#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 5.75 0.18 6.12 0.02 -1.26 -4.76 114.94 120.98 2kfp s ASN 2 Ca 0.00 0.09 -0.12 0.00 -1.02 0.00 0.00 52.86 51.82 2kfp s ASN 2 Cb 0.00 -1.30 0.08 0.00 0.02 0.00 0.00 41.25 40.05 2kfp s ASN 2 CO 0.00 -0.73 1.74 -0.09 0.02 0.00 0.00 177.10 178.03 2kfp h ARG 3 N 0.45 0.90 -0.65 -0.60 2.43 -2.00 -2.14 114.38 112.78 2kfp h ARG 3 Ca -0.45 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 58.50 2kfp h ARG 3 Cb 1.26 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 2kfp h ARG 3 CO 0.55 0.76 0.17 0.37 -1.51 0.00 0.00 179.97 180.31 2kfp h GLN 4 N 0.84 1.01 -0.76 0.20 -0.00 -2.00 -2.50 115.11 111.90 2kfp h GLN 4 Ca 0.20 -0.22 -0.05 0.00 -0.00 0.00 0.00 58.65 58.58 2kfp h GLN 4 Cb 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 27.48 27.49 2kfp h GLN 4 CO -0.02 0.88 0.27 1.96 0.00 0.00 0.00 178.83 181.92 2kfp h GLN 5 N 0.97 1.15 -0.28 1.69 1.08 -1.87 -0.97 115.11 116.88 2kfp h GLN 5 Ca 0.21 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2kfp h GLN 5 Cb 0.32 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2kfp h GLN 5 CO -0.00 0.95 0.14 0.35 -0.95 0.00 0.00 178.83 179.32 2kfp h PHE 6 N 1.11 0.39 -0.40 2.96 3.57 -0.98 0.30 116.94 123.89 2kfp h PHE 6 Ca 0.25 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 2kfp h PHE 6 Cb 0.26 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2kfp h PHE 6 CO 0.02 0.34 0.09 0.82 -2.23 0.00 0.00 178.31 177.36 2kfp h ILE 7 N 0.33 1.23 -0.53 1.41 2.04 -1.22 -1.85 117.51 118.92 2kfp h ILE 7 Ca 0.10 -0.80 -0.09 0.00 1.00 0.00 0.00 64.86 65.07 2kfp h ILE 7 Cb 0.09 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2kfp h ILE 7 CO -0.01 0.28 -0.02 0.44 0.00 0.00 0.00 178.15 178.83 2kfp h ASP 8 N 0.51 0.89 -0.50 1.72 3.32 -0.98 -2.41 116.42 118.96 2kfp h ASP 8 Ca 0.13 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2kfp h ASP 8 Cb 0.32 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2kfp h ASP 8 CO 0.00 0.96 0.27 0.22 -1.72 0.00 0.00 179.24 178.97 2kfp h TYR 9 N 0.84 0.68 -0.50 4.55 3.20 -0.13 -2.54 116.97 123.07 2kfp h TYR 9 Ca 0.15 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 2kfp h TYR 9 Cb 0.53 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2kfp h TYR 9 CO 0.03 0.51 0.08 0.00 -1.64 0.00 0.00 178.16 177.14 2kfp h ALA 10 N 1.11 1.21 -0.51 1.82 0.00 -1.12 -2.40 119.26 119.37 2kfp h ALA 10 Ca 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2kfp h ALA 10 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2kfp h ALA 10 CO -0.03 0.53 0.27 1.96 0.00 0.00 0.00 179.25 181.98 2kfp h GLN 11 N 0.74 0.72 -0.49 0.00 1.08 -1.03 1.17 115.11 117.30 2kfp h GLN 11 Ca 0.16 -0.09 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 2kfp h GLN 11 Cb 0.34 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 2kfp h GLN 11 CO 0.01 0.58 -0.11 0.87 -0.95 0.00 0.00 178.83 179.23 2kfp h LYS 12 N 0.68 0.90 0.00 1.46 1.57 -1.29 2.87 116.57 122.76 2kfp h LYS 12 Ca 0.18 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2kfp h LYS 12 Cb 0.07 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2kfp h LYS 12 CO -0.03 0.96 -0.48 1.63 -0.57 0.00 0.00 179.45 180.96 2kfp n LYS 13 N -4.15 0.10 0.00 3.15 4.76 -0.92 -4.53 118.16 116.57 2kfp n LYS 13 Ca 0.02 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2kfp n LYS 13 Cb 0.38 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 2kfp n LYS 13 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2kfp n TYR 14 N -1.72 0.00 -2.86 2.13 4.01 0.40 -5.01 117.16 114.11 2kfp n TYR 14 Ca 0.05 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.60 2kfp n TYR 14 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 2kfp n TYR 14 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2kfp n ASP 15 N -0.08 -4.60 -4.72 7.72 8.00 0.96 -4.93 116.55 118.90 2kfp n ASP 15 Ca 0.00 -0.12 -0.35 0.00 0.71 0.00 0.00 54.79 55.02 2kfp n ASP 15 Cb 0.00 -3.81 -0.09 0.00 -0.02 0.00 0.00 41.12 37.21 2kfp n ASP 15 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2kfp s THR 16 N -2.89 4.92 0.37 -3.53 -1.32 -1.26 -4.99 115.64 106.94 2kfp s THR 16 Ca 0.20 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.49 2kfp s THR 16 Cb -0.10 -3.17 -0.10 0.00 -1.51 0.00 0.00 72.50 67.62 2kfp s THR 16 CO 0.24 0.53 0.86 -1.59 -2.21 0.00 0.00 174.62 172.45 2kfp s LYS 17 N -0.29 4.18 0.59 7.08 -2.85 -1.26 -4.70 119.74 122.49 2kfp s LYS 17 Ca 0.09 0.95 -0.18 0.00 -1.00 0.00 0.00 55.97 55.84 2kfp s LYS 17 Cb -0.12 -2.37 -0.03 0.00 -2.06 0.00 0.00 37.83 33.25 2kfp s LYS 17 CO 0.01 0.09 1.13 -1.25 0.10 0.00 0.00 175.35 175.44 2kfp s PRO 18 N -2.93 3.10 -0.05 1.78 0.04 -1.26 -4.85 135.00 130.83 2kfp s PRO 18 Ca 0.57 1.54 0.01 0.00 0.04 0.00 0.00 61.00 63.17 2kfp s PRO 18 Cb -0.11 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.47 2kfp s PRO 18 CO 0.16 -1.04 -0.07 -0.51 0.04 0.00 0.00 177.00 175.58 2kfp s ASP 19 N -2.07 1.16 -0.45 6.66 1.01 -0.92 -4.92 116.67 117.13 2kfp s ASP 19 Ca 0.71 -0.18 0.03 0.00 0.71 0.00 0.00 52.55 53.82 2kfp s ASP 19 Cb -0.23 -0.55 0.15 0.00 1.01 0.00 0.00 42.92 43.30 2kfp s ASP 19 CO 0.33 -0.02 0.29 -1.38 0.21 0.00 0.00 175.17 174.60 2kfp s HIS 20 N 0.79 1.79 0.38 4.23 -3.43 -1.26 0.21 115.29 118.00 2kfp s HIS 20 Ca -0.12 -2.39 0.10 0.00 -0.80 0.00 0.00 55.06 51.84 2kfp s HIS 20 Cb -0.15 -1.62 0.86 0.00 -1.43 0.00 0.00 32.58 30.25 2kfp s HIS 20 CO 0.01 -0.77 1.93 -1.35 -2.00 0.00 0.00 174.74 172.56 2kfp h PRO 21 N 6.35 0.61 -6.35 -0.38 0.11 -1.94 -3.37 132.00 127.02 2kfp h PRO 21 Ca 0.09 -0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.60 2kfp h PRO 21 Cb 0.91 -0.14 -0.09 0.00 0.11 0.00 0.00 31.00 31.79 2kfp h PRO 21 CO 0.45 0.40 0.92 -1.58 -0.21 0.00 0.00 178.00 177.99 2kfp s TRP 22 N -5.59 2.55 0.26 0.65 0.51 -1.26 -4.86 118.94 111.19 2kfp s TRP 22 Ca -0.09 0.17 0.01 0.00 -2.12 0.00 0.00 56.10 54.07 2kfp s TRP 22 Cb 0.20 -4.47 0.34 0.00 -0.81 0.00 0.00 33.47 28.73 2kfp s TRP 22 CO 0.77 -1.69 1.68 1.05 -0.51 0.00 0.00 176.95 178.25 2kfp h GLU 23 N 9.65 0.51 0.00 4.98 -0.00 -2.00 -2.19 114.58 125.53 2kfp h GLU 23 Ca -0.26 -0.21 0.00 0.00 -0.00 0.00 0.00 59.36 58.89 2kfp h GLU 23 Cb 1.06 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.79 2kfp h GLU 23 CO 1.20 0.76 0.00 1.63 -0.00 0.00 0.00 179.01 182.59 2kfp n LYS 24 N -4.09 0.25 -3.29 1.06 5.02 -1.26 -3.53 118.16 112.32 2kfp n LYS 24 Ca -0.01 0.10 -0.25 0.00 -2.02 0.00 0.00 58.31 56.13 2kfp n LYS 24 Cb 0.44 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.16 0.54 0.32 2.13 3.01 -0.82 -4.93 117.46 116.56 2kfp n PHE 25 Ca 0.07 -3.68 0.15 0.00 1.01 0.00 0.00 57.45 55.00 2kfp n PHE 25 Cb 0.07 -0.33 0.64 0.00 -0.01 0.00 0.00 39.48 39.85 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 4.27 0.00 -0.00 -1.08 0.13 -1.70 -2.09 132.00 131.53 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 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2kfp h PRO 26 CO 0.54 0.00 -0.00 -0.25 -0.23 0.00 0.00 178.00 178.05 2kfp n ASP 27 N -2.70 0.01 -4.69 1.44 8.00 -1.26 -4.74 116.55 112.61 2kfp n ASP 27 Ca 0.01 -0.12 -0.35 0.00 0.71 0.00 0.00 54.79 55.04 2kfp n ASP 27 Cb 0.24 -0.29 -0.09 0.00 -0.02 0.00 0.00 41.12 40.96 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 -2.59 3.27 0.03 1.24 1.51 -0.79 -4.33 117.35 115.68 2kfp s TYR 28 Ca 0.28 0.18 0.02 0.00 -1.01 0.00 0.00 57.07 56.54 2kfp s TYR 28 Cb 0.20 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 2kfp s TYR 28 CO 0.47 0.38 -0.06 0.00 -1.11 0.00 0.00 175.55 175.22 2kfp s ALA 29 N -0.41 0.47 -0.12 3.71 0.00 -0.75 -4.60 121.76 120.05 2kfp s ALA 29 Ca 0.09 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2kfp s ALA 29 Cb -0.12 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.04 2kfp s ALA 29 CO 0.02 -0.02 -0.21 0.08 0.00 0.00 0.00 175.76 175.63 2kfp s VAL 30 N -1.12 1.97 -0.26 0.00 1.01 0.13 -1.23 120.40 120.90 2kfp s VAL 30 Ca -0.08 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 2kfp s VAL 30 Cb -0.08 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 2kfp s VAL 30 CO 0.00 0.53 0.04 -0.36 0.00 0.00 0.00 175.10 175.31 2kfp s PHE 31 N 0.72 3.08 0.02 5.22 0.08 0.18 -2.16 117.98 125.12 2kfp s PHE 31 Ca -0.10 -0.83 -0.14 0.00 0.12 0.00 0.00 56.93 55.99 2kfp s PHE 31 Cb -0.16 -2.20 0.02 0.00 -0.57 0.00 0.00 43.02 40.11 2kfp s PHE 31 CO 0.01 -0.51 0.29 -0.98 -0.10 0.00 0.00 175.22 173.93 2kfp s ARG 32 N 1.52 0.75 0.01 0.44 1.70 -1.26 -2.67 118.95 119.43 2kfp s ARG 32 Ca 0.04 -0.41 -0.26 0.00 -0.47 0.00 0.00 55.73 54.63 2kfp s ARG 32 Cb -0.16 0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 34.50 2kfp s ARG 32 CO 0.01 -0.23 0.81 -1.01 -1.08 0.00 0.00 175.30 173.81 2kfp s HIS 33 N -2.13 3.68 0.16 5.89 3.76 -1.26 -4.96 115.29 120.43 2kfp s HIS 33 Ca -0.08 1.49 -0.10 0.00 -0.15 0.00 0.00 55.06 56.22 2kfp s HIS 33 Cb -0.02 -2.91 0.01 0.00 1.11 0.00 0.00 32.58 30.77 2kfp s HIS 33 CO -0.01 0.14 1.56 0.77 -0.85 0.00 0.00 174.74 176.36 2kfp h SER 34 N 6.26 1.02 0.07 1.40 0.02 -2.00 0.04 113.55 120.37 2kfp h SER 34 Ca -0.42 -0.38 -0.35 0.00 -0.84 0.00 0.00 61.79 59.80 2kfp h SER 34 Cb 1.21 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 2kfp h SER 34 CO 0.73 1.17 -2.00 0.47 -1.14 0.00 0.00 176.83 176.06 2kfp n ASP 35 N -4.14 2.04 -1.96 3.07 8.00 -1.26 -4.15 116.55 118.15 2kfp n ASP 35 Ca 0.01 0.19 -0.19 0.00 0.71 0.00 0.00 54.79 55.50 2kfp n ASP 35 Cb 0.43 -0.80 0.12 0.00 -0.02 0.00 0.00 41.12 40.86 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 -3.66 4.19 -4.34 -2.24 4.13 -1.25 -4.90 115.26 107.19 2kfp n ASN 36 Ca -0.36 -3.25 -0.10 0.00 1.68 0.00 0.00 54.58 52.55 2kfp n ASN 36 Cb 0.96 -0.80 -0.09 0.00 -1.54 0.00 0.00 39.78 38.31 2kfp n ASN 36 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2kfp n ASP 37 N -0.66 -0.43 0.00 6.41 5.75 -0.00 -3.81 116.55 123.81 2kfp n ASP 37 Ca 0.45 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 2kfp n ASP 37 Cb 1.25 -1.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 2kfp n ASP 37 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2kfp n LYS 38 N 6.33 2.71 -3.80 0.11 0.00 -1.26 -4.99 118.16 117.26 2kfp n LYS 38 Ca 0.32 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 58.28 2kfp n LYS 38 Cb 0.41 -0.32 -0.09 0.00 0.00 0.00 0.00 35.03 35.03 2kfp n LYS 38 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.40 179.07 2kfp s TRP 39 N -0.29 3.31 -0.14 5.64 1.48 -1.25 -5.01 118.94 122.69 2kfp s TRP 39 Ca 0.00 0.18 -0.01 0.00 -1.06 0.00 0.00 56.10 55.20 2kfp s TRP 39 Cb 0.00 -2.17 -0.02 0.00 -1.16 0.00 0.00 33.47 30.12 2kfp s TRP 39 CO 0.00 0.14 -0.10 0.71 -4.06 0.00 0.00 176.95 173.65 2kfp s TYR 40 N 0.64 2.88 -0.18 1.66 2.02 -1.26 -4.37 117.35 118.74 2kfp s TYR 40 Ca 0.06 -0.54 -0.07 0.00 -0.37 0.00 0.00 57.07 56.16 2kfp s TYR 40 Cb -0.12 -1.89 0.08 0.00 -0.40 0.00 0.00 41.96 39.63 2kfp s TYR 40 CO 0.01 -0.16 0.38 0.00 -1.57 0.00 0.00 175.55 174.21 2kfp s ALA 41 N 0.37 -1.01 0.09 3.71 0.00 -1.09 -3.80 121.76 120.03 2kfp s ALA 41 Ca -0.08 1.38 0.09 0.00 0.00 0.00 0.00 51.96 53.35 2kfp s ALA 41 Cb -0.15 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 2kfp s ALA 41 CO 0.05 -0.68 -0.24 -0.48 0.00 0.00 0.00 175.76 174.41 2kfp s LEU 42 N 2.44 2.26 -0.16 0.00 2.34 -1.24 0.51 118.68 124.83 2kfp s LEU 42 Ca -0.02 -0.66 -0.00 0.00 0.06 0.00 0.00 54.13 53.51 2kfp s LEU 42 Cb -0.12 -1.10 -0.01 0.00 -0.56 0.00 0.00 46.19 44.41 2kfp s LEU 42 CO -0.12 0.16 -0.13 -0.22 -1.06 0.00 0.00 176.35 174.98 2kfp s LEU 43 N -1.70 2.59 0.16 1.48 0.20 -0.36 -2.52 118.68 118.52 2kfp s LEU 43 Ca 0.10 -0.42 -0.20 0.00 0.69 0.00 0.00 54.13 54.30 2kfp s LEU 43 Cb -0.10 -1.59 0.05 0.00 -0.43 0.00 0.00 46.19 44.12 2kfp s LEU 43 CO 0.04 0.10 0.54 0.00 -0.29 0.00 0.00 176.35 176.74 2kfp s MET 44 N 0.76 1.27 -0.07 1.98 0.23 -1.11 -1.81 119.30 120.55 2kfp s MET 44 Ca -0.06 -0.62 -0.06 0.00 -1.03 0.00 0.00 55.69 53.93 2kfp s MET 44 Cb -0.15 0.55 -0.04 0.00 -1.53 0.00 0.00 34.83 33.65 2kfp s MET 44 CO 0.01 -0.54 0.17 -0.51 -2.03 0.00 0.00 175.02 172.12 2kfp s ASP 45 N -2.79 6.40 -0.05 -1.18 1.01 -1.26 -2.50 116.67 116.29 2kfp s ASP 45 Ca 0.03 0.44 -0.13 0.00 0.71 0.00 0.00 52.55 53.60 2kfp s ASP 45 Cb -0.01 -2.05 0.03 0.00 1.01 0.00 0.00 42.92 41.90 2kfp s ASP 45 CO -0.10 0.34 0.31 0.27 0.21 0.00 0.00 175.17 176.20 2kfp s ILE 46 N -1.16 0.04 0.40 0.77 -4.36 -0.92 -4.97 121.20 111.00 2kfp s ILE 46 Ca 0.21 -0.32 -0.24 0.00 -0.26 0.00 0.00 60.65 60.04 2kfp s ILE 46 Cb -0.12 -0.56 -0.12 0.00 1.25 0.00 0.00 42.46 42.91 2kfp s ILE 46 CO 0.10 -0.17 0.83 -2.65 0.24 0.00 0.00 174.94 173.29 2kfp n PRO 47 N 1.85 1.01 0.30 0.37 -0.02 -1.26 -2.65 135.00 134.59 2kfp n PRO 47 Ca -0.19 0.36 0.18 0.00 -2.02 0.00 0.00 63.50 61.83 2kfp n PRO 47 Cb 0.57 -1.79 0.90 0.00 -0.02 0.00 0.00 33.50 33.15 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 1.28 1.11 0.00 3.55 0.00 -0.54 -1.53 119.26 123.12 2kfp h ALA 48 Ca -0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kfp h ALA 48 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2kfp h ALA 48 CO 0.55 0.05 0.00 1.05 0.00 0.00 0.00 179.25 180.90 2kfp h GLU 49 N 0.00 0.00 0.00 0.00 4.11 -0.12 -2.57 114.58 116.00 2kfp h GLU 49 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kfp h GLU 49 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2kfp h GLU 49 CO 0.01 0.00 -0.25 1.63 0.07 0.00 0.00 179.01 180.47 2kfp n LYS 50 N -2.50 0.00 -0.10 1.06 4.01 -0.58 -3.36 118.16 116.69 2kfp n LYS 50 Ca 0.04 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.94 2kfp n LYS 50 Cb 0.40 -1.50 0.14 0.00 -0.51 0.00 0.00 35.03 33.56 2kfp n LYS 50 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 2kfp n ILE 51 N -1.51 0.33 -0.01 -0.18 -5.35 -1.15 -4.73 119.36 106.77 2kfp n ILE 51 Ca 0.06 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 2kfp n ILE 51 Cb 0.34 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 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 1.17 0.18 3.71 3.28 0.00 -1.21 -4.88 105.19 107.44 2kfp n GLY 52 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.05 4.98 -0.94 -0.61 1.01 -0.98 -4.94 121.20 117.66 2kfp s ILE 53 Ca 0.00 1.69 -0.25 0.00 0.00 0.00 0.00 60.65 62.09 2kfp s ILE 53 Cb 0.00 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.21 2kfp s ILE 53 CO 0.00 0.21 2.10 0.20 0.00 0.00 0.00 174.94 177.46 2kfp s ASN 54 N 0.88 4.52 -0.30 3.58 0.02 -1.26 -3.42 114.94 118.97 2kfp s ASN 54 Ca 0.43 -0.68 -0.22 0.00 -1.02 0.00 0.00 52.86 51.37 2kfp s ASN 54 Cb -0.19 -2.57 0.18 0.00 0.02 0.00 0.00 41.25 38.69 2kfp s ASN 54 CO 0.22 -3.41 1.29 -0.83 0.02 0.00 0.00 177.10 174.39 2kfp s GLY 55 N 8.65 0.33 -0.04 0.66 0.00 -1.26 -5.00 107.32 110.67 2kfp s GLY 55 Ca 0.78 3.47 0.17 0.00 0.00 0.00 0.00 44.72 49.13 2kfp s GLY 55 CO 0.07 2.22 1.45 1.22 0.00 0.00 0.00 173.10 178.05 2kfp n ASP 56 N 2.28 3.48 -4.78 1.64 8.00 -1.26 0.36 116.55 126.27 2kfp n ASP 56 Ca -0.13 -2.14 -0.37 0.00 0.71 0.00 0.00 54.79 52.85 2kfp n ASP 56 Cb 0.57 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 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 -1.44 4.24 0.20 -1.24 -2.85 -1.26 -4.56 119.74 112.82 2kfp s LYS 57 Ca 0.40 1.58 -0.30 0.00 -1.00 0.00 0.00 55.97 56.65 2kfp s LYS 57 Cb 0.23 -2.66 -0.08 0.00 -2.06 0.00 0.00 37.83 33.26 2kfp s LYS 57 CO 0.24 -0.09 1.06 0.50 0.10 0.00 0.00 175.35 177.16 2kfp s ARG 58 N -2.30 4.65 0.14 1.78 3.52 -1.26 -0.11 118.95 125.37 2kfp s ARG 58 Ca 0.55 1.67 0.03 0.00 -0.13 0.00 0.00 55.73 57.85 2kfp s ARG 58 Cb -0.24 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 2kfp s ARG 58 CO 0.30 0.18 -0.05 0.14 -0.81 0.00 0.00 175.30 175.06 2kfp s VAL 59 N -0.52 0.84 -0.22 7.11 -7.23 -1.08 -4.87 120.40 114.43 2kfp s VAL 59 Ca 0.47 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.55 2kfp s VAL 59 Cb -0.29 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 2kfp s VAL 59 CO 0.35 -0.70 0.13 -0.62 -0.31 0.00 0.00 175.10 173.96 2kfp s ASP 60 N -3.13 6.06 0.12 4.85 -1.08 -1.26 -2.16 116.67 120.07 2kfp s ASP 60 Ca 0.17 0.15 0.04 0.00 -0.52 0.00 0.00 52.55 52.39 2kfp s ASP 60 Cb 0.05 -2.08 -0.04 0.00 -1.46 0.00 0.00 42.92 39.39 2kfp s ASP 60 CO -0.00 0.12 -0.09 0.68 0.52 0.00 0.00 175.17 176.40 2kfp s VAL 61 N 0.69 0.99 0.06 1.11 -7.23 -1.04 -1.36 120.40 113.63 2kfp s VAL 61 Ca 0.07 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 2kfp s VAL 61 Cb -0.12 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 2kfp s VAL 61 CO 0.01 -0.71 -0.08 0.27 -0.31 0.00 0.00 175.10 174.28 2kfp s ILE 62 N -3.09 0.68 0.04 -0.62 -4.36 -0.95 -2.74 121.20 110.17 2kfp s ILE 62 Ca 0.12 -1.36 0.07 0.00 -0.26 0.00 0.00 60.65 59.22 2kfp s ILE 62 Cb 0.01 -0.98 -0.03 0.00 1.25 0.00 0.00 42.46 42.71 2kfp s ILE 62 CO -0.01 -0.49 -0.18 -1.81 0.24 0.00 0.00 174.94 172.69 2kfp s ASP 63 N -2.02 3.81 0.05 4.36 1.11 -1.05 -0.48 116.67 122.46 2kfp s ASP 63 Ca -0.03 -0.43 -0.00 0.00 0.18 0.00 0.00 52.55 52.27 2kfp s ASP 63 Cb -0.06 -0.61 -0.04 0.00 1.07 0.00 0.00 42.92 43.28 2kfp s ASP 63 CO -0.01 0.25 -0.04 -1.48 1.18 0.00 0.00 175.17 175.08 2kfp s LEU 64 N -1.46 2.44 0.06 1.23 0.05 -1.08 -3.63 118.68 116.28 2kfp s LEU 64 Ca 0.15 -0.89 -0.21 0.00 0.05 0.00 0.00 54.13 53.22 2kfp s LEU 64 Cb -0.10 0.14 -0.06 0.00 -2.05 0.00 0.00 46.19 44.11 2kfp s LEU 64 CO 0.05 -0.52 0.63 -0.75 -0.55 0.00 0.00 176.35 175.22 2kfp s LYS 65 N -3.37 4.33 0.12 1.48 2.20 -1.25 -2.33 119.74 120.92 2kfp s LYS 65 Ca 0.03 0.84 -0.05 0.00 -0.36 0.00 0.00 55.97 56.43 2kfp s LYS 65 Cb 0.04 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 2kfp s LYS 65 CO -0.07 0.49 0.13 0.14 -0.36 0.00 0.00 175.35 175.68 2kfp s VAL 66 N -0.67 0.12 0.55 4.02 -7.23 -1.00 -4.43 120.40 111.76 2kfp s VAL 66 Ca 0.32 -1.60 -0.16 0.00 -1.81 0.00 0.00 61.98 58.73 2kfp s VAL 66 Cb -0.20 -1.76 -0.06 0.00 0.56 0.00 0.00 36.38 34.92 2kfp s VAL 66 CO 0.20 -0.55 1.01 -1.10 -0.31 0.00 0.00 175.10 174.36 2kfp s GLN 67 N -3.97 3.70 0.58 4.82 -0.21 -1.26 -4.66 119.66 118.67 2kfp s GLN 67 Ca 0.15 1.04 0.36 0.00 0.02 0.00 0.00 55.36 56.92 2kfp s GLN 67 Cb 0.06 -2.10 1.76 0.00 1.00 0.00 0.00 33.01 33.73 2kfp s GLN 67 CO -0.03 -0.48 2.14 -1.00 -2.12 0.00 0.00 175.29 173.80 2kfp h PRO 68 N 0.69 0.00 0.00 2.91 0.13 -1.97 -1.48 132.00 132.28 2kfp h PRO 68 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 2kfp h PRO 68 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2kfp h PRO 68 CO 0.60 0.04 -1.28 0.93 -0.23 0.00 0.00 178.00 178.06 2kfp h GLU 69 N 0.00 0.00 -0.42 0.86 5.08 -1.97 -3.30 114.58 114.84 2kfp h GLU 69 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kfp h GLU 69 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2kfp h GLU 69 CO 0.00 0.43 0.00 1.28 -1.00 0.00 0.00 179.01 179.73 2kfp n LEU 70 N -3.02 3.05 -0.11 1.33 4.77 -0.83 -4.27 117.00 117.90 2kfp n LEU 70 Ca -0.08 -1.38 -0.02 0.00 -0.03 0.00 0.00 56.01 54.50 2kfp n LEU 70 Cb 0.88 -0.27 0.23 0.00 -2.33 0.00 0.00 43.42 41.92 2kfp n LEU 70 CO 0.43 0.69 1.01 1.62 -1.33 0.00 0.00 177.39 179.82 2kfp h VAL 71 N 3.75 1.21 0.00 4.08 3.04 -1.37 -1.75 116.25 125.21 2kfp h VAL 71 Ca 0.00 -0.71 -0.02 0.00 -1.01 0.00 0.00 66.70 64.95 2kfp h VAL 71 Cb 0.83 0.63 -0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2kfp h VAL 71 CO 0.00 0.27 -0.10 1.23 -1.01 0.00 0.00 177.57 177.96 2kfp h GLY 72 N 0.93 0.00 0.90 3.17 0.00 -1.83 -1.85 103.07 104.39 2kfp h GLY 72 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 2kfp h GLY 72 CO -0.01 0.00 -0.39 1.76 0.00 0.00 0.00 176.54 177.90 2kfp h SER 73 N 0.00 -0.93 0.78 0.19 0.02 -1.58 -2.59 113.55 109.44 2kfp h SER 73 Ca -0.00 0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.74 2kfp h SER 73 Cb 0.76 0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 2kfp h SER 73 CO 0.01 -0.61 -1.32 0.17 -1.14 0.00 0.00 176.83 173.95 2kfp h LEU 74 N -1.21 0.00 -1.75 5.07 -0.00 -1.65 -3.32 115.31 112.45 2kfp h LEU 74 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.76 2kfp h LEU 74 Cb 0.85 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.51 2kfp h LEU 74 CO 0.18 0.93 -0.06 -0.09 -0.00 0.00 0.00 178.44 179.40 2kfp h ARG 75 N 0.00 0.00 -0.00 0.17 2.43 -1.42 -1.72 114.38 113.84 2kfp h ARG 75 Ca -0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2kfp h ARG 75 Cb 1.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.38 2kfp h ARG 75 CO 0.09 0.06 -0.36 0.36 -1.51 0.00 0.00 179.97 178.62 2kfp n LYS 76 N -3.24 0.29 -2.59 0.20 -0.00 -0.98 -4.84 118.16 107.00 2kfp n LYS 76 Ca -0.01 -0.16 -0.34 0.00 -0.00 0.00 0.00 58.31 57.80 2kfp n LYS 76 Cb 0.27 -1.50 -0.04 0.00 -0.00 0.00 0.00 35.03 33.77 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 -2.81 3.96 0.34 -1.58 -0.14 -0.65 -5.00 119.74 113.85 2kfp s LYS 77 Ca 0.17 1.35 -0.28 0.00 -1.36 0.00 0.00 55.97 55.85 2kfp s LYS 77 Cb 0.18 -2.21 -0.10 0.00 -1.68 0.00 0.00 37.83 34.02 2kfp s LYS 77 CO 0.62 -0.29 1.25 -1.25 -0.76 0.00 0.00 175.35 174.91 2kfp s PRO 78 N -3.05 4.32 0.00 -1.68 0.04 -1.26 -2.78 135.00 130.58 2kfp s PRO 78 Ca 0.64 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2kfp s PRO 78 Cb -0.16 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2kfp s PRO 78 CO 0.20 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.48 2kfp n GLY 79 N 0.83 3.10 3.67 0.56 0.00 -1.26 -4.63 105.19 107.45 2kfp n GLY 79 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.56 5.03 0.12 -0.61 1.09 -1.12 -2.07 121.20 122.09 2kfp s ILE 80 Ca 0.00 1.20 0.09 0.00 -1.10 0.00 0.00 60.65 60.84 2kfp s ILE 80 Cb 0.00 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.42 2kfp s ILE 80 CO 0.00 0.13 -0.22 -0.31 -0.10 0.00 0.00 174.94 174.45 2kfp s TYR 81 N 1.74 1.92 0.77 3.97 2.02 -0.73 -4.78 117.35 122.26 2kfp s TYR 81 Ca 0.29 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.46 2kfp s TYR 81 Cb -0.16 -1.03 0.06 0.00 -0.40 0.00 0.00 41.96 40.43 2kfp s TYR 81 CO 0.11 0.27 1.11 -1.25 -1.57 0.00 0.00 175.55 174.22 2kfp s PRO 82 N -2.13 2.18 -0.48 -1.71 0.04 -1.26 -1.74 135.00 129.90 2kfp s PRO 82 Ca 0.10 1.31 -0.15 0.00 0.04 0.00 0.00 61.00 62.30 2kfp s PRO 82 Cb -0.09 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.43 2kfp s PRO 82 CO 0.05 -1.72 1.70 0.00 0.04 0.00 0.00 177.00 177.07 2kfp n ALA 83 N -3.34 2.65 -0.54 8.56 0.00 -1.25 -4.47 120.51 122.10 2kfp n ALA 83 Ca 0.10 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.43 2kfp n ALA 83 Cb 0.52 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.73 2kfp n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kfp n TYR 84 N 6.40 0.00 -0.31 0.00 4.01 -1.26 -2.62 117.16 123.37 2kfp n TYR 84 Ca 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 2kfp n TYR 84 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 2kfp n TYR 84 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 2kfp n HIS 85 N 0.00 0.00 -0.24 -0.72 -0.00 -1.26 -4.97 115.22 108.03 2kfp n HIS 85 Ca 0.00 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.11 2kfp n HIS 85 Cb 0.00 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 29.91 2kfp n HIS 85 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 2kfp h MET 86 N 0.00 1.03 0.00 1.57 2.86 -1.92 -3.42 114.93 115.04 2kfp h MET 86 Ca 0.00 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2kfp h MET 86 Cb 0.03 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.54 2kfp h MET 86 CO 0.00 0.89 0.00 0.09 1.06 0.00 0.00 176.91 178.95 2kfp n ASN 87 N -4.35 0.00 -1.55 1.22 4.13 -1.25 -5.14 115.26 108.32 2kfp n ASN 87 Ca 0.05 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.31 2kfp n ASN 87 Cb 0.21 -0.01 -0.00 0.00 -1.54 0.00 0.00 39.78 38.45 2kfp n ASN 87 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2kfp n LYS 88 N -1.81 -3.79 0.00 3.52 4.81 -1.24 -4.58 118.16 115.07 2kfp n LYS 88 Ca 0.00 2.95 0.00 0.00 -0.87 0.00 0.00 58.31 60.39 2kfp n LYS 88 Cb 0.00 -3.75 0.00 0.00 0.02 0.00 0.00 35.03 31.30 2kfp n LYS 88 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2kfp n GLU 89 N -2.60 0.00 0.11 1.64 2.13 -1.26 -4.24 120.64 116.42 2kfp n GLU 89 Ca -0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 2kfp n GLU 89 Cb 0.45 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.08 2kfp n GLU 89 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2kfp h HIS 90 N 0.00 -0.24 -3.68 4.31 3.86 -1.83 -3.41 115.15 114.16 2kfp h HIS 90 Ca 0.00 -0.01 -0.68 0.00 -1.16 0.00 0.00 60.37 58.52 2kfp h HIS 90 Cb 0.00 0.08 -0.31 0.00 1.06 0.00 0.00 27.41 28.24 2kfp h HIS 90 CO 0.00 0.05 -0.86 -1.58 0.86 0.00 0.00 177.93 176.40 2kfp s TRP 91 N -5.01 2.54 -0.08 2.45 0.51 -1.26 -2.37 118.94 115.72 2kfp s TRP 91 Ca -0.15 -0.81 0.04 0.00 -2.12 0.00 0.00 56.10 53.06 2kfp s TRP 91 Cb 0.03 -1.67 -0.01 0.00 -0.81 0.00 0.00 33.47 31.01 2kfp s TRP 91 CO 0.61 -0.27 -0.19 0.42 -0.51 0.00 0.00 176.95 177.00 2kfp s ILE 92 N 0.05 2.53 0.17 2.03 -1.09 -0.98 -3.73 121.20 120.18 2kfp s ILE 92 Ca -0.09 -0.88 -0.19 0.00 -2.23 0.00 0.00 60.65 57.26 2kfp s ILE 92 Cb -0.15 -1.99 -0.08 0.00 -1.58 0.00 0.00 42.46 38.66 2kfp s ILE 92 CO 0.06 0.56 0.65 0.42 -1.23 0.00 0.00 174.94 175.40 2kfp s THR 93 N -0.06 4.65 -0.05 2.92 -4.23 -0.71 -2.64 115.64 115.52 2kfp s THR 93 Ca -0.05 1.20 0.05 0.00 -1.18 0.00 0.00 61.69 61.72 2kfp s THR 93 Cb -0.14 -3.87 -0.01 0.00 1.34 0.00 0.00 72.50 69.82 2kfp s THR 93 CO 0.04 0.33 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.54 2kfp s VAL 94 N -1.38 1.82 -0.51 2.29 1.01 0.37 -1.77 120.40 122.24 2kfp s VAL 94 Ca 0.38 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 2kfp s VAL 94 Cb -0.18 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.69 2kfp s VAL 94 CO 0.21 0.51 0.97 -0.22 0.00 0.00 0.00 175.10 176.57 2kfp s LEU 95 N -0.05 3.96 0.20 3.92 2.96 -0.88 -2.24 118.68 126.55 2kfp s LEU 95 Ca -0.05 -0.03 -0.08 0.00 -0.22 0.00 0.00 54.13 53.76 2kfp s LEU 95 Cb -0.13 -3.08 0.14 0.00 0.50 0.00 0.00 46.19 43.61 2kfp s LEU 95 CO 0.03 -1.17 1.71 -0.07 -1.32 0.00 0.00 176.35 175.53 2kfp h LEU 96 N 10.90 1.04 0.00 -0.68 3.38 -1.55 -1.11 115.31 127.30 2kfp h LEU 96 Ca -0.25 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.48 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 1.07 1.03 0.00 0.59 0.09 0.00 0.00 178.44 181.22 2kfp n ASN 97 N -4.21 0.00 -3.80 -0.43 3.02 -1.25 -4.50 115.26 104.09 2kfp n ASN 97 Ca 0.04 -0.85 -0.30 0.00 -0.03 0.00 0.00 54.58 53.44 2kfp n ASN 97 Cb 0.29 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.71 2kfp n ASN 97 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2kfp s GLY 98 N -1.91 1.53 0.00 7.41 0.00 -0.42 -4.90 107.32 109.03 2kfp s GLY 98 Ca 0.32 -0.84 0.21 0.00 0.00 0.00 0.00 44.72 44.42 2kfp s GLY 98 CO 0.25 0.06 1.68 -1.55 0.00 0.00 0.00 173.10 173.54 2kfp n PRO 99 N -4.99 0.00 -2.10 2.90 -0.04 -1.26 -4.84 135.00 124.68 2kfp n PRO 99 Ca 0.12 0.13 -0.39 0.00 -0.04 0.00 0.00 63.50 63.32 2kfp n PRO 99 Cb 0.59 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 2kfp n PRO 99 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2kfp s LEU 100 N -3.01 4.18 0.75 1.53 0.05 -1.26 -5.01 118.68 115.90 2kfp s LEU 100 Ca 0.10 2.58 -0.08 0.00 0.05 0.00 0.00 54.13 56.78 2kfp s LEU 100 Cb 0.14 -3.96 0.07 0.00 -2.05 0.00 0.00 46.19 40.39 2kfp s LEU 100 CO 0.39 -0.86 1.07 -0.83 -0.55 0.00 0.00 176.35 175.58 2kfp s GLY 101 N -0.86 1.67 0.32 -3.48 0.00 -1.26 -4.78 107.32 98.92 2kfp s GLY 101 Ca 0.58 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 44.46 2kfp s GLY 101 CO 0.46 -0.43 1.84 0.00 0.00 0.00 0.00 173.10 174.97 2kfp h ALA 102 N -0.77 1.30 -0.80 3.20 0.00 -1.98 -2.29 119.26 117.93 2kfp h ALA 102 Ca -0.45 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 2kfp h ALA 102 Cb 1.32 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2kfp h ALA 102 CO 0.61 0.47 0.39 0.87 0.00 0.00 0.00 179.25 181.58 2kfp h LYS 103 N 0.51 1.14 -0.52 0.00 1.79 -2.00 -1.69 116.57 115.79 2kfp h LYS 103 Ca 0.10 -0.16 -0.07 0.00 -2.18 0.00 0.00 60.65 58.34 2kfp h LYS 103 Cb 0.40 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 2kfp h LYS 103 CO 0.02 0.87 0.03 1.49 -1.08 0.00 0.00 179.45 180.78 2kfp h GLU 104 N 1.13 0.86 -0.50 3.15 4.81 -1.79 -2.08 114.58 120.17 2kfp h GLU 104 Ca 0.27 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2kfp h GLU 104 Cb 0.11 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2kfp h GLU 104 CO -0.04 0.84 0.19 0.82 -0.73 0.00 0.00 179.01 180.09 2kfp h ILE 105 N 0.81 1.22 -0.43 2.32 2.04 -1.05 -1.64 117.51 120.78 2kfp h ILE 105 Ca 0.16 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 2kfp h ILE 105 Cb 0.44 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2kfp h ILE 105 CO 0.02 0.26 0.25 0.45 0.00 0.00 0.00 178.15 179.12 2kfp h HIS 106 N 0.66 0.57 -0.55 1.37 3.86 -1.00 -0.24 115.15 119.82 2kfp h HIS 106 Ca 0.16 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2kfp h HIS 106 Cb 0.21 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 2kfp h HIS 106 CO 0.01 0.41 0.31 0.77 0.86 0.00 0.00 177.93 180.29 2kfp h SER 107 N 0.56 0.68 -0.40 2.45 0.02 -1.17 0.38 113.55 116.08 2kfp h SER 107 Ca 0.15 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 2kfp h SER 107 Cb 0.02 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2kfp h SER 107 CO -0.03 0.57 0.11 -0.07 -1.14 0.00 0.00 176.83 176.27 2kfp h LEU 108 N 0.74 0.60 -0.45 5.07 3.38 -0.99 -2.01 115.31 121.66 2kfp h LEU 108 Ca 0.20 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2kfp h LEU 108 Cb 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2kfp h LEU 108 CO -0.03 0.66 0.00 0.40 0.09 0.00 0.00 178.44 179.56 2kfp h ILE 109 N 0.51 1.26 -0.96 1.22 2.04 -0.75 -2.52 117.51 118.30 2kfp h ILE 109 Ca 0.13 -1.04 0.11 0.00 1.00 0.00 0.00 64.86 65.06 2kfp h ILE 109 Cb 0.29 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.33 2kfp h ILE 109 CO -0.00 0.36 0.59 -0.08 0.00 0.00 0.00 178.15 179.02 2kfp h GLU 110 N 0.64 0.94 -0.61 2.37 4.57 -0.02 0.69 114.58 123.16 2kfp h GLU 110 Ca 0.13 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 2kfp h GLU 110 Cb 0.49 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 2kfp h GLU 110 CO 0.02 0.62 0.22 -0.44 -1.18 0.00 0.00 179.01 178.25 2kfp h ASP 111 N 0.96 0.86 -0.75 1.04 3.32 -1.06 -1.58 116.42 119.22 2kfp h ASP 111 Ca 0.47 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 2kfp h ASP 111 Cb 0.42 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2kfp h ASP 111 CO -0.25 0.82 0.43 0.28 -1.72 0.00 0.00 179.24 178.80 2kfp h SER 112 N 0.86 0.92 -0.41 6.45 0.02 -0.55 -2.46 113.55 118.37 2kfp h SER 112 Ca 0.20 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2kfp h SER 112 Cb 0.25 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2kfp h SER 112 CO -0.01 0.73 0.21 0.15 -1.14 0.00 0.00 176.83 176.77 2kfp h PHE 113 N 1.03 0.58 -0.01 3.45 3.57 -0.51 -2.06 116.94 122.99 2kfp h PHE 113 Ca 0.27 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2kfp h PHE 113 Cb -0.00 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 2kfp h PHE 113 CO -0.00 0.47 0.01 1.96 -2.23 0.00 0.00 178.31 178.51 2kfp h GLN 114 N 0.53 0.00 0.00 1.11 1.08 -0.95 0.55 115.11 117.42 2kfp h GLN 114 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2kfp h GLN 114 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2kfp h GLN 114 CO -0.02 0.00 0.00 -0.07 -0.95 0.00 0.00 178.83 177.79 2kfp h LEU 115 N 0.00 0.00 -2.97 1.46 3.38 -0.94 -3.18 115.31 113.07 2kfp h LEU 115 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kfp h LEU 115 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2kfp h LEU 115 CO -0.00 0.00 -0.00 0.35 0.09 0.00 0.00 178.44 178.88 2kfp n THR 116 N -2.41 1.37 -1.71 0.22 -2.24 0.31 -5.05 114.28 104.76 2kfp n THR 116 Ca 0.05 -1.53 -0.42 0.00 -2.27 0.00 0.00 64.05 59.87 2kfp n THR 116 Cb 0.44 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.90 2.28 -3.33 -0.78 1.85 0.16 -4.86 116.66 111.08 2kfp n ARG 117 Ca 0.07 0.80 -0.38 0.00 -1.00 0.00 0.00 57.85 57.34 2kfp n ARG 117 Cb 0.43 -2.44 -0.06 0.00 -1.05 0.00 0.00 32.46 29.33 2kfp n ARG 117 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2kfp s LEU 118 N -1.03 4.43 -0.83 2.89 2.96 -1.26 -5.02 118.68 120.81 2kfp s LEU 118 Ca 0.57 1.06 0.01 0.00 -0.22 0.00 0.00 54.13 55.55 2kfp s LEU 118 Cb -0.55 -2.77 0.23 0.00 0.50 0.00 0.00 46.19 43.60 2kfp s LEU 118 CO 0.60 0.19 0.82 -0.62 -1.32 0.00 0.00 176.35 176.02 2kfp n GLU 119 N 2.39 2.72 -0.10 1.98 1.02 -1.26 -4.87 120.64 122.52 2kfp n GLU 119 Ca -0.10 -4.54 -0.08 0.00 -0.02 0.00 0.00 57.16 52.42 2kfp n GLU 119 Cb 0.51 -2.37 0.08 0.00 -0.02 0.00 0.00 31.44 29.64 2kfp n GLU 119 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 2kfp h HIS 120 N 5.40 0.93 -3.96 -0.32 2.07 -2.03 -3.44 115.15 113.80 2kfp h HIS 120 Ca 0.17 -0.21 -0.30 0.00 -2.85 0.00 0.00 60.37 57.18 2kfp h HIS 120 Cb 0.74 -0.22 -0.22 0.00 2.57 0.00 0.00 27.41 30.28 2kfp h HIS 120 CO 0.75 0.95 -0.74 -1.01 -3.07 0.00 0.00 177.93 174.81 2kfp s HIS 121 N -4.65 0.76 0.19 6.12 3.76 -1.26 -5.04 115.29 115.17 2kfp s HIS 121 Ca -0.10 -0.47 -0.08 0.00 -0.15 0.00 0.00 55.06 54.26 2kfp s HIS 121 Cb 0.13 -0.45 0.10 0.00 1.11 0.00 0.00 32.58 33.47 2kfp s HIS 121 CO 0.84 -0.06 1.62 0.45 -0.85 0.00 0.00 174.74 176.75 2kfp h HIS 122 N 4.53 1.08 -3.51 1.40 -0.00 -2.02 -3.45 115.15 113.18 2kfp h HIS 122 Ca -0.36 -0.22 -0.10 0.00 -0.00 0.00 0.00 60.37 59.69 2kfp h HIS 122 Cb 1.20 -0.27 -0.17 0.00 -0.00 0.00 0.00 27.41 28.17 2kfp h HIS 122 CO 0.63 1.01 -0.35 -3.38 -0.00 0.00 0.00 177.93 175.85 2kfp s HIS 123 N -4.84 0.02 0.19 2.45 -3.43 -1.26 -5.17 115.29 103.25 2kfp s HIS 123 Ca -0.11 -0.24 -0.14 0.00 -0.80 0.00 0.00 55.06 53.77 2kfp s HIS 123 Cb 0.13 0.00 0.01 0.00 -1.43 0.00 0.00 32.58 31.30 2kfp s HIS 123 CO 0.85 -0.46 0.43 -3.38 -2.00 0.00 0.00 174.74 170.18 2kfp s HIS 124 N -2.71 0.13 0.00 0.38 -3.43 -1.26 -5.18 115.29 103.23 2kfp s HIS 124 Ca -0.04 -0.49 0.00 0.00 -0.80 0.00 0.00 55.06 53.73 2kfp s HIS 124 Cb -0.00 0.21 0.00 0.00 -1.43 0.00 0.00 32.58 31.35 2kfp s HIS 124 CO -0.05 -0.86 0.00 0.72 -2.00 0.00 0.00 174.74 172.55