#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 5.38 0.18 6.12 3.84 -1.26 -4.67 114.94 124.54 2kfp s ASN 2 Ca 0.00 -0.42 -0.12 0.00 0.21 0.00 0.00 52.86 52.53 2kfp s ASN 2 Cb 0.00 -1.09 0.09 0.00 -0.55 0.00 0.00 41.25 39.70 2kfp s ASN 2 CO 0.00 -0.28 1.80 -0.09 -2.79 0.00 0.00 177.10 175.74 2kfp h ARG 3 N 1.29 0.86 -0.67 0.43 2.43 -1.98 -1.20 114.38 115.53 2kfp h ARG 3 Ca -0.46 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 58.56 2kfp h ARG 3 Cb 1.25 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 2kfp h ARG 3 CO 0.59 0.65 0.19 0.37 -1.51 0.00 0.00 179.97 180.25 2kfp h GLN 4 N 0.84 1.06 -0.54 0.20 5.75 -2.00 -1.92 115.11 118.50 2kfp h GLN 4 Ca 0.22 -0.24 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 2kfp h GLN 4 Cb 0.03 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 2kfp h GLN 4 CO -0.04 0.93 0.11 1.96 -2.65 0.00 0.00 178.83 179.14 2kfp h GLN 5 N 0.99 0.88 -0.46 1.69 1.08 -1.87 -1.66 115.11 115.76 2kfp h GLN 5 Ca 0.21 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2kfp h GLN 5 Cb 0.33 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 2kfp h GLN 5 CO -0.00 0.84 0.26 0.35 -0.95 0.00 0.00 178.83 179.33 2kfp h PHE 6 N 0.77 0.62 -0.46 2.96 3.57 -0.98 0.12 116.94 123.54 2kfp h PHE 6 Ca 0.17 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2kfp h PHE 6 Cb 0.37 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 2kfp h PHE 6 CO 0.03 0.46 0.22 0.82 -2.23 0.00 0.00 178.31 177.61 2kfp h ILE 7 N 0.60 1.18 -0.46 1.41 2.04 -1.16 0.16 117.51 121.28 2kfp h ILE 7 Ca 0.16 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 2kfp h ILE 7 Cb 0.04 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2kfp h ILE 7 CO -0.03 0.20 0.16 0.44 0.00 0.00 0.00 178.15 178.93 2kfp h ASP 8 N 0.60 0.65 -0.59 1.72 3.32 -0.98 -2.55 116.42 118.59 2kfp h ASP 8 Ca 0.16 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 2kfp h ASP 8 Cb 0.11 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2kfp h ASP 8 CO -0.02 0.66 0.18 0.22 -1.72 0.00 0.00 179.24 178.56 2kfp h TYR 9 N 0.60 0.96 0.26 4.55 3.20 -0.44 -1.53 116.97 124.56 2kfp h TYR 9 Ca 0.15 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2kfp h TYR 9 Cb 0.23 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2kfp h TYR 9 CO 0.01 0.80 -0.23 0.00 -1.64 0.00 0.00 178.16 177.10 2kfp h ALA 10 N 1.05 -0.50 -0.22 1.82 0.00 -0.46 -1.67 119.26 119.28 2kfp h ALA 10 Ca 0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2kfp h ALA 10 Cb 0.30 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kfp h ALA 10 CO -0.00 -0.81 -0.13 -0.56 0.00 0.00 0.00 179.25 177.75 2kfp h GLN 11 N -0.52 0.35 -0.33 0.00 3.07 -1.43 0.53 115.11 116.78 2kfp h GLN 11 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 58.65 58.64 2kfp h GLN 11 Cb 0.47 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.97 2kfp h GLN 11 CO -0.04 0.49 0.21 -0.22 0.09 0.00 0.00 178.83 179.36 2kfp h LYS 12 N 0.33 0.45 0.13 0.06 3.64 -0.75 0.93 116.57 121.36 2kfp h LYS 12 Ca 0.07 -0.04 -0.34 0.00 -1.27 0.00 0.00 60.65 59.07 2kfp h LYS 12 Cb 0.43 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2kfp h LYS 12 CO 0.02 0.32 -1.76 -0.22 -2.27 0.00 0.00 179.45 175.55 2kfp h LYS 13 N 0.44 0.27 -0.02 1.90 3.64 -1.04 -3.36 116.57 118.39 2kfp h LYS 13 Ca 0.12 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2kfp h LYS 13 Cb -0.01 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2kfp h LYS 13 CO -0.02 1.13 -0.05 0.66 -2.27 0.00 0.00 179.45 178.90 2kfp n TYR 14 N -3.45 0.00 -3.62 1.91 4.02 0.18 -4.93 117.16 111.27 2kfp n TYR 14 Ca -0.24 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.41 2kfp n TYR 14 Cb 1.06 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 40.32 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 0.55 -1.70 -4.38 7.72 5.68 0.32 -4.81 116.55 119.94 2kfp n ASP 15 Ca 0.16 -0.47 -0.31 0.00 -0.50 0.00 0.00 54.79 53.67 2kfp n ASP 15 Cb 0.46 -1.51 -0.14 0.00 -1.14 0.00 0.00 41.12 38.78 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 -2.72 2.36 0.16 2.12 -1.32 -1.25 -4.93 115.64 110.06 2kfp s THR 16 Ca 0.46 -1.27 -0.03 0.00 -1.21 0.00 0.00 61.69 59.64 2kfp s THR 16 Cb -0.27 -1.93 -0.05 0.00 -1.51 0.00 0.00 72.50 68.74 2kfp s THR 16 CO 0.57 0.39 0.37 -0.54 -2.21 0.00 0.00 174.62 173.21 2kfp s LYS 17 N -1.20 3.57 0.57 7.08 1.02 -1.26 -4.29 119.74 125.23 2kfp s LYS 17 Ca 0.12 -0.21 -0.19 0.00 0.02 0.00 0.00 55.97 55.71 2kfp s LYS 17 Cb -0.10 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 2kfp s LYS 17 CO 0.03 0.44 1.20 -1.25 -0.92 0.00 0.00 175.35 174.85 2kfp s PRO 18 N -2.92 3.12 -0.01 -1.68 0.04 -1.26 -4.71 135.00 127.57 2kfp s PRO 18 Ca 0.40 1.80 0.03 0.00 0.04 0.00 0.00 61.00 63.27 2kfp s PRO 18 Cb -0.12 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 2kfp s PRO 18 CO 0.27 -1.09 -0.09 0.34 0.04 0.00 0.00 177.00 176.47 2kfp s ASP 19 N -1.58 1.11 -0.48 6.66 -1.08 -0.87 -4.87 116.67 115.56 2kfp s ASP 19 Ca 0.75 -0.17 0.03 0.00 -0.52 0.00 0.00 52.55 52.64 2kfp s ASP 19 Cb -0.30 -0.19 0.15 0.00 -1.46 0.00 0.00 42.92 41.13 2kfp s ASP 19 CO 0.33 0.09 0.31 -1.38 0.52 0.00 0.00 175.17 175.04 2kfp s HIS 20 N -0.07 1.96 -0.97 -5.34 -3.43 -1.26 -0.49 115.29 105.70 2kfp s HIS 20 Ca 0.01 -2.51 0.28 0.00 -0.80 0.00 0.00 55.06 52.04 2kfp s HIS 20 Cb -0.05 -1.72 1.16 0.00 -1.43 0.00 0.00 32.58 30.53 2kfp s HIS 20 CO -0.00 -0.75 1.88 -0.35 -2.00 0.00 0.00 174.74 173.52 2kfp n PRO 21 N 3.11 0.03 -2.93 -0.38 -0.04 -1.26 -4.62 135.00 128.91 2kfp n PRO 21 Ca 0.16 0.04 -0.43 0.00 -0.04 0.00 0.00 63.50 63.23 2kfp n PRO 21 Cb 0.38 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.26 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 -3.01 2.80 0.27 0.54 0.51 -1.26 -4.88 118.94 113.91 2kfp s TRP 22 Ca 0.13 -0.41 0.03 0.00 -2.12 0.00 0.00 56.10 53.74 2kfp s TRP 22 Cb 0.18 -4.06 0.37 0.00 -0.81 0.00 0.00 33.47 29.15 2kfp s TRP 22 CO 0.52 -1.41 1.67 1.05 -0.51 0.00 0.00 176.95 178.26 2kfp h GLU 23 N 9.35 0.38 0.00 4.98 4.11 -2.01 -2.31 114.58 129.08 2kfp h GLU 23 Ca -0.28 -0.18 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2kfp h GLU 23 Cb 1.08 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2kfp h GLU 23 CO 1.11 0.71 0.00 1.63 0.07 0.00 0.00 179.01 182.52 2kfp n LYS 24 N -4.04 0.17 -3.10 1.06 5.02 -1.26 -4.03 118.16 111.98 2kfp n LYS 24 Ca -0.01 0.17 -0.11 0.00 -2.02 0.00 0.00 58.31 56.34 2kfp n LYS 24 Cb 0.48 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 2kfp n LYS 24 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2kfp s PHE 25 N -2.57 -0.79 -0.42 2.13 0.40 -0.87 -4.98 117.98 110.87 2kfp s PHE 25 Ca 0.11 -0.86 0.25 0.00 -0.60 0.00 0.00 56.93 55.84 2kfp s PHE 25 Cb 0.08 -0.09 1.01 0.00 0.51 0.00 0.00 43.02 44.53 2kfp s PHE 25 CO 0.19 -1.10 1.76 -1.00 0.70 0.00 0.00 175.22 175.76 2kfp h PRO 26 N 5.90 0.00 0.00 0.24 0.13 -1.70 -2.48 132.00 134.09 2kfp h PRO 26 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2kfp h PRO 26 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2kfp h PRO 26 CO 0.14 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.44 2kfp n ASP 27 N -2.39 0.00 -4.80 1.44 2.03 -1.26 -4.74 116.55 106.82 2kfp n ASP 27 Ca 0.02 -0.02 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 2kfp n ASP 27 Cb 0.27 -0.30 -0.06 0.00 -0.72 0.00 0.00 41.12 40.32 2kfp n ASP 27 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2kfp s TYR 28 N -2.59 3.79 -0.01 -0.67 1.51 -0.94 -4.73 117.35 113.70 2kfp s TYR 28 Ca 0.22 1.45 0.01 0.00 -1.01 0.00 0.00 57.07 57.73 2kfp s TYR 28 Cb 0.16 -2.64 0.01 0.00 -0.11 0.00 0.00 41.96 39.38 2kfp s TYR 28 CO 0.36 0.47 -0.03 0.00 -1.11 0.00 0.00 175.55 175.25 2kfp s ALA 29 N -1.28 0.35 -0.14 3.71 0.00 -1.06 -4.42 121.76 118.93 2kfp s ALA 29 Ca 0.37 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2kfp s ALA 29 Cb -0.20 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.74 2kfp s ALA 29 CO 0.22 0.03 -0.18 0.08 0.00 0.00 0.00 175.76 175.92 2kfp s VAL 30 N 0.34 2.48 -0.21 0.00 1.01 0.36 -2.24 120.40 122.15 2kfp s VAL 30 Ca -0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 2kfp s VAL 30 Cb -0.06 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2kfp s VAL 30 CO -0.01 0.53 -0.02 -0.36 0.00 0.00 0.00 175.10 175.24 2kfp s PHE 31 N 0.74 2.99 0.08 5.22 0.08 -1.07 -2.05 117.98 123.98 2kfp s PHE 31 Ca -0.07 -0.68 0.03 0.00 0.12 0.00 0.00 56.93 56.33 2kfp s PHE 31 Cb -0.16 -2.09 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 2kfp s PHE 31 CO 0.01 -0.38 -0.09 1.03 -0.10 0.00 0.00 175.22 175.69 2kfp s ARG 32 N 1.21 0.77 -0.38 0.44 0.52 -1.26 -3.91 118.95 116.35 2kfp s ARG 32 Ca 0.03 -1.11 -0.25 0.00 -0.52 0.00 0.00 55.73 53.88 2kfp s ARG 32 Cb -0.14 -0.41 0.01 0.00 0.52 0.00 0.00 34.95 34.93 2kfp s ARG 32 CO 0.00 0.05 0.87 -1.58 0.02 0.00 0.00 175.30 174.67 2kfp s HIS 33 N -2.48 3.07 0.39 -0.53 2.46 -1.26 -4.76 115.29 112.18 2kfp s HIS 33 Ca 0.04 0.64 0.30 0.00 0.47 0.00 0.00 55.06 56.51 2kfp s HIS 33 Cb -0.03 -3.59 1.54 0.00 -0.13 0.00 0.00 32.58 30.37 2kfp s HIS 33 CO -0.01 -0.82 2.09 1.03 -2.47 0.00 0.00 174.74 174.55 2kfp h SER 34 N 8.55 0.00 -0.42 9.88 0.87 -1.91 2.22 113.55 132.74 2kfp h SER 34 Ca -0.24 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 2kfp h SER 34 Cb 1.08 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 2kfp h SER 34 CO 0.96 0.09 0.14 0.44 -0.53 0.00 0.00 176.83 177.93 2kfp h ASP 35 N 0.00 0.60 0.00 6.23 3.32 -1.95 -3.37 116.42 121.25 2kfp h ASP 35 Ca -0.00 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2kfp h ASP 35 Cb 0.34 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2kfp h ASP 35 CO 0.01 0.63 -0.88 0.59 -1.72 0.00 0.00 179.24 177.88 2kfp n ASN 36 N -4.59 4.38 0.00 6.45 3.02 -1.09 -5.07 115.26 118.36 2kfp n ASN 36 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2kfp n ASN 36 Cb 0.17 0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 2kfp n ASN 36 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kfp n ASP 37 N -1.65 -2.53 -1.97 6.41 8.00 0.75 -4.85 116.55 120.71 2kfp n ASP 37 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 2kfp n ASP 37 Cb 0.29 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.34 2kfp n ASP 37 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2kfp n LYS 38 N 0.00 -1.56 -4.26 -1.24 5.02 -1.26 -4.79 118.16 110.07 2kfp n LYS 38 Ca 0.00 1.14 -0.30 0.00 -2.02 0.00 0.00 58.31 57.12 2kfp n LYS 38 Cb 0.00 -5.65 -0.10 0.00 -0.02 0.00 0.00 35.03 29.26 2kfp n LYS 38 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2kfp s TRP 39 N -2.89 2.78 -0.12 2.13 0.52 -1.26 -5.10 118.94 115.00 2kfp s TRP 39 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 56.10 55.99 2kfp s TRP 39 Cb 0.00 -1.47 -0.02 0.00 -1.15 0.00 0.00 33.47 30.83 2kfp s TRP 39 CO 0.00 0.42 -0.13 0.71 0.02 0.00 0.00 176.95 177.97 2kfp s TYR 40 N -1.19 2.81 -0.26 -1.98 2.02 -1.26 -4.78 117.35 112.71 2kfp s TYR 40 Ca 0.21 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 56.36 2kfp s TYR 40 Cb -0.11 -1.82 0.14 0.00 -0.40 0.00 0.00 41.96 39.77 2kfp s TYR 40 CO 0.13 -0.14 0.38 0.00 -1.57 0.00 0.00 175.55 174.36 2kfp s ALA 41 N 0.18 -1.07 -0.15 3.71 0.00 -1.25 -4.83 121.76 118.35 2kfp s ALA 41 Ca -0.07 0.55 -0.04 0.00 0.00 0.00 0.00 51.96 52.40 2kfp s ALA 41 Cb -0.15 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 2kfp s ALA 41 CO 0.05 -1.47 -0.01 -0.51 0.00 0.00 0.00 175.76 173.81 2kfp s LEU 42 N 2.53 3.42 -0.13 0.00 2.01 -1.26 -2.58 118.68 122.67 2kfp s LEU 42 Ca 0.11 -0.03 0.00 0.00 0.01 0.00 0.00 54.13 54.22 2kfp s LEU 42 Cb -0.14 -1.82 0.02 0.00 0.01 0.00 0.00 46.19 44.26 2kfp s LEU 42 CO -0.22 0.21 -0.11 -0.22 1.01 0.00 0.00 176.35 177.01 2kfp s LEU 43 N 0.12 1.47 0.20 1.79 0.20 -0.95 -1.41 118.68 120.10 2kfp s LEU 43 Ca 0.01 -0.40 -0.22 0.00 0.69 0.00 0.00 54.13 54.20 2kfp s LEU 43 Cb -0.13 -1.02 0.05 0.00 -0.43 0.00 0.00 46.19 44.65 2kfp s LEU 43 CO 0.02 -0.08 0.67 0.00 -0.29 0.00 0.00 176.35 176.67 2kfp s MET 44 N 1.56 1.46 -0.29 1.98 0.23 -1.14 -2.55 119.30 120.55 2kfp s MET 44 Ca 0.04 -0.67 -0.13 0.00 -1.03 0.00 0.00 55.69 53.90 2kfp s MET 44 Cb -0.13 0.59 -0.04 0.00 -1.53 0.00 0.00 34.83 33.72 2kfp s MET 44 CO -0.09 -0.66 0.27 -0.51 -2.03 0.00 0.00 175.02 172.01 2kfp s ASP 45 N -2.81 6.11 0.07 -1.18 1.01 -1.26 -2.42 116.67 116.18 2kfp s ASP 45 Ca 0.05 -0.01 0.09 0.00 0.71 0.00 0.00 52.55 53.40 2kfp s ASP 45 Cb -0.03 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.71 2kfp s ASP 45 CO -0.05 -0.15 -0.26 0.27 0.21 0.00 0.00 175.17 175.20 2kfp s ILE 46 N 1.88 2.10 0.43 0.77 -4.36 -0.82 -4.91 121.20 116.28 2kfp s ILE 46 Ca 0.10 -1.46 -0.26 0.00 -0.26 0.00 0.00 60.65 58.76 2kfp s ILE 46 Cb -0.16 -1.82 -0.09 0.00 1.25 0.00 0.00 42.46 41.64 2kfp s ILE 46 CO 0.11 0.27 1.46 -2.16 0.24 0.00 0.00 174.94 174.85 2kfp s PRO 47 N -1.45 3.83 0.62 0.37 0.04 -1.26 -2.59 135.00 134.55 2kfp s PRO 47 Ca 0.12 2.50 0.39 0.00 0.04 0.00 0.00 61.00 64.05 2kfp s PRO 47 Cb -0.10 -2.77 2.03 0.00 0.04 0.00 0.00 34.50 33.71 2kfp s PRO 47 CO 0.03 -0.73 2.24 0.00 0.04 0.00 0.00 177.00 178.58 2kfp h ALA 48 N 2.56 1.05 -0.86 8.56 0.00 -0.41 -2.57 119.26 127.59 2kfp h ALA 48 Ca -0.51 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.55 2kfp h ALA 48 Cb 1.26 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2kfp h ALA 48 CO 0.62 0.01 0.56 0.93 0.00 0.00 0.00 179.25 181.38 2kfp h GLU 49 N 0.00 0.55 -0.74 0.00 5.08 -1.80 0.19 114.58 117.86 2kfp h GLU 49 Ca -0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2kfp h GLU 49 Cb 0.17 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2kfp h GLU 49 CO 0.00 0.36 0.29 0.87 -1.00 0.00 0.00 179.01 179.54 2kfp h LYS 50 N 0.56 1.09 -0.02 2.33 1.57 -1.84 -2.18 116.57 118.09 2kfp h LYS 50 Ca 0.43 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2kfp h LYS 50 Cb 0.84 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2kfp h LYS 50 CO -0.18 0.89 -0.06 0.44 -0.57 0.00 0.00 179.45 179.97 2kfp n ILE 51 N -4.29 0.00 -2.83 1.86 -5.35 -0.18 -4.94 119.36 103.63 2kfp n ILE 51 Ca 0.07 -0.29 -0.14 0.00 -0.27 0.00 0.00 62.75 62.12 2kfp n ILE 51 Cb 0.18 0.76 0.03 0.00 -1.74 0.00 0.00 39.64 38.87 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 1.25 -0.01 3.67 3.28 0.00 0.50 -5.01 105.19 108.86 2kfp n GLY 52 Ca 0.16 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.99 4.69 0.00 -0.61 1.01 -0.92 -4.86 121.20 117.52 2kfp s ILE 53 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.80 2kfp s ILE 53 Cb -0.10 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2kfp s ILE 53 CO 0.28 0.52 0.00 -3.20 0.00 0.00 0.00 174.94 172.54 2kfp n ASN 54 N 3.00 0.00 0.00 3.58 2.85 -1.26 -4.47 115.26 118.95 2kfp n ASN 54 Ca -0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 2kfp n ASN 54 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.55 2kfp n ASN 54 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kfp n GLY 55 N 0.00 3.16 3.38 8.20 0.00 -1.26 -4.99 105.19 113.67 2kfp n GLY 55 Ca 0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 -6.05 -4.26 1.61 8.00 -1.26 -4.96 116.55 109.63 2kfp n ASP 56 Ca 0.00 -0.47 -0.35 0.00 0.71 0.00 0.00 54.79 54.68 2kfp n ASP 56 Cb 0.00 -4.70 -0.14 0.00 -0.02 0.00 0.00 41.12 36.26 2kfp n ASP 56 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2kfp s LYS 57 N -6.14 3.19 0.15 -1.24 2.20 -1.26 -4.90 119.74 111.74 2kfp s LYS 57 Ca 0.51 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 55.08 2kfp s LYS 57 Cb -0.23 -2.97 -0.08 0.00 -1.51 0.00 0.00 37.83 33.05 2kfp s LYS 57 CO 0.63 -0.26 1.23 0.50 -0.36 0.00 0.00 175.35 177.09 2kfp s ARG 58 N 1.42 4.45 0.11 4.03 3.52 -1.26 0.35 118.95 131.57 2kfp s ARG 58 Ca 0.04 1.89 0.01 0.00 -0.13 0.00 0.00 55.73 57.54 2kfp s ARG 58 Cb -0.15 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 2kfp s ARG 58 CO -0.04 -0.18 -0.03 0.14 -0.81 0.00 0.00 175.30 174.38 2kfp s VAL 59 N 0.33 0.50 -0.13 7.11 -7.23 -1.07 -4.88 120.40 115.04 2kfp s VAL 59 Ca 0.56 -1.91 -0.08 0.00 -1.81 0.00 0.00 61.98 58.73 2kfp s VAL 59 Cb -0.33 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2kfp s VAL 59 CO 0.34 -0.76 0.16 -1.81 -0.31 0.00 0.00 175.10 172.72 2kfp s ASP 60 N -3.04 6.39 0.08 4.85 1.01 -1.26 -1.94 116.67 122.75 2kfp s ASP 60 Ca 0.15 0.47 0.02 0.00 0.71 0.00 0.00 52.55 53.90 2kfp s ASP 60 Cb 0.06 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.87 2kfp s ASP 60 CO -0.03 0.36 -0.07 0.68 0.21 0.00 0.00 175.17 176.31 2kfp s VAL 61 N -0.76 0.66 0.11 -1.27 -7.23 -1.02 -1.87 120.40 109.01 2kfp s VAL 61 Ca 0.14 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 58.70 2kfp s VAL 61 Cb -0.12 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 2kfp s VAL 61 CO 0.04 -0.70 -0.09 0.27 -0.31 0.00 0.00 175.10 174.31 2kfp s ILE 62 N -2.86 0.90 -0.22 -0.62 -4.36 -1.10 -2.88 121.20 110.06 2kfp s ILE 62 Ca 0.05 -1.83 -0.20 0.00 -0.26 0.00 0.00 60.65 58.41 2kfp s ILE 62 Cb 0.00 -1.57 -0.03 0.00 1.25 0.00 0.00 42.46 42.12 2kfp s ILE 62 CO -0.03 -0.71 0.58 -0.62 0.24 0.00 0.00 174.94 174.40 2kfp s ASP 63 N -2.81 6.58 -0.20 4.36 -1.08 -0.50 -2.53 116.67 120.49 2kfp s ASP 63 Ca 0.10 0.71 -0.01 0.00 -0.52 0.00 0.00 52.55 52.82 2kfp s ASP 63 Cb 0.01 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 2kfp s ASP 63 CO -0.01 -0.28 -0.12 -0.22 0.52 0.00 0.00 175.17 175.05 2kfp s LEU 64 N 2.08 2.52 0.07 -1.34 1.98 -0.86 -4.58 118.68 118.56 2kfp s LEU 64 Ca 0.26 -0.51 -0.25 0.00 -2.89 0.00 0.00 54.13 50.73 2kfp s LEU 64 Cb -0.16 -1.61 -0.06 0.00 0.66 0.00 0.00 46.19 45.03 2kfp s LEU 64 CO 0.09 -0.00 0.78 -0.75 -1.89 0.00 0.00 176.35 174.59 2kfp s LYS 65 N 1.34 4.52 0.21 1.98 2.20 -1.26 -1.78 119.74 126.95 2kfp s LYS 65 Ca 0.05 1.11 -0.04 0.00 -0.36 0.00 0.00 55.97 56.73 2kfp s LYS 65 Cb -0.14 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 2kfp s LYS 65 CO -0.07 0.33 0.22 0.14 -0.36 0.00 0.00 175.35 175.61 2kfp s VAL 66 N -0.25 0.01 0.52 4.02 -7.23 -1.00 -4.34 120.40 112.13 2kfp s VAL 66 Ca 0.39 -1.82 -0.17 0.00 -1.81 0.00 0.00 61.98 58.56 2kfp s VAL 66 Cb -0.21 -2.38 -0.07 0.00 0.56 0.00 0.00 36.38 34.27 2kfp s VAL 66 CO 0.24 -0.03 1.00 -1.10 -0.31 0.00 0.00 175.10 174.91 2kfp s GLN 67 N -4.11 3.81 0.58 4.82 -0.21 -1.26 -4.63 119.66 118.66 2kfp s GLN 67 Ca 0.33 1.07 0.38 0.00 0.02 0.00 0.00 55.36 57.17 2kfp s GLN 67 Cb 0.05 -2.11 1.92 0.00 1.00 0.00 0.00 33.01 33.87 2kfp s GLN 67 CO 0.10 -0.39 2.16 -1.00 -2.12 0.00 0.00 175.29 174.04 2kfp h PRO 68 N 0.97 0.00 0.00 2.91 0.13 -1.96 -1.82 132.00 132.23 2kfp h PRO 68 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 2kfp h PRO 68 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2kfp h PRO 68 CO 0.60 0.00 -1.63 0.39 -0.23 0.00 0.00 178.00 177.13 2kfp n GLU 69 N -2.97 0.63 -0.21 0.86 1.02 -1.26 -3.89 120.64 114.83 2kfp n GLU 69 Ca -0.01 0.22 0.10 0.00 -0.02 0.00 0.00 57.16 57.44 2kfp n GLU 69 Cb 0.15 -1.77 0.26 0.00 -0.02 0.00 0.00 31.44 30.06 2kfp n GLU 69 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2kfp n LEU 70 N -2.91 2.67 -0.16 -4.62 4.77 -0.78 -4.22 117.00 111.74 2kfp n LEU 70 Ca -0.14 -1.25 -0.03 0.00 -0.03 0.00 0.00 56.01 54.55 2kfp n LEU 70 Cb 0.94 -0.27 0.18 0.00 -2.33 0.00 0.00 43.42 41.94 2kfp n LEU 70 CO 0.44 0.63 1.02 1.62 -1.33 0.00 0.00 177.39 179.76 2kfp h VAL 71 N 3.16 1.23 0.00 4.08 3.04 -1.47 -2.12 116.25 124.17 2kfp h VAL 71 Ca 0.00 -0.77 0.00 0.00 -1.01 0.00 0.00 66.70 64.92 2kfp h VAL 71 Cb 0.71 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2kfp h VAL 71 CO 0.00 0.30 0.00 1.23 -1.01 0.00 0.00 177.57 178.09 2kfp h GLY 72 N 1.00 0.00 0.42 3.17 0.00 -1.85 -2.77 103.07 103.04 2kfp h GLY 72 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 2kfp h GLY 72 CO -0.01 0.00 -0.20 1.76 0.00 0.00 0.00 176.54 178.09 2kfp h SER 73 N 0.00 -0.48 0.20 0.19 0.02 -1.64 -2.70 113.55 109.13 2kfp h SER 73 Ca 0.00 0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.73 2kfp h SER 73 Cb 0.69 0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.36 2kfp h SER 73 CO 0.00 -0.08 -0.94 0.17 -1.14 0.00 0.00 176.83 174.84 2kfp h LEU 74 N -1.09 0.67 -1.64 5.07 -0.00 -1.68 -3.19 115.31 113.44 2kfp h LEU 74 Ca -0.06 -0.52 -0.00 0.00 -0.00 0.00 0.00 57.88 57.30 2kfp h LEU 74 Cb 0.43 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 2kfp h LEU 74 CO 0.09 1.31 0.16 -0.09 -0.00 0.00 0.00 178.44 179.92 2kfp h ARG 75 N 0.31 0.40 -0.15 0.17 2.43 -1.63 -0.96 114.38 114.95 2kfp h ARG 75 Ca -0.09 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.96 2kfp h ARG 75 Cb 1.57 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.03 2kfp h ARG 75 CO 0.17 0.30 -0.33 -0.22 -1.51 0.00 0.00 179.97 178.38 2kfp h LYS 76 N 0.41 0.29 -6.26 0.20 3.11 -1.47 -3.42 116.57 109.43 2kfp h LYS 76 Ca 0.11 -0.12 -0.55 0.00 -2.81 0.00 0.00 60.65 57.28 2kfp h LYS 76 Cb 0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 2kfp h LYS 76 CO -0.02 0.59 1.05 0.15 -2.81 0.00 0.00 179.45 178.41 2kfp s LYS 77 N -4.32 4.19 0.51 1.90 -0.14 -0.37 -4.95 119.74 116.56 2kfp s LYS 77 Ca -0.05 2.12 -0.21 0.00 -1.36 0.00 0.00 55.97 56.47 2kfp s LYS 77 Cb 0.14 -3.93 -0.09 0.00 -1.68 0.00 0.00 37.83 32.27 2kfp s LYS 77 CO 0.77 -0.81 0.77 -2.30 -0.76 0.00 0.00 175.35 173.02 2kfp n PRO 78 N 6.95 0.86 0.00 -1.68 -0.02 -1.26 -3.01 135.00 136.83 2kfp n PRO 78 Ca 0.17 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2kfp n PRO 78 Cb 0.43 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.49 3.06 3.46 -1.23 0.00 -1.26 -4.72 105.19 106.00 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 -2.76 4.37 0.10 -0.61 1.01 -1.16 -2.49 121.20 119.65 2kfp s ILE 80 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.54 2kfp s ILE 80 Cb 0.00 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 2kfp s ILE 80 CO 0.00 0.35 0.05 -0.31 0.00 0.00 0.00 174.94 175.03 2kfp s TYR 81 N 1.51 3.09 0.76 3.97 1.51 -0.50 -4.84 117.35 122.85 2kfp s TYR 81 Ca 0.06 0.01 -0.11 0.00 -1.01 0.00 0.00 57.07 56.02 2kfp s TYR 81 Cb -0.15 -1.56 0.05 0.00 -0.11 0.00 0.00 41.96 40.19 2kfp s TYR 81 CO 0.04 0.50 1.10 -1.25 -1.11 0.00 0.00 175.55 174.83 2kfp s PRO 82 N -2.46 2.30 0.42 -1.71 0.04 -1.26 -1.77 135.00 130.56 2kfp s PRO 82 Ca 0.28 1.22 -0.26 0.00 0.04 0.00 0.00 61.00 62.28 2kfp s PRO 82 Cb -0.12 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 2kfp s PRO 82 CO 0.20 -1.62 1.38 0.00 0.04 0.00 0.00 177.00 177.00 2kfp s ALA 83 N -2.80 3.29 -1.71 8.56 0.00 -1.26 -4.47 121.76 123.37 2kfp s ALA 83 Ca 0.62 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.95 2kfp s ALA 83 Cb -0.18 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2kfp s ALA 83 CO 0.54 -1.00 0.82 2.48 0.00 0.00 0.00 175.76 178.60 2kfp n TYR 84 N 0.04 0.00 -2.32 0.00 0.18 -1.26 -4.84 117.16 108.96 2kfp n TYR 84 Ca 0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.82 2kfp n TYR 84 Cb 0.42 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.35 2kfp n TYR 84 CO 0.00 0.00 0.00 -2.39 -2.08 0.00 0.00 176.86 172.39 2kfp n HIS 85 N -0.35 -0.12 -0.22 -3.48 1.44 -1.26 -5.16 115.22 106.07 2kfp n HIS 85 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 2kfp n HIS 85 Cb 0.07 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.28 2kfp n HIS 85 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2kfp n MET 86 N 0.00 -1.55 -2.80 -1.40 2.81 -1.26 -3.91 117.12 109.00 2kfp n MET 86 Ca 0.00 -0.50 -0.22 0.00 -1.81 0.00 0.00 57.70 55.18 2kfp n MET 86 Cb 0.00 -0.84 0.02 0.00 -0.71 0.00 0.00 33.22 31.69 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 -2.32 -5.88 -0.22 7.83 4.13 -1.26 -4.86 115.26 112.68 2kfp n ASN 87 Ca 0.05 -0.18 -0.06 0.00 1.68 0.00 0.00 54.58 56.06 2kfp n ASN 87 Cb 0.20 -4.81 0.08 0.00 -1.54 0.00 0.00 39.78 33.71 2kfp n ASN 87 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2kfp h LYS 88 N -0.84 1.06 0.00 3.52 3.64 -1.74 0.51 116.57 122.72 2kfp h LYS 88 Ca -0.51 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 58.61 2kfp h LYS 88 Cb 1.36 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2kfp h LYS 88 CO 0.57 0.95 -0.79 0.93 -2.27 0.00 0.00 179.45 178.84 2kfp h GLU 89 N 1.00 0.00 0.00 1.90 5.08 -1.94 -3.39 114.58 117.23 2kfp h GLU 89 Ca 0.21 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.34 2kfp h GLU 89 Cb 0.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2kfp h GLU 89 CO 0.01 0.00 -1.48 0.72 -1.00 0.00 0.00 179.01 177.26 2kfp n HIS 90 N -2.35 0.55 -4.58 4.33 8.25 -1.05 -4.07 115.22 116.30 2kfp n HIS 90 Ca 0.02 0.24 -0.33 0.00 -0.26 0.00 0.00 57.72 57.38 2kfp n HIS 90 Cb 0.48 -0.92 -0.13 0.00 1.12 0.00 0.00 29.99 30.54 2kfp n HIS 90 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kfp s TRP 91 N -2.46 2.93 -0.01 4.41 0.51 0.18 -2.38 118.94 122.11 2kfp s TRP 91 Ca -0.29 -0.39 0.07 0.00 -2.12 0.00 0.00 56.10 53.37 2kfp s TRP 91 Cb 0.08 -1.88 -0.02 0.00 -0.81 0.00 0.00 33.47 30.83 2kfp s TRP 91 CO 0.47 -0.05 -0.22 0.42 -0.51 0.00 0.00 176.95 177.05 2kfp s ILE 92 N 0.20 2.42 -0.08 2.03 -1.09 -0.73 -4.28 121.20 119.67 2kfp s ILE 92 Ca -0.05 -1.05 -0.23 0.00 -2.23 0.00 0.00 60.65 57.09 2kfp s ILE 92 Cb -0.14 -1.90 -0.04 0.00 -1.58 0.00 0.00 42.46 38.80 2kfp s ILE 92 CO 0.04 0.53 0.70 -0.89 -1.23 0.00 0.00 174.94 174.08 2kfp s THR 93 N -0.70 5.04 -0.10 2.92 2.01 -0.73 -2.03 115.64 122.05 2kfp s THR 93 Ca 0.11 1.43 0.01 0.00 0.31 0.00 0.00 61.69 63.55 2kfp s THR 93 Cb -0.10 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 2kfp s THR 93 CO 0.00 0.24 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.35 2kfp s VAL 94 N 0.89 3.04 -0.47 3.82 1.01 -1.05 -1.42 120.40 126.23 2kfp s VAL 94 Ca 0.37 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 2kfp s VAL 94 Cb -0.17 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 33.99 2kfp s VAL 94 CO 0.17 0.55 0.70 -0.22 0.00 0.00 0.00 175.10 176.30 2kfp s LEU 95 N 0.00 4.51 0.20 3.92 2.96 -1.04 -2.69 118.68 126.54 2kfp s LEU 95 Ca -0.04 -0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 53.37 2kfp s LEU 95 Cb -0.14 -2.72 0.14 0.00 0.50 0.00 0.00 46.19 43.96 2kfp s LEU 95 CO 0.04 -0.88 1.69 -0.07 -1.32 0.00 0.00 176.35 175.81 2kfp h LEU 96 N 9.94 1.02 0.00 -0.68 3.38 -1.70 -1.04 115.31 126.24 2kfp h LEU 96 Ca -0.26 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2kfp h LEU 96 Cb 1.09 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2kfp h LEU 96 CO 0.94 1.03 0.00 0.59 0.09 0.00 0.00 178.44 181.10 2kfp n ASN 97 N -4.20 0.00 -3.20 -0.43 5.03 -1.26 -4.44 115.26 106.76 2kfp n ASN 97 Ca 0.04 -1.25 -0.20 0.00 0.87 0.00 0.00 54.58 54.05 2kfp n ASN 97 Cb 0.30 0.00 0.16 0.00 -1.02 0.00 0.00 39.78 39.23 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 0.44 -2.58 0.00 7.41 0.00 -0.40 -4.91 105.19 105.15 2kfp n GLY 98 Ca 0.09 -1.49 0.14 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.64 0.33 -2.37 1.61 -0.04 -1.26 -4.86 135.00 124.77 2kfp n PRO 99 Ca 0.10 0.01 -0.37 0.00 -0.04 0.00 0.00 63.50 63.20 2kfp n PRO 99 Cb 0.39 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.66 4.09 0.57 1.53 0.05 -1.26 -5.04 118.68 115.96 2kfp s LEU 100 Ca 0.25 2.22 0.03 0.00 0.05 0.00 0.00 54.13 56.68 2kfp s LEU 100 Cb 0.19 -4.18 0.06 0.00 -2.05 0.00 0.00 46.19 40.21 2kfp s LEU 100 CO 0.46 -0.72 0.79 -0.83 -0.55 0.00 0.00 176.35 175.50 2kfp s GLY 101 N -1.39 1.82 0.48 -3.48 0.00 -1.26 -4.47 107.32 99.02 2kfp s GLY 101 Ca 0.60 -1.60 0.17 0.00 0.00 0.00 0.00 44.72 43.90 2kfp s GLY 101 CO 0.33 -1.24 2.06 0.00 0.00 0.00 0.00 173.10 174.25 2kfp h ALA 102 N 0.05 1.72 -0.76 3.20 0.00 -1.96 -2.02 119.26 119.49 2kfp h ALA 102 Ca -0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2kfp h ALA 102 Cb 1.29 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2kfp h ALA 102 CO 0.46 0.15 0.38 0.87 0.00 0.00 0.00 179.25 181.11 2kfp h LYS 103 N 0.00 1.08 -0.54 0.00 1.57 -1.99 0.14 116.57 116.82 2kfp h LYS 103 Ca -0.00 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.55 2kfp h LYS 103 Cb 0.22 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2kfp h LYS 103 CO 0.02 0.83 0.05 0.93 -0.57 0.00 0.00 179.45 180.70 2kfp h GLU 104 N 1.06 0.93 -0.48 3.15 3.07 -1.75 -2.60 114.58 117.96 2kfp h GLU 104 Ca 0.26 -0.27 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 2kfp h GLU 104 Cb 0.10 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2kfp h GLU 104 CO -0.04 0.92 0.13 0.82 -1.40 0.00 0.00 179.01 179.44 2kfp h ILE 105 N 0.81 1.23 -0.54 3.13 2.04 -1.23 -2.31 117.51 120.64 2kfp h ILE 105 Ca 0.16 -0.81 0.06 0.00 1.00 0.00 0.00 64.86 65.28 2kfp h ILE 105 Cb 0.47 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 2kfp h ILE 105 CO 0.02 0.29 0.25 0.45 0.00 0.00 0.00 178.15 179.15 2kfp h HIS 106 N 0.65 0.44 -0.51 1.37 3.86 -0.80 0.60 115.15 120.77 2kfp h HIS 106 Ca 0.15 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2kfp h HIS 106 Cb 0.31 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 2kfp h HIS 106 CO 0.02 0.18 0.26 1.03 0.86 0.00 0.00 177.93 180.28 2kfp h SER 107 N 0.47 0.65 -0.72 2.45 0.87 -1.26 -1.77 113.55 114.24 2kfp h SER 107 Ca 0.25 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 2kfp h SER 107 Cb 0.22 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 2kfp h SER 107 CO -0.21 0.57 0.31 -0.07 -0.53 0.00 0.00 176.83 176.90 2kfp h LEU 108 N 0.68 0.97 -0.57 2.23 3.38 -0.79 -2.68 115.31 118.53 2kfp h LEU 108 Ca 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2kfp h LEU 108 Cb 0.08 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2kfp h LEU 108 CO -0.03 0.86 0.25 0.40 0.09 0.00 0.00 178.44 180.02 2kfp h ILE 109 N 1.02 1.21 -0.70 1.22 2.04 -0.57 -2.30 117.51 119.43 2kfp h ILE 109 Ca 0.24 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.53 2kfp h ILE 109 Cb 0.17 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 2kfp h ILE 109 CO -0.02 0.25 0.39 -0.08 0.00 0.00 0.00 178.15 178.69 2kfp h GLU 110 N 0.78 0.68 -0.53 2.37 4.22 -1.04 0.41 114.58 121.47 2kfp h GLU 110 Ca 0.19 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.60 2kfp h GLU 110 Cb 0.16 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2kfp h GLU 110 CO -0.02 0.45 0.35 0.22 -2.18 0.00 0.00 179.01 177.83 2kfp h ASP 111 N 0.70 0.61 0.67 1.04 3.58 -1.14 -1.54 116.42 120.34 2kfp h ASP 111 Ca 0.32 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.68 2kfp h ASP 111 Cb 0.23 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2kfp h ASP 111 CO -0.20 0.44 -0.37 0.77 -2.88 0.00 0.00 179.24 177.00 2kfp h SER 112 N 0.72 0.00 -0.54 2.28 4.64 -0.72 -3.07 113.55 116.86 2kfp h SER 112 Ca 0.19 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.53 2kfp h SER 112 Cb -0.08 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 2kfp h SER 112 CO -0.04 0.37 0.34 0.15 -0.87 0.00 0.00 176.83 176.78 2kfp h PHE 113 N 0.00 0.63 -0.70 4.77 3.57 0.82 -0.94 116.94 125.09 2kfp h PHE 113 Ca -0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.55 2kfp h PHE 113 Cb 0.81 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 2kfp h PHE 113 CO 0.00 0.37 0.44 1.96 -2.23 0.00 0.00 178.31 178.85 2kfp h GLN 114 N 0.67 0.82 -0.77 1.11 4.20 -1.41 0.47 115.11 120.21 2kfp h GLN 114 Ca 0.21 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 2kfp h GLN 114 Cb -0.01 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 2kfp h GLN 114 CO -0.08 0.54 0.29 -0.07 -0.67 0.00 0.00 178.83 178.84 2kfp h LEU 115 N 0.85 1.06 -1.05 1.46 4.07 -1.46 -1.75 115.31 118.50 2kfp h LEU 115 Ca 0.28 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2kfp h LEU 115 Cb 0.04 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.50 2kfp h LEU 115 CO -0.12 0.95 0.00 0.35 -1.08 0.00 0.00 178.44 178.55 2kfp n THR 116 N -4.27 0.22 -2.48 0.22 -2.24 -0.42 -4.89 114.28 100.42 2kfp n THR 116 Ca 0.07 -0.34 -0.37 0.00 -2.27 0.00 0.00 64.05 61.14 2kfp n THR 116 Cb 0.19 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.78 4.11 0.25 -0.78 3.52 0.16 -4.91 118.95 119.52 2kfp s ARG 117 Ca 0.31 1.58 -0.30 0.00 -0.13 0.00 0.00 55.73 57.19 2kfp s ARG 117 Cb 0.16 -2.55 -0.10 0.00 -1.56 0.00 0.00 34.95 30.91 2kfp s ARG 117 CO 0.25 -0.21 1.36 -1.17 -0.81 0.00 0.00 175.30 174.73 2kfp s LEU 118 N -2.66 4.41 -0.44 -0.88 2.96 -1.26 -4.93 118.68 115.87 2kfp s LEU 118 Ca 0.58 2.59 -0.29 0.00 -0.22 0.00 0.00 54.13 56.79 2kfp s LEU 118 Cb -0.24 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 42.85 2kfp s LEU 118 CO 0.30 -0.60 1.26 -1.83 -1.32 0.00 0.00 176.35 174.15 2kfp s GLU 119 N -0.64 3.67 -0.01 1.98 -1.05 -1.26 -4.84 118.70 116.55 2kfp s GLU 119 Ca 0.56 0.75 0.19 0.00 -0.15 0.00 0.00 54.97 56.32 2kfp s GLU 119 Cb -0.40 -3.95 0.55 0.00 -0.44 0.00 0.00 34.13 29.89 2kfp s GLU 119 CO 0.44 -1.44 1.46 1.58 0.95 0.00 0.00 175.26 178.24 2kfp n HIS 120 N 8.23 0.86 -1.13 4.83 -0.00 -1.26 -5.06 115.22 121.69 2kfp n HIS 120 Ca 0.14 -0.42 0.14 0.00 0.46 0.00 0.00 57.72 58.04 2kfp n HIS 120 Cb 0.48 -0.01 -0.04 0.00 -0.12 0.00 0.00 29.99 30.30 2kfp n HIS 120 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kfp n HIS 121 N 1.28 -2.72 -3.82 1.57 8.25 -1.26 -4.95 115.22 113.57 2kfp n HIS 121 Ca 0.21 1.39 -0.12 0.00 -0.26 0.00 0.00 57.72 58.93 2kfp n HIS 121 Cb 0.54 -2.47 -0.12 0.00 1.12 0.00 0.00 29.99 29.05 2kfp n HIS 121 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kfp s HIS 122 N -2.50 -0.15 0.33 4.41 2.46 -1.26 -5.15 115.29 113.44 2kfp s HIS 122 Ca 0.00 0.37 -0.26 0.00 0.47 0.00 0.00 55.06 55.64 2kfp s HIS 122 Cb 0.00 0.05 -0.10 0.00 -0.13 0.00 0.00 32.58 32.40 2kfp s HIS 122 CO 0.00 -0.11 0.97 -1.58 -2.47 0.00 0.00 174.74 171.55 2kfp s HIS 123 N -0.08 3.62 0.49 3.88 2.46 -1.26 -5.01 115.29 119.38 2kfp s HIS 123 Ca -0.02 1.76 -0.23 0.00 0.47 0.00 0.00 55.06 57.04 2kfp s HIS 123 Cb -0.02 -2.97 -0.06 0.00 -0.13 0.00 0.00 32.58 29.40 2kfp s HIS 123 CO 0.00 0.04 1.27 -1.58 -2.47 0.00 0.00 174.74 172.01 2kfp s HIS 124 N -1.61 2.60 0.00 3.88 2.46 -1.26 -5.34 115.29 116.02 2kfp s HIS 124 Ca 0.51 1.44 0.00 0.00 0.47 0.00 0.00 55.06 57.48 2kfp s HIS 124 Cb -0.20 -3.61 0.00 0.00 -0.13 0.00 0.00 32.58 28.64 2kfp s HIS 124 CO 0.25 -2.22 0.00 -2.39 -2.47 0.00 0.00 174.74 167.91