PRO 18 Cb -0.11 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 2kfp s PRO 18 CO 0.27 -1.48 -0.01 0.34 0.04 0.00 0.00 177.00 176.16 2kfp s ASP 19 N -2.39 0.09 -0.51 6.66 2.15 0.32 -4.87 116.67 118.12 2kfp s ASP 19 Ca 0.70 -0.11 0.03 0.00 0.43 0.00 0.00 52.55 53.60 2kfp s ASP 19 Cb -0.24 0.02 0.15 0.00 -0.30 0.00 0.00 42.92 42.55 2kfp s ASP 19 CO 0.43 -0.06 0.32 -1.38 -0.17 0.00 0.00 175.17 174.31 2kfp s HIS 20 N -0.30 2.40 0.36 -5.34 -3.43 -1.26 -0.32 115.29 107.39 2kfp s HIS 20 Ca -0.03 -2.73 0.08 0.00 -0.80 0.00 0.00 55.06 51.57 2kfp s HIS 20 Cb -0.02 -2.07 0.79 0.00 -1.43 0.00 0.00 32.58 29.84 2kfp s HIS 20 CO -0.00 -0.73 1.91 -1.35 -2.00 0.00 0.00 174.74 172.57 2kfp h PRO 21 N 6.22 0.70 -6.45 -0.38 0.11 -1.93 -3.37 132.00 126.90 2kfp h PRO 21 Ca 0.06 -0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.56 2kfp h PRO 21 Cb 0.88 -0.16 -0.08 0.00 0.11 0.00 0.00 31.00 31.75 2kfp h PRO 21 CO 0.55 0.46 0.90 -1.58 -0.21 0.00 0.00 178.00 178.12 2kfp s TRP 22 N -5.67 2.65 0.32 0.65 0.51 -1.26 -4.86 118.94 111.28 2kfp s TRP 22 Ca -0.10 0.35 0.35 0.00 -2.12 0.00 0.00 56.10 54.58 2kfp s TRP 22 Cb 0.21 -4.42 1.65 0.00 -0.81 0.00 0.00 33.47 30.09 2kfp s TRP 22 CO 0.78 -1.52 2.10 1.05 -0.51 0.00 0.00 176.95 178.85 2kfp h GLU 23 N 9.48 0.00 0.00 4.98 4.11 -2.03 -1.24 114.58 129.88 2kfp h GLU 23 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 2kfp h GLU 23 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2kfp h GLU 23 CO 1.16 0.04 0.00 1.63 0.07 0.00 0.00 179.01 181.91 2kfp n LYS 24 N -3.22 0.57 -3.20 1.06 5.02 -1.26 -3.97 118.16 113.16 2kfp n LYS 24 Ca -0.01 0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 2kfp n LYS 24 Cb 0.24 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 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 -1.19 0.28 0.30 2.13 3.72 -0.47 -4.93 117.46 117.29 2kfp n PHE 25 Ca 0.16 -3.70 0.18 0.00 -0.05 0.00 0.00 57.45 54.04 2kfp n PHE 25 Cb 0.19 -0.39 0.79 0.00 -0.94 0.00 0.00 39.48 39.13 2kfp n PHE 25 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kfp h PRO 26 N 3.66 0.00 -0.00 -1.08 0.13 -1.69 -1.98 132.00 131.04 2kfp h PRO 26 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2kfp h PRO 26 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2kfp h PRO 26 CO 0.51 0.00 -0.03 -0.25 -0.23 0.00 0.00 178.00 178.00 2kfp n ASP 27 N -2.97 0.11 -4.86 1.44 8.00 -1.26 -4.80 116.55 112.21 2kfp n ASP 27 Ca -0.00 -0.21 -0.34 0.00 0.71 0.00 0.00 54.79 54.95 2kfp n ASP 27 Cb 0.23 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 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 -2.58 3.51 -0.07 1.24 1.51 -0.75 -4.88 117.35 115.33 2kfp s TYR 28 Ca 0.28 0.99 0.04 0.00 -1.01 0.00 0.00 57.07 57.36 2kfp s TYR 28 Cb 0.20 -2.33 0.00 0.00 -0.11 0.00 0.00 41.96 39.72 2kfp s TYR 28 CO 0.47 0.33 -0.19 0.00 -1.11 0.00 0.00 175.55 175.06 2kfp s ALA 29 N -1.66 1.74 -0.04 3.71 0.00 -1.08 -4.53 121.76 119.90 2kfp s ALA 29 Ca 0.43 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2kfp s ALA 29 Cb -0.13 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.35 2kfp s ALA 29 CO 0.20 0.24 -0.09 0.08 0.00 0.00 0.00 175.76 176.20 2kfp s VAL 30 N 0.33 0.82 -0.08 0.00 1.01 0.56 -2.04 120.40 121.00 2kfp s VAL 30 Ca -0.13 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2kfp s VAL 30 Cb -0.16 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2kfp s VAL 30 CO 0.05 0.27 -0.10 -0.36 0.00 0.00 0.00 175.10 174.97 2kfp s PHE 31 N 0.57 2.86 -0.02 5.22 0.08 -1.12 -0.52 117.98 125.04 2kfp s PHE 31 Ca -0.10 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 56.79 2kfp s PHE 31 Cb -0.13 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.61 2kfp s PHE 31 CO 0.01 0.17 0.02 -0.98 -0.10 0.00 0.00 175.22 174.34 2kfp s ARG 32 N -0.50 0.05 -0.40 0.44 1.70 -1.26 -3.56 118.95 115.42 2kfp s ARG 32 Ca 0.07 0.12 -0.14 0.00 -0.47 0.00 0.00 55.73 55.31 2kfp s ARG 32 Cb -0.12 -0.25 0.02 0.00 -0.57 0.00 0.00 34.95 34.03 2kfp s ARG 32 CO 0.02 -0.12 0.28 -1.01 -1.08 0.00 0.00 175.30 173.39 2kfp s HIS 33 N 0.82 3.24 -0.85 5.89 3.76 -1.26 -4.92 115.29 121.97 2kfp s HIS 33 Ca -0.07 -0.64 0.26 0.00 -0.15 0.00 0.00 55.06 54.46 2kfp s HIS 33 Cb -0.10 -2.56 1.00 0.00 1.11 0.00 0.00 32.58 32.02 2kfp s HIS 33 CO -0.02 -0.59 1.81 -1.13 -0.85 0.00 0.00 174.74 173.96 2kfp n SER 34 N 5.13 0.38 -0.39 1.40 3.41 -1.26 -2.82 113.62 119.47 2kfp n SER 34 Ca -0.11 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.18 2kfp n SER 34 Cb 0.47 -0.64 0.49 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.87 1.31 -0.09 4.04 8.00 -1.26 -3.71 116.55 122.97 2kfp n ASP 35 Ca 0.06 -1.28 0.10 0.00 0.71 0.00 0.00 54.79 54.37 2kfp n ASP 35 Cb 0.35 0.04 0.14 0.00 -0.02 0.00 0.00 41.12 41.63 2kfp n ASP 35 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2kfp n ASN 36 N -0.12 2.37 0.00 -2.24 4.13 -1.13 -5.02 115.26 113.26 2kfp n ASN 36 Ca 0.17 -3.04 0.00 0.00 1.68 0.00 0.00 54.58 53.39 2kfp n ASN 36 Cb 0.35 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 2kfp n ASN 36 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kfp n ASP 37 N -1.38 0.00 -4.85 6.41 -0.08 -1.24 -4.64 116.55 110.77 2kfp n ASP 37 Ca 0.15 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.12 2kfp n ASP 37 Cb 0.63 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.04 2kfp n ASP 37 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2kfp s LYS 38 N 0.00 3.94 -0.28 -0.67 1.02 -1.26 -4.87 119.74 117.62 2kfp s LYS 38 Ca 0.00 0.73 -0.25 0.00 0.02 0.00 0.00 55.97 56.46 2kfp s LYS 38 Cb 0.00 -2.31 0.12 0.00 -0.52 0.00 0.00 37.83 35.12 2kfp s LYS 38 CO 0.00 -0.04 1.04 1.67 -0.92 0.00 0.00 175.35 177.10 2kfp s TRP 39 N -2.30 -0.46 -0.18 3.18 -2.14 -1.26 -4.70 118.94 111.08 2kfp s TRP 39 Ca 0.55 1.13 -0.07 0.00 2.66 0.00 0.00 56.10 60.37 2kfp s TRP 39 Cb -0.10 0.37 0.08 0.00 -3.10 0.00 0.00 33.47 30.72 2kfp s TRP 39 CO 0.25 -0.23 0.38 -0.47 -2.66 0.00 0.00 176.95 174.22 2kfp s TYR 40 N 0.19 -0.69 -0.28 1.66 5.04 -1.26 -4.90 117.35 117.12 2kfp s TYR 40 Ca 0.03 1.36 0.01 0.00 -2.44 0.00 0.00 57.07 56.03 2kfp s TYR 40 Cb -0.05 0.22 0.16 0.00 0.35 0.00 0.00 41.96 42.65 2kfp s TYR 40 CO -0.06 -0.43 0.46 0.00 -1.34 0.00 0.00 175.55 174.18 2kfp s ALA 41 N 2.39 -1.55 -0.24 3.97 0.00 -1.23 -4.77 121.76 120.32 2kfp s ALA 41 Ca -0.02 0.86 -0.02 0.00 0.00 0.00 0.00 51.96 52.77 2kfp s ALA 41 Cb -0.12 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 20.98 2kfp s ALA 41 CO -0.12 -1.54 -0.06 -1.17 0.00 0.00 0.00 175.76 172.88 2kfp s LEU 42 N 2.65 3.13 -0.13 0.00 1.98 -1.24 -2.81 118.68 122.26 2kfp s LEU 42 Ca 0.13 -0.77 0.03 0.00 -2.89 0.00 0.00 54.13 50.62 2kfp s LEU 42 Cb -0.13 -1.68 0.01 0.00 0.66 0.00 0.00 46.19 45.04 2kfp s LEU 42 CO -0.24 -0.11 -0.22 -0.22 -1.89 0.00 0.00 176.35 173.67 2kfp s LEU 43 N 1.36 2.09 -0.02 -0.68 0.20 -0.87 -1.75 118.68 119.01 2kfp s LEU 43 Ca 0.01 -0.59 -0.27 0.00 0.69 0.00 0.00 54.13 53.98 2kfp s LEU 43 Cb -0.16 -1.42 0.06 0.00 -0.43 0.00 0.00 46.19 44.23 2kfp s LEU 43 CO -0.04 0.10 0.60 0.00 -0.29 0.00 0.00 176.35 176.72 2kfp s MET 44 N 0.68 1.00 -0.31 1.98 0.23 -1.09 -2.65 119.30 119.15 2kfp s MET 44 Ca -0.10 0.10 -0.14 0.00 -1.03 0.00 0.00 55.69 54.52 2kfp s MET 44 Cb -0.16 0.47 -0.03 0.00 -1.53 0.00 0.00 34.83 33.58 2kfp s MET 44 CO 0.01 -0.32 0.32 -0.51 -2.03 0.00 0.00 175.02 172.49 2kfp s ASP 45 N -1.37 6.15 0.07 -1.18 1.01 -1.26 -2.52 116.67 117.57 2kfp s ASP 45 Ca -0.10 -0.10 0.08 0.00 0.71 0.00 0.00 52.55 53.13 2kfp s ASP 45 Cb -0.01 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.71 2kfp s ASP 45 CO 0.07 -0.24 -0.21 0.27 0.21 0.00 0.00 175.17 175.28 2kfp s ILE 46 N 1.94 1.67 0.39 0.77 -4.36 -0.90 -4.92 121.20 115.78 2kfp s ILE 46 Ca 0.11 -1.33 -0.24 0.00 -0.26 0.00 0.00 60.65 58.93 2kfp s ILE 46 Cb -0.16 -1.48 -0.12 0.00 1.25 0.00 0.00 42.46 41.95 2kfp s ILE 46 CO 0.11 0.09 0.74 -2.65 0.24 0.00 0.00 174.94 173.47 2kfp n PRO 47 N 1.54 0.86 0.29 0.37 -0.02 -1.26 -2.79 135.00 133.99 2kfp n PRO 47 Ca -0.18 0.31 0.17 0.00 -2.02 0.00 0.00 63.50 61.77 2kfp n PRO 47 Cb 0.53 -1.68 0.88 0.00 -0.02 0.00 0.00 33.50 33.21 2kfp n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kfp h ALA 48 N 1.16 1.19 0.00 3.55 0.00 -1.33 -1.37 119.26 122.47 2kfp h ALA 48 Ca -0.41 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kfp h ALA 48 Cb 1.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2kfp h ALA 48 CO 0.54 0.07 0.00 -0.85 0.00 0.00 0.00 179.25 179.01 2kfp n GLU 49 N -3.42 0.16 0.01 0.00 0.28 -1.01 -2.46 120.64 114.20 2kfp n GLU 49 Ca -0.02 0.34 0.13 0.00 -0.16 0.00 0.00 57.16 57.45 2kfp n GLU 49 Cb 0.18 -1.77 0.43 0.00 1.43 0.00 0.00 31.44 31.71 2kfp n GLU 49 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2kfp n LYS 50 N -2.06 0.04 -0.15 3.44 4.76 -0.51 -3.42 118.16 120.25 2kfp n LYS 50 Ca 0.03 0.02 0.09 0.00 -2.87 0.00 0.00 58.31 55.58 2kfp n LYS 50 Cb 0.25 -1.53 0.17 0.00 -1.84 0.00 0.00 35.03 32.08 2kfp n LYS 50 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2kfp n ILE 51 N -1.59 0.52 -0.01 -0.18 -5.35 -1.03 -4.94 119.36 106.77 2kfp n ILE 51 Ca 0.06 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 2kfp n ILE 51 Cb 0.35 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 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 1.09 0.25 3.76 3.28 0.00 -1.22 -4.95 105.19 107.40 2kfp n GLY 52 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.07 4.03 0.23 -0.61 1.01 -1.12 -4.95 121.20 117.73 2kfp s ILE 53 Ca 0.00 1.87 -0.07 0.00 0.00 0.00 0.00 60.65 62.45 2kfp s ILE 53 Cb 0.00 -4.12 0.20 0.00 0.01 0.00 0.00 42.46 38.55 2kfp s ILE 53 CO 0.00 0.32 1.84 0.78 0.00 0.00 0.00 174.94 177.88 2kfp h ASN 54 N 3.63 1.13 -3.83 3.58 2.35 -1.94 -3.32 115.58 117.18 2kfp h ASN 54 Ca -0.46 -0.11 -0.55 0.00 -0.55 0.00 0.00 56.30 54.62 2kfp h ASN 54 Cb 1.20 -0.29 0.12 0.00 0.05 0.00 0.00 38.32 39.41 2kfp h ASN 54 CO 0.66 0.92 0.63 0.61 -1.65 0.00 0.00 177.43 178.60 2kfp n GLY 55 N -1.09 0.84 1.15 2.83 0.00 -1.26 -4.80 105.19 102.87 2kfp n GLY 55 Ca 0.09 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.40 2kfp n GLY 55 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kfp n ASP 56 N -0.08 3.56 -4.77 1.61 5.68 -1.26 -2.41 116.55 118.86 2kfp n ASP 56 Ca 0.06 -1.98 -0.41 0.00 -0.50 0.00 0.00 54.79 51.96 2kfp n ASP 56 Cb 0.41 -0.34 -0.01 0.00 -1.14 0.00 0.00 41.12 40.04 2kfp n ASP 56 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2kfp s LYS 57 N -1.20 4.22 0.24 0.11 -2.85 -1.26 -4.14 119.74 114.86 2kfp s LYS 57 Ca 0.40 2.40 -0.30 0.00 -1.00 0.00 0.00 55.97 57.48 2kfp s LYS 57 Cb 0.22 -3.02 -0.09 0.00 -2.06 0.00 0.00 37.83 32.88 2kfp s LYS 57 CO 0.30 -0.38 1.28 0.50 0.10 0.00 0.00 175.35 177.16 2kfp s ARG 58 N -1.88 4.41 0.15 1.78 3.52 -1.26 -1.23 118.95 124.44 2kfp s ARG 58 Ca 0.51 2.06 0.03 0.00 -0.13 0.00 0.00 55.73 58.21 2kfp s ARG 58 Cb -0.43 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 2kfp s ARG 58 CO 0.58 -0.18 -0.07 0.14 -0.81 0.00 0.00 175.30 174.96 2kfp s VAL 59 N -0.33 0.96 -0.17 7.11 -7.23 -1.12 -4.86 120.40 114.78 2kfp s VAL 59 Ca 0.53 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 58.61 2kfp s VAL 59 Cb -0.37 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 2kfp s VAL 59 CO 0.42 -0.69 0.10 -0.62 -0.31 0.00 0.00 175.10 174.00 2kfp s ASP 60 N -3.15 6.02 0.12 4.85 2.15 -1.26 -2.13 116.67 123.27 2kfp s ASP 60 Ca 0.18 0.24 0.04 0.00 0.43 0.00 0.00 52.55 53.44 2kfp s ASP 60 Cb 0.04 -2.00 -0.04 0.00 -0.30 0.00 0.00 42.92 40.62 2kfp s ASP 60 CO 0.01 0.25 -0.10 0.68 -0.17 0.00 0.00 175.17 175.84 2kfp s VAL 61 N -0.08 1.03 0.06 1.11 -7.23 -1.05 -1.58 120.40 112.66 2kfp s VAL 61 Ca 0.09 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 2kfp s VAL 61 Cb -0.12 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 2kfp s VAL 61 CO 0.00 -0.67 -0.07 0.27 -0.31 0.00 0.00 175.10 174.32 2kfp s ILE 62 N -2.96 0.51 -0.13 -0.62 -4.36 -0.83 -2.67 121.20 110.15 2kfp s ILE 62 Ca 0.11 -1.34 0.02 0.00 -0.26 0.00 0.00 60.65 59.18 2kfp s ILE 62 Cb 0.00 -0.92 0.00 0.00 1.25 0.00 0.00 42.46 42.79 2kfp s ILE 62 CO -0.00 -0.57 -0.20 -0.62 0.24 0.00 0.00 174.94 173.79 2kfp s ASP 63 N -2.06 3.34 0.21 4.36 -1.08 -0.72 0.30 116.67 121.03 2kfp s ASP 63 Ca -0.04 -0.53 0.08 0.00 -0.52 0.00 0.00 52.55 51.54 2kfp s ASP 63 Cb -0.05 -1.48 -0.05 0.00 -1.46 0.00 0.00 42.92 39.88 2kfp s ASP 63 CO -0.02 0.11 -0.14 -1.48 0.52 0.00 0.00 175.17 174.16 2kfp s LEU 64 N 0.64 2.55 0.09 -1.34 0.05 -1.08 -3.67 118.68 115.93 2kfp s LEU 64 Ca -0.10 -1.03 -0.26 0.00 0.05 0.00 0.00 54.13 52.79 2kfp s LEU 64 Cb -0.16 -0.68 -0.06 0.00 -2.05 0.00 0.00 46.19 43.24 2kfp s LEU 64 CO 0.02 -0.18 0.79 -0.75 -0.55 0.00 0.00 176.35 175.68 2kfp s LYS 65 N -3.65 4.54 0.18 1.48 2.20 -1.26 -2.71 119.74 120.53 2kfp s LYS 65 Ca 0.23 1.13 0.03 0.00 -0.36 0.00 0.00 55.97 57.00 2kfp s LYS 65 Cb -0.01 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 2kfp s LYS 65 CO 0.07 0.38 -0.02 0.14 -0.36 0.00 0.00 175.35 175.56 2kfp s VAL 66 N -0.44 0.87 0.40 4.02 -7.23 0.15 -4.11 120.40 114.07 2kfp s VAL 66 Ca 0.38 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.30 2kfp s VAL 66 Cb -0.22 -2.11 -0.09 0.00 0.56 0.00 0.00 36.38 34.52 2kfp s VAL 66 CO 0.25 -0.50 1.08 -1.10 -0.31 0.00 0.00 175.10 174.52 2kfp s GLN 67 N -3.87 4.12 0.54 4.82 -0.21 -1.26 -4.66 119.66 119.13 2kfp s GLN 67 Ca 0.23 1.61 0.34 0.00 0.02 0.00 0.00 55.36 57.56 2kfp s GLN 67 Cb 0.05 -2.57 1.51 0.00 1.00 0.00 0.00 33.01 33.00 2kfp s GLN 67 CO 0.04 -0.20 1.84 -1.35 -2.12 0.00 0.00 175.29 173.49 2kfp h PRO 68 N 2.52 0.01 0.00 2.91 0.11 -1.94 0.21 132.00 135.82 2kfp h PRO 68 Ca -0.48 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.42 2kfp h PRO 68 Cb 1.22 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 2kfp h PRO 68 CO 0.62 0.01 -1.20 0.93 -0.21 0.00 0.00 178.00 178.15 2kfp h GLU 69 N 0.01 0.00 -0.04 1.05 4.39 -1.92 -3.29 114.58 114.79 2kfp h GLU 69 Ca 0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.21 2kfp h GLU 69 Cb 2.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.69 2kfp h GLU 69 CO -0.02 0.59 0.00 1.28 -1.16 0.00 0.00 179.01 179.70 2kfp n LEU 70 N -3.13 1.33 -0.17 1.33 4.77 0.64 -4.01 117.00 117.76 2kfp n LEU 70 Ca -0.07 -0.47 -0.08 0.00 -0.03 0.00 0.00 56.01 55.36 2kfp n LEU 70 Cb 0.91 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.99 2kfp n LEU 70 CO 0.44 0.23 0.94 1.62 -1.33 0.00 0.00 177.39 179.30 2kfp h VAL 71 N 2.01 1.22 -0.10 4.08 3.04 -1.38 -0.74 116.25 124.38 2kfp h VAL 71 Ca 0.00 -0.69 -0.02 0.00 -1.01 0.00 0.00 66.70 64.99 2kfp h VAL 71 Cb 0.43 0.73 -0.00 0.00 -2.01 0.00 0.00 31.29 30.44 2kfp h VAL 71 CO 0.00 0.26 0.00 1.23 -1.01 0.00 0.00 177.57 178.05 2kfp h GLY 72 N 0.67 0.18 0.94 3.17 0.00 -1.81 0.24 103.07 106.45 2kfp h GLY 72 Ca 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 2kfp h GLY 72 CO -0.01 0.12 0.02 0.23 0.00 0.00 0.00 176.54 176.91 2kfp h SER 73 N -0.11 0.05 -0.40 0.19 0.87 -1.74 0.42 113.55 112.83 2kfp h SER 73 Ca 0.03 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.43 2kfp h SER 73 Cb 0.35 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2kfp h SER 73 CO 0.00 0.10 -0.08 0.25 -0.53 0.00 0.00 176.83 176.58 2kfp h LEU 74 N -0.01 0.77 0.00 2.23 6.46 -1.15 -1.90 115.31 121.71 2kfp h LEU 74 Ca 0.01 -0.35 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 2kfp h LEU 74 Cb 0.06 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 39.78 2kfp h LEU 74 CO -0.00 0.94 0.00 -1.14 -0.62 0.00 0.00 178.44 177.62 2kfp n ARG 75 N -4.35 0.20 -0.02 1.25 0.63 0.83 -2.51 116.66 112.68 2kfp n ARG 75 Ca -0.01 0.09 -0.06 0.00 -0.92 0.00 0.00 57.85 56.95 2kfp n ARG 75 Cb 0.35 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.63 2kfp n ARG 75 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2kfp n LYS 76 N -1.37 0.64 -1.83 -0.14 0.00 0.15 -4.81 118.16 110.80 2kfp n LYS 76 Ca 0.09 0.20 -0.37 0.00 0.00 0.00 0.00 58.31 58.23 2kfp n LYS 76 Cb 0.21 -1.74 0.06 0.00 0.00 0.00 0.00 35.03 33.56 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 -2.69 2.72 0.52 1.64 1.02 -0.77 -4.95 119.74 117.24 2kfp s LYS 77 Ca -0.05 2.01 -0.22 0.00 0.02 0.00 0.00 55.97 57.72 2kfp s LYS 77 Cb 0.08 -1.90 -0.06 0.00 -0.52 0.00 0.00 37.83 35.43 2kfp s LYS 77 CO 0.83 -1.45 1.32 -2.14 -0.92 0.00 0.00 175.35 172.99 2kfp s PRO 78 N -3.32 3.34 0.00 -1.68 0.02 -1.26 -2.92 135.00 129.17 2kfp s PRO 78 Ca 0.80 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.97 2kfp s PRO 78 Cb -0.36 -2.33 0.00 0.00 0.02 0.00 0.00 34.50 31.83 2kfp s PRO 78 CO 0.38 -1.01 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 2kfp n GLY 79 N 0.65 2.73 3.70 0.52 0.00 -1.26 -4.60 105.19 106.93 2kfp n GLY 79 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.13 4.94 0.15 -0.61 1.09 -1.15 -1.73 121.20 122.76 2kfp s ILE 80 Ca 0.00 1.71 0.09 0.00 -1.10 0.00 0.00 60.65 61.35 2kfp s ILE 80 Cb 0.00 -4.17 -0.04 0.00 -1.06 0.00 0.00 42.46 37.19 2kfp s ILE 80 CO 0.00 0.16 -0.20 -0.31 -0.10 0.00 0.00 174.94 174.49 2kfp s TYR 81 N 1.22 1.90 0.96 3.97 2.02 -0.94 -4.81 117.35 121.67 2kfp s TYR 81 Ca 0.43 -0.43 -0.15 0.00 -0.37 0.00 0.00 57.07 56.54 2kfp s TYR 81 Cb -0.19 -0.98 -0.07 0.00 -0.40 0.00 0.00 41.96 40.32 2kfp s TYR 81 CO 0.20 0.31 -0.28 -2.30 -1.57 0.00 0.00 175.55 171.91 2kfp n PRO 82 N 0.59 -0.10 -1.90 -1.71 -0.02 -1.26 -2.49 135.00 128.11 2kfp n PRO 82 Ca -0.15 -0.01 -0.39 0.00 -2.02 0.00 0.00 63.50 60.92 2kfp n PRO 82 Cb 0.55 -1.36 0.02 0.00 -0.02 0.00 0.00 33.50 32.69 2kfp n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kfp s ALA 83 N -2.15 3.11 -2.27 3.55 0.00 -1.26 -4.05 121.76 118.69 2kfp s ALA 83 Ca 0.48 1.32 0.21 0.00 0.00 0.00 0.00 51.96 53.97 2kfp s ALA 83 Cb -0.21 -3.54 0.77 0.00 0.00 0.00 0.00 23.12 20.14 2kfp s ALA 83 CO 0.76 -1.10 1.56 0.98 0.00 0.00 0.00 175.76 177.95 2kfp n TYR 84 N -0.37 0.20 -3.52 0.00 9.36 -1.26 -4.89 117.16 116.68 2kfp n TYR 84 Ca 0.06 -0.10 -0.23 0.00 3.32 0.00 0.00 57.90 60.95 2kfp n TYR 84 Cb 0.44 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 39.17 2kfp n TYR 84 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2kfp s HIS 85 N -1.80 1.62 0.20 2.98 2.46 -1.26 -5.02 115.29 114.47 2kfp s HIS 85 Ca 0.32 -0.77 -0.08 0.00 0.47 0.00 0.00 55.06 55.01 2kfp s HIS 85 Cb 0.17 -2.05 0.14 0.00 -0.13 0.00 0.00 32.58 30.71 2kfp s HIS 85 CO 0.26 -0.72 1.72 0.52 -2.47 0.00 0.00 174.74 174.05 2kfp h MET 86 N 0.54 1.11 -6.49 2.88 2.86 -2.03 -3.42 114.93 110.39 2kfp h MET 86 Ca -0.34 -0.27 -0.53 0.00 -2.06 0.00 0.00 59.70 56.49 2kfp h MET 86 Cb 1.29 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2kfp h MET 86 CO 0.51 0.99 0.53 -0.80 1.06 0.00 0.00 176.91 179.20 2kfp s ASN 87 N -6.48 7.13 -0.32 1.22 0.02 -1.26 -5.00 114.94 110.25 2kfp s ASN 87 Ca -0.12 1.98 0.01 0.00 -1.02 0.00 0.00 52.86 53.71 2kfp s ASN 87 Cb 0.15 -2.58 0.14 0.00 0.02 0.00 0.00 41.25 38.98 2kfp s ASN 87 CO 0.85 -0.42 0.31 -0.75 0.02 0.00 0.00 177.10 177.10 2kfp s LYS 88 N 0.89 0.43 0.00 -0.60 2.20 -1.26 -4.77 119.74 116.63 2kfp s LYS 88 Ca 0.57 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 2kfp s LYS 88 Cb -0.28 -0.75 0.00 0.00 -1.51 0.00 0.00 37.83 35.29 2kfp s LYS 88 CO 0.30 -1.10 0.00 -0.85 -0.36 0.00 0.00 175.35 173.34 2kfp n GLU 89 N 4.88 0.00 -0.02 4.03 0.28 -1.26 -4.95 120.64 123.60 2kfp n GLU 89 Ca 0.03 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.04 2kfp n GLU 89 Cb 0.45 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.25 2kfp n GLU 89 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kfp n HIS 90 N -1.06 0.00 -4.64 -1.84 8.25 -1.26 -4.53 115.22 110.14 2kfp n HIS 90 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 2kfp n HIS 90 Cb 0.00 -0.28 -0.13 0.00 1.12 0.00 0.00 29.99 30.70 2kfp n HIS 90 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kfp s TRP 91 N -2.45 2.89 0.03 4.41 0.51 -1.26 0.33 118.94 123.39 2kfp s TRP 91 Ca -0.04 -0.35 0.02 0.00 -2.12 0.00 0.00 56.10 53.61 2kfp s TRP 91 Cb 0.04 -1.83 -0.02 0.00 -0.81 0.00 0.00 33.47 30.85 2kfp s TRP 91 CO 0.36 -0.01 -0.06 0.42 -0.51 0.00 0.00 176.95 177.15 2kfp s ILE 92 N 0.02 0.40 0.25 2.03 1.09 -1.10 -4.36 121.20 119.52 2kfp s ILE 92 Ca -0.02 -0.82 -0.15 0.00 -1.10 0.00 0.00 60.65 58.56 2kfp s ILE 92 Cb -0.14 -0.45 -0.08 0.00 -1.06 0.00 0.00 42.46 40.73 2kfp s ILE 92 CO 0.03 -0.29 0.66 0.42 -0.10 0.00 0.00 174.94 175.67 2kfp s THR 93 N -1.08 4.73 -0.05 2.92 -4.23 -1.04 -2.62 115.64 114.27 2kfp s THR 93 Ca -0.08 0.93 0.05 0.00 -1.18 0.00 0.00 61.69 61.40 2kfp s THR 93 Cb -0.08 -3.70 -0.00 0.00 1.34 0.00 0.00 72.50 70.06 2kfp s THR 93 CO -0.00 0.02 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.22 2kfp s VAL 94 N -1.74 1.59 -0.40 2.29 1.01 0.15 -2.21 120.40 121.09 2kfp s VAL 94 Ca 0.47 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 61.41 2kfp s VAL 94 Cb -0.13 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.90 2kfp s VAL 94 CO 0.19 0.45 0.82 -0.22 0.00 0.00 0.00 175.10 176.35 2kfp s LEU 95 N 0.04 4.13 0.19 3.92 2.96 -0.70 -1.96 118.68 127.26 2kfp s LEU 95 Ca -0.05 0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.99 2kfp s LEU 95 Cb -0.13 -3.06 0.10 0.00 0.50 0.00 0.00 46.19 43.61 2kfp s LEU 95 CO 0.03 -0.85 1.59 -0.07 -1.32 0.00 0.00 176.35 175.74 2kfp h LEU 96 N 10.02 0.90 0.00 -0.68 3.38 -1.60 -1.53 115.31 125.80 2kfp h LEU 96 Ca -0.24 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2kfp h LEU 96 Cb 1.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2kfp h LEU 96 CO 0.95 1.08 0.00 0.59 0.09 0.00 0.00 178.44 181.15 2kfp n ASN 97 N -4.11 0.00 -4.37 -0.43 5.03 -1.26 -2.63 115.26 107.50 2kfp n ASN 97 Ca 0.00 -0.68 -0.29 0.00 0.87 0.00 0.00 54.58 54.49 2kfp n ASN 97 Cb 0.44 -0.01 0.24 0.00 -1.02 0.00 0.00 39.78 39.44 2kfp n ASN 97 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2kfp s GLY 98 N -2.01 1.53 0.33 7.41 0.00 -0.58 -4.90 107.32 109.10 2kfp s GLY 98 Ca 0.33 -0.37 0.26 0.00 0.00 0.00 0.00 44.72 44.94 2kfp s GLY 98 CO 0.26 0.38 1.78 -0.56 0.00 0.00 0.00 173.10 174.96 2kfp h PRO 99 N -2.55 0.00 -6.89 2.90 0.13 -1.86 -3.45 132.00 120.27 2kfp h PRO 99 Ca -0.57 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.03 2kfp h PRO 99 Cb 1.33 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.55 2kfp h PRO 99 CO 0.49 0.00 0.77 -0.48 -0.23 0.00 0.00 178.00 178.55 2kfp s LEU 100 N -4.92 4.35 0.86 1.56 0.05 -1.26 -4.99 118.68 114.33 2kfp s LEU 100 Ca 0.04 2.93 -0.12 0.00 0.05 0.00 0.00 54.13 57.03 2kfp s LEU 100 Cb 0.09 -3.65 0.11 0.00 -2.05 0.00 0.00 46.19 40.68 2kfp s LEU 100 CO 0.45 -0.80 1.15 -0.83 -0.55 0.00 0.00 176.35 175.76 2kfp s GLY 101 N -0.06 1.59 0.29 -3.48 0.00 -1.26 -4.65 107.32 99.75 2kfp s GLY 101 Ca 0.54 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.74 2kfp s GLY 101 CO 0.57 -0.02 1.81 0.00 0.00 0.00 0.00 173.10 175.46 2kfp h ALA 102 N -1.27 1.21 -0.80 3.20 0.00 -1.97 -2.40 119.26 117.22 2kfp h ALA 102 Ca -0.48 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 2kfp h ALA 102 Cb 1.32 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2kfp h ALA 102 CO 0.63 0.52 0.44 0.87 0.00 0.00 0.00 179.25 181.72 2kfp h LYS 103 N 0.66 1.11 -0.53 0.00 1.79 -2.00 -1.88 116.57 115.73 2kfp h LYS 103 Ca 0.14 -0.12 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 2kfp h LYS 103 Cb 0.39 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2kfp h LYS 103 CO 0.01 0.81 0.03 0.93 -1.08 0.00 0.00 179.45 180.16 2kfp h GLU 104 N 1.12 0.87 -0.50 3.15 5.08 -1.80 -2.34 114.58 120.15 2kfp h GLU 104 Ca 0.28 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2kfp h GLU 104 Cb 0.02 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2kfp h GLU 104 CO -0.05 0.84 0.22 0.82 -1.00 0.00 0.00 179.01 179.84 2kfp h ILE 105 N 0.81 1.21 -0.66 3.13 2.04 -1.10 -1.54 117.51 121.39 2kfp h ILE 105 Ca 0.16 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2kfp h ILE 105 Cb 0.44 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2kfp h ILE 105 CO 0.02 0.24 0.37 0.45 0.00 0.00 0.00 178.15 179.23 2kfp h HIS 106 N 0.67 0.91 -0.46 1.37 3.86 -1.17 -0.16 115.15 120.16 2kfp h HIS 106 Ca 0.17 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2kfp h HIS 106 Cb 0.17 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 2kfp h HIS 106 CO 0.00 0.64 0.23 0.66 0.86 0.00 0.00 177.93 180.32 2kfp h SER 107 N 0.91 0.60 -0.42 2.45 4.64 -1.11 0.13 113.55 120.74 2kfp h SER 107 Ca 0.23 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 2kfp h SER 107 Cb 0.03 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 2kfp h SER 107 CO -0.04 0.55 0.10 -0.07 -0.87 0.00 0.00 176.83 176.50 2kfp h LEU 108 N 0.61 0.65 -0.52 5.97 3.38 -0.93 -2.66 115.31 121.80 2kfp h LEU 108 Ca 0.16 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2kfp h LEU 108 Cb 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2kfp h LEU 108 CO -0.02 0.72 0.14 0.40 0.09 0.00 0.00 178.44 179.77 2kfp h ILE 109 N 0.55 1.24 -0.91 1.22 2.04 -0.79 -2.58 117.51 118.27 2kfp h ILE 109 Ca 0.13 -0.83 0.13 0.00 1.00 0.00 0.00 64.86 65.28 2kfp h ILE 109 Cb 0.32 0.78 -0.09 0.00 -0.74 0.00 0.00 36.82 37.10 2kfp h ILE 109 CO 0.00 0.31 0.54 -0.08 0.00 0.00 0.00 178.15 178.91 2kfp h GLU 110 N 0.73 0.80 -0.47 2.37 4.57 -0.56 -0.22 114.58 121.81 2kfp h GLU 110 Ca 0.17 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2kfp h GLU 110 Cb 0.32 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2kfp h GLU 110 CO -0.00 0.53 0.24 -0.44 -1.18 0.00 0.00 179.01 178.16 2kfp h ASP 111 N 0.83 0.59 -0.72 1.04 3.32 -1.12 -2.30 116.42 118.06 2kfp h ASP 111 Ca 0.47 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 2kfp h ASP 111 Cb 0.53 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 2kfp h ASP 111 CO -0.29 0.53 0.45 0.28 -1.72 0.00 0.00 179.24 178.49 2kfp h SER 112 N 0.61 0.87 -0.64 6.45 0.02 -0.84 -2.45 113.55 117.57 2kfp h SER 112 Ca 0.16 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2kfp h SER 112 Cb 0.08 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 2kfp h SER 112 CO -0.02 0.66 0.40 0.15 -1.14 0.00 0.00 176.83 176.88 2kfp h PHE 113 N 1.00 0.83 -1.00 3.45 3.57 -0.63 -2.46 116.94 121.71 2kfp h PHE 113 Ca 0.26 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.95 2kfp h PHE 113 Cb -0.05 -0.28 -0.11 0.00 2.79 0.00 0.00 35.95 38.31 2kfp h PHE 113 CO 0.00 0.55 0.61 1.96 -2.23 0.00 0.00 178.31 179.21 2kfp h GLN 114 N 0.87 0.76 -0.78 1.11 4.20 -1.06 0.39 115.11 120.60 2kfp h GLN 114 Ca 0.23 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 2kfp h GLN 114 Cb -0.05 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.52 2kfp h GLN 114 CO -0.05 0.50 0.29 -0.07 -0.67 0.00 0.00 178.83 178.84 2kfp h LEU 115 N 0.78 1.10 -1.50 1.46 4.07 -1.47 -2.05 115.31 117.70 2kfp h LEU 115 Ca 0.57 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 58.35 2kfp h LEU 115 Cb 0.87 -0.29 0.00 0.00 1.08 0.00 0.00 40.66 42.32 2kfp h LEU 115 CO -0.38 0.99 0.00 0.35 -1.08 0.00 0.00 178.44 178.32 2kfp n THR 116 N -4.27 0.40 -1.00 0.22 -2.24 0.12 -4.98 114.28 102.54 2kfp n THR 116 Ca 0.07 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.98 2kfp n THR 116 Cb 0.20 0.45 0.04 0.00 -2.10 0.00 0.00 70.33 68.92 2kfp n THR 116 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2kfp n ARG 117 N 0.70 -0.01 -2.94 -0.78 1.85 0.11 -4.87 116.66 110.73 2kfp n ARG 117 Ca 0.16 -0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.61 2kfp n ARG 117 Cb 0.39 -1.01 -0.05 0.00 -1.05 0.00 0.00 32.46 30.74 2kfp n ARG 117 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2kfp s LEU 118 N 7.88 4.50 0.71 2.89 1.43 -1.26 -5.05 118.68 129.79 2kfp s LEU 118 Ca 0.39 1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 2kfp s LEU 118 Cb -0.12 -3.31 0.02 0.00 0.03 0.00 0.00 46.19 42.81 2kfp s LEU 118 CO 0.79 0.06 1.09 -1.83 0.23 0.00 0.00 176.35 176.69 2kfp s GLU 119 N -0.36 2.78 1.82 1.70 -1.05 -1.26 -4.53 118.70 117.79 2kfp s GLU 119 Ca 0.39 0.58 0.00 0.00 -0.15 0.00 0.00 54.97 55.79 2kfp s GLU 119 Cb -0.22 -2.00 0.00 0.00 -0.44 0.00 0.00 34.13 31.47 2kfp s GLU 119 CO 0.25 -1.11 0.00 0.72 0.95 0.00 0.00 175.26 176.07 2kfp n HIS 120 N -3.08 0.00 -2.42 4.83 8.25 -1.26 -4.53 115.22 117.01 2kfp n HIS 120 Ca 0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.10 2kfp n HIS 120 Cb 0.56 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.65 2kfp n HIS 120 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kfp s HIS 121 N 0.00 2.81 -1.50 4.41 3.76 -1.26 -4.86 115.29 118.66 2kfp s HIS 121 Ca 0.00 0.98 0.23 0.00 -0.15 0.00 0.00 55.06 56.12 2kfp s HIS 121 Cb 0.00 -3.57 0.15 0.00 1.11 0.00 0.00 32.58 30.27 2kfp s HIS 121 CO 0.00 -1.71 1.18 1.58 -0.85 0.00 0.00 174.74 174.93 2kfp n HIS 122 N 6.80 0.00 -2.98 1.40 -0.00 -1.26 -4.71 115.22 114.46 2kfp n HIS 122 Ca 0.14 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.22 2kfp n HIS 122 Cb 0.45 -0.06 0.01 0.00 -0.12 0.00 0.00 29.99 30.27 2kfp n HIS 122 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kfp n HIS 123 N -0.84 -2.95 -2.53 1.57 8.25 -1.26 -4.91 115.22 112.56 2kfp n HIS 123 Ca 0.08 1.25 -0.39 0.00 -0.26 0.00 0.00 57.72 58.39 2kfp n HIS 123 Cb 0.38 -3.15 -0.04 0.00 1.12 0.00 0.00 29.99 28.29 2kfp n HIS 123 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kfp s HIS 124 N -1.83 3.55 -1.25 4.41 3.76 -1.26 -5.20 115.29 117.47 2kfp s HIS 124 Ca 0.15 1.71 0.00 0.00 -0.15 0.00 0.00 55.06 56.78 2kfp s HIS 124 Cb -0.03 -3.20 0.00 0.00 1.11 0.00 0.00 32.58 30.45 2kfp s HIS 124 CO 0.67 -0.44 0.31 0.72 -0.85 0.00 0.00 174.74 175.15