#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 5.48 0.12 6.12 0.01 -1.26 -4.74 114.94 120.67 2kfp s ASN 2 Ca 0.00 -0.38 -0.19 0.00 -0.71 0.00 0.00 52.86 51.58 2kfp s ASN 2 Cb 0.00 -1.13 -0.06 0.00 0.41 0.00 0.00 41.25 40.47 2kfp s ASN 2 CO 0.00 -0.30 1.78 0.03 -1.51 0.00 0.00 177.10 177.10 2kfp h ARG 3 N 1.23 0.28 -0.95 -0.60 2.47 -2.00 -2.47 114.38 112.34 2kfp h ARG 3 Ca -0.46 -0.02 0.29 0.00 -1.26 0.00 0.00 59.98 58.54 2kfp h ARG 3 Cb 1.25 -0.06 -0.16 0.00 -1.65 0.00 0.00 29.97 29.35 2kfp h ARG 3 CO 0.58 0.18 0.32 0.37 0.56 0.00 0.00 179.97 181.98 2kfp h GLN 4 N 0.28 0.16 -0.32 0.04 5.75 -1.98 0.79 115.11 119.83 2kfp h GLN 4 Ca 0.08 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 2kfp h GLN 4 Cb -0.03 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 2kfp h GLN 4 CO -0.02 0.10 0.01 1.96 -2.65 0.00 0.00 178.83 178.23 2kfp h GLN 5 N 0.16 0.56 -0.33 1.69 1.08 -1.85 0.12 115.11 116.54 2kfp h GLN 5 Ca 0.65 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.66 2kfp h GLN 5 Cb 1.45 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.81 2kfp h GLN 5 CO -0.72 0.68 0.14 0.35 -0.95 0.00 0.00 178.83 178.34 2kfp h PHE 6 N 0.36 0.49 -0.37 2.96 3.57 0.55 0.23 116.94 124.73 2kfp h PHE 6 Ca 0.09 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2kfp h PHE 6 Cb 0.43 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 2kfp h PHE 6 CO 0.03 0.45 0.10 0.82 -2.23 0.00 0.00 178.31 177.48 2kfp h ILE 7 N 0.39 1.22 -0.68 1.41 1.08 -0.19 -2.33 117.51 118.41 2kfp h ILE 7 Ca 0.11 -0.73 -0.04 0.00 -0.39 0.00 0.00 64.86 63.81 2kfp h ILE 7 Cb 0.16 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 2kfp h ILE 7 CO -0.01 0.25 0.28 0.44 -0.69 0.00 0.00 178.15 178.42 2kfp h ASP 8 N 0.44 0.92 -0.52 1.72 3.32 -0.58 -2.56 116.42 119.17 2kfp h ASP 8 Ca 0.12 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2kfp h ASP 8 Cb 0.28 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2kfp h ASP 8 CO -0.00 0.84 0.32 0.22 -1.72 0.00 0.00 179.24 178.89 2kfp h TYR 9 N 0.95 0.68 -0.66 4.55 5.03 -0.79 -2.10 116.97 124.64 2kfp h TYR 9 Ca 0.23 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.51 2kfp h TYR 9 Cb 0.19 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.22 2kfp h TYR 9 CO 0.01 0.47 0.32 0.00 -1.32 0.00 0.00 178.16 177.64 2kfp h ALA 10 N 1.16 1.32 -0.32 1.82 0.00 -1.18 -2.09 119.26 119.97 2kfp h ALA 10 Ca 0.19 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2kfp h ALA 10 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2kfp h ALA 10 CO -0.04 0.53 -0.24 1.96 0.00 0.00 0.00 179.25 181.47 2kfp h GLN 11 N 0.93 0.61 -0.46 0.00 4.20 -1.04 0.40 115.11 119.74 2kfp h GLN 11 Ca 0.23 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 2kfp h GLN 11 Cb 0.09 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2kfp h GLN 11 CO -0.03 0.80 0.09 -0.22 -0.67 0.00 0.00 178.83 178.80 2kfp h LYS 12 N 0.54 0.76 0.00 1.46 1.63 -0.74 2.95 116.57 123.17 2kfp h LYS 12 Ca 0.08 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2kfp h LYS 12 Cb 0.70 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 2kfp h LYS 12 CO 0.05 0.76 -0.49 1.63 -3.45 0.00 0.00 179.45 177.95 2kfp n LYS 13 N -4.47 0.11 0.00 1.90 4.76 -0.91 -4.49 118.16 115.05 2kfp n LYS 13 Ca 0.01 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2kfp n LYS 13 Cb 0.23 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 2kfp n LYS 13 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2kfp n TYR 14 N -1.73 0.00 -2.46 2.13 4.01 0.14 -5.01 117.16 114.24 2kfp n TYR 14 Ca 0.05 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.64 2kfp n TYR 14 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.40 2kfp n TYR 14 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2kfp n ASP 15 N -0.02 -4.39 -4.87 7.72 8.00 0.99 -4.93 116.55 119.05 2kfp n ASP 15 Ca 0.00 0.13 -0.25 0.00 0.71 0.00 0.00 54.79 55.38 2kfp n ASP 15 Cb 0.00 -3.71 -0.04 0.00 -0.02 0.00 0.00 41.12 37.35 2kfp n ASP 15 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2kfp s THR 16 N -2.73 4.84 -0.08 -3.53 -1.32 -1.26 -4.98 115.64 106.60 2kfp s THR 16 Ca 0.01 -0.99 -0.10 0.00 -1.21 0.00 0.00 61.69 59.40 2kfp s THR 16 Cb -0.01 -3.52 -0.05 0.00 -1.51 0.00 0.00 72.50 67.42 2kfp s THR 16 CO 0.01 -0.16 0.24 -0.54 -2.21 0.00 0.00 174.62 171.97 2kfp s LYS 17 N -3.35 3.64 0.36 7.08 1.02 -1.26 -4.56 119.74 122.67 2kfp s LYS 17 Ca 0.33 0.08 -0.26 0.00 0.02 0.00 0.00 55.97 56.14 2kfp s LYS 17 Cb -0.10 -3.21 -0.12 0.00 -0.52 0.00 0.00 37.83 33.88 2kfp s LYS 17 CO 0.26 0.73 0.93 -2.30 -0.92 0.00 0.00 175.35 174.06 2kfp n PRO 18 N 1.95 1.21 -4.12 -1.68 -0.02 -1.26 -4.98 135.00 126.11 2kfp n PRO 18 Ca -0.18 0.43 -0.29 0.00 -2.02 0.00 0.00 63.50 61.45 2kfp n PRO 18 Cb 0.54 -1.86 -0.17 0.00 -0.02 0.00 0.00 33.50 32.00 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 -0.69 2.48 0.19 2.55 -1.08 -1.02 -4.89 116.67 114.21 2kfp s ASP 19 Ca 0.61 -0.42 -0.14 0.00 -0.52 0.00 0.00 52.55 52.08 2kfp s ASP 19 Cb -0.63 -1.07 -0.07 0.00 -1.46 0.00 0.00 42.92 39.68 2kfp s ASP 19 CO 0.58 -0.05 0.58 -1.38 0.52 0.00 0.00 175.17 175.43 2kfp s HIS 20 N 1.39 3.55 0.00 -5.34 -3.43 -1.26 0.17 115.29 110.38 2kfp s HIS 20 Ca 0.01 1.07 0.00 0.00 -0.80 0.00 0.00 55.06 55.34 2kfp s HIS 20 Cb -0.13 -2.38 0.00 0.00 -1.43 0.00 0.00 32.58 28.63 2kfp s HIS 20 CO -0.07 0.36 0.17 -0.35 -2.00 0.00 0.00 174.74 172.84 2kfp n PRO 21 N 0.49 0.00 -3.13 -0.38 -0.04 -1.26 -4.82 135.00 125.85 2kfp n PRO 21 Ca -0.03 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.04 2kfp n PRO 21 Cb 0.52 -0.64 -0.06 0.00 -0.04 0.00 0.00 33.50 33.28 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 -0.34 3.77 0.59 0.54 0.51 -1.26 -4.93 118.94 117.81 2kfp s TRP 22 Ca 0.00 1.36 0.43 0.00 -2.12 0.00 0.00 56.10 55.77 2kfp s TRP 22 Cb 0.00 -2.66 2.28 0.00 -0.81 0.00 0.00 33.47 32.28 2kfp s TRP 22 CO 0.00 0.42 2.32 1.05 -0.51 0.00 0.00 176.95 180.23 2kfp h GLU 23 N 5.13 0.00 0.00 4.98 4.11 -2.03 0.30 114.58 127.07 2kfp h GLU 23 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2kfp h GLU 23 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kfp h GLU 23 CO 0.68 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.39 2kfp n LYS 24 N -3.10 0.40 -3.31 1.06 5.02 -1.26 -3.93 118.16 113.05 2kfp n LYS 24 Ca -0.02 0.04 -0.26 0.00 -2.02 0.00 0.00 58.31 56.05 2kfp n LYS 24 Cb 0.11 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.26 1.69 0.31 2.13 3.01 0.09 -4.92 117.46 118.51 2kfp n PHE 25 Ca 0.13 -3.87 0.16 0.00 1.01 0.00 0.00 57.45 54.88 2kfp n PHE 25 Cb 0.19 -0.45 0.71 0.00 -0.01 0.00 0.00 39.48 39.91 2kfp n PHE 25 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2kfp h PRO 26 N 4.10 0.00 0.00 -1.08 0.13 -1.73 -2.26 132.00 131.15 2kfp h PRO 26 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2kfp h PRO 26 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2kfp h PRO 26 CO 0.65 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.95 2kfp n ASP 27 N -2.79 0.00 -4.82 1.44 2.03 -1.26 -4.78 116.55 106.37 2kfp n ASP 27 Ca 0.00 -0.24 -0.38 0.00 0.52 0.00 0.00 54.79 54.70 2kfp n ASP 27 Cb 0.23 -0.25 -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 -2.51 3.77 -0.05 -0.67 1.51 -0.85 -4.81 117.35 113.74 2kfp s TYR 28 Ca 0.30 1.23 0.02 0.00 -1.01 0.00 0.00 57.07 57.61 2kfp s TYR 28 Cb 0.20 -2.47 0.01 0.00 -0.11 0.00 0.00 41.96 39.60 2kfp s TYR 28 CO 0.45 0.56 -0.09 0.00 -1.11 0.00 0.00 175.55 175.36 2kfp s ALA 29 N -1.17 1.01 -0.06 3.71 0.00 -1.09 -4.00 121.76 120.16 2kfp s ALA 29 Ca 0.30 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.01 2kfp s ALA 29 Cb -0.19 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.46 2kfp s ALA 29 CO 0.19 0.08 -0.13 0.08 0.00 0.00 0.00 175.76 175.97 2kfp s VAL 30 N 0.67 1.21 0.03 0.00 1.01 0.13 -1.41 120.40 122.03 2kfp s VAL 30 Ca -0.12 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2kfp s VAL 30 Cb -0.14 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2kfp s VAL 30 CO 0.02 0.37 0.12 -0.36 0.00 0.00 0.00 175.10 175.25 2kfp s PHE 31 N 0.49 3.34 -0.01 5.22 0.40 -0.96 -2.42 117.98 124.05 2kfp s PHE 31 Ca -0.12 0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.43 2kfp s PHE 31 Cb -0.15 -1.72 -0.01 0.00 0.51 0.00 0.00 43.02 41.66 2kfp s PHE 31 CO 0.03 0.56 -0.07 -0.98 0.70 0.00 0.00 175.22 175.46 2kfp s ARG 32 N -2.13 0.61 -0.19 0.44 1.70 -1.26 -4.26 118.95 113.87 2kfp s ARG 32 Ca 0.28 -0.27 -0.09 0.00 -0.47 0.00 0.00 55.73 55.18 2kfp s ARG 32 Cb -0.12 -0.59 -0.05 0.00 -0.57 0.00 0.00 34.95 33.62 2kfp s ARG 32 CO 0.20 0.16 0.13 -1.01 -1.08 0.00 0.00 175.30 173.70 2kfp s HIS 33 N -0.16 3.43 -0.01 5.89 3.76 -1.26 -4.99 115.29 121.95 2kfp s HIS 33 Ca 0.03 0.35 0.07 0.00 -0.15 0.00 0.00 55.06 55.35 2kfp s HIS 33 Cb -0.03 -2.12 -0.24 0.00 1.11 0.00 0.00 32.58 31.30 2kfp s HIS 33 CO -0.00 0.35 0.78 0.77 -0.85 0.00 0.00 174.74 175.79 2kfp h SER 34 N 6.42 0.12 0.05 1.40 0.02 -1.96 -3.35 113.55 116.24 2kfp h SER 34 Ca -0.43 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 2kfp h SER 34 Cb 1.16 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2kfp h SER 34 CO 0.73 1.17 -0.10 -0.90 -1.14 0.00 0.00 176.83 176.60 2kfp n ASP 35 N -3.22 1.61 -0.66 3.07 5.75 -1.26 -4.06 116.55 117.77 2kfp n ASP 35 Ca -0.15 -1.41 0.05 0.00 -0.01 0.00 0.00 54.79 53.26 2kfp n ASP 35 Cb 1.03 0.06 0.20 0.00 -1.03 0.00 0.00 41.12 41.39 2kfp n ASP 35 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2kfp n ASN 36 N 0.11 1.91 0.00 -1.12 2.85 -1.26 -4.92 115.26 112.83 2kfp n ASN 36 Ca 0.16 -3.82 0.00 0.00 -0.11 0.00 0.00 54.58 50.81 2kfp n ASN 36 Cb 0.39 -0.54 0.00 0.00 1.24 0.00 0.00 39.78 40.87 2kfp n ASN 36 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2kfp n ASP 37 N -1.14 0.00 -4.84 1.20 8.00 -1.26 -4.38 116.55 114.13 2kfp n ASP 37 Ca 0.21 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.40 2kfp n ASP 37 Cb 0.75 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.86 2kfp n ASP 37 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2kfp s LYS 38 N 0.00 3.45 -0.26 -1.24 -2.85 -1.26 -4.79 119.74 112.79 2kfp s LYS 38 Ca 0.00 0.95 -0.32 0.00 -1.00 0.00 0.00 55.97 55.60 2kfp s LYS 38 Cb 0.00 -2.06 0.17 0.00 -2.06 0.00 0.00 37.83 33.88 2kfp s LYS 38 CO 0.00 -0.68 1.30 1.67 0.10 0.00 0.00 175.35 177.74 2kfp s TRP 39 N -2.86 -0.08 -0.17 1.78 1.48 -1.26 -4.81 118.94 113.02 2kfp s TRP 39 Ca 0.58 0.11 -0.05 0.00 -1.06 0.00 0.00 56.10 55.68 2kfp s TRP 39 Cb -0.13 0.49 0.08 0.00 -1.16 0.00 0.00 33.47 32.76 2kfp s TRP 39 CO 0.45 -0.09 0.33 0.71 -4.06 0.00 0.00 176.95 174.29 2kfp s TYR 40 N -1.40 -0.59 -0.26 1.66 2.02 -1.26 -4.96 117.35 112.56 2kfp s TYR 40 Ca 0.08 1.14 -0.11 0.00 -0.37 0.00 0.00 57.07 57.81 2kfp s TYR 40 Cb -0.01 0.08 0.10 0.00 -0.40 0.00 0.00 41.96 41.73 2kfp s TYR 40 CO -0.06 -0.44 0.59 0.00 -1.57 0.00 0.00 175.55 174.07 2kfp s ALA 41 N 2.50 -1.72 -0.11 3.71 0.00 -1.26 -4.78 121.76 120.11 2kfp s ALA 41 Ca 0.01 2.13 -0.15 0.00 0.00 0.00 0.00 51.96 53.95 2kfp s ALA 41 Cb -0.12 -1.48 0.04 0.00 0.00 0.00 0.00 23.12 21.55 2kfp s ALA 41 CO -0.11 -0.64 0.38 -0.48 0.00 0.00 0.00 175.76 174.92 2kfp s LEU 42 N 2.25 0.55 -0.13 0.00 2.34 -1.26 -2.27 118.68 120.16 2kfp s LEU 42 Ca -0.07 0.60 0.02 0.00 0.06 0.00 0.00 54.13 54.75 2kfp s LEU 42 Cb -0.09 1.37 0.01 0.00 -0.56 0.00 0.00 46.19 46.92 2kfp s LEU 42 CO -0.17 -0.24 -0.21 -0.22 -1.06 0.00 0.00 176.35 174.45 2kfp s LEU 43 N -0.25 2.03 0.17 1.48 0.20 -0.50 -2.28 118.68 119.52 2kfp s LEU 43 Ca -0.04 -0.57 -0.19 0.00 0.69 0.00 0.00 54.13 54.02 2kfp s LEU 43 Cb -0.03 -1.37 0.04 0.00 -0.43 0.00 0.00 46.19 44.40 2kfp s LEU 43 CO 0.02 0.07 0.53 0.00 -0.29 0.00 0.00 176.35 176.68 2kfp s MET 44 N 0.81 1.29 -0.35 1.98 0.23 -1.06 -2.67 119.30 119.54 2kfp s MET 44 Ca -0.08 -0.69 -0.15 0.00 -1.03 0.00 0.00 55.69 53.74 2kfp s MET 44 Cb -0.16 0.54 -0.01 0.00 -1.53 0.00 0.00 34.83 33.67 2kfp s MET 44 CO -0.01 -0.55 0.37 -0.51 -2.03 0.00 0.00 175.02 172.29 2kfp s ASP 45 N -2.81 6.18 0.06 -1.18 1.01 -1.26 -2.24 116.67 116.43 2kfp s ASP 45 Ca 0.05 -0.26 0.09 0.00 0.71 0.00 0.00 52.55 53.14 2kfp s ASP 45 Cb -0.01 -2.20 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 2kfp s ASP 45 CO -0.08 -0.36 -0.25 0.27 0.21 0.00 0.00 175.17 174.96 2kfp s ILE 46 N 2.03 2.04 0.17 0.77 -4.36 -0.98 -4.88 121.20 115.99 2kfp s ILE 46 Ca 0.12 -1.41 -0.32 0.00 -0.26 0.00 0.00 60.65 58.78 2kfp s ILE 46 Cb -0.17 -1.76 -0.16 0.00 1.25 0.00 0.00 42.46 41.62 2kfp s ILE 46 CO 0.12 0.28 0.97 -2.65 0.24 0.00 0.00 174.94 173.90 2kfp n PRO 47 N 1.64 0.73 0.23 0.37 -0.02 -1.26 -2.59 135.00 134.10 2kfp n PRO 47 Ca -0.17 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.66 2kfp n PRO 47 Cb 0.52 -1.62 0.53 0.00 -0.02 0.00 0.00 33.50 32.91 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 2.56 1.18 0.00 3.55 0.00 -0.36 -2.54 119.26 123.64 2kfp h ALA 48 Ca -0.40 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2kfp h ALA 48 Cb 1.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2kfp h ALA 48 CO 0.65 0.29 0.00 1.05 0.00 0.00 0.00 179.25 181.24 2kfp h GLU 49 N 0.00 0.00 0.00 0.00 -0.00 -1.47 -2.49 114.58 110.62 2kfp h GLU 49 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2kfp h GLU 49 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.34 2kfp h GLU 49 CO 0.03 0.00 -0.30 1.63 -0.00 0.00 0.00 179.01 180.37 2kfp n LYS 50 N -2.72 0.16 -0.21 1.06 5.02 -0.96 -3.45 118.16 117.07 2kfp n LYS 50 Ca 0.01 0.09 0.10 0.00 -2.02 0.00 0.00 58.31 56.49 2kfp n LYS 50 Cb 0.27 -1.64 0.21 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.90 0.64 -0.13 -0.18 -5.35 -1.03 -4.83 119.36 106.58 2kfp n ILE 51 Ca 0.05 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.71 2kfp n ILE 51 Cb 0.39 0.84 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 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 1.31 0.68 3.73 3.28 0.00 -1.22 -4.80 105.19 108.17 2kfp n GLY 52 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.38 4.40 -0.89 -0.61 1.01 -0.97 -4.95 121.20 116.81 2kfp s ILE 53 Ca 0.00 2.05 -0.25 0.00 0.00 0.00 0.00 60.65 62.45 2kfp s ILE 53 Cb 0.00 -4.31 -0.00 0.00 0.01 0.00 0.00 42.46 38.16 2kfp s ILE 53 CO 0.00 0.34 1.69 0.20 0.00 0.00 0.00 174.94 177.17 2kfp s ASN 54 N -0.17 5.74 0.00 3.58 0.01 -1.26 -3.71 114.94 119.13 2kfp s ASN 54 Ca 0.46 -0.79 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 2kfp s ASN 54 Cb -0.24 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 38.86 2kfp s ASN 54 CO 0.30 -2.17 0.00 0.61 -1.51 0.00 0.00 177.10 174.33 2kfp n GLY 55 N 6.56 1.76 0.52 0.66 0.00 -1.26 -4.99 105.19 108.44 2kfp n GLY 55 Ca 0.31 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 1.55 -4.84 1.61 5.75 -1.26 -1.93 116.55 117.43 2kfp n ASP 56 Ca 0.00 -1.70 -0.32 0.00 -0.01 0.00 0.00 54.79 52.76 2kfp n ASP 56 Cb 0.00 -0.10 -0.05 0.00 -1.03 0.00 0.00 41.12 39.94 2kfp n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2kfp s LYS 57 N -1.80 4.03 0.10 0.11 -2.85 -1.26 -4.69 119.74 113.39 2kfp s LYS 57 Ca 0.31 0.96 -0.03 0.00 -1.00 0.00 0.00 55.97 56.22 2kfp s LYS 57 Cb 0.17 -2.18 -0.05 0.00 -2.06 0.00 0.00 37.83 33.71 2kfp s LYS 57 CO 0.25 -0.17 0.30 -0.98 0.10 0.00 0.00 175.35 174.86 2kfp s ARG 58 N -3.74 3.53 0.18 1.78 1.70 -1.26 0.26 118.95 121.40 2kfp s ARG 58 Ca 0.59 -0.25 0.03 0.00 -0.47 0.00 0.00 55.73 55.63 2kfp s ARG 58 Cb -0.10 -2.94 -0.05 0.00 -0.57 0.00 0.00 34.95 31.30 2kfp s ARG 58 CO 0.25 0.53 -0.04 0.14 -1.08 0.00 0.00 175.30 175.10 2kfp s VAL 59 N -1.59 0.99 -0.13 4.99 -7.23 -1.07 -4.82 120.40 111.54 2kfp s VAL 59 Ca 0.38 -2.03 -0.18 0.00 -1.81 0.00 0.00 61.98 58.34 2kfp s VAL 59 Cb -0.13 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2kfp s VAL 59 CO 0.26 -0.54 0.50 -0.62 -0.31 0.00 0.00 175.10 174.39 2kfp s ASP 60 N -3.21 6.67 0.15 4.85 -1.08 -1.26 -2.32 116.67 120.46 2kfp s ASP 60 Ca 0.22 0.80 0.04 0.00 -0.52 0.00 0.00 52.55 53.10 2kfp s ASP 60 Cb 0.05 -2.29 -0.04 0.00 -1.46 0.00 0.00 42.92 39.17 2kfp s ASP 60 CO 0.04 -0.04 -0.10 0.68 0.52 0.00 0.00 175.17 176.27 2kfp s VAL 61 N 0.84 1.14 0.08 1.11 -7.23 -0.95 -2.18 120.40 113.21 2kfp s VAL 61 Ca 0.26 -2.05 0.05 0.00 -1.81 0.00 0.00 61.98 58.43 2kfp s VAL 61 Cb -0.15 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 2kfp s VAL 61 CO 0.10 -0.74 -0.13 0.27 -0.31 0.00 0.00 175.10 174.29 2kfp s ILE 62 N -3.35 1.08 -0.10 -0.62 -4.36 -1.13 -2.56 121.20 110.15 2kfp s ILE 62 Ca 0.17 -1.36 -0.25 0.00 -0.26 0.00 0.00 60.65 58.95 2kfp s ILE 62 Cb 0.03 -1.11 -0.03 0.00 1.25 0.00 0.00 42.46 42.60 2kfp s ILE 62 CO 0.00 -0.29 0.79 -0.62 0.24 0.00 0.00 174.94 175.06 2kfp s ASP 63 N -1.87 7.01 -0.17 4.36 -1.08 -0.97 -2.49 116.67 121.47 2kfp s ASP 63 Ca -0.01 1.23 0.01 0.00 -0.52 0.00 0.00 52.55 53.26 2kfp s ASP 63 Cb -0.09 -2.45 0.01 0.00 -1.46 0.00 0.00 42.92 38.94 2kfp s ASP 63 CO 0.02 -0.25 -0.19 -0.22 0.52 0.00 0.00 175.17 175.05 2kfp s LEU 64 N 1.39 2.22 0.02 -1.34 1.98 -0.71 -4.62 118.68 117.62 2kfp s LEU 64 Ca 0.39 -0.60 -0.27 0.00 -2.89 0.00 0.00 54.13 50.76 2kfp s LEU 64 Cb -0.18 -1.50 -0.04 0.00 0.66 0.00 0.00 46.19 45.13 2kfp s LEU 64 CO 0.17 0.02 0.85 -0.75 -1.89 0.00 0.00 176.35 174.75 2kfp s LYS 65 N 1.19 4.54 0.14 1.98 2.20 -1.26 -1.80 119.74 126.72 2kfp s LYS 65 Ca 0.02 1.20 -0.04 0.00 -0.36 0.00 0.00 55.97 56.79 2kfp s LYS 65 Cb -0.14 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.74 2kfp s LYS 65 CO -0.09 0.12 0.13 0.14 -0.36 0.00 0.00 175.35 175.29 2kfp s VAL 66 N 0.46 0.09 0.47 4.02 -7.23 -0.95 -4.35 120.40 112.92 2kfp s VAL 66 Ca 0.44 -1.73 -0.10 0.00 -1.81 0.00 0.00 61.98 58.78 2kfp s VAL 66 Cb -0.21 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 2kfp s VAL 66 CO 0.25 -0.43 0.84 -1.10 -0.31 0.00 0.00 175.10 174.35 2kfp s GLN 67 N -4.02 3.71 0.62 4.82 -0.21 -1.26 -4.57 119.66 118.76 2kfp s GLN 67 Ca 0.21 0.51 0.36 0.00 0.02 0.00 0.00 55.36 56.46 2kfp s GLN 67 Cb 0.06 -2.31 2.05 0.00 1.00 0.00 0.00 33.01 33.82 2kfp s GLN 67 CO 0.01 -0.19 2.29 -1.00 -2.12 0.00 0.00 175.29 174.27 2kfp h PRO 68 N 0.70 0.00 0.00 2.91 0.13 -1.96 0.17 132.00 133.95 2kfp h PRO 68 Ca -0.47 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.38 2kfp h PRO 68 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2kfp h PRO 68 CO 0.63 0.01 -1.70 0.39 -0.23 0.00 0.00 178.00 177.09 2kfp n GLU 69 N -3.48 0.63 -0.06 0.86 1.02 -1.26 -3.95 120.64 114.40 2kfp n GLU 69 Ca -0.03 0.28 0.12 0.00 -0.02 0.00 0.00 57.16 57.52 2kfp n GLU 69 Cb 0.09 -1.79 0.29 0.00 -0.02 0.00 0.00 31.44 30.02 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 -3.02 2.43 0.00 -4.62 4.77 -0.65 -4.18 117.00 111.72 2kfp n LEU 70 Ca -0.17 -0.91 -0.00 0.00 -0.03 0.00 0.00 56.01 54.90 2kfp n LEU 70 Cb 1.04 -0.07 0.29 0.00 -2.33 0.00 0.00 43.42 42.34 2kfp n LEU 70 CO 0.45 0.45 0.91 1.62 -1.33 0.00 0.00 177.39 179.49 2kfp h VAL 71 N 3.53 1.20 0.00 4.08 3.04 -0.84 -1.26 116.25 126.01 2kfp h VAL 71 Ca 0.00 -0.84 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 2kfp h VAL 71 Cb 0.76 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 2kfp h VAL 71 CO 0.00 0.28 0.00 0.61 -1.01 0.00 0.00 177.57 177.45 2kfp n GLY 72 N -0.82 -1.21 0.32 3.17 0.00 -1.26 -1.48 105.19 103.90 2kfp n GLY 72 Ca 0.01 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 2kfp n GLY 72 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kfp h SER 73 N 0.00 -0.64 0.95 1.61 4.64 -1.50 -3.20 113.55 115.41 2kfp h SER 73 Ca 0.00 0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.23 2kfp h SER 73 Cb 0.31 0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2kfp h SER 73 CO 0.00 -0.26 -1.12 0.17 -0.87 0.00 0.00 176.83 174.75 2kfp h LEU 74 N -1.15 0.00 -1.94 5.97 -0.00 -1.67 -3.34 115.31 113.18 2kfp h LEU 74 Ca -0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.79 2kfp h LEU 74 Cb 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.24 2kfp h LEU 74 CO 0.13 0.39 -0.08 -0.09 -0.00 0.00 0.00 178.44 178.79 2kfp h ARG 75 N 0.00 0.00 -0.00 0.17 2.43 -1.40 -1.39 114.38 114.19 2kfp h ARG 75 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2kfp h ARG 75 Cb 1.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 2kfp h ARG 75 CO 0.03 0.08 -0.67 0.36 -1.51 0.00 0.00 179.97 178.27 2kfp n LYS 76 N -3.40 0.13 -2.36 0.20 0.00 -1.21 -4.85 118.16 106.68 2kfp n LYS 76 Ca -0.01 -0.09 -0.34 0.00 -0.00 0.00 0.00 58.31 57.87 2kfp n LYS 76 Cb 0.24 -1.50 -0.02 0.00 -0.00 0.00 0.00 35.03 33.76 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 -2.93 3.59 0.42 -1.58 1.02 -0.53 -4.99 119.74 114.74 2kfp s LYS 77 Ca 0.11 1.36 -0.25 0.00 0.02 0.00 0.00 55.97 57.21 2kfp s LYS 77 Cb 0.17 -2.06 -0.08 0.00 -0.52 0.00 0.00 37.83 35.34 2kfp s LYS 77 CO 0.74 -0.61 1.28 -1.25 -0.92 0.00 0.00 175.35 174.59 2kfp s PRO 78 N -3.47 3.90 0.00 -1.68 0.04 -1.26 -2.68 135.00 129.85 2kfp s PRO 78 Ca 0.67 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.82 2kfp s PRO 78 Cb -0.18 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.68 2kfp s PRO 78 CO 0.26 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.17 2kfp n GLY 79 N 0.65 2.04 3.66 0.56 0.00 -1.26 -4.77 105.19 106.07 2kfp n GLY 79 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.46 5.32 0.10 -0.61 -1.09 -1.09 -2.35 121.20 118.00 2kfp s ILE 80 Ca 0.00 0.33 0.10 0.00 -2.23 0.00 0.00 60.65 58.85 2kfp s ILE 80 Cb 0.00 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.28 2kfp s ILE 80 CO 0.00 0.32 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.46 2kfp s TYR 81 N 1.12 2.32 0.63 3.97 1.51 -0.74 -4.84 117.35 121.31 2kfp s TYR 81 Ca 0.11 -0.39 -0.16 0.00 -1.01 0.00 0.00 57.07 55.62 2kfp s TYR 81 Cb -0.14 -1.31 -0.02 0.00 -0.11 0.00 0.00 41.96 40.39 2kfp s TYR 81 CO 0.05 0.26 1.11 -1.25 -1.11 0.00 0.00 175.55 174.62 2kfp s PRO 82 N -1.76 2.97 0.52 -1.71 0.04 -1.26 -1.63 135.00 132.17 2kfp s PRO 82 Ca 0.13 1.44 -0.21 0.00 0.04 0.00 0.00 61.00 62.41 2kfp s PRO 82 Cb -0.10 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 2kfp s PRO 82 CO 0.05 -1.12 1.16 0.00 0.04 0.00 0.00 177.00 177.12 2kfp s ALA 83 N -2.19 2.77 1.33 8.56 0.00 -1.26 -4.47 121.76 126.50 2kfp s ALA 83 Ca 0.68 0.91 -0.22 0.00 0.00 0.00 0.00 51.96 53.34 2kfp s ALA 83 Cb -0.21 -3.39 0.33 0.00 0.00 0.00 0.00 23.12 19.85 2kfp s ALA 83 CO 0.37 -0.82 1.03 1.52 0.00 0.00 0.00 175.76 177.87 2kfp s TYR 84 N -1.65 -0.24 -0.98 0.00 -0.85 -1.26 -4.46 117.35 107.90 2kfp s TYR 84 Ca 0.70 0.46 -0.29 0.00 -0.52 0.00 0.00 57.07 57.42 2kfp s TYR 84 Cb -0.27 -3.23 -0.22 0.00 0.38 0.00 0.00 41.96 38.62 2kfp s TYR 84 CO 0.31 -4.50 2.65 -2.39 -1.52 0.00 0.00 175.55 170.11 2kfp n HIS 85 N -5.22 0.56 0.00 -3.49 1.44 -1.26 -4.14 115.22 103.11 2kfp n HIS 85 Ca 0.14 0.35 0.00 0.00 -2.01 0.00 0.00 57.72 56.20 2kfp n HIS 85 Cb 0.60 -2.28 0.00 0.00 0.12 0.00 0.00 29.99 28.44 2kfp n HIS 85 CO 0.00 0.00 0.00 -0.12 -2.81 0.00 0.00 176.34 173.41 2kfp n MET 86 N 8.34 0.00 0.00 -1.40 0.00 -1.26 -5.03 117.12 117.77 2kfp n MET 86 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.35 2kfp n MET 86 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.28 2kfp n MET 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2kfp n ASN 87 N -1.04 0.02 0.00 6.12 3.02 -1.26 -5.04 115.26 117.08 2kfp n ASN 87 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2kfp n ASN 87 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.69 0.00 0.14 3.52 4.81 -1.25 -3.87 118.16 120.82 2kfp n LYS 88 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 2kfp n LYS 88 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 2kfp n LYS 88 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2kfp h GLU 89 N 0.00 -0.28 -0.19 1.64 5.08 -1.96 -3.24 114.58 115.64 2kfp h GLU 89 Ca 0.00 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2kfp h GLU 89 Cb 0.00 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2kfp h GLU 89 CO 0.00 -0.15 -0.01 0.45 -1.00 0.00 0.00 179.01 178.30 2kfp h HIS 90 N -0.33 0.38 -4.12 4.33 3.86 -1.81 -3.42 115.15 114.04 2kfp h HIS 90 Ca -0.03 -0.07 -0.69 0.00 -1.16 0.00 0.00 60.37 58.42 2kfp h HIS 90 Cb 0.26 -0.10 -0.24 0.00 1.06 0.00 0.00 27.41 28.39 2kfp h HIS 90 CO -0.05 0.56 -0.80 -1.58 0.86 0.00 0.00 177.93 176.93 2kfp s TRP 91 N -4.92 2.61 -0.02 2.45 0.51 -1.22 -2.25 118.94 116.11 2kfp s TRP 91 Ca -0.14 -0.22 0.04 0.00 -2.12 0.00 0.00 56.10 53.66 2kfp s TRP 91 Cb 0.06 -1.58 -0.01 0.00 -0.81 0.00 0.00 33.47 31.14 2kfp s TRP 91 CO 0.73 0.16 -0.14 0.42 -0.51 0.00 0.00 176.95 177.61 2kfp s ILE 92 N -0.75 1.14 -0.01 2.03 -1.09 -0.75 -3.83 121.20 117.94 2kfp s ILE 92 Ca 0.12 -0.59 -0.23 0.00 -2.23 0.00 0.00 60.65 57.72 2kfp s ILE 92 Cb -0.10 -0.96 -0.05 0.00 -1.58 0.00 0.00 42.46 39.76 2kfp s ILE 92 CO 0.01 0.33 0.68 0.42 -1.23 0.00 0.00 174.94 175.15 2kfp s THR 93 N -0.18 4.89 -0.11 2.92 -4.23 -0.65 -1.74 115.64 116.54 2kfp s THR 93 Ca 0.02 1.43 -0.00 0.00 -1.18 0.00 0.00 61.69 61.96 2kfp s THR 93 Cb -0.07 -4.02 -0.02 0.00 1.34 0.00 0.00 72.50 69.72 2kfp s THR 93 CO 0.00 0.35 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.63 2kfp s VAL 94 N 0.14 3.26 -0.58 2.29 1.01 -1.04 -1.79 120.40 123.69 2kfp s VAL 94 Ca 0.35 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 2kfp s VAL 94 Cb -0.19 -2.36 0.05 0.00 0.00 0.00 0.00 36.38 33.88 2kfp s VAL 94 CO 0.19 0.54 0.94 -0.22 0.00 0.00 0.00 175.10 176.55 2kfp s LEU 95 N 0.06 4.19 0.17 3.92 2.96 -0.99 -2.85 118.68 126.14 2kfp s LEU 95 Ca -0.04 -0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 53.23 2kfp s LEU 95 Cb -0.14 -2.69 0.04 0.00 0.50 0.00 0.00 46.19 43.90 2kfp s LEU 95 CO 0.04 -1.28 1.58 -0.07 -1.32 0.00 0.00 176.35 175.30 2kfp h LEU 96 N 11.07 1.02 0.00 -0.68 3.38 -1.77 -2.04 115.31 126.29 2kfp h LEU 96 Ca -0.27 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2kfp h LEU 96 Cb 1.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2kfp h LEU 96 CO 1.11 1.16 0.00 0.59 0.09 0.00 0.00 178.44 181.39 2kfp n ASN 97 N -4.13 0.00 -2.55 -0.43 5.03 -1.26 -4.12 115.26 107.81 2kfp n ASN 97 Ca 0.01 -0.70 0.00 0.00 0.87 0.00 0.00 54.58 54.76 2kfp n ASN 97 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.19 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 0.17 -0.59 0.08 7.41 0.00 -0.77 -4.93 105.19 106.55 2kfp n GLY 98 Ca 0.12 -1.68 0.15 0.00 0.00 0.00 0.00 46.02 44.61 2kfp n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kfp n PRO 99 N -0.25 0.77 -1.64 1.61 -0.04 -1.26 -4.80 135.00 129.39 2kfp n PRO 99 Ca 0.00 -0.16 -0.52 0.00 -0.04 0.00 0.00 63.50 62.78 2kfp n PRO 99 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2kfp n PRO 99 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kfp n LEU 100 N -0.98 2.17 -4.95 1.53 7.99 -1.26 -4.95 117.00 116.54 2kfp n LEU 100 Ca 0.17 1.09 -0.23 0.00 -0.01 0.00 0.00 56.01 57.03 2kfp n LEU 100 Cb 0.23 -1.22 0.05 0.00 -0.11 0.00 0.00 43.42 42.36 2kfp n LEU 100 CO 0.21 -0.71 0.45 -0.83 -1.51 0.00 0.00 177.39 175.01 2kfp s GLY 101 N 1.62 1.75 0.20 -0.72 0.00 -1.26 -4.20 107.32 104.72 2kfp s GLY 101 Ca 0.88 -1.14 -0.08 0.00 0.00 0.00 0.00 44.72 44.39 2kfp s GLY 101 CO 0.51 -0.82 1.73 0.00 0.00 0.00 0.00 173.10 174.52 2kfp h ALA 102 N -0.15 0.97 -0.56 3.20 0.00 -1.99 -1.55 119.26 119.18 2kfp h ALA 102 Ca -0.43 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.17 2kfp h ALA 102 Cb 1.30 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2kfp h ALA 102 CO 0.56 0.67 0.12 0.87 0.00 0.00 0.00 179.25 181.46 2kfp h LYS 103 N 1.08 0.91 -0.52 0.00 1.79 -1.99 -0.85 116.57 116.99 2kfp h LYS 103 Ca 0.23 -0.23 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 2kfp h LYS 103 Cb 0.36 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 2kfp h LYS 103 CO 0.00 0.86 0.12 0.93 -1.08 0.00 0.00 179.45 180.28 2kfp h GLU 104 N 0.81 0.84 -0.49 3.15 5.08 -1.87 -2.32 114.58 119.77 2kfp h GLU 104 Ca 0.17 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2kfp h GLU 104 Cb 0.37 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2kfp h GLU 104 CO 0.01 0.81 0.14 0.82 -1.00 0.00 0.00 179.01 179.78 2kfp h ILE 105 N 0.73 1.23 -0.68 3.13 2.04 -1.09 -2.46 117.51 120.41 2kfp h ILE 105 Ca 0.16 -0.80 0.06 0.00 1.00 0.00 0.00 64.86 65.28 2kfp h ILE 105 Cb 0.35 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 2kfp h ILE 105 CO 0.00 0.29 0.39 0.45 0.00 0.00 0.00 178.15 179.28 2kfp h HIS 106 N 0.67 0.71 -0.56 1.37 3.86 -0.93 0.36 115.15 120.62 2kfp h HIS 106 Ca 0.16 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 2kfp h HIS 106 Cb 0.30 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 2kfp h HIS 106 CO 0.02 0.35 0.33 0.77 0.86 0.00 0.00 177.93 180.25 2kfp h SER 107 N 0.71 0.69 -0.58 2.45 0.02 -1.16 0.11 113.55 115.79 2kfp h SER 107 Ca 0.30 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 2kfp h SER 107 Cb 0.17 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2kfp h SER 107 CO -0.17 0.56 0.19 -0.07 -1.14 0.00 0.00 176.83 176.19 2kfp h LEU 108 N 0.76 0.83 -0.55 5.07 3.38 -0.88 -2.48 115.31 121.43 2kfp h LEU 108 Ca 0.20 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2kfp h LEU 108 Cb 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2kfp h LEU 108 CO -0.04 0.81 0.19 0.40 0.09 0.00 0.00 178.44 179.89 2kfp h ILE 109 N 0.81 1.23 -0.95 1.22 2.04 -0.53 -2.29 117.51 119.04 2kfp h ILE 109 Ca 0.19 -0.77 0.14 0.00 1.00 0.00 0.00 64.86 65.42 2kfp h ILE 109 Cb 0.27 0.69 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 2kfp h ILE 109 CO -0.01 0.29 0.56 -0.08 0.00 0.00 0.00 178.15 178.91 2kfp h GLU 110 N 0.77 0.79 -0.81 2.37 4.81 -0.43 0.27 114.58 122.36 2kfp h GLU 110 Ca 0.18 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2kfp h GLU 110 Cb 0.26 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 2kfp h GLU 110 CO -0.01 0.52 0.36 -0.44 -0.73 0.00 0.00 179.01 178.72 2kfp h ASP 111 N 0.81 1.08 -0.67 1.04 3.32 -0.99 -2.37 116.42 118.65 2kfp h ASP 111 Ca 0.50 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.34 2kfp h ASP 111 Cb 0.64 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 2kfp h ASP 111 CO -0.32 0.92 0.12 -1.28 -1.72 0.00 0.00 179.24 176.96 2kfp h SER 112 N 1.16 1.05 -0.19 6.45 0.87 -0.22 -1.74 113.55 120.93 2kfp h SER 112 Ca 0.28 -0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2kfp h SER 112 Cb 0.15 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2kfp h SER 112 CO -0.03 1.03 0.05 0.15 -0.53 0.00 0.00 176.83 177.50 2kfp h PHE 113 N 1.02 0.08 -0.11 2.24 3.57 -0.49 -1.41 116.94 121.84 2kfp h PHE 113 Ca 0.20 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 2kfp h PHE 113 Cb 0.42 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2kfp h PHE 113 CO 0.03 0.03 -0.34 -0.56 -2.23 0.00 0.00 178.31 175.24 2kfp h GLN 114 N 0.13 0.22 -0.79 1.11 3.07 -1.39 -2.61 115.11 114.84 2kfp h GLN 114 Ca 0.09 -0.09 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 2kfp h GLN 114 Cb 0.07 -0.01 -0.04 0.00 0.08 0.00 0.00 27.48 27.59 2kfp h GLN 114 CO -0.11 0.54 0.41 1.25 0.09 0.00 0.00 178.83 181.02 2kfp h LEU 115 N 0.19 1.00 -1.93 0.06 7.12 -0.47 -1.46 115.31 119.82 2kfp h LEU 115 Ca 0.02 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.92 2kfp h LEU 115 Cb 0.70 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 2kfp h LEU 115 CO 0.05 0.83 0.00 0.35 -0.13 0.00 0.00 178.44 179.54 2kfp n THR 116 N -4.40 1.02 -1.62 1.05 -2.24 -0.61 -4.95 114.28 102.52 2kfp n THR 116 Ca 0.07 -0.65 -0.40 0.00 -2.27 0.00 0.00 64.05 60.81 2kfp n THR 116 Cb 0.11 -0.05 0.03 0.00 -2.10 0.00 0.00 70.33 68.31 2kfp n THR 116 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2kfp n ARG 117 N 0.51 1.26 -2.34 -0.78 0.63 -0.55 -4.91 116.66 110.48 2kfp n ARG 117 Ca 0.14 0.46 -0.40 0.00 -0.92 0.00 0.00 57.85 57.13 2kfp n ARG 117 Cb 0.55 -2.12 -0.03 0.00 0.45 0.00 0.00 32.46 31.31 2kfp n ARG 117 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2kfp s LEU 118 N -1.11 4.42 -0.24 6.15 1.43 -1.26 -4.92 118.68 123.14 2kfp s LEU 118 Ca 0.67 2.39 0.10 0.00 -1.03 0.00 0.00 54.13 56.26 2kfp s LEU 118 Cb -0.50 -3.75 0.68 0.00 0.03 0.00 0.00 46.19 42.66 2kfp s LEU 118 CO 0.54 -0.38 1.62 -0.62 0.23 0.00 0.00 176.35 177.73 2kfp n GLU 119 N 0.78 3.93 -3.83 1.70 -0.58 -1.26 -4.92 120.64 116.45 2kfp n GLU 119 Ca 0.01 -2.69 -0.10 0.00 -0.42 0.00 0.00 57.16 53.96 2kfp n GLU 119 Cb 0.45 -2.14 -0.06 0.00 -0.57 0.00 0.00 31.44 29.12 2kfp n GLU 119 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2kfp s HIS 120 N -2.58 0.13 0.53 -0.32 -3.43 -1.26 -5.16 115.29 103.20 2kfp s HIS 120 Ca 0.47 -0.50 -0.15 0.00 -0.80 0.00 0.00 55.06 54.08 2kfp s HIS 120 Cb 0.37 0.08 -0.07 0.00 -1.43 0.00 0.00 32.58 31.53 2kfp s HIS 120 CO 0.13 -0.71 0.98 -1.01 -2.00 0.00 0.00 174.74 172.12 2kfp s HIS 121 N -3.89 3.49 0.22 0.38 3.76 -1.26 -4.96 115.29 113.03 2kfp s HIS 121 Ca 0.10 1.40 -0.08 0.00 -0.15 0.00 0.00 55.06 56.32 2kfp s HIS 121 Cb 0.03 -2.75 0.20 0.00 1.11 0.00 0.00 32.58 31.16 2kfp s HIS 121 CO -0.05 -0.41 1.89 0.45 -0.85 0.00 0.00 174.74 175.76 2kfp h HIS 122 N 0.69 1.10 -3.15 1.40 3.86 -2.01 -3.41 115.15 113.63 2kfp h HIS 122 Ca -0.46 0.01 -0.54 0.00 -1.16 0.00 0.00 60.37 58.22 2kfp h HIS 122 Cb 1.19 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 29.29 2kfp h HIS 122 CO 0.64 0.72 0.60 -1.58 0.86 0.00 0.00 177.93 179.16 2kfp s HIS 123 N -6.05 3.37 0.15 2.45 5.65 -1.26 -4.99 115.29 114.61 2kfp s HIS 123 Ca -0.13 1.25 -0.30 0.00 0.25 0.00 0.00 55.06 56.13 2kfp s HIS 123 Cb 0.16 -3.45 -0.07 0.00 -1.18 0.00 0.00 32.58 28.05 2kfp s HIS 123 CO 0.80 -1.40 1.08 -1.58 -0.65 0.00 0.00 174.74 173.00 2kfp s HIS 124 N 1.28 3.63 0.00 3.88 2.46 -1.26 -5.16 115.29 120.11 2kfp s HIS 124 Ca 0.59 1.62 0.00 0.00 0.47 0.00 0.00 55.06 57.74 2kfp s HIS 124 Cb -0.29 -3.24 0.00 0.00 -0.13 0.00 0.00 32.58 28.92 2kfp s HIS 124 CO 0.28 -0.49 0.00 1.58 -2.47 0.00 0.00 174.74 173.64