#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 6.28 0.14 6.12 0.01 -1.26 -4.44 114.94 121.78 2kfp s ASN 2 Ca 0.00 0.11 -0.17 0.00 -0.71 0.00 0.00 52.86 52.09 2kfp s ASN 2 Cb 0.00 -1.86 -0.02 0.00 0.41 0.00 0.00 41.25 39.78 2kfp s ASN 2 CO 0.00 0.01 1.78 0.03 -1.51 0.00 0.00 177.10 177.40 2kfp h ARG 3 N 1.80 0.45 -0.98 -0.60 3.08 -1.99 -2.33 114.38 113.81 2kfp h ARG 3 Ca -0.50 -0.04 0.25 0.00 0.07 0.00 0.00 59.98 59.77 2kfp h ARG 3 Cb 1.21 -0.10 -0.13 0.00 0.08 0.00 0.00 29.97 31.03 2kfp h ARG 3 CO 0.66 0.33 0.55 0.37 -1.07 0.00 0.00 179.97 180.80 2kfp h GLN 4 N 0.44 0.49 -0.49 0.04 5.75 -1.99 0.49 115.11 119.83 2kfp h GLN 4 Ca 0.12 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.50 2kfp h GLN 4 Cb -0.01 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 2kfp h GLN 4 CO -0.02 0.32 -0.05 1.96 -2.65 0.00 0.00 178.83 178.39 2kfp h GLN 5 N 0.50 0.89 -0.35 1.69 4.20 -1.83 -1.52 115.11 118.69 2kfp h GLN 5 Ca 0.65 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 59.02 2kfp h GLN 5 Cb 1.27 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 2kfp h GLN 5 CO -0.51 0.96 0.12 0.35 -0.67 0.00 0.00 178.83 179.08 2kfp h PHE 6 N 0.75 0.56 -0.30 2.96 3.57 0.13 0.22 116.94 124.82 2kfp h PHE 6 Ca 0.13 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2kfp h PHE 6 Cb 0.59 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2kfp h PHE 6 CO 0.04 0.53 0.10 0.82 -2.23 0.00 0.00 178.31 177.58 2kfp h ILE 7 N 0.42 1.20 -0.49 1.41 1.08 -0.80 -0.67 117.51 119.66 2kfp h ILE 7 Ca 0.12 -0.63 -0.12 0.00 -0.39 0.00 0.00 64.86 63.84 2kfp h ILE 7 Cb 0.23 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 2kfp h ILE 7 CO -0.01 0.21 -0.15 0.44 -0.69 0.00 0.00 178.15 177.96 2kfp h ASP 8 N 0.34 0.95 -0.35 1.72 3.32 -1.18 -2.39 116.42 118.84 2kfp h ASP 8 Ca 0.10 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 2kfp h ASP 8 Cb 0.23 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2kfp h ASP 8 CO -0.00 1.09 0.18 0.22 -1.72 0.00 0.00 179.24 179.01 2kfp h TYR 9 N 0.83 0.48 -0.25 4.55 3.20 -0.32 -0.58 116.97 124.88 2kfp h TYR 9 Ca 0.12 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 2kfp h TYR 9 Cb 0.70 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2kfp h TYR 9 CO 0.04 0.39 0.14 0.00 -1.64 0.00 0.00 178.16 177.10 2kfp h ALA 10 N 1.05 0.32 0.00 1.82 0.00 -1.01 0.20 119.26 121.64 2kfp h ALA 10 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2kfp h ALA 10 Cb 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kfp h ALA 10 CO -0.02 -0.16 -0.05 1.96 0.00 0.00 0.00 179.25 180.98 2kfp h GLN 11 N 0.30 0.00 0.00 0.00 4.20 -1.25 1.09 115.11 119.45 2kfp h GLN 11 Ca 0.09 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 2kfp h GLN 11 Cb 0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2kfp h GLN 11 CO -0.02 0.05 -0.46 -0.22 -0.67 0.00 0.00 178.83 177.52 2kfp h LYS 12 N 0.00 0.00 0.09 1.46 3.64 -0.07 -3.07 116.57 118.62 2kfp h LYS 12 Ca -0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 2kfp h LYS 12 Cb 0.34 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2kfp h LYS 12 CO 0.01 0.68 -1.61 -0.22 -2.27 0.00 0.00 179.45 176.03 2kfp h LYS 13 N -1.00 0.18 -0.01 1.90 3.64 -0.58 -3.37 116.57 117.34 2kfp h LYS 13 Ca -0.11 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2kfp h LYS 13 Cb 0.84 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2kfp h LYS 13 CO -0.06 1.15 -0.41 0.66 -2.27 0.00 0.00 179.45 178.51 2kfp n TYR 14 N -3.89 0.00 -3.11 1.91 4.02 0.31 -4.92 117.16 111.48 2kfp n TYR 14 Ca -0.30 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.42 2kfp n TYR 14 Cb 0.90 -0.10 -0.03 0.00 -0.02 0.00 0.00 39.34 40.09 2kfp n TYR 14 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2kfp n ASP 15 N -0.70 -1.20 -4.78 7.72 5.68 0.24 -4.86 116.55 118.65 2kfp n ASP 15 Ca 0.10 -0.26 -0.33 0.00 -0.50 0.00 0.00 54.79 53.80 2kfp n ASP 15 Cb 0.37 -1.11 -0.07 0.00 -1.14 0.00 0.00 41.12 39.18 2kfp n ASP 15 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2kfp s THR 16 N -2.29 4.71 0.11 2.12 -1.32 -1.23 -4.94 115.64 112.81 2kfp s THR 16 Ca 0.33 -0.43 -0.01 0.00 -1.21 0.00 0.00 61.69 60.37 2kfp s THR 16 Cb -0.19 -3.16 -0.04 0.00 -1.51 0.00 0.00 72.50 67.59 2kfp s THR 16 CO 0.41 0.33 0.29 -0.54 -2.21 0.00 0.00 174.62 172.90 2kfp s LYS 17 N -1.78 3.49 0.54 7.08 1.02 -1.26 -4.31 119.74 124.52 2kfp s LYS 17 Ca 0.23 -0.36 -0.20 0.00 0.02 0.00 0.00 55.97 55.66 2kfp s LYS 17 Cb -0.12 -2.96 -0.06 0.00 -0.52 0.00 0.00 37.83 34.18 2kfp s LYS 17 CO 0.14 0.53 1.16 -1.25 -0.92 0.00 0.00 175.35 175.01 2kfp s PRO 18 N -2.75 3.34 0.05 -1.68 0.04 -1.26 -4.69 135.00 128.04 2kfp s PRO 18 Ca 0.37 1.69 0.02 0.00 0.04 0.00 0.00 61.00 63.12 2kfp s PRO 18 Cb -0.12 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2kfp s PRO 18 CO 0.27 -0.88 -0.07 -0.51 0.04 0.00 0.00 177.00 175.85 2kfp s ASP 19 N -1.65 0.83 -0.38 6.66 1.01 -0.36 -4.83 116.67 117.95 2kfp s ASP 19 Ca 0.72 -0.60 0.02 0.00 0.71 0.00 0.00 52.55 53.40 2kfp s ASP 19 Cb -0.26 0.05 0.15 0.00 1.01 0.00 0.00 42.92 43.87 2kfp s ASP 19 CO 0.30 -0.24 0.26 -1.38 0.21 0.00 0.00 175.17 174.32 2kfp s HIS 20 N -1.65 0.90 0.33 4.23 -3.43 -1.26 0.14 115.29 114.54 2kfp s HIS 20 Ca -0.08 -1.92 0.05 0.00 -0.80 0.00 0.00 55.06 52.31 2kfp s HIS 20 Cb -0.08 -0.94 0.69 0.00 -1.43 0.00 0.00 32.58 30.82 2kfp s HIS 20 CO -0.00 -0.83 1.88 -1.35 -2.00 0.00 0.00 174.74 172.44 2kfp h PRO 21 N 6.46 0.82 -5.17 -0.38 0.11 -1.92 -3.37 132.00 128.54 2kfp h PRO 21 Ca 0.14 -0.05 -0.64 0.00 0.11 0.00 0.00 66.00 65.56 2kfp h PRO 21 Cb 0.94 -0.18 -0.15 0.00 0.11 0.00 0.00 31.00 31.72 2kfp h PRO 21 CO 0.31 0.54 -0.14 -1.58 -0.21 0.00 0.00 178.00 176.93 2kfp s TRP 22 N -5.79 3.21 0.31 0.65 0.51 -1.26 -4.93 118.94 111.63 2kfp s TRP 22 Ca -0.11 0.22 0.09 0.00 -2.12 0.00 0.00 56.10 54.18 2kfp s TRP 22 Cb 0.21 -2.78 0.49 0.00 -0.81 0.00 0.00 33.47 30.58 2kfp s TRP 22 CO 0.79 -0.43 1.70 1.05 -0.51 0.00 0.00 176.95 179.56 2kfp h GLU 23 N 8.36 0.13 0.00 4.98 4.11 -2.03 -2.29 114.58 127.83 2kfp h GLU 23 Ca -0.29 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.08 2kfp h GLU 23 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2kfp h GLU 23 CO 0.73 0.56 0.00 1.63 0.07 0.00 0.00 179.01 182.00 2kfp n LYS 24 N -3.99 0.22 -3.27 1.06 5.02 -1.26 -3.33 118.16 112.62 2kfp n LYS 24 Ca -0.02 0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.05 2kfp n LYS 24 Cb 0.50 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.03 0.13 0.27 2.13 3.72 -0.86 -4.94 117.46 116.88 2kfp n PHE 25 Ca 0.05 -3.61 0.16 0.00 -0.05 0.00 0.00 57.45 54.00 2kfp n PHE 25 Cb 0.03 -0.29 0.64 0.00 -0.94 0.00 0.00 39.48 38.92 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 4.30 0.00 -0.00 -1.08 0.13 -1.73 -2.48 132.00 131.14 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 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2kfp h PRO 26 CO 0.50 0.03 -0.07 -0.25 -0.23 0.00 0.00 178.00 177.98 2kfp n ASP 27 N -3.14 0.20 -4.81 1.44 8.00 -1.26 -4.80 116.55 112.18 2kfp n ASP 27 Ca 0.01 -0.24 -0.39 0.00 0.71 0.00 0.00 54.79 54.88 2kfp n ASP 27 Cb 0.33 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 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 -2.60 3.81 -0.05 1.24 1.51 -0.94 -4.81 117.35 115.51 2kfp s TYR 28 Ca 0.26 1.31 0.03 0.00 -1.01 0.00 0.00 57.07 57.66 2kfp s TYR 28 Cb 0.20 -2.52 0.00 0.00 -0.11 0.00 0.00 41.96 39.53 2kfp s TYR 28 CO 0.49 0.58 -0.15 0.00 -1.11 0.00 0.00 175.55 175.35 2kfp s ALA 29 N -1.13 1.42 -0.09 3.71 0.00 -1.10 -4.53 121.76 120.04 2kfp s ALA 29 Ca 0.30 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.71 2kfp s ALA 29 Cb -0.20 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.40 2kfp s ALA 29 CO 0.20 0.21 -0.19 0.08 0.00 0.00 0.00 175.76 176.06 2kfp s VAL 30 N 0.29 1.66 -0.10 0.00 1.01 0.12 -1.39 120.40 122.00 2kfp s VAL 30 Ca -0.09 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2kfp s VAL 30 Cb -0.13 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 2kfp s VAL 30 CO 0.03 0.47 -0.13 -0.36 0.00 0.00 0.00 175.10 175.12 2kfp s PHE 31 N 0.48 2.79 -0.05 5.22 0.08 -0.39 -1.23 117.98 124.87 2kfp s PHE 31 Ca -0.17 -0.41 -0.28 0.00 0.12 0.00 0.00 56.93 56.19 2kfp s PHE 31 Cb -0.17 -1.77 0.06 0.00 -0.57 0.00 0.00 43.02 40.58 2kfp s PHE 31 CO 0.07 -0.03 0.63 -0.98 -0.10 0.00 0.00 175.22 174.81 2kfp s ARG 32 N -0.11 0.99 -0.30 0.44 1.70 -1.26 -3.92 118.95 116.49 2kfp s ARG 32 Ca -0.01 0.23 -0.12 0.00 -0.47 0.00 0.00 55.73 55.35 2kfp s ARG 32 Cb -0.14 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.67 2kfp s ARG 32 CO 0.03 -0.30 0.23 -1.01 -1.08 0.00 0.00 175.30 173.18 2kfp s HIS 33 N -1.13 3.22 -0.62 5.89 3.76 -1.26 -4.93 115.29 120.22 2kfp s HIS 33 Ca -0.11 0.01 0.25 0.00 -0.15 0.00 0.00 55.06 55.07 2kfp s HIS 33 Cb -0.01 -2.44 0.86 0.00 1.11 0.00 0.00 32.58 32.10 2kfp s HIS 33 CO 0.09 -0.25 1.76 0.77 -0.85 0.00 0.00 174.74 176.25 2kfp h SER 34 N 8.41 0.00 0.19 1.40 0.02 -2.00 -1.52 113.55 120.05 2kfp h SER 34 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2kfp h SER 34 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2kfp h SER 34 CO 0.59 0.00 -0.34 0.47 -1.14 0.00 0.00 176.83 176.42 2kfp n ASP 35 N -2.31 1.22 -0.02 3.07 8.00 -1.26 -4.21 116.55 121.03 2kfp n ASP 35 Ca 0.04 -1.00 -0.03 0.00 0.71 0.00 0.00 54.79 54.52 2kfp n ASP 35 Cb 0.37 0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 41.67 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 -0.58 3.78 -1.78 -2.24 2.85 -1.07 -4.43 115.26 111.78 2kfp n ASN 36 Ca 0.11 -0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 2kfp n ASN 36 Cb 0.37 0.55 0.00 0.00 1.24 0.00 0.00 39.78 41.95 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 -2.22 -8.51 -1.22 1.20 -0.08 -0.59 -4.92 116.55 100.19 2kfp n ASP 37 Ca -0.08 1.29 0.00 0.00 -1.51 0.00 0.00 54.79 54.49 2kfp n ASP 37 Cb 0.65 -4.92 0.00 0.00 2.34 0.00 0.00 41.12 39.19 2kfp n ASP 37 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2kfp n LYS 38 N -0.16 0.00 -3.82 -0.67 0.00 -1.26 -5.05 118.16 107.20 2kfp n LYS 38 Ca 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 58.31 58.74 2kfp n LYS 38 Cb 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 35.03 34.25 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 0.00 -0.00 -0.28 5.64 -0.00 -1.26 -4.98 118.94 118.05 2kfp s TRP 39 Ca 0.00 -0.26 -0.09 0.00 -0.00 0.00 0.00 56.10 55.75 2kfp s TRP 39 Cb 0.00 0.63 0.13 0.00 -0.00 0.00 0.00 33.47 34.23 2kfp s TRP 39 CO 0.00 -0.65 0.60 0.71 -0.00 0.00 0.00 176.95 177.61 2kfp s TYR 40 N -2.44 -1.26 -0.29 1.66 2.02 -1.26 -5.08 117.35 110.71 2kfp s TYR 40 Ca 0.20 2.12 0.01 0.00 -0.37 0.00 0.00 57.07 59.03 2kfp s TYR 40 Cb -0.00 0.69 0.18 0.00 -0.40 0.00 0.00 41.96 42.43 2kfp s TYR 40 CO 0.02 -0.65 0.53 0.00 -1.57 0.00 0.00 175.55 173.88 2kfp s ALA 41 N 2.84 -1.96 -0.01 3.71 0.00 -1.25 -4.64 121.76 120.44 2kfp s ALA 41 Ca -0.03 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.16 2kfp s ALA 41 Cb -0.12 -2.19 -0.00 0.00 0.00 0.00 0.00 23.12 20.80 2kfp s ALA 41 CO -0.18 -1.54 -0.08 -0.48 0.00 0.00 0.00 175.76 173.49 2kfp s LEU 42 N 2.75 1.93 -0.16 0.00 2.34 -1.26 -1.27 118.68 123.01 2kfp s LEU 42 Ca 0.15 -0.14 0.00 0.00 0.06 0.00 0.00 54.13 54.19 2kfp s LEU 42 Cb -0.13 -0.42 -0.00 0.00 -0.56 0.00 0.00 46.19 45.08 2kfp s LEU 42 CO -0.23 0.08 -0.15 -0.22 -1.06 0.00 0.00 176.35 174.77 2kfp s LEU 43 N -0.04 2.47 0.06 1.48 0.20 -0.48 -2.44 118.68 119.93 2kfp s LEU 43 Ca 0.01 -0.48 -0.16 0.00 0.69 0.00 0.00 54.13 54.19 2kfp s LEU 43 Cb -0.05 -1.57 0.03 0.00 -0.43 0.00 0.00 46.19 44.18 2kfp s LEU 43 CO -0.00 0.07 0.38 0.00 -0.29 0.00 0.00 176.35 176.51 2kfp s MET 44 N 0.88 0.93 -0.36 1.98 0.23 -1.11 -2.71 119.30 119.14 2kfp s MET 44 Ca -0.04 -0.48 -0.18 0.00 -1.03 0.00 0.00 55.69 53.96 2kfp s MET 44 Cb -0.15 0.41 -0.00 0.00 -1.53 0.00 0.00 34.83 33.55 2kfp s MET 44 CO -0.01 -0.32 0.49 -0.51 -2.03 0.00 0.00 175.02 172.63 2kfp s ASP 45 N -2.21 6.29 0.05 -1.18 1.01 -1.26 -2.59 116.67 116.77 2kfp s ASP 45 Ca -0.03 -0.12 0.08 0.00 0.71 0.00 0.00 52.55 53.20 2kfp s ASP 45 Cb -0.00 -2.26 -0.03 0.00 1.01 0.00 0.00 42.92 41.64 2kfp s ASP 45 CO -0.05 -0.47 -0.22 0.27 0.21 0.00 0.00 175.17 174.91 2kfp s ILE 46 N 2.33 2.49 0.36 0.77 -4.36 -0.78 -4.88 121.20 117.11 2kfp s ILE 46 Ca 0.17 -1.32 -0.25 0.00 -0.26 0.00 0.00 60.65 58.99 2kfp s ILE 46 Cb -0.16 -2.02 -0.13 0.00 1.25 0.00 0.00 42.46 41.40 2kfp s ILE 46 CO 0.13 0.33 0.69 -2.65 0.24 0.00 0.00 174.94 173.68 2kfp n PRO 47 N 1.58 0.75 0.30 0.37 -0.02 -1.26 -2.63 135.00 134.08 2kfp n PRO 47 Ca -0.17 0.27 0.18 0.00 -2.02 0.00 0.00 63.50 61.76 2kfp n PRO 47 Cb 0.52 -1.56 0.92 0.00 -0.02 0.00 0.00 33.50 33.36 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 1.18 1.12 0.00 3.55 0.00 -1.40 -0.85 119.26 122.86 2kfp h ALA 48 Ca -0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kfp h ALA 48 Cb 1.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2kfp h ALA 48 CO 0.55 0.05 0.00 -0.85 0.00 0.00 0.00 179.25 178.99 2kfp n GLU 49 N -3.30 0.22 0.01 0.00 0.28 -1.19 -2.16 120.64 114.50 2kfp n GLU 49 Ca -0.02 0.25 0.13 0.00 -0.16 0.00 0.00 57.16 57.36 2kfp n GLU 49 Cb 0.18 -1.79 0.43 0.00 1.43 0.00 0.00 31.44 31.69 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 -2.18 0.04 -0.04 3.44 4.76 -0.32 -3.28 118.16 120.58 2kfp n LYS 50 Ca 0.05 0.02 0.09 0.00 -2.87 0.00 0.00 58.31 55.60 2kfp n LYS 50 Cb 0.37 -1.53 0.10 0.00 -1.84 0.00 0.00 35.03 32.12 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 -1.60 0.14 -0.01 -0.18 -5.35 -1.14 -4.95 119.36 106.29 2kfp n ILE 51 Ca 0.06 -0.57 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 2kfp n ILE 51 Cb 0.35 1.25 0.00 0.00 -1.74 0.00 0.00 39.64 39.50 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 1.03 0.18 3.75 3.28 0.00 -1.21 -4.90 105.19 107.32 2kfp n GLY 52 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 4.10 0.27 -0.61 1.01 -0.92 -4.95 121.20 118.06 2kfp s ILE 53 Ca 0.00 2.06 -0.03 0.00 0.00 0.00 0.00 60.65 62.68 2kfp s ILE 53 Cb 0.00 -4.31 0.19 0.00 0.01 0.00 0.00 42.46 38.35 2kfp s ILE 53 CO 0.00 0.47 1.86 0.78 0.00 0.00 0.00 174.94 178.05 2kfp h ASN 54 N 4.35 0.92 -2.74 3.58 2.35 -1.95 -3.26 115.58 118.83 2kfp h ASN 54 Ca -0.45 -0.11 -0.59 0.00 -0.55 0.00 0.00 56.30 54.60 2kfp h ASN 54 Cb 1.20 -0.24 0.14 0.00 0.05 0.00 0.00 38.32 39.48 2kfp h ASN 54 CO 0.69 0.80 -0.13 0.61 -1.65 0.00 0.00 177.43 177.74 2kfp n GLY 55 N -1.05 -0.89 1.22 2.83 0.00 -1.26 -4.79 105.19 101.26 2kfp n GLY 55 Ca 0.07 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.26 2kfp n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kfp n ASP 56 N 0.77 3.74 -4.79 1.61 2.03 -1.26 -3.17 116.55 115.48 2kfp n ASP 56 Ca 0.11 -1.99 -0.36 0.00 0.52 0.00 0.00 54.79 53.07 2kfp n ASP 56 Cb 0.40 -0.42 -0.05 0.00 -0.72 0.00 0.00 41.12 40.34 2kfp n ASP 56 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2kfp s LYS 57 N -1.07 4.23 0.34 -0.67 -2.85 -1.26 -4.54 119.74 113.91 2kfp s LYS 57 Ca 0.44 1.44 -0.26 0.00 -1.00 0.00 0.00 55.97 56.58 2kfp s LYS 57 Cb 0.23 -2.53 -0.09 0.00 -2.06 0.00 0.00 37.83 33.38 2kfp s LYS 57 CO 0.31 -0.07 1.00 1.03 0.10 0.00 0.00 175.35 177.72 2kfp s ARG 58 N -2.52 4.47 0.14 1.78 0.52 -1.26 -1.38 118.95 120.70 2kfp s ARG 58 Ca 0.57 1.47 0.02 0.00 -0.52 0.00 0.00 55.73 57.27 2kfp s ARG 58 Cb -0.20 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 2kfp s ARG 58 CO 0.25 0.15 -0.04 0.14 0.02 0.00 0.00 175.30 175.82 2kfp s VAL 59 N -1.54 0.74 -0.21 3.52 -7.23 -1.08 -4.86 120.40 109.74 2kfp s VAL 59 Ca 0.51 -1.97 -0.10 0.00 -1.81 0.00 0.00 61.98 58.62 2kfp s VAL 59 Cb -0.22 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.78 2kfp s VAL 59 CO 0.28 -0.69 0.13 -0.62 -0.31 0.00 0.00 175.10 173.89 2kfp s ASP 60 N -3.11 6.06 0.13 4.85 2.15 -1.26 -1.87 116.67 123.62 2kfp s ASP 60 Ca 0.18 0.16 0.05 0.00 0.43 0.00 0.00 52.55 53.36 2kfp s ASP 60 Cb 0.05 -2.07 -0.04 0.00 -0.30 0.00 0.00 42.92 40.56 2kfp s ASP 60 CO -0.00 0.14 -0.11 0.68 -0.17 0.00 0.00 175.17 175.70 2kfp s VAL 61 N 0.61 1.19 0.06 1.11 -7.23 -1.07 -1.86 120.40 113.22 2kfp s VAL 61 Ca 0.07 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 2kfp s VAL 61 Cb -0.12 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 2kfp s VAL 61 CO 0.01 -0.62 -0.12 0.27 -0.31 0.00 0.00 175.10 174.33 2kfp s ILE 62 N -2.83 0.91 0.11 -0.62 -4.36 -1.09 -2.74 121.20 110.57 2kfp s ILE 62 Ca 0.13 -1.24 -0.30 0.00 -0.26 0.00 0.00 60.65 58.98 2kfp s ILE 62 Cb -0.01 -0.92 -0.06 0.00 1.25 0.00 0.00 42.46 42.73 2kfp s ILE 62 CO 0.01 -0.29 0.96 -0.62 0.24 0.00 0.00 174.94 175.24 2kfp s ASP 63 N -1.70 7.49 -0.11 4.36 -1.08 -1.02 -2.45 116.67 122.16 2kfp s ASP 63 Ca -0.05 1.79 0.01 0.00 -0.52 0.00 0.00 52.55 53.78 2kfp s ASP 63 Cb -0.10 -2.59 0.02 0.00 -1.46 0.00 0.00 42.92 38.79 2kfp s ASP 63 CO 0.02 -0.06 -0.14 -0.22 0.52 0.00 0.00 175.17 175.28 2kfp s LEU 64 N -0.01 1.65 -0.11 -1.34 1.98 -0.64 -4.62 118.68 115.58 2kfp s LEU 64 Ca 0.47 -0.42 -0.20 0.00 -2.89 0.00 0.00 54.13 51.09 2kfp s LEU 64 Cb -0.23 -1.06 -0.04 0.00 0.66 0.00 0.00 46.19 45.52 2kfp s LEU 64 CO 0.30 -0.01 0.56 -0.75 -1.89 0.00 0.00 176.35 174.56 2kfp s LYS 65 N 1.15 4.36 0.14 1.98 2.20 -1.26 -1.27 119.74 127.04 2kfp s LYS 65 Ca -0.03 0.60 -0.00 0.00 -0.36 0.00 0.00 55.97 56.18 2kfp s LYS 65 Cb -0.14 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 2kfp s LYS 65 CO -0.04 0.10 0.03 0.14 -0.36 0.00 0.00 175.35 175.22 2kfp s VAL 66 N 0.78 0.26 0.61 4.02 -7.23 -1.06 -4.41 120.40 113.39 2kfp s VAL 66 Ca 0.30 -1.92 -0.15 0.00 -1.81 0.00 0.00 61.98 58.40 2kfp s VAL 66 Cb -0.16 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 2kfp s VAL 66 CO 0.13 -0.51 1.07 -1.10 -0.31 0.00 0.00 175.10 174.38 2kfp s GLN 67 N -4.00 3.18 0.56 4.82 -0.21 -1.26 -4.55 119.66 118.20 2kfp s GLN 67 Ca 0.23 1.23 0.30 0.00 0.02 0.00 0.00 55.36 57.13 2kfp s GLN 67 Cb 0.07 -2.01 1.67 0.00 1.00 0.00 0.00 33.01 33.74 2kfp s GLN 67 CO 0.01 -0.93 2.17 -1.00 -2.12 0.00 0.00 175.29 173.43 2kfp h PRO 68 N 0.28 0.00 0.00 2.91 0.13 -1.97 -2.34 132.00 131.00 2kfp h PRO 68 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 2kfp h PRO 68 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2kfp h PRO 68 CO 0.57 0.06 -1.35 -0.85 -0.23 0.00 0.00 178.00 176.19 2kfp n GLU 69 N -3.69 0.62 -0.03 0.86 0.28 -1.26 -3.88 120.64 113.55 2kfp n GLU 69 Ca -0.02 0.15 0.13 0.00 -0.16 0.00 0.00 57.16 57.26 2kfp n GLU 69 Cb 0.16 -1.78 0.39 0.00 1.43 0.00 0.00 31.44 31.63 2kfp n GLU 69 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2kfp n LEU 70 N -2.77 1.98 -0.23 -1.84 4.77 -0.94 -4.08 117.00 113.89 2kfp n LEU 70 Ca -0.07 -0.71 -0.07 0.00 -0.03 0.00 0.00 56.01 55.13 2kfp n LEU 70 Cb 0.74 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.82 2kfp n LEU 70 CO 0.42 0.35 0.96 1.62 -1.33 0.00 0.00 177.39 179.42 2kfp h VAL 71 N 2.96 1.25 -0.84 4.08 3.04 -1.55 -1.83 116.25 123.36 2kfp h VAL 71 Ca 0.00 -0.84 -0.02 0.00 -1.01 0.00 0.00 66.70 64.82 2kfp h VAL 71 Cb 0.63 0.59 -0.04 0.00 -2.01 0.00 0.00 31.29 30.46 2kfp h VAL 71 CO 0.00 0.32 0.44 1.23 -1.01 0.00 0.00 177.57 178.55 2kfp h GLY 72 N 0.92 1.27 0.74 3.17 0.00 -1.82 0.67 103.07 108.02 2kfp h GLY 72 Ca 0.21 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 2kfp h GLY 72 CO -0.01 0.58 -0.17 0.23 0.00 0.00 0.00 176.54 177.17 2kfp h SER 73 N 1.18 -0.41 -0.30 0.19 0.87 -1.71 0.44 113.55 113.82 2kfp h SER 73 Ca 0.29 -0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.65 2kfp h SER 73 Cb 0.07 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2kfp h SER 73 CO -0.04 -0.09 -0.14 0.25 -0.53 0.00 0.00 176.83 176.28 2kfp h LEU 74 N -0.75 0.63 -1.25 2.23 6.46 -1.26 -2.87 115.31 118.50 2kfp h LEU 74 Ca -0.05 -0.40 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 2kfp h LEU 74 Cb 0.51 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2kfp h LEU 74 CO 0.08 0.90 0.00 -0.09 -0.62 0.00 0.00 178.44 178.71 2kfp h ARG 75 N 0.37 0.00 -0.08 1.25 2.43 0.31 -2.64 114.38 116.03 2kfp h ARG 75 Ca 0.07 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.09 2kfp h ARG 75 Cb 0.65 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2kfp h ARG 75 CO 0.04 0.00 -0.58 -0.22 -1.51 0.00 0.00 179.97 177.70 2kfp h LYS 76 N 0.00 0.25 -6.88 0.20 3.11 -0.67 -3.44 116.57 109.14 2kfp h LYS 76 Ca 0.00 -0.17 -0.52 0.00 -2.81 0.00 0.00 60.65 57.15 2kfp h LYS 76 Cb 0.45 0.02 0.07 0.00 -1.00 0.00 0.00 32.23 31.77 2kfp h LYS 76 CO 0.00 0.76 0.64 0.15 -2.81 0.00 0.00 179.45 178.20 2kfp s LYS 77 N -3.80 4.34 0.69 1.90 1.02 -1.00 -4.99 119.74 117.91 2kfp s LYS 77 Ca -0.04 2.23 -0.13 0.00 0.02 0.00 0.00 55.97 58.06 2kfp s LYS 77 Cb 0.12 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.38 2kfp s LYS 77 CO 0.80 -0.20 1.08 -1.25 -0.92 0.00 0.00 175.35 174.85 2kfp s PRO 78 N -1.80 2.77 0.00 -1.68 0.04 -1.26 -3.60 135.00 129.47 2kfp s PRO 78 Ca 0.49 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2kfp s PRO 78 Cb -0.40 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2kfp s PRO 78 CO 0.53 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.74 2kfp n GLY 79 N -1.22 2.99 3.48 0.56 0.00 -1.26 -4.80 105.19 104.93 2kfp n GLY 79 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.11 4.78 0.10 -0.61 1.01 -1.24 -2.44 121.20 120.69 2kfp s ILE 80 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.44 2kfp s ILE 80 Cb 0.00 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 2kfp s ILE 80 CO 0.00 0.13 0.09 -0.31 0.00 0.00 0.00 174.94 174.85 2kfp s TYR 81 N 1.66 3.16 0.63 3.97 2.02 -0.43 -4.92 117.35 123.44 2kfp s TYR 81 Ca 0.06 0.05 -0.17 0.00 -0.37 0.00 0.00 57.07 56.64 2kfp s TYR 81 Cb -0.17 -1.59 -0.02 0.00 -0.40 0.00 0.00 41.96 39.79 2kfp s TYR 81 CO 0.07 0.52 1.13 -1.25 -1.57 0.00 0.00 175.55 174.45 2kfp s PRO 82 N -2.55 2.91 0.35 -1.71 0.04 -1.26 -1.12 135.00 131.65 2kfp s PRO 82 Ca 0.29 1.52 -0.28 0.00 0.04 0.00 0.00 61.00 62.57 2kfp s PRO 82 Cb -0.12 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 2kfp s PRO 82 CO 0.22 -1.19 1.41 0.00 0.04 0.00 0.00 177.00 177.48 2kfp s ALA 83 N -2.09 3.55 -2.37 8.56 0.00 -1.24 -4.41 121.76 123.75 2kfp s ALA 83 Ca 0.70 1.43 0.23 0.00 0.00 0.00 0.00 51.96 54.32 2kfp s ALA 83 Cb -0.23 -3.55 0.84 0.00 0.00 0.00 0.00 23.12 20.18 2kfp s ALA 83 CO 0.37 -0.86 1.61 2.48 0.00 0.00 0.00 175.76 179.36 2kfp n TYR 84 N 0.71 0.14 -0.83 0.00 0.18 -1.26 -4.74 117.16 111.36 2kfp n TYR 84 Ca 0.01 -0.07 0.00 0.00 1.88 0.00 0.00 57.90 59.72 2kfp n TYR 84 Cb 0.40 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.36 2kfp n TYR 84 CO 0.00 0.00 0.00 0.72 -2.08 0.00 0.00 176.86 175.50 2kfp n HIS 85 N 0.31 -3.33 -0.28 -3.48 8.25 -1.26 -4.95 115.22 110.48 2kfp n HIS 85 Ca 0.17 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.57 2kfp n HIS 85 Cb 0.35 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.52 2kfp n HIS 85 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2kfp h MET 86 N 0.00 1.15 0.00 -0.41 2.86 -2.02 -3.43 114.93 113.08 2kfp h MET 86 Ca 0.00 -0.22 -0.12 0.00 -2.06 0.00 0.00 59.70 57.30 2kfp h MET 86 Cb 0.00 -0.18 0.05 0.00 0.06 0.00 0.00 31.60 31.52 2kfp h MET 86 CO 0.00 0.95 0.11 0.09 1.06 0.00 0.00 176.91 179.12 2kfp n ASN 87 N -4.30 0.07 0.16 1.22 5.03 -1.26 -5.02 115.26 111.16 2kfp n ASN 87 Ca 0.07 -1.16 0.00 0.00 0.87 0.00 0.00 54.58 54.36 2kfp n ASN 87 Cb 0.19 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.67 2kfp n ASN 87 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2kfp n LYS 88 N -1.77 0.00 -0.13 3.52 4.81 -1.26 -4.72 118.16 118.60 2kfp n LYS 88 Ca 0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.39 2kfp n LYS 88 Cb 0.17 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.26 2kfp n LYS 88 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 2kfp h GLU 89 N 0.00 0.89 0.01 1.64 4.11 -1.95 -3.18 114.58 116.09 2kfp h GLU 89 Ca 0.00 -0.36 -0.00 0.00 0.07 0.00 0.00 59.36 59.07 2kfp h GLU 89 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2kfp h GLU 89 CO 0.00 1.01 -0.00 0.45 0.07 0.00 0.00 179.01 180.54 2kfp h HIS 90 N 0.77 -0.01 -3.95 2.06 3.86 -1.92 -3.39 115.15 112.58 2kfp h HIS 90 Ca 0.11 -0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.63 2kfp h HIS 90 Cb 0.75 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 28.96 2kfp h HIS 90 CO 0.04 0.24 -0.81 -1.58 0.86 0.00 0.00 177.93 176.69 2kfp s TRP 91 N -5.22 2.63 -0.05 2.45 0.51 -1.20 -2.55 118.94 115.51 2kfp s TRP 91 Ca -0.14 -0.40 0.03 0.00 -2.12 0.00 0.00 56.10 53.46 2kfp s TRP 91 Cb 0.04 -1.65 0.01 0.00 -0.81 0.00 0.00 33.47 31.05 2kfp s TRP 91 CO 0.67 -0.00 -0.12 0.42 -0.51 0.00 0.00 176.95 177.40 2kfp s ILE 92 N -0.38 1.10 0.00 2.03 -1.09 -0.39 -3.73 121.20 118.73 2kfp s ILE 92 Ca 0.04 -0.50 -0.28 0.00 -2.23 0.00 0.00 60.65 57.67 2kfp s ILE 92 Cb -0.12 -0.98 -0.04 0.00 -1.58 0.00 0.00 42.46 39.75 2kfp s ILE 92 CO 0.02 0.33 0.91 -0.89 -1.23 0.00 0.00 174.94 174.08 2kfp s THR 93 N 0.34 4.85 -0.10 2.92 2.01 -0.27 -1.63 115.64 123.76 2kfp s THR 93 Ca -0.08 1.92 0.02 0.00 0.31 0.00 0.00 61.69 63.86 2kfp s THR 93 Cb -0.12 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 2kfp s THR 93 CO 0.02 0.21 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.32 2kfp s VAL 94 N 0.78 2.87 -0.58 3.82 1.01 -1.02 -1.31 120.40 125.97 2kfp s VAL 94 Ca 0.48 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 2kfp s VAL 94 Cb -0.21 -2.16 0.05 0.00 0.00 0.00 0.00 36.38 34.06 2kfp s VAL 94 CO 0.26 0.55 0.92 -0.22 0.00 0.00 0.00 175.10 176.61 2kfp s LEU 95 N 0.03 4.26 0.19 3.92 2.96 -1.02 -2.68 118.68 126.33 2kfp s LEU 95 Ca -0.05 -0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 53.16 2kfp s LEU 95 Cb -0.15 -2.66 0.08 0.00 0.50 0.00 0.00 46.19 43.97 2kfp s LEU 95 CO 0.05 -1.27 1.66 -0.07 -1.32 0.00 0.00 176.35 175.40 2kfp h LEU 96 N 11.00 1.07 -0.11 -0.68 3.38 -1.70 -1.32 115.31 126.94 2kfp h LEU 96 Ca -0.27 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2kfp h LEU 96 Cb 1.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2kfp h LEU 96 CO 1.11 1.09 0.00 0.59 0.09 0.00 0.00 178.44 181.31 2kfp n ASN 97 N -4.20 0.09 -1.75 -0.43 5.03 -1.25 -3.16 115.26 109.60 2kfp n ASN 97 Ca 0.04 -1.68 0.00 0.00 0.87 0.00 0.00 54.58 53.80 2kfp n ASN 97 Cb 0.32 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 39.04 2kfp n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kfp n GLY 98 N 0.31 0.45 0.00 7.41 0.00 -0.50 -4.95 105.19 107.91 2kfp n GLY 98 Ca 0.00 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.45 0.94 -1.81 1.61 -0.04 -1.26 -4.68 135.00 129.31 2kfp n PRO 99 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2kfp n PRO 99 Cb 0.00 -1.48 -0.02 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 -1.96 4.35 0.43 1.53 2.01 -1.26 -4.99 118.68 118.79 2kfp s LEU 100 Ca 0.43 2.91 -0.07 0.00 0.01 0.00 0.00 54.13 57.42 2kfp s LEU 100 Cb 0.20 -3.63 -0.05 0.00 0.01 0.00 0.00 46.19 42.72 2kfp s LEU 100 CO 0.34 -0.88 0.75 -0.83 1.01 0.00 0.00 176.35 176.73 2kfp s GLY 101 N 0.46 1.70 0.17 -3.19 0.00 -1.26 -4.22 107.32 100.99 2kfp s GLY 101 Ca 0.62 -0.41 -0.11 0.00 0.00 0.00 0.00 44.72 44.82 2kfp s GLY 101 CO 0.48 -0.25 1.71 0.00 0.00 0.00 0.00 173.10 175.04 2kfp h ALA 102 N 0.79 0.79 -0.17 3.20 0.00 -2.00 -1.24 119.26 120.64 2kfp h ALA 102 Ca -0.47 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.10 2kfp h ALA 102 Cb 1.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2kfp h ALA 102 CO 0.63 0.45 -0.48 1.57 0.00 0.00 0.00 179.25 181.42 2kfp h LYS 103 N 0.86 0.45 -0.46 0.00 2.10 -2.00 -2.23 116.57 115.29 2kfp h LYS 103 Ca 0.20 -0.25 -0.05 0.00 -2.00 0.00 0.00 60.65 58.54 2kfp h LYS 103 Cb 0.27 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.60 2kfp h LYS 103 CO -0.01 0.83 0.08 0.93 -2.00 0.00 0.00 179.45 179.29 2kfp h GLU 104 N 0.36 0.76 -0.50 0.07 5.08 -1.86 -2.42 114.58 116.08 2kfp h GLU 104 Ca 0.02 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 2kfp h GLU 104 Cb 0.97 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2kfp h GLU 104 CO 0.09 0.77 0.11 0.82 -1.00 0.00 0.00 179.01 179.80 2kfp h ILE 105 N 0.63 1.24 -0.70 3.13 2.04 -1.14 -2.64 117.51 120.09 2kfp h ILE 105 Ca 0.14 -0.87 0.06 0.00 1.00 0.00 0.00 64.86 65.20 2kfp h ILE 105 Cb 0.37 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 2kfp h ILE 105 CO 0.01 0.31 0.39 0.45 0.00 0.00 0.00 178.15 179.31 2kfp h HIS 106 N 0.70 0.71 -0.46 1.37 3.86 -1.20 -0.13 115.15 120.00 2kfp h HIS 106 Ca 0.16 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 2kfp h HIS 106 Cb 0.35 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 2kfp h HIS 106 CO 0.02 0.33 0.24 1.03 0.86 0.00 0.00 177.93 180.41 2kfp h SER 107 N 0.71 0.59 -0.70 2.45 0.87 -1.22 -1.04 113.55 115.20 2kfp h SER 107 Ca 0.32 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 2kfp h SER 107 Cb 0.21 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 2kfp h SER 107 CO -0.19 0.53 0.25 -0.07 -0.53 0.00 0.00 176.83 176.81 2kfp h LEU 108 N 0.60 0.99 -0.58 2.23 3.38 -1.02 -2.64 115.31 118.28 2kfp h LEU 108 Ca 0.16 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2kfp h LEU 108 Cb 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2kfp h LEU 108 CO -0.02 0.92 0.21 0.40 0.09 0.00 0.00 178.44 180.04 2kfp h ILE 109 N 1.01 1.23 -0.78 1.22 2.04 -0.73 -2.34 117.51 119.17 2kfp h ILE 109 Ca 0.23 -0.75 0.14 0.00 1.00 0.00 0.00 64.86 65.48 2kfp h ILE 109 Cb 0.26 0.64 -0.09 0.00 -0.74 0.00 0.00 36.82 36.88 2kfp h ILE 109 CO -0.01 0.29 0.34 -0.08 0.00 0.00 0.00 178.15 178.68 2kfp h GLU 110 N 0.80 0.48 -0.57 2.37 4.57 -0.84 0.68 114.58 122.07 2kfp h GLU 110 Ca 0.19 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 2kfp h GLU 110 Cb 0.24 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 2kfp h GLU 110 CO -0.01 0.32 0.26 -0.44 -1.18 0.00 0.00 179.01 177.95 2kfp h ASP 111 N 0.49 0.76 0.43 1.04 3.32 -1.20 -2.27 116.42 118.98 2kfp h ASP 111 Ca 0.43 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 2kfp h ASP 111 Cb 0.63 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2kfp h ASP 111 CO -0.39 0.69 -0.49 0.77 -1.72 0.00 0.00 179.24 178.10 2kfp h SER 112 N 0.77 0.09 -0.65 6.45 4.64 -0.41 -3.00 113.55 121.44 2kfp h SER 112 Ca 0.19 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.51 2kfp h SER 112 Cb 0.15 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.17 2kfp h SER 112 CO -0.02 0.57 0.39 0.15 -0.87 0.00 0.00 176.83 177.05 2kfp h PHE 113 N 0.06 0.73 -1.02 4.77 3.57 0.83 -0.64 116.94 125.25 2kfp h PHE 113 Ca 0.00 0.02 0.29 0.00 3.53 0.00 0.00 57.97 61.81 2kfp h PHE 113 Cb 0.90 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 2kfp h PHE 113 CO 0.01 0.40 0.72 1.96 -2.23 0.00 0.00 178.31 179.16 2kfp h GLN 114 N 0.76 0.07 0.00 1.11 4.20 -1.34 1.09 115.11 120.99 2kfp h GLN 114 Ca 0.27 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 2kfp h GLN 114 Cb 0.06 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2kfp h GLN 114 CO -0.12 0.04 -0.37 -0.07 -0.67 0.00 0.00 178.83 177.64 2kfp h LEU 115 N 0.07 0.00 -3.16 1.46 4.07 -1.25 -3.23 115.31 113.28 2kfp h LEU 115 Ca 0.50 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.40 2kfp h LEU 115 Cb 1.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.59 2kfp h LEU 115 CO -0.05 0.03 0.00 0.35 -1.08 0.00 0.00 178.44 177.69 2kfp n THR 116 N -2.56 1.87 -1.96 0.22 -2.24 0.37 -4.99 114.28 104.99 2kfp n THR 116 Ca 0.03 -1.28 -0.40 0.00 -2.27 0.00 0.00 64.05 60.13 2kfp n THR 116 Cb 0.49 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.81 2kfp n THR 116 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2kfp s ARG 117 N -1.94 4.03 0.50 -0.78 1.81 -0.55 -4.97 118.95 117.05 2kfp s ARG 117 Ca 0.47 2.32 -0.19 0.00 -1.72 0.00 0.00 55.73 56.61 2kfp s ARG 117 Cb 0.31 -2.85 -0.08 0.00 -0.45 0.00 0.00 34.95 31.88 2kfp s ARG 117 CO 0.21 -0.50 1.01 -0.51 -0.68 0.00 0.00 175.30 174.83 2kfp s LEU 118 N -2.28 3.74 -0.57 2.53 1.02 -1.26 -4.38 118.68 117.49 2kfp s LEU 118 Ca 0.55 1.76 -0.11 0.00 0.02 0.00 0.00 54.13 56.35 2kfp s LEU 118 Cb -0.41 -4.54 0.01 0.00 0.02 0.00 0.00 46.19 41.27 2kfp s LEU 118 CO 0.54 -0.71 0.64 -0.62 0.02 0.00 0.00 176.35 176.23 2kfp n GLU 119 N -1.26 -1.90 -0.20 1.70 1.02 -1.26 -4.90 120.64 113.84 2kfp n GLU 119 Ca 0.08 1.75 -0.09 0.00 -0.02 0.00 0.00 57.16 58.88 2kfp n GLU 119 Cb 0.53 -5.18 0.03 0.00 -0.02 0.00 0.00 31.44 26.81 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 1.29 1.15 -2.52 -0.32 2.07 -1.95 -3.45 115.15 111.43 2kfp h HIS 120 Ca -0.09 -0.21 -0.09 0.00 -2.85 0.00 0.00 60.37 57.13 2kfp h HIS 120 Cb 1.06 -0.29 -0.21 0.00 2.57 0.00 0.00 27.41 30.54 2kfp h HIS 120 CO 0.14 1.03 -0.07 -3.38 -3.07 0.00 0.00 177.93 172.57 2kfp s HIS 121 N -4.95 -0.47 -0.35 6.12 0.00 -1.26 -5.11 115.29 109.27 2kfp s HIS 121 Ca -0.11 0.94 -0.06 0.00 -3.00 0.00 0.00 55.06 52.82 2kfp s HIS 121 Cb 0.13 0.23 0.20 0.00 -4.00 0.00 0.00 32.58 29.15 2kfp s HIS 121 CO 0.86 -0.42 1.04 -1.58 -1.00 0.00 0.00 174.74 173.64 2kfp s HIS 122 N -0.71 -0.47 -0.26 0.38 5.04 -1.26 -5.15 115.29 112.86 2kfp s HIS 122 Ca -0.08 -0.07 -0.11 0.00 -1.54 0.00 0.00 55.06 53.26 2kfp s HIS 122 Cb -0.03 0.09 0.10 0.00 0.04 0.00 0.00 32.58 32.78 2kfp s HIS 122 CO 0.05 -0.35 0.59 -3.38 -2.34 0.00 0.00 174.74 169.31 2kfp s HIS 123 N 1.34 -1.08 0.18 3.88 -3.43 -1.26 -5.04 115.29 109.88 2kfp s HIS 123 Ca 0.21 2.01 -0.09 0.00 -0.80 0.00 0.00 55.06 56.38 2kfp s HIS 123 Cb 0.08 0.60 0.05 0.00 -1.43 0.00 0.00 32.58 31.89 2kfp s HIS 123 CO -0.12 -0.56 1.62 0.45 -2.00 0.00 0.00 174.74 174.13 2kfp h HIS 124 N 7.67 1.18 0.00 0.38 3.86 -2.09 -3.57 115.15 122.58 2kfp h HIS 124 Ca -0.23 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2kfp h HIS 124 Cb 1.15 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.32 2kfp h HIS 124 CO 0.16 1.06 0.00 -2.39 0.86 0.00 0.00 177.93 177.62