#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfp n ASN 2 N 0.00 -1.06 -0.16 6.12 5.03 -1.26 -4.92 115.26 119.01 2kfp n ASN 2 Ca 0.00 -2.69 -0.08 0.00 0.87 0.00 0.00 54.58 52.67 2kfp n ASN 2 Cb 0.00 2.04 0.01 0.00 -1.02 0.00 0.00 39.78 40.80 2kfp n ASN 2 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 2kfp h ARG 3 N 0.00 0.67 -0.66 3.52 2.43 -1.99 -2.49 114.38 115.87 2kfp h ARG 3 Ca -0.23 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 2kfp h ARG 3 Cb 1.03 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 2kfp h ARG 3 CO 0.31 0.56 0.32 0.37 -1.51 0.00 0.00 179.97 180.03 2kfp h GLN 4 N 0.61 0.92 -0.97 0.20 5.75 -2.00 -1.85 115.11 117.78 2kfp h GLN 4 Ca 0.16 -0.12 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 2kfp h GLN 4 Cb 0.11 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.43 2kfp h GLN 4 CO -0.02 0.71 0.64 1.96 -2.65 0.00 0.00 178.83 179.47 2kfp h GLN 5 N 0.92 1.27 -0.70 1.69 1.08 -1.85 -2.20 115.11 115.32 2kfp h GLN 5 Ca 0.23 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.32 2kfp h GLN 5 Cb 0.08 -0.29 -0.03 0.00 -0.05 0.00 0.00 27.48 27.19 2kfp h GLN 5 CO -0.03 0.84 0.32 0.35 -0.95 0.00 0.00 178.83 179.36 2kfp h PHE 6 N 1.31 1.03 -0.26 2.96 3.57 -0.99 -2.04 116.94 122.52 2kfp h PHE 6 Ca 0.35 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.81 2kfp h PHE 6 Cb -0.15 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.26 2kfp h PHE 6 CO -0.00 0.78 0.15 0.82 -2.23 0.00 0.00 178.31 177.82 2kfp h ILE 7 N 0.99 1.02 -0.47 1.41 1.08 -1.03 0.68 117.51 121.19 2kfp h ILE 7 Ca 0.24 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.57 2kfp h ILE 7 Cb 0.15 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 2kfp h ILE 7 CO -0.03 0.06 0.16 -2.24 -0.69 0.00 0.00 178.15 175.41 2kfp h ASP 8 N 0.30 0.68 -0.14 1.72 3.04 -1.33 0.16 116.42 120.84 2kfp h ASP 8 Ca 0.10 -0.20 -0.01 0.00 -3.24 0.00 0.00 57.03 53.69 2kfp h ASP 8 Cb 0.01 -0.18 -0.01 0.00 -1.04 0.00 0.00 39.33 38.11 2kfp h ASP 8 CO -0.05 0.69 0.07 0.22 -2.04 0.00 0.00 179.24 178.13 2kfp h TYR 9 N 0.63 0.21 -0.49 4.15 5.03 -1.05 0.58 116.97 126.02 2kfp h TYR 9 Ca 0.15 -0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.35 2kfp h TYR 9 Cb 0.25 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 2kfp h TYR 9 CO 0.01 0.26 -0.10 0.00 -1.32 0.00 0.00 178.16 177.00 2kfp h ALA 10 N 0.93 0.68 -0.07 1.82 0.00 -0.77 -0.84 119.26 121.00 2kfp h ALA 10 Ca 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2kfp h ALA 10 Cb 0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2kfp h ALA 10 CO -0.01 0.58 0.02 0.37 0.00 0.00 0.00 179.25 180.21 2kfp h GLN 11 N 0.80 0.12 -0.21 0.00 5.75 -0.52 0.14 115.11 121.18 2kfp h GLN 11 Ca 0.13 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 2kfp h GLN 11 Cb 0.66 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 2kfp h GLN 11 CO 0.05 0.32 -0.23 0.87 -2.65 0.00 0.00 178.83 177.18 2kfp h LYS 12 N -0.10 0.39 0.00 1.69 1.57 -0.86 2.52 116.57 121.78 2kfp h LYS 12 Ca 0.02 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2kfp h LYS 12 Cb 0.25 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2kfp h LYS 12 CO 0.00 0.60 -0.43 1.17 -0.57 0.00 0.00 179.45 180.23 2kfp n LYS 13 N -4.15 0.12 0.00 3.15 4.81 -0.33 -4.33 118.16 117.44 2kfp n LYS 13 Ca -0.00 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2kfp n LYS 13 Cb 0.38 -1.59 0.00 0.00 0.02 0.00 0.00 35.03 33.84 2kfp n LYS 13 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2kfp n TYR 14 N -1.77 0.00 -3.53 5.64 4.01 0.49 -5.00 117.16 116.99 2kfp n TYR 14 Ca 0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.57 2kfp n TYR 14 Cb 0.38 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.38 2kfp n TYR 14 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2kfp n ASP 15 N 0.00 -1.68 -4.58 7.72 5.68 0.85 -4.88 116.55 119.65 2kfp n ASP 15 Ca 0.00 -0.40 -0.34 0.00 -0.50 0.00 0.00 54.79 53.55 2kfp n ASP 15 Cb 0.24 -1.51 -0.11 0.00 -1.14 0.00 0.00 41.12 38.61 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 -2.68 3.81 0.25 2.12 -1.32 -1.26 -5.05 115.64 111.52 2kfp s THR 16 Ca 0.43 -0.43 -0.09 0.00 -1.21 0.00 0.00 61.69 60.40 2kfp s THR 16 Cb -0.25 -2.59 -0.07 0.00 -1.51 0.00 0.00 72.50 68.09 2kfp s THR 16 CO 0.52 0.58 0.55 -0.54 -2.21 0.00 0.00 174.62 173.53 2kfp s LYS 17 N -0.60 3.76 0.53 7.08 1.02 -1.26 -4.55 119.74 125.73 2kfp s LYS 17 Ca 0.09 0.22 -0.20 0.00 0.02 0.00 0.00 55.97 56.09 2kfp s LYS 17 Cb -0.12 -2.64 -0.06 0.00 -0.52 0.00 0.00 37.83 34.49 2kfp s LYS 17 CO 0.02 0.29 1.16 -1.25 -0.92 0.00 0.00 175.35 174.64 2kfp s PRO 18 N -3.00 3.37 -0.05 -1.68 0.04 -1.26 -4.74 135.00 127.68 2kfp s PRO 18 Ca 0.47 1.71 0.05 0.00 0.04 0.00 0.00 61.00 63.26 2kfp s PRO 18 Cb -0.11 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 2kfp s PRO 18 CO 0.23 -0.85 -0.20 -0.51 0.04 0.00 0.00 177.00 175.71 2kfp s ASP 19 N -1.62 2.49 -0.51 6.66 1.01 -0.85 -4.86 116.67 119.00 2kfp s ASP 19 Ca 0.71 -0.42 0.03 0.00 0.71 0.00 0.00 52.55 53.59 2kfp s ASP 19 Cb -0.27 -0.77 0.15 0.00 1.01 0.00 0.00 42.92 43.04 2kfp s ASP 19 CO 0.30 0.17 0.33 -1.38 0.21 0.00 0.00 175.17 174.80 2kfp s HIS 20 N 0.06 2.27 -0.84 4.23 -3.43 -1.26 0.02 115.29 116.34 2kfp s HIS 20 Ca -0.06 -2.68 0.27 0.00 -0.80 0.00 0.00 55.06 51.79 2kfp s HIS 20 Cb -0.13 -1.95 0.91 0.00 -1.43 0.00 0.00 32.58 29.97 2kfp s HIS 20 CO 0.03 -0.73 1.77 -0.35 -2.00 0.00 0.00 174.74 173.47 2kfp n PRO 21 N 2.97 0.15 -3.02 -0.38 -0.04 -1.26 -4.59 135.00 128.83 2kfp n PRO 21 Ca 0.16 0.11 -0.44 0.00 -0.04 0.00 0.00 63.50 63.29 2kfp n PRO 21 Cb 0.37 -1.67 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 2kfp n PRO 21 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kfp s TRP 22 N -3.06 2.98 -0.05 0.54 0.51 -1.26 -4.86 118.94 113.74 2kfp s TRP 22 Ca 0.11 -1.00 0.31 0.00 -2.12 0.00 0.00 56.10 53.41 2kfp s TRP 22 Cb 0.15 -4.13 1.27 0.00 -0.81 0.00 0.00 33.47 29.96 2kfp s TRP 22 CO 0.59 -1.41 1.92 1.05 -0.51 0.00 0.00 176.95 178.59 2kfp h GLU 23 N 9.13 0.00 0.00 4.98 4.11 -2.00 -2.17 114.58 128.63 2kfp h GLU 23 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2kfp h GLU 23 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2kfp h GLU 23 CO 1.10 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.81 2kfp n LYS 24 N -2.87 0.44 -2.86 1.06 5.02 -1.26 -4.18 118.16 113.52 2kfp n LYS 24 Ca 0.01 0.04 -0.08 0.00 -2.02 0.00 0.00 58.31 56.26 2kfp n LYS 24 Cb 0.28 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.23 -3.37 0.32 2.13 3.72 -0.82 -4.99 117.46 113.23 2kfp n PHE 25 Ca 0.13 -1.69 0.21 0.00 -0.05 0.00 0.00 57.45 56.06 2kfp n PHE 25 Cb 0.18 1.30 1.12 0.00 -0.94 0.00 0.00 39.48 41.14 2kfp n PHE 25 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2kfp h PRO 26 N 5.04 0.00 0.00 -1.08 0.11 -1.72 -0.08 132.00 134.26 2kfp h PRO 26 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2kfp h PRO 26 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2kfp h PRO 26 CO 0.08 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.62 2kfp n ASP 27 N -2.98 0.00 -4.78 -2.05 8.00 -1.26 -4.71 116.55 108.77 2kfp n ASP 27 Ca -0.03 0.03 -0.39 0.00 0.71 0.00 0.00 54.79 55.12 2kfp n ASP 27 Cb 0.10 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 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 3.79 -0.01 1.24 1.51 -0.05 -4.62 117.35 116.62 2kfp s TYR 28 Ca 0.18 1.35 -0.01 0.00 -1.01 0.00 0.00 57.07 57.58 2kfp s TYR 28 Cb 0.13 -2.62 0.00 0.00 -0.11 0.00 0.00 41.96 39.36 2kfp s TYR 28 CO 0.31 0.47 0.03 0.00 -1.11 0.00 0.00 175.55 175.24 2kfp s ALA 29 N -0.74 -0.06 -0.14 3.71 0.00 -1.02 -4.37 121.76 119.14 2kfp s ALA 29 Ca 0.32 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.30 2kfp s ALA 29 Cb -0.20 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2kfp s ALA 29 CO 0.20 -0.04 -0.19 0.08 0.00 0.00 0.00 175.76 175.82 2kfp s VAL 30 N -0.18 2.38 -0.25 0.00 1.01 0.10 -2.16 120.40 121.30 2kfp s VAL 30 Ca -0.02 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 2kfp s VAL 30 Cb -0.02 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2kfp s VAL 30 CO -0.00 0.54 0.06 -0.36 0.00 0.00 0.00 175.10 175.34 2kfp s PHE 31 N 0.70 3.07 0.09 5.22 0.08 -1.09 -2.00 117.98 124.05 2kfp s PHE 31 Ca -0.09 -0.47 -0.13 0.00 0.12 0.00 0.00 56.93 56.36 2kfp s PHE 31 Cb -0.16 -2.23 0.02 0.00 -0.57 0.00 0.00 43.02 40.09 2kfp s PHE 31 CO 0.01 -0.37 0.31 -0.98 -0.10 0.00 0.00 175.22 174.09 2kfp s ARG 32 N 1.59 0.92 -0.21 0.44 1.70 -1.26 -4.05 118.95 118.08 2kfp s ARG 32 Ca 0.06 -0.71 -0.12 0.00 -0.47 0.00 0.00 55.73 54.49 2kfp s ARG 32 Cb -0.15 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.58 2kfp s ARG 32 CO 0.03 -0.32 0.24 -1.01 -1.08 0.00 0.00 175.30 173.16 2kfp s HIS 33 N -3.40 3.36 0.30 5.89 3.76 -1.26 -4.83 115.29 119.11 2kfp s HIS 33 Ca 0.01 0.40 0.04 0.00 -0.15 0.00 0.00 55.06 55.35 2kfp s HIS 33 Cb 0.02 -2.33 0.48 0.00 1.11 0.00 0.00 32.58 31.86 2kfp s HIS 33 CO -0.09 0.10 1.77 0.66 -0.85 0.00 0.00 174.74 176.33 2kfp h SER 34 N 7.24 0.45 -0.73 1.40 4.64 -1.96 0.51 113.55 125.10 2kfp h SER 34 Ca -0.38 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 60.75 2kfp h SER 34 Cb 1.16 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 2kfp h SER 34 CO 0.70 0.66 0.24 0.44 -0.87 0.00 0.00 176.83 178.01 2kfp h ASP 35 N 0.42 1.05 0.41 4.97 3.32 -2.00 -2.67 116.42 121.92 2kfp h ASP 35 Ca 0.07 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2kfp h ASP 35 Cb 0.58 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2kfp h ASP 35 CO 0.04 0.97 -0.81 -3.20 -1.72 0.00 0.00 179.24 174.52 2kfp n ASN 36 N -4.26 0.64 0.00 6.45 2.85 -1.05 -4.94 115.26 114.95 2kfp n ASN 36 Ca 0.06 -0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.20 2kfp n ASN 36 Cb 0.22 0.59 0.00 0.00 1.24 0.00 0.00 39.78 41.83 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 -1.74 0.00 -4.69 1.20 2.03 0.17 -4.74 116.55 108.79 2kfp n ASP 37 Ca 0.04 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.92 2kfp n ASP 37 Cb 0.38 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.75 2kfp n ASP 37 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2kfp s LYS 38 N 0.00 4.18 -0.30 -0.67 2.20 -1.26 -4.66 119.74 119.23 2kfp s LYS 38 Ca 0.00 2.40 -0.17 0.00 -0.36 0.00 0.00 55.97 57.84 2kfp s LYS 38 Cb 0.00 -3.64 0.21 0.00 -1.51 0.00 0.00 37.83 32.89 2kfp s LYS 38 CO 0.00 -0.78 1.27 -0.46 -0.36 0.00 0.00 175.35 175.03 2kfp s TRP 39 N 2.80 -0.07 -0.18 4.03 -0.00 -1.26 -4.80 118.94 119.47 2kfp s TRP 39 Ca 0.76 0.13 -0.01 0.00 -0.00 0.00 0.00 56.10 56.98 2kfp s TRP 39 Cb -0.41 0.04 -0.00 0.00 -0.00 0.00 0.00 33.47 33.10 2kfp s TRP 39 CO 0.34 -0.03 -0.12 0.71 -0.00 0.00 0.00 176.95 177.84 2kfp s TYR 40 N 1.40 2.85 -0.27 5.86 1.51 -1.26 -4.80 117.35 122.63 2kfp s TYR 40 Ca -0.05 -1.05 -0.00 0.00 -1.01 0.00 0.00 57.07 54.96 2kfp s TYR 40 Cb -0.02 -1.96 0.16 0.00 -0.11 0.00 0.00 41.96 40.03 2kfp s TYR 40 CO -0.12 -0.52 0.44 0.00 -1.11 0.00 0.00 175.55 174.25 2kfp s ALA 41 N 1.06 -1.44 -0.18 3.71 0.00 -1.26 -4.83 121.76 118.82 2kfp s ALA 41 Ca -0.00 0.89 -0.05 0.00 0.00 0.00 0.00 51.96 52.79 2kfp s ALA 41 Cb -0.15 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 2kfp s ALA 41 CO -0.03 -1.47 -0.00 -0.51 0.00 0.00 0.00 175.76 173.75 2kfp s LEU 42 N 2.62 3.39 -0.18 0.00 2.01 -1.26 -2.66 118.68 122.60 2kfp s LEU 42 Ca 0.13 -0.10 0.01 0.00 0.01 0.00 0.00 54.13 54.18 2kfp s LEU 42 Cb -0.14 -1.84 0.03 0.00 0.01 0.00 0.00 46.19 44.25 2kfp s LEU 42 CO -0.22 0.14 -0.15 -0.22 1.01 0.00 0.00 176.35 176.91 2kfp s LEU 43 N 0.57 2.08 0.18 1.79 0.20 -0.92 -1.83 118.68 120.76 2kfp s LEU 43 Ca -0.01 -0.69 -0.24 0.00 0.69 0.00 0.00 54.13 53.89 2kfp s LEU 43 Cb -0.14 -1.32 0.05 0.00 -0.43 0.00 0.00 46.19 44.36 2kfp s LEU 43 CO 0.02 -0.06 0.79 0.00 -0.29 0.00 0.00 176.35 176.80 2kfp s MET 44 N 1.37 1.39 0.06 1.98 0.23 -1.13 -2.43 119.30 120.78 2kfp s MET 44 Ca 0.03 -0.70 -0.12 0.00 -1.03 0.00 0.00 55.69 53.87 2kfp s MET 44 Cb -0.14 0.52 -0.06 0.00 -1.53 0.00 0.00 34.83 33.62 2kfp s MET 44 CO -0.11 -0.63 0.41 -0.51 -2.03 0.00 0.00 175.02 172.16 2kfp s ASP 45 N -2.84 6.71 -0.07 -1.18 1.01 -1.26 -2.62 116.67 116.43 2kfp s ASP 45 Ca 0.09 0.87 -0.15 0.00 0.71 0.00 0.00 52.55 54.06 2kfp s ASP 45 Cb -0.03 -2.21 0.03 0.00 1.01 0.00 0.00 42.92 41.72 2kfp s ASP 45 CO -0.00 0.21 0.36 0.27 0.21 0.00 0.00 175.17 176.22 2kfp s ILE 46 N -1.30 0.03 0.43 0.77 -4.36 -1.02 -4.94 121.20 110.81 2kfp s ILE 46 Ca 0.30 -0.26 -0.22 0.00 -0.26 0.00 0.00 60.65 60.21 2kfp s ILE 46 Cb -0.15 -0.61 -0.12 0.00 1.25 0.00 0.00 42.46 42.83 2kfp s ILE 46 CO 0.17 -0.15 0.56 -2.65 0.24 0.00 0.00 174.94 173.11 2kfp n PRO 47 N 1.85 0.59 0.26 0.37 -0.02 -1.26 -2.83 135.00 133.96 2kfp n PRO 47 Ca -0.18 0.22 0.15 0.00 -2.02 0.00 0.00 63.50 61.67 2kfp n PRO 47 Cb 0.57 -1.53 0.63 0.00 -0.02 0.00 0.00 33.50 33.14 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 0.79 1.01 0.00 3.55 0.00 -1.17 -2.69 119.26 120.75 2kfp h ALA 48 Ca -0.41 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kfp h ALA 48 Cb 1.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2kfp h ALA 48 CO 0.51 0.07 0.00 1.05 0.00 0.00 0.00 179.25 180.88 2kfp h GLU 49 N 0.00 0.00 0.00 0.00 4.11 -1.80 -2.51 114.58 114.38 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 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2kfp h GLU 49 CO 0.01 0.00 -0.26 1.63 0.07 0.00 0.00 179.01 180.46 2kfp n LYS 50 N -2.71 0.03 -0.19 1.06 5.02 -1.01 -3.46 118.16 116.89 2kfp n LYS 50 Ca 0.01 0.01 0.09 0.00 -2.02 0.00 0.00 58.31 56.40 2kfp n LYS 50 Cb 0.26 -1.52 0.19 0.00 -0.02 0.00 0.00 35.03 33.94 2kfp n LYS 50 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2kfp n ILE 51 N -1.56 0.71 0.00 -0.18 -5.35 -0.98 -4.79 119.36 107.21 2kfp n ILE 51 Ca 0.06 -0.86 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 2kfp n ILE 51 Cb 0.35 0.75 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 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 1.51 3.71 3.28 0.00 -1.22 -4.77 105.19 108.72 2kfp n GLY 52 Ca 0.15 0.00 -0.40 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 -2.37 5.03 -0.64 -0.61 1.01 -1.00 -4.99 121.20 117.64 2kfp s ILE 53 Ca 0.00 1.44 -0.22 0.00 0.00 0.00 0.00 60.65 61.87 2kfp s ILE 53 Cb 0.00 -4.04 0.07 0.00 0.01 0.00 0.00 42.46 38.50 2kfp s ILE 53 CO 0.00 0.22 0.93 0.21 0.00 0.00 0.00 174.94 176.31 2kfp s ASN 54 N 0.85 6.19 0.00 3.58 3.84 -1.26 -2.73 114.94 125.42 2kfp s ASN 54 Ca 0.37 -0.94 0.00 0.00 0.21 0.00 0.00 52.86 52.49 2kfp s ASN 54 Cb -0.17 -2.41 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 2kfp s ASN 54 CO 0.17 -1.38 0.00 0.61 -2.79 0.00 0.00 177.10 173.71 2kfp n GLY 55 N 5.30 0.00 2.62 1.21 0.00 -1.26 -5.01 105.19 108.04 2kfp n GLY 55 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 2kfp n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kfp n ASP 56 N -0.12 -5.24 -4.82 1.61 8.00 -1.26 -4.95 116.55 109.77 2kfp n ASP 56 Ca 0.00 -0.05 -0.33 0.00 0.71 0.00 0.00 54.79 55.12 2kfp n ASP 56 Cb 0.00 -4.34 -0.06 0.00 -0.02 0.00 0.00 41.12 36.69 2kfp n ASP 56 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kfp s LYS 57 N -5.26 3.20 0.02 -1.24 1.02 -1.26 -4.68 119.74 111.55 2kfp s LYS 57 Ca 0.10 -0.40 -0.30 0.00 0.02 0.00 0.00 55.97 55.38 2kfp s LYS 57 Cb -0.05 -2.95 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 2kfp s LYS 57 CO 0.12 0.67 1.22 1.03 -0.92 0.00 0.00 175.35 177.47 2kfp s ARG 58 N -1.71 4.39 0.17 1.68 0.52 -1.26 -0.67 118.95 122.07 2kfp s ARG 58 Ca 0.23 1.76 0.04 0.00 -0.52 0.00 0.00 55.73 57.25 2kfp s ARG 58 Cb -0.12 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.88 2kfp s ARG 58 CO 0.14 -0.34 -0.08 0.14 0.02 0.00 0.00 175.30 175.18 2kfp s VAL 59 N 1.52 1.17 -0.10 3.52 -7.23 -1.13 -4.94 120.40 113.20 2kfp s VAL 59 Ca 0.58 -2.06 -0.16 0.00 -1.81 0.00 0.00 61.98 58.53 2kfp s VAL 59 Cb -0.28 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 2kfp s VAL 59 CO 0.27 -0.65 0.41 -1.81 -0.31 0.00 0.00 175.10 173.01 2kfp s ASP 60 N -3.20 6.65 0.08 4.85 1.01 -1.26 -2.42 116.67 122.38 2kfp s ASP 60 Ca 0.19 0.77 0.02 0.00 0.71 0.00 0.00 52.55 54.25 2kfp s ASP 60 Cb 0.03 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 2kfp s ASP 60 CO 0.03 0.10 -0.08 0.68 0.21 0.00 0.00 175.17 176.11 2kfp s VAL 61 N 0.19 0.72 0.11 -1.27 -7.23 -1.08 -1.67 120.40 110.18 2kfp s VAL 61 Ca 0.23 -1.62 0.05 0.00 -1.81 0.00 0.00 61.98 58.83 2kfp s VAL 61 Cb -0.15 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 2kfp s VAL 61 CO 0.09 -0.65 -0.12 0.27 -0.31 0.00 0.00 175.10 174.38 2kfp s ILE 62 N -2.68 1.17 -0.27 -0.62 -4.36 -1.11 -2.85 121.20 110.48 2kfp s ILE 62 Ca 0.04 -1.71 -0.17 0.00 -0.26 0.00 0.00 60.65 58.54 2kfp s ILE 62 Cb -0.01 -1.49 -0.03 0.00 1.25 0.00 0.00 42.46 42.18 2kfp s ILE 62 CO -0.02 -0.50 0.50 -0.62 0.24 0.00 0.00 174.94 174.54 2kfp s ASP 63 N -2.50 6.40 -0.20 4.36 2.15 -0.76 -2.67 116.67 123.44 2kfp s ASP 63 Ca 0.08 0.46 -0.02 0.00 0.43 0.00 0.00 52.55 53.51 2kfp s ASP 63 Cb -0.04 -2.27 0.01 0.00 -0.30 0.00 0.00 42.92 40.32 2kfp s ASP 63 CO 0.02 -0.28 -0.11 -0.22 -0.17 0.00 0.00 175.17 174.40 2kfp s LEU 64 N 2.28 2.56 0.04 -1.34 1.98 -0.98 -4.53 118.68 118.69 2kfp s LEU 64 Ca 0.20 -0.53 -0.23 0.00 -2.89 0.00 0.00 54.13 50.69 2kfp s LEU 64 Cb -0.16 -1.62 -0.06 0.00 0.66 0.00 0.00 46.19 45.02 2kfp s LEU 64 CO 0.09 -0.02 0.68 -1.59 -1.89 0.00 0.00 176.35 173.63 2kfp s LYS 65 N 1.39 4.41 0.13 1.98 -2.85 -1.26 -2.17 119.74 121.36 2kfp s LYS 65 Ca 0.05 0.91 -0.02 0.00 -1.00 0.00 0.00 55.97 55.92 2kfp s LYS 65 Cb -0.14 -3.33 -0.04 0.00 -2.06 0.00 0.00 37.83 32.26 2kfp s LYS 65 CO -0.08 0.38 0.07 0.14 0.10 0.00 0.00 175.35 175.97 2kfp s VAL 66 N -0.33 0.10 0.54 1.79 -7.23 0.28 -4.67 120.40 110.88 2kfp s VAL 66 Ca 0.34 -1.86 -0.18 0.00 -1.81 0.00 0.00 61.98 58.48 2kfp s VAL 66 Cb -0.20 -2.00 -0.06 0.00 0.56 0.00 0.00 36.38 34.68 2kfp s VAL 66 CO 0.21 -0.48 1.04 -1.10 -0.31 0.00 0.00 175.10 174.46 2kfp s GLN 67 N -4.04 3.60 0.45 4.82 -0.21 -1.26 -4.44 119.66 118.58 2kfp s GLN 67 Ca 0.23 1.23 0.25 0.00 0.02 0.00 0.00 55.36 57.09 2kfp s GLN 67 Cb 0.07 -2.07 1.27 0.00 1.00 0.00 0.00 33.01 33.28 2kfp s GLN 67 CO 0.01 -0.59 1.79 -1.35 -2.12 0.00 0.00 175.29 173.04 2kfp h PRO 68 N 0.95 0.24 0.00 2.91 0.11 -1.95 0.16 132.00 134.43 2kfp h PRO 68 Ca -0.48 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.38 2kfp h PRO 68 Cb 1.22 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 2kfp h PRO 68 CO 0.59 0.16 -1.32 1.49 -0.21 0.00 0.00 178.00 178.71 2kfp h GLU 69 N 0.25 0.00 -0.04 1.05 4.57 -1.93 -3.29 114.58 115.18 2kfp h GLU 69 Ca 0.57 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.75 2kfp h GLU 69 Cb 1.74 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.33 2kfp h GLU 69 CO -0.19 0.67 0.00 1.28 -1.18 0.00 0.00 179.01 179.59 2kfp n LEU 70 N -3.16 1.28 -0.16 1.64 4.77 0.36 -3.96 117.00 117.77 2kfp n LEU 70 Ca -0.08 -0.46 -0.10 0.00 -0.03 0.00 0.00 56.01 55.34 2kfp n LEU 70 Cb 0.96 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 42.03 2kfp n LEU 70 CO 0.45 0.23 0.80 1.62 -1.33 0.00 0.00 177.39 179.16 2kfp h VAL 71 N 1.93 1.26 -0.59 4.08 3.04 -1.07 -2.60 116.25 122.30 2kfp h VAL 71 Ca 0.00 -1.04 -0.09 0.00 -1.01 0.00 0.00 66.70 64.56 2kfp h VAL 71 Cb 0.41 1.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.69 2kfp h VAL 71 CO 0.00 0.36 0.02 1.23 -1.01 0.00 0.00 177.57 178.17 2kfp h GLY 72 N 0.67 1.11 1.34 3.17 0.00 -1.80 0.80 103.07 108.36 2kfp h GLY 72 Ca 0.13 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 2kfp h GLY 72 CO 0.02 0.74 0.38 1.48 0.00 0.00 0.00 176.54 179.17 2kfp h SER 73 N 0.92 0.77 0.32 0.19 4.64 -1.73 0.22 113.55 118.89 2kfp h SER 73 Ca 0.17 -0.04 -0.33 0.00 -0.47 0.00 0.00 61.79 61.12 2kfp h SER 73 Cb 0.53 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2kfp h SER 73 CO 0.03 0.60 -1.68 0.25 -0.87 0.00 0.00 176.83 175.16 2kfp h LEU 74 N 0.89 0.45 -0.64 5.97 6.46 -1.17 -3.33 115.31 123.95 2kfp h LEU 74 Ca 0.23 -0.70 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 2kfp h LEU 74 Cb -0.03 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 2kfp h LEU 74 CO -0.04 1.59 0.00 -0.09 -0.62 0.00 0.00 178.44 179.28 2kfp h ARG 75 N 0.08 0.00 -0.00 1.25 2.43 0.93 -2.69 114.38 116.37 2kfp h ARG 75 Ca -0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2kfp h ARG 75 Cb 2.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 2kfp h ARG 75 CO 0.15 0.00 -0.20 0.36 -1.51 0.00 0.00 179.97 178.77 2kfp n LYS 76 N -2.61 0.32 -2.93 0.20 -0.00 0.75 -4.78 118.16 109.12 2kfp n LYS 76 Ca 0.03 -0.12 -0.41 0.00 -0.00 0.00 0.00 58.31 57.81 2kfp n LYS 76 Cb 0.34 -1.50 -0.04 0.00 -0.00 0.00 0.00 35.03 33.83 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 -2.76 4.26 0.47 -1.58 1.02 -1.02 -5.01 119.74 115.11 2kfp s LYS 77 Ca 0.20 0.93 -0.22 0.00 0.02 0.00 0.00 55.97 56.90 2kfp s LYS 77 Cb 0.19 -3.59 -0.10 0.00 -0.52 0.00 0.00 37.83 33.81 2kfp s LYS 77 CO 0.56 -0.35 0.76 -2.30 -0.92 0.00 0.00 175.35 173.09 2kfp n PRO 78 N 5.37 0.88 0.00 -1.68 -0.02 -1.26 -2.33 135.00 135.95 2kfp n PRO 78 Ca 0.04 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2kfp n PRO 78 Cb 0.49 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2kfp n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kfp n GLY 79 N 1.51 3.25 3.52 -1.23 0.00 -1.26 -4.73 105.19 106.26 2kfp n GLY 79 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.22 4.61 0.12 -0.61 1.01 -0.99 -2.44 121.20 120.68 2kfp s ILE 80 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 60.65 60.67 2kfp s ILE 80 Cb 0.00 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 2kfp s ILE 80 CO 0.00 0.36 -0.24 -0.31 0.00 0.00 0.00 174.94 174.75 2kfp s TYR 81 N 1.27 2.38 1.00 3.97 2.02 -0.85 -4.80 117.35 122.35 2kfp s TYR 81 Ca 0.05 -0.35 -0.22 0.00 -0.37 0.00 0.00 57.07 56.18 2kfp s TYR 81 Cb -0.15 -1.30 -0.16 0.00 -0.40 0.00 0.00 41.96 39.95 2kfp s TYR 81 CO 0.04 0.33 -1.14 -2.30 -1.57 0.00 0.00 175.55 170.91 2kfp n PRO 82 N 0.98 -0.05 -2.28 -1.71 -0.02 -1.26 -2.41 135.00 128.26 2kfp n PRO 82 Ca -0.17 -0.01 -0.37 0.00 -2.02 0.00 0.00 63.50 60.93 2kfp n PRO 82 Cb 0.53 -1.04 -0.01 0.00 -0.02 0.00 0.00 33.50 32.96 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 -2.01 2.93 0.82 3.55 0.00 -1.26 -3.87 121.76 121.91 2kfp s ALA 83 Ca 0.39 0.90 -0.12 0.00 0.00 0.00 0.00 51.96 53.13 2kfp s ALA 83 Cb -0.04 -3.37 0.09 0.00 0.00 0.00 0.00 23.12 19.80 2kfp s ALA 83 CO 0.74 -0.65 1.13 1.52 0.00 0.00 0.00 175.76 178.49 2kfp s TYR 84 N -1.60 2.82 0.00 0.00 -0.85 -1.26 -4.60 117.35 111.86 2kfp s TYR 84 Ca 0.65 0.96 0.00 0.00 -0.52 0.00 0.00 57.07 58.16 2kfp s TYR 84 Cb -0.27 -3.27 0.00 0.00 0.38 0.00 0.00 41.96 38.80 2kfp s TYR 84 CO 0.33 -1.88 0.00 0.72 -1.52 0.00 0.00 175.55 173.20 2kfp n HIS 85 N -3.46 0.00 -2.18 -3.49 8.25 -1.26 -4.61 115.22 108.47 2kfp n HIS 85 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2kfp n HIS 85 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 2kfp n HIS 85 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2kfp n MET 86 N 0.00 0.30 -3.01 -0.41 2.81 -1.26 -4.92 117.12 110.63 2kfp n MET 86 Ca 0.00 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.67 2kfp n MET 86 Cb 0.00 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 32.54 2kfp n MET 86 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2kfp n ASN 87 N 0.00 -6.03 -3.55 7.83 3.02 -1.26 -4.79 115.26 110.48 2kfp n ASN 87 Ca 0.00 -0.28 -0.40 0.00 -0.03 0.00 0.00 54.58 53.86 2kfp n ASN 87 Cb 0.00 -4.88 -0.01 0.00 -0.61 0.00 0.00 39.78 34.29 2kfp n ASN 87 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2kfp n LYS 88 N -3.99 4.24 0.05 3.52 4.81 -1.26 -3.49 118.16 122.05 2kfp n LYS 88 Ca -0.12 -3.31 0.00 0.00 -0.87 0.00 0.00 58.31 54.02 2kfp n LYS 88 Cb 0.62 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.94 2kfp n LYS 88 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kfp n GLU 89 N 2.51 0.00 0.03 1.64 1.02 -1.26 -4.93 120.64 119.65 2kfp n GLU 89 Ca 0.59 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.84 2kfp n GLU 89 Cb 0.27 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.60 2kfp n GLU 89 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kfp n HIS 90 N -2.80 0.33 -4.61 -0.32 8.25 -1.26 -4.39 115.22 110.42 2kfp n HIS 90 Ca 0.00 0.09 -0.34 0.00 -0.26 0.00 0.00 57.72 57.22 2kfp n HIS 90 Cb 0.00 -0.62 -0.12 0.00 1.12 0.00 0.00 29.99 30.38 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 -3.42 2.94 0.06 4.41 0.51 -1.23 -0.56 118.94 121.65 2kfp s TRP 91 Ca -0.04 -0.06 0.02 0.00 -2.12 0.00 0.00 56.10 53.90 2kfp s TRP 91 Cb 0.13 -1.75 -0.03 0.00 -0.81 0.00 0.00 33.47 31.01 2kfp s TRP 91 CO 0.86 0.25 -0.07 0.42 -0.51 0.00 0.00 176.95 177.91 2kfp s ILE 92 N -0.60 0.57 -0.18 2.03 -1.09 -0.92 -4.22 121.20 116.79 2kfp s ILE 92 Ca 0.09 -1.44 -0.11 0.00 -2.23 0.00 0.00 60.65 56.97 2kfp s ILE 92 Cb -0.12 -1.05 -0.05 0.00 -1.58 0.00 0.00 42.46 39.67 2kfp s ILE 92 CO 0.02 -0.60 0.18 -0.89 -1.23 0.00 0.00 174.94 172.41 2kfp s THR 93 N -2.36 5.39 -0.10 2.92 2.01 -1.01 -2.32 115.64 120.16 2kfp s THR 93 Ca -0.01 0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.30 2kfp s THR 93 Cb -0.03 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 2kfp s THR 93 CO -0.02 0.45 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.55 2kfp s VAL 94 N 0.21 3.22 -0.39 3.82 1.01 -1.09 -2.01 120.40 125.18 2kfp s VAL 94 Ca 0.11 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 2kfp s VAL 94 Cb -0.12 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.94 2kfp s VAL 94 CO 0.00 0.55 0.53 -0.22 0.00 0.00 0.00 175.10 175.97 2kfp s LEU 95 N -0.08 4.48 0.19 3.92 2.96 -1.02 -2.74 118.68 126.40 2kfp s LEU 95 Ca -0.02 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.59 2kfp s LEU 95 Cb -0.14 -2.59 0.11 0.00 0.50 0.00 0.00 46.19 44.07 2kfp s LEU 95 CO 0.03 -0.58 1.66 -0.07 -1.32 0.00 0.00 176.35 176.08 2kfp h LEU 96 N 9.25 1.02 0.00 -0.68 3.38 -1.65 -1.70 115.31 124.93 2kfp h LEU 96 Ca -0.27 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2kfp h LEU 96 Cb 1.11 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2kfp h LEU 96 CO 0.81 1.07 0.00 -3.20 0.09 0.00 0.00 178.44 177.21 2kfp n ASN 97 N -4.18 0.00 -3.54 -0.43 5.15 -1.25 -4.80 115.26 106.20 2kfp n ASN 97 Ca 0.03 0.08 -0.28 0.00 -0.60 0.00 0.00 54.58 53.81 2kfp n ASN 97 Cb 0.34 -0.31 0.26 0.00 -0.53 0.00 0.00 39.78 39.55 2kfp n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kfp n GLY 98 N 0.25 -3.36 0.07 8.20 0.00 -0.64 -4.86 105.19 104.85 2kfp n GLY 98 Ca 0.08 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.76 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 -4.94 0.13 -2.14 1.61 -0.04 -1.26 -4.81 135.00 123.55 2kfp n PRO 99 Ca 0.10 0.27 -0.41 0.00 -0.04 0.00 0.00 63.50 63.42 2kfp n PRO 99 Cb 0.55 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 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 -3.87 4.42 0.00 1.53 0.05 -1.26 -5.02 118.68 114.52 2kfp s LEU 100 Ca 0.08 2.57 -0.04 0.00 0.05 0.00 0.00 54.13 56.78 2kfp s LEU 100 Cb 0.12 -3.63 0.15 0.00 -2.05 0.00 0.00 46.19 40.78 2kfp s LEU 100 CO 0.42 -0.55 0.98 0.61 -0.55 0.00 0.00 176.35 177.26 2kfp n GLY 101 N 1.69 0.06 0.28 -3.48 0.00 -1.26 -4.90 105.19 97.58 2kfp n GLY 101 Ca 0.04 -1.93 -0.02 0.00 0.00 0.00 0.00 46.02 44.10 2kfp n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfp h ALA 102 N -0.94 1.26 -0.84 4.61 0.00 -1.98 -2.68 119.26 118.70 2kfp h ALA 102 Ca -0.32 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.43 2kfp h ALA 102 Cb 1.09 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2kfp h ALA 102 CO 0.31 0.50 0.50 1.57 0.00 0.00 0.00 179.25 182.13 2kfp h LYS 103 N 0.60 0.87 -0.43 0.00 2.10 -1.99 0.15 116.57 117.87 2kfp h LYS 103 Ca 0.12 -0.05 -0.15 0.00 -2.00 0.00 0.00 60.65 58.57 2kfp h LYS 103 Cb 0.38 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 2kfp h LYS 103 CO 0.01 0.58 -0.31 1.49 -2.00 0.00 0.00 179.45 179.22 2kfp h GLU 104 N 0.90 0.97 -0.49 0.07 4.57 -1.86 -2.79 114.58 115.96 2kfp h GLU 104 Ca 0.38 -0.47 -0.05 0.00 -1.18 0.00 0.00 59.36 58.04 2kfp h GLU 104 Cb 0.23 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 2kfp h GLU 104 CO -0.19 1.14 0.11 0.82 -1.18 0.00 0.00 179.01 179.70 2kfp h ILE 105 N 0.81 1.24 -0.64 2.32 2.04 -1.06 -2.12 117.51 120.11 2kfp h ILE 105 Ca 0.08 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.14 2kfp h ILE 105 Cb 0.90 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 2kfp h ILE 105 CO 0.08 0.31 0.35 0.45 0.00 0.00 0.00 178.15 179.34 2kfp h HIS 106 N 0.67 0.65 -0.55 1.37 3.86 -0.64 0.18 115.15 120.68 2kfp h HIS 106 Ca 0.15 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2kfp h HIS 106 Cb 0.35 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2kfp h HIS 106 CO 0.02 0.31 0.25 1.03 0.86 0.00 0.00 177.93 180.40 2kfp h SER 107 N 0.66 0.73 -0.71 2.45 0.87 -1.27 -0.49 113.55 115.79 2kfp h SER 107 Ca 0.28 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2kfp h SER 107 Cb 0.17 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 2kfp h SER 107 CO -0.18 0.68 0.27 -0.07 -0.53 0.00 0.00 176.83 177.00 2kfp h LEU 108 N 0.74 1.00 -0.62 2.23 3.38 -0.64 -2.25 115.31 119.15 2kfp h LEU 108 Ca 0.19 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2kfp h LEU 108 Cb 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2kfp h LEU 108 CO -0.02 0.91 0.26 0.40 0.09 0.00 0.00 178.44 180.08 2kfp h ILE 109 N 1.03 1.23 -0.82 1.22 2.04 -0.28 -1.71 117.51 120.21 2kfp h ILE 109 Ca 0.24 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.48 2kfp h ILE 109 Cb 0.23 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 2kfp h ILE 109 CO -0.02 0.27 0.49 -0.08 0.00 0.00 0.00 178.15 178.82 2kfp h GLU 110 N 0.86 0.84 -0.62 2.37 4.57 -0.63 0.87 114.58 122.84 2kfp h GLU 110 Ca 0.21 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 2kfp h GLU 110 Cb 0.18 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 2kfp h GLU 110 CO -0.02 0.56 0.21 -0.44 -1.18 0.00 0.00 179.01 178.14 2kfp h ASP 111 N 0.86 0.85 -0.93 1.04 3.32 -0.85 -2.08 116.42 118.64 2kfp h ASP 111 Ca 0.38 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 2kfp h ASP 111 Cb 0.25 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 2kfp h ASP 111 CO -0.20 0.79 0.57 0.28 -1.72 0.00 0.00 179.24 178.96 2kfp h SER 112 N 0.90 1.11 -0.72 6.45 0.02 0.01 -2.27 113.55 119.05 2kfp h SER 112 Ca 0.21 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2kfp h SER 112 Cb 0.23 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 2kfp h SER 112 CO -0.01 0.84 0.47 0.15 -1.14 0.00 0.00 176.83 177.15 2kfp h PHE 113 N 1.28 0.90 -0.60 3.45 3.57 -0.53 -2.38 116.94 122.64 2kfp h PHE 113 Ca 0.33 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.96 2kfp h PHE 113 Cb -0.07 -0.30 -0.08 0.00 2.79 0.00 0.00 35.95 38.29 2kfp h PHE 113 CO 0.00 0.56 0.17 1.96 -2.23 0.00 0.00 178.31 178.77 2kfp h GLN 114 N 0.97 0.31 -0.63 1.11 1.08 -1.16 0.90 115.11 117.68 2kfp h GLN 114 Ca 0.27 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.35 2kfp h GLN 114 Cb -0.10 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 2kfp h GLN 114 CO -0.06 0.20 0.03 -0.07 -0.95 0.00 0.00 178.83 177.98 2kfp h LEU 115 N 0.31 1.06 -2.40 1.46 -0.00 -1.41 -2.45 115.31 111.88 2kfp h LEU 115 Ca 0.31 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2kfp h LEU 115 Cb 0.44 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 2kfp h LEU 115 CO -0.36 1.09 0.00 0.35 -0.00 0.00 0.00 178.44 179.52 2kfp n THR 116 N -4.19 1.38 -1.81 0.22 -2.24 -0.55 -4.96 114.28 102.13 2kfp n THR 116 Ca 0.03 -0.85 -0.40 0.00 -2.27 0.00 0.00 64.05 60.56 2kfp n THR 116 Cb 0.33 -0.03 0.02 0.00 -2.10 0.00 0.00 70.33 68.55 2kfp n THR 116 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2kfp s ARG 117 N -1.82 3.67 0.64 -0.78 3.52 0.30 -4.98 118.95 119.50 2kfp s ARG 117 Ca 0.37 2.39 -0.13 0.00 -0.13 0.00 0.00 55.73 58.23 2kfp s ARG 117 Cb 0.24 -2.64 -0.02 0.00 -1.56 0.00 0.00 34.95 30.97 2kfp s ARG 117 CO 0.17 -0.82 1.05 -0.51 -0.81 0.00 0.00 175.30 174.38 2kfp s LEU 118 N -2.75 3.30 -0.15 -0.88 1.43 -1.26 -4.65 118.68 113.71 2kfp s LEU 118 Ca 0.61 1.64 -0.10 0.00 -1.03 0.00 0.00 54.13 55.24 2kfp s LEU 118 Cb -0.43 -4.50 0.04 0.00 0.03 0.00 0.00 46.19 41.33 2kfp s LEU 118 CO 0.55 -1.19 0.21 -0.62 0.23 0.00 0.00 176.35 175.53 2kfp n GLU 119 N -2.61 -4.24 -3.14 1.70 1.02 -1.26 -4.94 120.64 107.16 2kfp n GLU 119 Ca 0.08 3.21 -0.39 0.00 -0.02 0.00 0.00 57.16 60.04 2kfp n GLU 119 Cb 0.53 -4.51 -0.06 0.00 -0.02 0.00 0.00 31.44 27.38 2kfp n GLU 119 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kfp s HIS 120 N -0.57 3.80 0.53 -0.32 5.65 -1.26 -5.04 115.29 118.07 2kfp s HIS 120 Ca -0.24 1.38 -0.20 0.00 0.25 0.00 0.00 55.06 56.25 2kfp s HIS 120 Cb 0.02 -2.64 -0.06 0.00 -1.18 0.00 0.00 32.58 28.72 2kfp s HIS 120 CO 0.65 0.47 1.12 -1.01 -0.65 0.00 0.00 174.74 175.33 2kfp s HIS 121 N -0.76 2.72 0.10 3.88 3.76 -1.26 -5.05 115.29 118.68 2kfp s HIS 121 Ca 0.32 1.55 -0.06 0.00 -0.15 0.00 0.00 55.06 56.72 2kfp s HIS 121 Cb -0.20 -3.27 -0.02 0.00 1.11 0.00 0.00 32.58 30.20 2kfp s HIS 121 CO 0.21 -1.49 0.14 -3.38 -0.85 0.00 0.00 174.74 169.37 2kfp s HIS 122 N -1.77 0.39 -0.76 1.40 -3.43 -1.26 -5.03 115.29 104.82 2kfp s HIS 122 Ca 0.71 -0.83 0.25 0.00 -0.80 0.00 0.00 55.06 54.40 2kfp s HIS 122 Cb -0.23 -0.20 0.42 0.00 -1.43 0.00 0.00 32.58 31.14 2kfp s HIS 122 CO 0.27 -0.54 1.37 0.72 -2.00 0.00 0.00 174.74 174.56 2kfp n HIS 123 N -0.06 0.36 -3.83 0.38 8.25 -1.26 -4.93 115.22 114.13 2kfp n HIS 123 Ca -0.12 0.11 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 2kfp n HIS 123 Cb 0.62 -0.53 -0.05 0.00 1.12 0.00 0.00 29.99 31.16 2kfp n HIS 123 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kfp s HIS 124 N -3.11 0.11 -1.33 4.41 0.00 -1.26 -5.38 115.29 108.73 2kfp s HIS 124 Ca 0.08 -0.46 0.00 0.00 -3.00 0.00 0.00 55.06 51.68 2kfp s HIS 124 Cb 0.15 0.18 0.00 0.00 -4.00 0.00 0.00 32.58 28.91 2kfp s HIS 124 CO 0.71 -0.81 0.33 0.72 -1.00 0.00 0.00 174.74 174.69