#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 5.67 0.18 6.12 2.47 -1.26 -4.56 114.94 123.56 2kfp s ASN 2 Ca 0.00 -0.08 -0.13 0.00 0.42 0.00 0.00 52.86 53.08 2kfp s ASN 2 Cb 0.00 -1.53 0.08 0.00 -1.45 0.00 0.00 41.25 38.35 2kfp s ASN 2 CO 0.00 0.06 1.79 -0.09 -3.72 0.00 0.00 177.10 175.14 2kfp h ARG 3 N 2.33 0.82 -0.85 0.43 2.43 -1.97 -2.33 114.38 115.24 2kfp h ARG 3 Ca -0.48 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 58.64 2kfp h ARG 3 Cb 1.20 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.54 2kfp h ARG 3 CO 0.64 0.63 0.54 0.37 -1.51 0.00 0.00 179.97 180.63 2kfp h GLN 4 N 0.79 0.99 -0.35 0.20 5.75 -2.01 -1.81 115.11 118.68 2kfp h GLN 4 Ca 0.21 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.56 2kfp h GLN 4 Cb 0.05 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 2kfp h GLN 4 CO -0.03 0.65 -0.15 1.96 -2.65 0.00 0.00 178.83 178.61 2kfp h GLN 5 N 1.02 0.62 -0.44 1.69 1.08 -1.88 -2.57 115.11 114.62 2kfp h GLN 5 Ca 0.35 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2kfp h GLN 5 Cb 0.07 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 2kfp h GLN 5 CO -0.14 0.74 0.29 0.35 -0.95 0.00 0.00 178.83 179.12 2kfp h PHE 6 N 0.56 0.56 -0.35 2.96 3.57 -0.80 0.22 116.94 123.66 2kfp h PHE 6 Ca 0.10 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2kfp h PHE 6 Cb 0.58 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2kfp h PHE 6 CO 0.02 0.36 0.13 0.82 -2.23 0.00 0.00 178.31 177.41 2kfp h ILE 7 N 0.60 1.20 -0.69 1.41 5.03 -1.33 0.65 117.51 124.38 2kfp h ILE 7 Ca 0.16 -0.63 -0.04 0.00 -0.12 0.00 0.00 64.86 64.23 2kfp h ILE 7 Cb -0.06 0.95 -0.03 0.00 -3.03 0.00 0.00 36.82 34.65 2kfp h ILE 7 CO -0.03 0.22 0.28 0.44 -0.68 0.00 0.00 178.15 178.37 2kfp h ASP 8 N 0.42 0.92 -0.25 1.72 3.32 -1.09 -1.98 116.42 119.48 2kfp h ASP 8 Ca 0.12 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 2kfp h ASP 8 Cb 0.22 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 2kfp h ASP 8 CO -0.01 0.82 -0.22 0.22 -1.72 0.00 0.00 179.24 178.34 2kfp h TYR 9 N 0.99 0.70 -0.02 4.55 5.03 -0.20 -1.84 116.97 126.18 2kfp h TYR 9 Ca 0.23 -0.20 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 2kfp h TYR 9 Cb 0.18 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.31 2kfp h TYR 9 CO 0.02 0.90 0.01 0.00 -1.32 0.00 0.00 178.16 177.76 2kfp h ALA 10 N 0.69 0.03 -0.02 1.82 0.00 -0.63 -2.54 119.26 118.60 2kfp h ALA 10 Ca 0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2kfp h ALA 10 Cb 0.77 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kfp h ALA 10 CO 0.06 -0.45 -0.31 -0.56 0.00 0.00 0.00 179.25 177.98 2kfp h GLN 11 N -0.03 0.04 -0.13 0.00 3.07 -1.41 0.48 115.11 117.13 2kfp h GLN 11 Ca 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 2kfp h GLN 11 Cb 0.05 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.60 2kfp h GLN 11 CO -0.00 0.36 0.08 -0.22 0.09 0.00 0.00 178.83 179.13 2kfp h LYS 12 N 0.04 0.19 0.00 0.06 3.64 -0.92 2.44 116.57 122.01 2kfp h LYS 12 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2kfp h LYS 12 Cb 0.58 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2kfp h LYS 12 CO 0.04 0.19 -0.64 1.63 -2.27 0.00 0.00 179.45 178.41 2kfp n LYS 13 N -4.95 0.15 0.00 1.90 5.02 -1.05 -4.49 118.16 114.74 2kfp n LYS 13 Ca -0.05 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2kfp n LYS 13 Cb 0.07 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 2kfp n LYS 13 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2kfp n TYR 14 N -1.78 0.00 -3.61 2.13 4.01 0.15 -5.03 117.16 113.04 2kfp n TYR 14 Ca 0.04 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.53 2kfp n TYR 14 Cb 0.39 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.48 2kfp n TYR 14 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2kfp n ASP 15 N -0.42 -6.02 -4.52 7.72 2.03 0.82 -4.92 116.55 111.24 2kfp n ASP 15 Ca 0.00 -0.56 -0.35 0.00 0.52 0.00 0.00 54.79 54.40 2kfp n ASP 15 Cb 0.01 -4.76 -0.12 0.00 -0.72 0.00 0.00 41.12 35.53 2kfp n ASP 15 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2kfp s THR 16 N -3.30 4.23 0.37 5.18 2.01 -1.26 -4.94 115.64 117.93 2kfp s THR 16 Ca 0.58 -0.23 -0.07 0.00 0.31 0.00 0.00 61.69 62.29 2kfp s THR 16 Cb -0.26 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 2kfp s THR 16 CO 0.71 0.44 0.67 -0.54 -0.69 0.00 0.00 174.62 175.22 2kfp s LYS 17 N 0.71 3.66 0.34 4.92 1.02 -1.26 -4.37 119.74 124.77 2kfp s LYS 17 Ca 0.01 0.18 -0.27 0.00 0.02 0.00 0.00 55.97 55.91 2kfp s LYS 17 Cb -0.14 -2.51 -0.13 0.00 -0.52 0.00 0.00 37.83 34.54 2kfp s LYS 17 CO 0.02 0.04 1.04 -2.30 -0.92 0.00 0.00 175.35 173.24 2kfp n PRO 18 N -1.36 1.46 -4.13 -1.68 -0.02 -1.26 -4.95 135.00 123.06 2kfp n PRO 18 Ca -0.00 0.52 -0.29 0.00 -2.02 0.00 0.00 63.50 61.71 2kfp n PRO 18 Cb 0.54 -1.97 -0.17 0.00 -0.02 0.00 0.00 33.50 31.88 2kfp n PRO 18 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kfp s ASP 19 N -0.58 2.49 -0.53 2.55 2.15 -0.92 -4.89 116.67 116.93 2kfp s ASP 19 Ca 0.59 -0.43 0.04 0.00 0.43 0.00 0.00 52.55 53.18 2kfp s ASP 19 Cb -0.63 -1.07 0.15 0.00 -0.30 0.00 0.00 42.92 41.06 2kfp s ASP 19 CO 0.59 -0.05 0.33 -1.38 -0.17 0.00 0.00 175.17 174.49 2kfp s HIS 20 N 1.38 2.67 0.47 -5.34 -3.43 -1.26 -0.47 115.29 109.29 2kfp s HIS 20 Ca 0.01 -2.88 0.16 0.00 -0.80 0.00 0.00 55.06 51.56 2kfp s HIS 20 Cb -0.13 -2.27 1.14 0.00 -1.43 0.00 0.00 32.58 29.88 2kfp s HIS 20 CO -0.07 -0.71 2.02 -1.35 -2.00 0.00 0.00 174.74 172.62 2kfp h PRO 21 N 6.18 0.26 -6.41 -0.38 0.11 -1.93 -3.41 132.00 126.42 2kfp h PRO 21 Ca 0.04 -0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.60 2kfp h PRO 21 Cb 0.87 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.89 2kfp h PRO 21 CO 0.59 0.17 0.21 -1.58 -0.21 0.00 0.00 178.00 177.19 2kfp s TRP 22 N -5.26 3.79 -0.15 0.65 0.51 -1.26 -4.95 118.94 112.26 2kfp s TRP 22 Ca -0.07 1.58 0.18 0.00 -2.12 0.00 0.00 56.10 55.68 2kfp s TRP 22 Cb 0.19 -2.87 -0.09 0.00 -0.81 0.00 0.00 33.47 29.90 2kfp s TRP 22 CO 0.73 0.30 0.92 1.05 -0.51 0.00 0.00 176.95 179.45 2kfp h GLU 23 N 5.39 0.00 0.00 4.98 9.09 -2.03 -3.30 114.58 128.71 2kfp h GLU 23 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 2kfp h GLU 23 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 2kfp h GLU 23 CO 0.70 0.23 0.00 1.63 0.05 0.00 0.00 179.01 181.62 2kfp n LYS 24 N -2.86 0.62 -3.20 1.06 5.02 -1.26 -3.95 118.16 113.60 2kfp n LYS 24 Ca -0.06 0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.02 2kfp n LYS 24 Cb 0.76 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 2kfp n LYS 24 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2kfp n PHE 25 N -1.16 0.41 0.28 2.13 3.72 -1.24 -4.92 117.46 116.68 2kfp n PHE 25 Ca 0.17 -3.72 0.17 0.00 -0.05 0.00 0.00 57.45 54.02 2kfp n PHE 25 Cb 0.16 -0.40 0.72 0.00 -0.94 0.00 0.00 39.48 39.02 2kfp n PHE 25 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kfp h PRO 26 N 3.62 0.00 -0.00 -1.08 0.13 -1.74 -2.17 132.00 130.75 2kfp h PRO 26 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2kfp h PRO 26 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2kfp h PRO 26 CO 0.53 0.01 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.00 2kfp n ASP 27 N -3.11 0.18 -4.82 1.44 8.00 -1.26 -4.79 116.55 112.19 2kfp n ASP 27 Ca 0.00 -0.28 -0.38 0.00 0.71 0.00 0.00 54.79 54.84 2kfp n ASP 27 Cb 0.29 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.13 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 -2.56 3.76 -0.14 1.24 1.51 -0.82 -4.54 117.35 115.80 2kfp s TYR 28 Ca 0.28 1.15 0.01 0.00 -1.01 0.00 0.00 57.07 57.49 2kfp s TYR 28 Cb 0.20 -2.40 0.02 0.00 -0.11 0.00 0.00 41.96 39.67 2kfp s TYR 28 CO 0.48 0.60 -0.14 0.00 -1.11 0.00 0.00 175.55 175.37 2kfp s ALA 29 N -1.12 1.81 -0.19 3.71 0.00 -0.17 -4.53 121.76 121.27 2kfp s ALA 29 Ca 0.27 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 2kfp s ALA 29 Cb -0.18 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 2kfp s ALA 29 CO 0.17 -0.30 -0.02 0.08 0.00 0.00 0.00 175.76 175.69 2kfp s VAL 30 N 1.35 3.81 -0.27 0.00 1.01 0.38 -0.71 120.40 125.95 2kfp s VAL 30 Ca 0.02 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 2kfp s VAL 30 Cb -0.13 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2kfp s VAL 30 CO -0.08 0.45 0.05 -0.36 0.00 0.00 0.00 175.10 175.16 2kfp s PHE 31 N 0.89 3.11 -0.08 5.22 0.08 -0.20 -2.15 117.98 124.85 2kfp s PHE 31 Ca 0.00 -0.90 -0.05 0.00 0.12 0.00 0.00 56.93 56.10 2kfp s PHE 31 Cb -0.14 -2.22 0.03 0.00 -0.57 0.00 0.00 43.02 40.11 2kfp s PHE 31 CO 0.02 -0.54 0.19 0.50 -0.10 0.00 0.00 175.22 175.29 2kfp s ARG 32 N 1.51 0.18 -0.35 0.44 3.52 -1.26 -2.39 118.95 120.60 2kfp s ARG 32 Ca 0.04 0.35 -0.13 0.00 -0.13 0.00 0.00 55.73 55.85 2kfp s ARG 32 Cb -0.16 -0.02 -0.01 0.00 -1.56 0.00 0.00 34.95 33.20 2kfp s ARG 32 CO 0.01 -0.09 0.25 -1.01 -0.81 0.00 0.00 175.30 173.65 2kfp s HIS 33 N 0.62 3.23 0.31 5.12 3.76 -1.26 -4.95 115.29 122.12 2kfp s HIS 33 Ca -0.04 -0.23 0.02 0.00 -0.15 0.00 0.00 55.06 54.65 2kfp s HIS 33 Cb -0.06 -2.49 0.50 0.00 1.11 0.00 0.00 32.58 31.65 2kfp s HIS 33 CO -0.03 -0.38 1.86 0.77 -0.85 0.00 0.00 174.74 176.11 2kfp h SER 34 N 8.50 0.64 0.31 1.40 0.02 -1.99 0.92 113.55 123.35 2kfp h SER 34 Ca -0.31 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2kfp h SER 34 Cb 1.15 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2kfp h SER 34 CO 0.64 0.66 0.00 -0.90 -1.14 0.00 0.00 176.83 176.09 2kfp n ASP 35 N -4.28 0.00 -0.03 3.07 5.68 -1.26 -2.90 116.55 116.83 2kfp n ASP 35 Ca 0.03 -0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.28 2kfp n ASP 35 Cb 0.23 -0.27 -0.05 0.00 -1.14 0.00 0.00 41.12 39.89 2kfp n ASP 35 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2kfp n ASN 36 N -1.27 3.43 -0.87 -1.12 4.05 -0.57 -4.96 115.26 113.95 2kfp n ASN 36 Ca 0.09 -0.00 -0.02 0.00 0.45 0.00 0.00 54.58 55.09 2kfp n ASN 36 Cb 0.14 0.59 -0.01 0.00 1.23 0.00 0.00 39.78 41.73 2kfp n ASN 36 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2kfp n ASP 37 N -2.27 -0.75 0.00 1.20 8.00 0.21 -4.29 116.55 118.65 2kfp n ASP 37 Ca -0.11 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2kfp n ASP 37 Cb 0.70 -1.05 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 2kfp n ASP 37 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2kfp n LYS 38 N -0.93 4.72 -2.55 -1.24 4.81 -1.26 -5.03 118.16 116.67 2kfp n LYS 38 Ca -0.02 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.99 2kfp n LYS 38 Cb 0.09 -0.55 -0.02 0.00 0.02 0.00 0.00 35.03 34.56 2kfp n LYS 38 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 2kfp s TRP 39 N -0.34 3.03 -0.16 5.64 -0.11 -1.26 -4.95 118.94 120.80 2kfp s TRP 39 Ca 0.00 1.16 -0.00 0.00 1.22 0.00 0.00 56.10 58.47 2kfp s TRP 39 Cb 0.00 -3.57 -0.01 0.00 -1.50 0.00 0.00 33.47 28.39 2kfp s TRP 39 CO 0.00 -1.11 -0.13 -0.47 -4.62 0.00 0.00 176.95 170.62 2kfp s TYR 40 N 3.63 2.81 -0.17 5.86 5.04 -1.26 -4.08 117.35 129.19 2kfp s TYR 40 Ca 0.49 -0.94 -0.09 0.00 -2.44 0.00 0.00 57.07 54.10 2kfp s TYR 40 Cb -0.16 -1.91 0.06 0.00 0.35 0.00 0.00 41.96 40.30 2kfp s TYR 40 CO 0.14 -0.42 0.41 0.00 -1.34 0.00 0.00 175.55 174.33 2kfp s ALA 41 N 0.80 -1.04 -0.08 3.97 0.00 -1.01 -4.63 121.76 119.77 2kfp s ALA 41 Ca -0.05 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.42 2kfp s ALA 41 Cb -0.15 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.03 2kfp s ALA 41 CO 0.01 -0.31 -0.05 -1.17 0.00 0.00 0.00 175.76 174.23 2kfp s LEU 42 N 1.52 1.11 -0.15 0.00 2.96 -1.26 -1.03 118.68 121.82 2kfp s LEU 42 Ca -0.09 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2kfp s LEU 42 Cb -0.09 -0.63 0.00 0.00 0.50 0.00 0.00 46.19 45.97 2kfp s LEU 42 CO -0.13 -0.10 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.41 2kfp s LEU 43 N 1.45 2.35 0.14 -0.68 0.20 0.11 -1.94 118.68 120.32 2kfp s LEU 43 Ca -0.02 -0.52 -0.16 0.00 0.69 0.00 0.00 54.13 54.12 2kfp s LEU 43 Cb -0.13 -1.53 0.03 0.00 -0.43 0.00 0.00 46.19 44.13 2kfp s LEU 43 CO -0.04 0.07 0.43 0.00 -0.29 0.00 0.00 176.35 176.52 2kfp s MET 44 N 0.88 1.15 -0.35 1.98 0.23 -1.11 -1.00 119.30 121.07 2kfp s MET 44 Ca -0.05 -0.76 -0.15 0.00 -1.03 0.00 0.00 55.69 53.70 2kfp s MET 44 Cb -0.15 0.48 -0.01 0.00 -1.53 0.00 0.00 34.83 33.62 2kfp s MET 44 CO -0.02 -0.46 0.33 0.16 -2.03 0.00 0.00 175.02 173.00 2kfp s ASP 45 N -2.83 6.14 0.06 -1.18 -4.77 -1.26 -2.58 116.67 110.25 2kfp s ASP 45 Ca 0.05 -0.36 0.08 0.00 -3.30 0.00 0.00 52.55 49.01 2kfp s ASP 45 Cb 0.01 -2.18 -0.03 0.00 -1.09 0.00 0.00 42.92 39.63 2kfp s ASP 45 CO -0.09 -0.34 -0.21 0.27 0.70 0.00 0.00 175.17 175.50 2kfp s ILE 46 N 1.93 1.70 0.47 2.11 -4.36 -0.78 -4.88 121.20 117.39 2kfp s ILE 46 Ca 0.10 -1.28 -0.24 0.00 -0.26 0.00 0.00 60.65 58.96 2kfp s ILE 46 Cb -0.17 -1.49 -0.07 0.00 1.25 0.00 0.00 42.46 41.98 2kfp s ILE 46 CO 0.11 0.15 1.40 -2.16 0.24 0.00 0.00 174.94 174.68 2kfp s PRO 47 N -1.34 3.55 0.61 0.37 0.04 -1.26 -2.39 135.00 134.58 2kfp s PRO 47 Ca 0.07 2.34 0.38 0.00 0.04 0.00 0.00 61.00 63.84 2kfp s PRO 47 Cb -0.09 -2.55 1.94 0.00 0.04 0.00 0.00 34.50 33.85 2kfp s PRO 47 CO 0.02 -0.90 2.21 0.00 0.04 0.00 0.00 177.00 178.37 2kfp h ALA 48 N 2.10 1.07 -0.58 8.56 0.00 -1.55 -2.56 119.26 126.30 2kfp h ALA 48 Ca -0.51 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.40 2kfp h ALA 48 Cb 1.27 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2kfp h ALA 48 CO 0.60 0.02 0.38 0.93 0.00 0.00 0.00 179.25 181.19 2kfp h GLU 49 N 0.00 0.71 -0.58 0.00 5.08 -1.54 0.19 114.58 118.45 2kfp h GLU 49 Ca -0.00 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2kfp h GLU 49 Cb 0.20 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2kfp h GLU 49 CO 0.00 0.47 0.13 0.87 -1.00 0.00 0.00 179.01 179.49 2kfp h LYS 50 N 0.74 0.94 -0.97 2.33 1.57 -1.73 -2.26 116.57 117.18 2kfp h LYS 50 Ca 0.22 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2kfp h LYS 50 Cb -0.01 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 2kfp h LYS 50 CO -0.05 0.87 0.01 0.44 -0.57 0.00 0.00 179.45 180.14 2kfp n ILE 51 N -4.36 0.34 -0.48 1.86 -5.35 -0.91 -4.79 119.36 105.67 2kfp n ILE 51 Ca 0.03 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2kfp n ILE 51 Cb 0.24 -0.52 0.00 0.00 -1.74 0.00 0.00 39.64 37.62 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 0.08 1.70 3.73 3.28 0.00 -0.85 -4.99 105.19 108.15 2kfp n GLY 52 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.16 4.41 0.25 -0.61 1.01 0.01 -4.93 121.20 118.18 2kfp s ILE 53 Ca 0.00 1.96 -0.05 0.00 0.00 0.00 0.00 60.65 62.56 2kfp s ILE 53 Cb 0.00 -4.25 0.22 0.00 0.01 0.00 0.00 42.46 38.44 2kfp s ILE 53 CO 0.00 0.28 1.88 0.78 0.00 0.00 0.00 174.94 177.88 2kfp h ASN 54 N 5.71 1.07 0.00 3.58 2.35 -1.92 -2.83 115.58 123.53 2kfp h ASN 54 Ca -0.43 -0.09 -0.64 0.00 -0.55 0.00 0.00 56.30 54.59 2kfp h ASN 54 Cb 1.21 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 39.28 2kfp h ASN 54 CO 0.73 0.85 1.15 0.61 -1.65 0.00 0.00 177.43 179.11 2kfp n GLY 55 N -1.18 -0.14 0.05 2.83 0.00 -1.26 -4.68 105.19 100.80 2kfp n GLY 55 Ca 0.09 0.96 0.09 0.00 0.00 0.00 0.00 46.02 47.16 2kfp n GLY 55 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kfp n ASP 56 N 6.53 0.14 -4.90 1.61 5.68 -1.26 -3.50 116.55 120.86 2kfp n ASP 56 Ca 0.47 -1.46 -0.29 0.00 -0.50 0.00 0.00 54.79 53.02 2kfp n ASP 56 Cb -0.03 -0.01 0.01 0.00 -1.14 0.00 0.00 41.12 39.95 2kfp n ASP 56 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2kfp s LYS 57 N -1.98 3.35 0.38 0.11 -2.85 -1.26 -4.79 119.74 112.70 2kfp s LYS 57 Ca 0.28 0.34 -0.24 0.00 -1.00 0.00 0.00 55.97 55.35 2kfp s LYS 57 Cb 0.13 -2.23 -0.10 0.00 -2.06 0.00 0.00 37.83 33.57 2kfp s LYS 57 CO 0.21 -0.51 0.97 1.03 0.10 0.00 0.00 175.35 177.15 2kfp s ARG 58 N -4.99 4.35 0.10 1.78 0.52 -1.26 -2.74 118.95 116.71 2kfp s ARG 58 Ca 0.52 1.28 0.02 0.00 -0.52 0.00 0.00 55.73 57.04 2kfp s ARG 58 Cb -0.11 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 2kfp s ARG 58 CO 0.48 0.07 -0.07 0.14 0.02 0.00 0.00 175.30 175.94 2kfp s VAL 59 N -1.84 0.75 -0.14 3.52 -7.23 -1.01 -4.90 120.40 109.55 2kfp s VAL 59 Ca 0.56 -1.92 -0.07 0.00 -1.81 0.00 0.00 61.98 58.75 2kfp s VAL 59 Cb -0.16 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 2kfp s VAL 59 CO 0.20 -0.84 0.10 -1.81 -0.31 0.00 0.00 175.10 172.44 2kfp s ASP 60 N -3.00 5.98 0.08 4.85 1.01 -1.26 -1.87 116.67 122.45 2kfp s ASP 60 Ca 0.12 0.28 0.02 0.00 0.71 0.00 0.00 52.55 53.68 2kfp s ASP 60 Cb 0.04 -1.95 -0.04 0.00 1.01 0.00 0.00 42.92 41.99 2kfp s ASP 60 CO -0.04 0.31 -0.08 0.68 0.21 0.00 0.00 175.17 176.25 2kfp s VAL 61 N -0.42 0.68 0.03 -1.27 -7.23 -1.07 -1.50 120.40 109.63 2kfp s VAL 61 Ca 0.11 -1.60 0.03 0.00 -1.81 0.00 0.00 61.98 58.70 2kfp s VAL 61 Cb -0.12 -1.28 -0.02 0.00 0.56 0.00 0.00 36.38 35.53 2kfp s VAL 61 CO 0.02 -0.66 -0.10 0.27 -0.31 0.00 0.00 175.10 174.32 2kfp s ILE 62 N -2.69 0.73 0.21 -0.62 -4.36 -1.08 -2.75 121.20 110.63 2kfp s ILE 62 Ca 0.04 -0.90 -0.23 0.00 -0.26 0.00 0.00 60.65 59.30 2kfp s ILE 62 Cb -0.01 -0.71 -0.08 0.00 1.25 0.00 0.00 42.46 42.91 2kfp s ILE 62 CO -0.02 -0.15 0.77 -1.81 0.24 0.00 0.00 174.94 173.96 2kfp s ASP 63 N -1.17 7.23 -0.06 4.36 1.01 -0.82 -2.35 116.67 124.88 2kfp s ASP 63 Ca -0.04 1.56 -0.01 0.00 0.71 0.00 0.00 52.55 54.78 2kfp s ASP 63 Cb -0.08 -2.47 0.03 0.00 1.01 0.00 0.00 42.92 41.41 2kfp s ASP 63 CO 0.01 0.10 0.01 -0.22 0.21 0.00 0.00 175.17 175.28 2kfp s LEU 64 N -1.63 0.60 0.08 1.23 1.98 -0.80 -4.49 118.68 115.65 2kfp s LEU 64 Ca 0.41 -0.04 -0.25 0.00 -2.89 0.00 0.00 54.13 51.36 2kfp s LEU 64 Cb -0.20 -0.35 -0.06 0.00 0.66 0.00 0.00 46.19 46.24 2kfp s LEU 64 CO 0.23 -0.19 0.75 -1.59 -1.89 0.00 0.00 176.35 173.67 2kfp s LYS 65 N 1.85 4.49 0.15 1.98 -2.85 -1.26 -1.82 119.74 122.28 2kfp s LYS 65 Ca 0.02 1.06 -0.04 0.00 -1.00 0.00 0.00 55.97 56.02 2kfp s LYS 65 Cb -0.12 -3.32 -0.03 0.00 -2.06 0.00 0.00 37.83 32.29 2kfp s LYS 65 CO -0.04 0.40 0.14 0.14 0.10 0.00 0.00 175.35 176.10 2kfp s VAL 66 N -0.49 0.08 0.44 1.79 -7.23 -1.05 -4.66 120.40 109.28 2kfp s VAL 66 Ca 0.37 -1.75 -0.21 0.00 -1.81 0.00 0.00 61.98 58.57 2kfp s VAL 66 Cb -0.21 -2.04 -0.10 0.00 0.56 0.00 0.00 36.38 34.59 2kfp s VAL 66 CO 0.24 -0.36 0.99 -1.10 -0.31 0.00 0.00 175.10 174.56 2kfp s GLN 67 N -4.04 4.12 0.32 4.82 -0.21 -1.26 -4.53 119.66 118.89 2kfp s GLN 67 Ca 0.24 1.24 0.09 0.00 0.02 0.00 0.00 55.36 56.95 2kfp s GLN 67 Cb 0.06 -2.23 0.84 0.00 1.00 0.00 0.00 33.01 32.68 2kfp s GLN 67 CO 0.03 -0.14 1.77 -1.35 -2.12 0.00 0.00 175.29 173.47 2kfp h PRO 68 N 1.94 0.63 -0.13 2.91 0.11 -1.97 0.94 132.00 136.45 2kfp h PRO 68 Ca -0.49 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.45 2kfp h PRO 68 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2kfp h PRO 68 CO 0.61 0.42 -0.52 1.05 -0.21 0.00 0.00 178.00 179.35 2kfp h GLU 69 N 0.65 0.35 -0.05 1.05 4.11 -1.96 -2.73 114.58 115.99 2kfp h GLU 69 Ca 0.60 -0.20 0.00 0.00 0.07 0.00 0.00 59.36 59.82 2kfp h GLU 69 Cb 1.08 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2kfp h GLU 69 CO -0.39 0.78 0.00 1.28 0.07 0.00 0.00 179.01 180.75 2kfp n LEU 70 N -3.95 0.76 -0.19 3.06 4.77 0.24 -3.88 117.00 117.81 2kfp n LEU 70 Ca -0.02 -0.30 -0.08 0.00 -0.03 0.00 0.00 56.01 55.58 2kfp n LEU 70 Cb 0.57 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.64 2kfp n LEU 70 CO 0.44 0.15 0.91 1.62 -1.33 0.00 0.00 177.39 179.19 2kfp h VAL 71 N 1.08 1.24 -0.37 4.08 3.04 -0.99 -1.56 116.25 122.77 2kfp h VAL 71 Ca 0.00 -0.84 -0.16 0.00 -1.01 0.00 0.00 66.70 64.69 2kfp h VAL 71 Cb 0.23 0.75 -0.01 0.00 -2.01 0.00 0.00 31.29 30.26 2kfp h VAL 71 CO 0.00 0.31 -0.39 1.23 -1.01 0.00 0.00 177.57 177.71 2kfp h GLY 72 N 0.77 1.01 1.78 3.17 0.00 -1.77 0.11 103.07 108.13 2kfp h GLY 72 Ca 0.17 -1.04 -0.03 0.00 0.00 0.00 0.00 47.33 46.44 2kfp h GLY 72 CO -0.00 0.94 0.01 1.48 0.00 0.00 0.00 176.54 178.96 2kfp h SER 73 N 0.74 0.26 0.43 0.19 4.64 -1.71 -1.46 113.55 116.63 2kfp h SER 73 Ca 0.06 -0.03 -0.31 0.00 -0.47 0.00 0.00 61.79 61.04 2kfp h SER 73 Cb 0.99 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 2kfp h SER 73 CO 0.10 0.31 -1.57 0.25 -0.87 0.00 0.00 176.83 175.05 2kfp h LEU 74 N 0.28 0.38 0.00 5.97 6.46 -1.08 -3.29 115.31 124.04 2kfp h LEU 74 Ca 0.07 -0.55 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 2kfp h LEU 74 Cb 0.19 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 2kfp h LEU 74 CO 0.00 1.46 0.00 0.54 -0.62 0.00 0.00 178.44 179.82 2kfp n ARG 75 N -3.44 0.12 0.00 1.25 1.74 0.36 -2.16 116.66 114.53 2kfp n ARG 75 Ca -0.17 0.13 0.14 0.00 -0.77 0.00 0.00 57.85 57.18 2kfp n ARG 75 Cb 1.04 -1.50 0.53 0.00 -1.02 0.00 0.00 32.46 31.51 2kfp n ARG 75 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2kfp n LYS 76 N -1.41 1.07 -3.31 5.56 -0.00 -0.59 -4.74 118.16 114.75 2kfp n LYS 76 Ca 0.07 -0.54 -0.42 0.00 -0.00 0.00 0.00 58.31 57.42 2kfp n LYS 76 Cb 0.20 -1.49 -0.09 0.00 -0.00 0.00 0.00 35.03 33.66 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 -2.30 3.24 0.40 -1.58 1.02 -0.92 -5.05 119.74 114.55 2kfp s LYS 77 Ca 0.32 -0.62 -0.25 0.00 0.02 0.00 0.00 55.97 55.44 2kfp s LYS 77 Cb 0.20 -3.92 -0.11 0.00 -0.52 0.00 0.00 37.83 33.48 2kfp s LYS 77 CO 0.44 -0.78 1.00 -2.30 -0.92 0.00 0.00 175.35 172.78 2kfp n PRO 78 N 5.62 1.34 0.00 -1.68 -0.02 -1.26 -2.69 135.00 136.31 2kfp n PRO 78 Ca -0.07 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2kfp n PRO 78 Cb 0.48 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.20 3.47 3.59 -1.23 0.00 -1.26 -3.74 105.19 107.22 2kfp n GLY 79 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.91 5.20 0.11 -0.61 1.01 -1.09 -2.53 121.20 120.38 2kfp s ILE 80 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.83 2kfp s ILE 80 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2kfp s ILE 80 CO 0.00 0.28 0.01 -0.31 0.00 0.00 0.00 174.94 174.93 2kfp s TYR 81 N 1.57 2.98 0.87 3.97 1.51 -0.67 -4.90 117.35 122.69 2kfp s TYR 81 Ca 0.07 -0.04 -0.11 0.00 -1.01 0.00 0.00 57.07 55.98 2kfp s TYR 81 Cb -0.15 -1.51 0.11 0.00 -0.11 0.00 0.00 41.96 40.30 2kfp s TYR 81 CO 0.09 0.49 1.09 -1.25 -1.11 0.00 0.00 175.55 174.86 2kfp s PRO 82 N -2.47 1.51 0.52 -1.71 0.04 -1.26 -2.19 135.00 129.44 2kfp s PRO 82 Ca 0.26 0.92 -0.19 0.00 0.04 0.00 0.00 61.00 62.04 2kfp s PRO 82 Cb -0.11 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 2kfp s PRO 82 CO 0.19 -2.10 0.47 0.00 0.04 0.00 0.00 177.00 175.60 2kfp n ALA 83 N -3.80 -1.40 -0.17 8.56 0.00 -1.26 -4.44 120.51 117.99 2kfp n ALA 83 Ca 0.08 0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 2kfp n ALA 83 Cb 0.55 -1.77 0.01 0.00 0.00 0.00 0.00 19.45 18.23 2kfp n ALA 83 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2kfp h TYR 84 N 0.38 0.75 0.00 0.00 0.05 -1.92 -3.43 116.97 112.80 2kfp h TYR 84 Ca -0.44 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2kfp h TYR 84 Cb 1.40 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.92 2kfp h TYR 84 CO 0.32 0.62 0.00 1.58 -1.05 0.00 0.00 178.16 179.63 2kfp n HIS 85 N -4.56 0.00 0.00 4.88 -0.00 -1.26 -5.12 115.22 109.16 2kfp n HIS 85 Ca 0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.20 2kfp n HIS 85 Cb 0.15 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.02 2kfp n HIS 85 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 2kfp n MET 86 N -0.33 2.99 -2.36 1.57 0.00 -1.26 -4.83 117.12 112.90 2kfp n MET 86 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 2kfp n MET 86 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 2kfp n MET 86 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 2kfp s ASN 87 N -1.92 7.03 0.06 6.12 0.01 -1.26 -4.91 114.94 120.06 2kfp s ASN 87 Ca 0.00 2.14 0.21 0.00 -0.71 0.00 0.00 52.86 54.49 2kfp s ASN 87 Cb 0.00 -2.59 -0.17 0.00 0.41 0.00 0.00 41.25 38.90 2kfp s ASN 87 CO 0.00 -0.48 0.71 1.17 -1.51 0.00 0.00 177.10 176.99 2kfp n LYS 88 N 3.57 0.64 -0.13 -0.60 4.81 -1.26 -3.92 118.16 121.26 2kfp n LYS 88 Ca 0.08 0.01 -0.21 0.00 -0.87 0.00 0.00 58.31 57.32 2kfp n LYS 88 Cb 0.45 -1.69 -0.11 0.00 0.02 0.00 0.00 35.03 33.71 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 -2.57 0.60 0.13 1.64 1.02 -1.26 -4.70 120.64 115.49 2kfp n GLU 89 Ca -0.06 0.18 -0.05 0.00 -0.02 0.00 0.00 57.16 57.21 2kfp n GLU 89 Cb 0.66 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.58 2kfp n GLU 89 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kfp h HIS 90 N -0.33 -0.30 -3.52 -0.32 3.86 -1.79 -3.37 115.15 109.37 2kfp h HIS 90 Ca -0.59 -0.01 -0.66 0.00 -1.16 0.00 0.00 60.37 57.94 2kfp h HIS 90 Cb 1.76 0.10 -0.15 0.00 1.06 0.00 0.00 27.41 30.18 2kfp h HIS 90 CO -0.01 -0.19 -0.71 -1.58 0.86 0.00 0.00 177.93 176.30 2kfp s TRP 91 N -3.41 2.84 0.16 2.45 0.51 -1.25 -2.51 118.94 117.72 2kfp s TRP 91 Ca -0.05 -0.10 0.03 0.00 -2.12 0.00 0.00 56.10 53.87 2kfp s TRP 91 Cb 0.00 -1.50 -0.05 0.00 -0.81 0.00 0.00 33.47 31.12 2kfp s TRP 91 CO 0.14 0.42 -0.06 0.42 -0.51 0.00 0.00 176.95 177.37 2kfp s ILE 92 N -1.18 0.98 -0.14 2.03 -1.09 -0.75 -4.28 121.20 116.76 2kfp s ILE 92 Ca 0.21 -2.02 -0.04 0.00 -2.23 0.00 0.00 60.65 56.57 2kfp s ILE 92 Cb -0.11 -1.96 -0.03 0.00 -1.58 0.00 0.00 42.46 38.78 2kfp s ILE 92 CO 0.13 -0.64 -0.00 0.42 -1.23 0.00 0.00 174.94 173.62 2kfp s THR 93 N -3.45 4.24 -0.08 2.92 -4.23 -0.93 -1.90 115.64 112.21 2kfp s THR 93 Ca 0.19 -0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.50 2kfp s THR 93 Cb 0.04 -2.85 -0.01 0.00 1.34 0.00 0.00 72.50 71.02 2kfp s THR 93 CO 0.02 0.52 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.72 2kfp s VAL 94 N -0.02 2.38 -0.47 2.29 1.01 -0.99 -1.66 120.40 122.93 2kfp s VAL 94 Ca 0.03 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.86 2kfp s VAL 94 Cb -0.13 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.38 2kfp s VAL 94 CO 0.02 0.56 0.72 -0.22 0.00 0.00 0.00 175.10 176.18 2kfp s LEU 95 N -0.03 4.48 0.19 3.92 2.96 -1.05 -2.64 118.68 126.51 2kfp s LEU 95 Ca -0.06 -0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 53.35 2kfp s LEU 95 Cb -0.15 -2.74 0.08 0.00 0.50 0.00 0.00 46.19 43.89 2kfp s LEU 95 CO 0.05 -0.90 1.67 -0.07 -1.32 0.00 0.00 176.35 175.77 2kfp h LEU 96 N 9.99 1.05 0.00 -0.68 3.38 -1.59 -1.43 115.31 126.02 2kfp h LEU 96 Ca -0.26 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2kfp h LEU 96 Cb 1.09 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2kfp h LEU 96 CO 0.95 1.07 0.00 0.59 0.09 0.00 0.00 178.44 181.14 2kfp n ASN 97 N -4.21 0.00 -4.09 -0.43 3.02 -1.25 -4.05 115.26 104.24 2kfp n ASN 97 Ca 0.04 -1.48 -0.29 0.00 -0.03 0.00 0.00 54.58 52.81 2kfp n ASN 97 Cb 0.31 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.67 2kfp n ASN 97 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2kfp s GLY 98 N -1.43 1.80 0.00 7.41 0.00 -0.54 -5.05 107.32 109.50 2kfp s GLY 98 Ca 0.17 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.59 2kfp s GLY 98 CO 0.13 -0.51 0.30 -1.55 0.00 0.00 0.00 173.10 171.47 2kfp n PRO 99 N -3.75 0.00 0.00 2.90 -0.04 -1.26 -4.79 135.00 128.05 2kfp n PRO 99 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2kfp n PRO 99 Cb 0.59 -0.80 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 2kfp n PRO 99 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2kfp n LEU 100 N -0.51 0.00 0.00 1.53 -0.00 -1.25 -4.83 117.00 111.94 2kfp n LEU 100 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2kfp n LEU 100 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2kfp n LEU 100 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 2kfp n GLY 101 N 0.00 1.28 0.30 1.47 0.00 -1.26 -4.97 105.19 102.01 2kfp n GLY 101 Ca 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 1.14 -0.83 4.61 0.00 -1.97 -2.50 119.26 119.70 2kfp h ALA 102 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2kfp h ALA 102 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2kfp h ALA 102 CO 0.00 0.57 0.38 0.87 0.00 0.00 0.00 179.25 181.06 2kfp h LYS 103 N 0.79 1.22 -0.63 0.00 1.57 -2.00 -1.45 116.57 116.07 2kfp h LYS 103 Ca 0.16 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2kfp h LYS 103 Cb 0.38 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2kfp h LYS 103 CO 0.01 0.95 0.32 0.93 -0.57 0.00 0.00 179.45 181.09 2kfp h GLU 104 N 1.20 0.91 -0.50 3.15 4.39 -1.83 -2.24 114.58 119.65 2kfp h GLU 104 Ca 0.28 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 2kfp h GLU 104 Cb 0.15 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2kfp h GLU 104 CO -0.03 0.71 0.14 0.82 -1.16 0.00 0.00 179.01 179.50 2kfp h ILE 105 N 0.87 1.23 -0.67 3.13 2.04 -1.14 -2.35 117.51 120.63 2kfp h ILE 105 Ca 0.22 -0.80 0.07 0.00 1.00 0.00 0.00 64.86 65.35 2kfp h ILE 105 Cb 0.10 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 2kfp h ILE 105 CO -0.03 0.29 0.36 0.45 0.00 0.00 0.00 178.15 179.22 2kfp h HIS 106 N 0.68 0.66 -0.54 1.37 3.86 -0.93 0.83 115.15 121.09 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 0.29 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 2kfp h HIS 106 CO 0.02 0.30 0.28 1.03 0.86 0.00 0.00 177.93 180.42 2kfp h SER 107 N 0.66 0.68 -0.72 2.45 0.87 -1.16 -0.77 113.55 115.55 2kfp h SER 107 Ca 0.31 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 2kfp h SER 107 Cb 0.22 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 2kfp h SER 107 CO -0.20 0.60 0.28 -0.07 -0.53 0.00 0.00 176.83 176.91 2kfp h LEU 108 N 0.72 1.01 -0.54 2.23 3.38 -0.78 -1.70 115.31 119.63 2kfp h LEU 108 Ca 0.19 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2kfp h LEU 108 Cb 0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2kfp h LEU 108 CO -0.03 0.91 0.21 0.40 0.09 0.00 0.00 178.44 180.02 2kfp h ILE 109 N 1.04 1.22 -0.92 1.22 2.04 -0.46 -1.49 117.51 120.17 2kfp h ILE 109 Ca 0.24 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2kfp h ILE 109 Cb 0.22 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2kfp h ILE 109 CO -0.02 0.27 0.58 -0.08 0.00 0.00 0.00 178.15 178.90 2kfp h GLU 110 N 0.74 1.22 -0.76 2.37 4.81 -0.78 -0.49 114.58 121.70 2kfp h GLU 110 Ca 0.18 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2kfp h GLU 110 Cb 0.21 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 2kfp h GLU 110 CO -0.01 0.83 0.36 -0.44 -0.73 0.00 0.00 179.01 179.02 2kfp h ASP 111 N 1.25 1.00 -0.80 1.04 3.32 -0.78 -2.18 116.42 119.26 2kfp h ASP 111 Ca 0.33 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 2kfp h ASP 111 Cb -0.10 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.16 2kfp h ASP 111 CO -0.07 0.85 0.36 -1.28 -1.72 0.00 0.00 179.24 177.39 2kfp h SER 112 N 1.07 1.07 -0.62 6.45 0.87 -0.22 -2.26 113.55 119.92 2kfp h SER 112 Ca 0.26 -0.15 0.05 0.00 -1.23 0.00 0.00 61.79 60.72 2kfp h SER 112 Cb 0.13 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 61.76 2kfp h SER 112 CO -0.03 0.92 0.34 0.15 -0.53 0.00 0.00 176.83 177.69 2kfp h PHE 113 N 1.15 0.63 0.00 2.24 3.57 -0.52 0.39 116.94 124.40 2kfp h PHE 113 Ca 0.27 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 2kfp h PHE 113 Cb 0.16 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2kfp h PHE 113 CO 0.02 0.32 -0.22 1.96 -2.23 0.00 0.00 178.31 178.15 2kfp h GLN 114 N 0.65 0.00 0.00 1.11 1.08 -1.02 -1.89 115.11 115.03 2kfp h GLN 114 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 2kfp h GLN 114 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2kfp h GLN 114 CO -0.16 0.22 -0.55 -0.07 -0.95 0.00 0.00 178.83 177.32 2kfp h LEU 115 N 0.00 0.00 -3.14 1.46 3.38 -0.45 -3.26 115.31 113.30 2kfp h LEU 115 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kfp h LEU 115 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2kfp h LEU 115 CO 0.03 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.94 2kfp n THR 116 N -2.59 1.83 -1.52 0.22 -2.24 0.12 -5.01 114.28 105.09 2kfp n THR 116 Ca 0.02 -1.27 -0.42 0.00 -2.27 0.00 0.00 64.05 60.11 2kfp n THR 116 Cb 0.50 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 2kfp n THR 116 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kfp n ARG 117 N 0.85 0.91 -2.67 -0.78 1.74 -0.82 -4.87 116.66 111.02 2kfp n ARG 117 Ca 0.24 0.33 -0.38 0.00 -0.77 0.00 0.00 57.85 57.26 2kfp n ARG 117 Cb 0.85 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.46 30.53 2kfp n ARG 117 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kfp s LEU 118 N 0.84 4.41 -0.81 0.55 1.43 -1.26 -4.17 118.68 119.67 2kfp s LEU 118 Ca 0.63 1.98 -0.02 0.00 -1.03 0.00 0.00 54.13 55.69 2kfp s LEU 118 Cb -0.62 -3.89 -0.01 0.00 0.03 0.00 0.00 46.19 41.70 2kfp s LEU 118 CO 0.58 -0.11 0.73 -0.62 0.23 0.00 0.00 176.35 177.15 2kfp n GLU 119 N 0.75 -1.47 0.00 1.70 -0.58 -1.26 -4.99 120.64 114.79 2kfp n GLU 119 Ca 0.01 1.29 0.00 0.00 -0.42 0.00 0.00 57.16 58.04 2kfp n GLU 119 Cb 0.48 -5.35 0.00 0.00 -0.57 0.00 0.00 31.44 26.00 2kfp n GLU 119 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2kfp n HIS 120 N -2.17 0.00 1.35 -0.32 -0.00 -1.26 -4.30 115.22 108.52 2kfp n HIS 120 Ca -0.05 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.77 2kfp n HIS 120 Cb 0.54 -0.34 0.37 0.00 -0.00 0.00 0.00 29.99 30.56 2kfp n HIS 120 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kfp n HIS 121 N -1.74 0.19 -2.80 1.57 -0.00 -1.26 -4.87 115.22 106.31 2kfp n HIS 121 Ca 0.00 -0.10 -0.38 0.00 -0.00 0.00 0.00 57.72 57.24 2kfp n HIS 121 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 2kfp n HIS 121 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kfp s HIS 122 N -1.81 3.83 0.12 1.57 4.02 -1.26 -5.03 115.29 116.73 2kfp s HIS 122 Ca 0.29 1.81 -0.27 0.00 1.02 0.00 0.00 55.06 57.92 2kfp s HIS 122 Cb 0.15 -2.92 -0.07 0.00 -1.02 0.00 0.00 32.58 28.73 2kfp s HIS 122 CO 0.23 0.34 0.84 -1.01 1.02 0.00 0.00 174.74 176.16 2kfp s HIS 123 N -1.40 3.83 0.15 1.40 3.76 -1.26 -4.96 115.29 116.81 2kfp s HIS 123 Ca 0.45 1.65 -0.11 0.00 -0.15 0.00 0.00 55.06 56.90 2kfp s HIS 123 Cb -0.22 -2.88 -0.00 0.00 1.11 0.00 0.00 32.58 30.59 2kfp s HIS 123 CO 0.27 0.35 1.55 1.12 -0.85 0.00 0.00 174.74 177.18 2kfp h HIS 124 N 5.10 1.05 0.00 1.40 2.07 -1.96 -3.53 115.15 119.28 2kfp h HIS 124 Ca -0.45 -0.24 0.00 0.00 -2.85 0.00 0.00 60.37 56.84 2kfp h HIS 124 Cb 1.21 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 30.93 2kfp h HIS 124 CO 0.64 1.03 0.00 -2.39 -3.07 0.00 0.00 177.93 174.14