#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 5.69 0.19 6.12 0.02 -1.26 -4.92 114.94 120.78 2kfp s ASN 2 Ca 0.00 -0.10 -0.12 0.00 -1.02 0.00 0.00 52.86 51.63 2kfp s ASN 2 Cb 0.00 -1.53 0.11 0.00 0.02 0.00 0.00 41.25 39.85 2kfp s ASN 2 CO 0.00 0.04 1.81 -0.09 0.02 0.00 0.00 177.10 178.88 2kfp h ARG 3 N 2.12 0.91 -0.77 -0.60 2.43 -2.00 -1.93 114.38 114.54 2kfp h ARG 3 Ca -0.48 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 58.54 2kfp h ARG 3 Cb 1.21 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 2kfp h ARG 3 CO 0.63 0.67 0.28 0.37 -1.51 0.00 0.00 179.97 180.41 2kfp h GLN 4 N 0.90 1.16 -0.63 0.20 -0.00 -1.99 -2.11 115.11 112.64 2kfp h GLN 4 Ca 0.23 -0.23 -0.03 0.00 -0.00 0.00 0.00 58.65 58.63 2kfp h GLN 4 Cb 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 27.48 27.28 2kfp h GLN 4 CO -0.04 0.96 0.28 1.96 0.00 0.00 0.00 178.83 181.99 2kfp h GLN 5 N 1.13 0.92 -0.42 1.69 7.50 -1.85 -0.55 115.11 123.53 2kfp h GLN 5 Ca 0.25 -0.15 -0.00 0.00 0.50 0.00 0.00 58.65 59.25 2kfp h GLN 5 Cb 0.26 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 27.61 2kfp h GLN 5 CO -0.02 0.76 0.25 0.35 -1.50 0.00 0.00 178.83 178.67 2kfp h PHE 6 N 0.88 0.56 -0.44 2.96 3.04 -1.01 0.14 116.94 123.06 2kfp h PHE 6 Ca 0.21 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.13 2kfp h PHE 6 Cb 0.16 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.46 2kfp h PHE 6 CO 0.01 0.40 0.17 0.82 -2.02 0.00 0.00 178.31 177.69 2kfp h ILE 7 N 0.55 1.21 -0.34 1.41 2.04 -1.06 0.23 117.51 121.55 2kfp h ILE 7 Ca 0.15 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2kfp h ILE 7 Cb 0.01 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2kfp h ILE 7 CO -0.03 0.23 0.14 -0.78 0.00 0.00 0.00 178.15 177.72 2kfp h ASP 8 N 0.56 0.47 -0.57 1.72 3.58 -0.80 -0.90 116.42 120.48 2kfp h ASP 8 Ca 0.15 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 2kfp h ASP 8 Cb 0.20 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 2kfp h ASP 8 CO -0.01 0.50 0.26 0.22 -2.88 0.00 0.00 179.24 177.33 2kfp h TYR 9 N 0.41 0.84 -0.69 0.28 3.20 -0.50 -1.52 116.97 118.99 2kfp h TYR 9 Ca 0.11 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2kfp h TYR 9 Cb 0.18 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 2kfp h TYR 9 CO -0.01 0.66 0.44 0.00 -1.64 0.00 0.00 178.16 177.61 2kfp h ALA 10 N 1.10 0.88 -0.33 1.82 0.00 -0.23 -0.67 119.26 121.83 2kfp h ALA 10 Ca 0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2kfp h ALA 10 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2kfp h ALA 10 CO -0.02 0.33 0.03 1.96 0.00 0.00 0.00 179.25 181.55 2kfp h GLN 11 N 0.94 0.56 -0.50 0.00 4.20 -0.86 0.75 115.11 120.20 2kfp h GLN 11 Ca 0.25 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 2kfp h GLN 11 Cb -0.07 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 2kfp h GLN 11 CO -0.05 0.66 0.19 -0.22 -0.67 0.00 0.00 178.83 178.74 2kfp h LYS 12 N 0.37 0.72 0.14 1.46 3.64 -0.99 2.10 116.57 124.00 2kfp h LYS 12 Ca 0.10 -0.11 -0.32 0.00 -1.27 0.00 0.00 60.65 59.05 2kfp h LYS 12 Cb 0.39 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2kfp h LYS 12 CO 0.01 0.60 -1.63 -0.22 -2.27 0.00 0.00 179.45 175.94 2kfp h LYS 13 N 0.71 0.30 -0.14 1.90 3.64 -0.84 -3.38 116.57 118.76 2kfp h LYS 13 Ca 0.17 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2kfp h LYS 13 Cb 0.16 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2kfp h LYS 13 CO -0.02 1.17 0.00 0.66 -2.27 0.00 0.00 179.45 179.00 2kfp n TYR 14 N -3.49 0.18 -2.28 1.91 4.01 0.26 -4.97 117.16 112.78 2kfp n TYR 14 Ca -0.20 -0.33 0.00 0.00 -0.16 0.00 0.00 57.90 57.21 2kfp n TYR 14 Cb 1.06 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 2kfp n TYR 14 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2kfp n ASP 15 N 0.19 -0.87 -4.43 7.72 5.75 0.71 -4.85 116.55 120.76 2kfp n ASP 15 Ca 0.06 0.43 -0.34 0.00 -0.01 0.00 0.00 54.79 54.93 2kfp n ASP 15 Cb 0.29 -0.91 -0.13 0.00 -1.03 0.00 0.00 41.12 39.34 2kfp n ASP 15 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2kfp s THR 16 N -1.82 3.73 0.50 2.12 2.01 -1.26 -5.03 115.64 115.89 2kfp s THR 16 Ca 0.00 -0.40 -0.10 0.00 0.31 0.00 0.00 61.69 61.50 2kfp s THR 16 Cb 0.00 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 2kfp s THR 16 CO 0.00 0.46 0.88 -1.59 -0.69 0.00 0.00 174.62 173.68 2kfp s LYS 17 N 0.80 3.69 0.21 4.92 0.00 -1.26 -4.42 119.74 123.68 2kfp s LYS 17 Ca -0.01 0.54 -0.31 0.00 0.00 0.00 0.00 55.97 56.19 2kfp s LYS 17 Cb -0.14 -2.26 -0.15 0.00 0.00 0.00 0.00 37.83 35.27 2kfp s LYS 17 CO 0.02 -0.27 1.16 -2.30 0.00 0.00 0.00 175.35 173.96 2kfp n PRO 18 N -2.02 1.32 -5.17 1.78 -0.02 -1.26 -4.93 135.00 124.70 2kfp n PRO 18 Ca 0.03 0.47 -0.31 0.00 -2.02 0.00 0.00 63.50 61.67 2kfp n PRO 18 Cb 0.54 -1.96 -0.15 0.00 -0.02 0.00 0.00 33.50 31.92 2kfp n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kfp s ASP 19 N -0.09 3.34 -0.41 2.55 1.01 -0.95 -4.90 116.67 117.22 2kfp s ASP 19 Ca 0.69 -0.39 0.02 0.00 0.71 0.00 0.00 52.55 53.58 2kfp s ASP 19 Cb -0.79 -0.49 0.15 0.00 1.01 0.00 0.00 42.92 42.80 2kfp s ASP 19 CO 0.54 0.32 0.28 -1.00 0.21 0.00 0.00 175.17 175.52 2kfp s HIS 20 N -0.66 1.25 0.28 4.23 3.76 -1.26 -0.17 115.29 122.72 2kfp s HIS 20 Ca 0.11 -2.14 0.00 0.00 -0.15 0.00 0.00 55.06 52.88 2kfp s HIS 20 Cb -0.10 -1.19 0.53 0.00 1.11 0.00 0.00 32.58 32.93 2kfp s HIS 20 CO -0.00 -0.80 1.84 -1.35 -0.85 0.00 0.00 174.74 173.57 2kfp h PRO 21 N 6.32 0.96 -5.76 8.40 0.11 -1.94 -3.40 132.00 136.70 2kfp h PRO 21 Ca 0.14 -0.06 -0.58 0.00 0.11 0.00 0.00 66.00 65.61 2kfp h PRO 21 Cb 0.93 -0.22 -0.08 0.00 0.11 0.00 0.00 31.00 31.74 2kfp h PRO 21 CO 0.37 0.63 -0.14 -1.58 -0.21 0.00 0.00 178.00 177.07 2kfp s TRP 22 N -5.97 3.53 -0.54 0.65 0.51 -1.26 -4.95 118.94 110.91 2kfp s TRP 22 Ca -0.12 0.90 0.24 0.00 -2.12 0.00 0.00 56.10 55.00 2kfp s TRP 22 Cb 0.22 -2.53 0.40 0.00 -0.81 0.00 0.00 33.47 30.74 2kfp s TRP 22 CO 0.81 0.20 1.46 1.05 -0.51 0.00 0.00 176.95 179.95 2kfp h GLU 23 N 6.58 0.00 -0.00 4.98 4.11 -2.02 -3.19 114.58 125.03 2kfp h GLU 23 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2kfp h GLU 23 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kfp h GLU 23 CO 0.75 0.00 -0.05 1.63 0.07 0.00 0.00 179.01 181.41 2kfp n LYS 24 N -2.51 0.54 -3.10 1.06 5.02 -1.26 -3.98 118.16 113.93 2kfp n LYS 24 Ca 0.03 -0.08 -0.24 0.00 -2.02 0.00 0.00 58.31 56.01 2kfp n LYS 24 Cb 0.48 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.95 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 2.26 0.30 2.13 3.72 -1.21 -4.89 117.46 118.61 2kfp n PHE 25 Ca 0.15 -3.92 0.18 0.00 -0.05 0.00 0.00 57.45 53.81 2kfp n PHE 25 Cb 0.25 -0.46 0.82 0.00 -0.94 0.00 0.00 39.48 39.15 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 3.21 0.00 -0.00 -1.08 0.13 -1.75 -1.83 132.00 130.69 2kfp h PRO 26 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2kfp h PRO 26 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2kfp h PRO 26 CO 0.68 0.00 -0.03 -0.25 -0.23 0.00 0.00 178.00 178.16 2kfp n ASP 27 N -2.99 0.13 -4.79 1.44 8.00 -1.26 -4.75 116.55 112.33 2kfp n ASP 27 Ca -0.00 -0.32 -0.36 0.00 0.71 0.00 0.00 54.79 54.82 2kfp n ASP 27 Cb 0.22 -0.20 -0.07 0.00 -0.02 0.00 0.00 41.12 41.05 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 -2.51 3.50 -0.07 1.24 1.51 -0.69 -4.22 117.35 116.11 2kfp s TYR 28 Ca 0.30 0.46 0.05 0.00 -1.01 0.00 0.00 57.07 56.87 2kfp s TYR 28 Cb 0.20 -2.11 -0.00 0.00 -0.11 0.00 0.00 41.96 39.94 2kfp s TYR 28 CO 0.46 0.46 -0.22 0.00 -1.11 0.00 0.00 175.55 175.14 2kfp s ALA 29 N -0.19 1.99 -0.15 3.71 0.00 -0.30 -4.65 121.76 122.17 2kfp s ALA 29 Ca 0.12 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 2kfp s ALA 29 Cb -0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 2kfp s ALA 29 CO 0.01 0.32 -0.11 0.08 0.00 0.00 0.00 175.76 176.07 2kfp s VAL 30 N 0.12 3.12 -0.19 0.00 1.01 0.76 -1.51 120.40 123.71 2kfp s VAL 30 Ca -0.10 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 2kfp s VAL 30 Cb -0.15 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 2kfp s VAL 30 CO 0.05 0.50 -0.07 -0.36 0.00 0.00 0.00 175.10 175.22 2kfp s PHE 31 N 0.62 2.92 -0.10 5.22 0.08 0.99 -2.25 117.98 125.46 2kfp s PHE 31 Ca -0.06 -0.88 -0.16 0.00 0.12 0.00 0.00 56.93 55.95 2kfp s PHE 31 Cb -0.15 -2.03 0.04 0.00 -0.57 0.00 0.00 43.02 40.31 2kfp s PHE 31 CO 0.03 -0.46 0.40 -0.98 -0.10 0.00 0.00 175.22 174.11 2kfp s ARG 32 N 1.15 0.59 -0.23 0.44 1.70 -1.26 -1.17 118.95 120.17 2kfp s ARG 32 Ca 0.02 0.31 -0.13 0.00 -0.47 0.00 0.00 55.73 55.46 2kfp s ARG 32 Cb -0.14 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.47 2kfp s ARG 32 CO -0.02 -0.12 0.26 -1.58 -1.08 0.00 0.00 175.30 172.76 2kfp s HIS 33 N -0.39 3.32 -0.88 5.89 2.46 -1.19 -4.94 115.29 119.55 2kfp s HIS 33 Ca -0.05 0.35 0.28 0.00 0.47 0.00 0.00 55.06 56.11 2kfp s HIS 33 Cb -0.03 -2.39 1.05 0.00 -0.13 0.00 0.00 32.58 31.08 2kfp s HIS 33 CO 0.02 -0.01 1.86 -1.13 -2.47 0.00 0.00 174.74 173.02 2kfp n SER 34 N 4.52 0.36 -0.13 9.88 3.41 -1.26 -0.87 113.62 129.53 2kfp n SER 34 Ca -0.12 0.53 -0.09 0.00 -0.26 0.00 0.00 58.87 58.93 2kfp n SER 34 Cb 0.52 -0.63 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 2kfp n SER 34 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2kfp h ASP 35 N 0.00 0.53 0.00 4.04 1.82 -1.99 -3.35 116.42 117.47 2kfp h ASP 35 Ca 0.00 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 2kfp h ASP 35 Cb 0.60 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.48 2kfp h ASP 35 CO 0.00 0.54 -0.26 -0.46 -1.61 0.00 0.00 179.24 177.45 2kfp n ASN 36 N -4.67 1.29 0.00 2.28 0.23 -1.25 -4.98 115.26 108.17 2kfp n ASN 36 Ca -0.00 -0.28 0.00 0.00 -0.53 0.00 0.00 54.58 53.77 2kfp n ASN 36 Cb 0.13 0.82 0.00 0.00 -2.08 0.00 0.00 39.78 38.65 2kfp n ASN 36 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2kfp n ASP 37 N -0.95 -2.91 -0.07 0.53 2.03 -0.05 -4.69 116.55 110.43 2kfp n ASP 37 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 2kfp n ASP 37 Cb 0.00 -2.90 0.12 0.00 -0.72 0.00 0.00 41.12 37.62 2kfp n ASP 37 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kfp n LYS 38 N -0.45 0.20 -3.03 -0.67 4.76 -1.26 -4.78 118.16 112.93 2kfp n LYS 38 Ca 0.00 -0.14 -0.43 0.00 -2.87 0.00 0.00 58.31 54.86 2kfp n LYS 38 Cb 0.24 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.88 2kfp n LYS 38 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 2kfp s TRP 39 N -2.89 2.99 -0.17 2.13 -0.11 -1.26 -4.79 118.94 114.83 2kfp s TRP 39 Ca 0.12 -0.08 -0.05 0.00 1.22 0.00 0.00 56.10 57.31 2kfp s TRP 39 Cb 0.17 -3.60 -0.03 0.00 -1.50 0.00 0.00 33.47 28.51 2kfp s TRP 39 CO 0.72 -1.02 -0.01 0.71 -4.62 0.00 0.00 176.95 172.73 2kfp s TYR 40 N 3.12 3.07 -0.18 5.86 1.51 -1.26 -3.19 117.35 126.28 2kfp s TYR 40 Ca 0.25 -0.26 -0.08 0.00 -1.01 0.00 0.00 57.07 55.97 2kfp s TYR 40 Cb -0.14 -2.01 0.08 0.00 -0.11 0.00 0.00 41.96 39.77 2kfp s TYR 40 CO 0.19 -0.05 0.40 0.00 -1.11 0.00 0.00 175.55 174.98 2kfp s ALA 41 N 0.52 -1.05 -0.08 3.71 0.00 -0.31 -4.00 121.76 120.55 2kfp s ALA 41 Ca -0.01 1.45 0.03 0.00 0.00 0.00 0.00 51.96 53.43 2kfp s ALA 41 Cb -0.14 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 21.85 2kfp s ALA 41 CO 0.02 -0.55 -0.18 -1.17 0.00 0.00 0.00 175.76 173.88 2kfp s LEU 42 N 2.12 1.87 -0.08 0.00 2.96 -1.22 -0.01 118.68 124.32 2kfp s LEU 42 Ca -0.05 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 2kfp s LEU 42 Cb -0.11 -1.12 0.01 0.00 0.50 0.00 0.00 46.19 45.48 2kfp s LEU 42 CO -0.12 0.10 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.65 2kfp s LEU 43 N 0.47 1.70 0.18 -0.68 0.20 -0.57 -1.58 118.68 118.39 2kfp s LEU 43 Ca -0.16 -0.36 -0.23 0.00 0.69 0.00 0.00 54.13 54.07 2kfp s LEU 43 Cb -0.17 -0.96 0.06 0.00 -0.43 0.00 0.00 46.19 44.69 2kfp s LEU 43 CO 0.06 0.04 0.65 0.00 -0.29 0.00 0.00 176.35 176.81 2kfp s MET 44 N 0.75 1.39 -0.31 1.98 0.23 -1.10 -1.14 119.30 121.10 2kfp s MET 44 Ca -0.12 -0.60 -0.12 0.00 -1.03 0.00 0.00 55.69 53.82 2kfp s MET 44 Cb -0.16 0.58 -0.03 0.00 -1.53 0.00 0.00 34.83 33.70 2kfp s MET 44 CO 0.03 -0.62 0.21 -0.51 -2.03 0.00 0.00 175.02 172.10 2kfp s ASP 45 N -2.79 6.01 0.03 -1.18 1.01 -1.26 -2.59 116.67 115.89 2kfp s ASP 45 Ca 0.04 -0.25 0.03 0.00 0.71 0.00 0.00 52.55 53.07 2kfp s ASP 45 Cb -0.02 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 2kfp s ASP 45 CO -0.07 -0.15 -0.09 0.27 0.21 0.00 0.00 175.17 175.34 2kfp s ILE 46 N 1.73 0.65 0.64 0.77 -4.36 -1.01 -4.97 121.20 114.65 2kfp s ILE 46 Ca 0.06 -0.78 -0.17 0.00 -0.26 0.00 0.00 60.65 59.50 2kfp s ILE 46 Cb -0.17 -0.63 -0.01 0.00 1.25 0.00 0.00 42.46 42.91 2kfp s ILE 46 CO 0.10 -0.12 1.22 -2.16 0.24 0.00 0.00 174.94 174.23 2kfp s PRO 47 N -0.98 2.67 0.60 0.37 0.04 -1.26 -2.57 135.00 133.87 2kfp s PRO 47 Ca -0.03 1.83 0.31 0.00 0.04 0.00 0.00 61.00 63.15 2kfp s PRO 47 Cb -0.07 -1.89 1.87 0.00 0.04 0.00 0.00 34.50 34.45 2kfp s PRO 47 CO 0.00 -1.44 2.26 0.00 0.04 0.00 0.00 177.00 177.87 2kfp h ALA 48 N 0.48 1.48 0.00 8.56 0.00 -0.61 -0.62 119.26 128.54 2kfp h ALA 48 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kfp h ALA 48 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2kfp h ALA 48 CO 0.53 0.00 0.00 1.05 0.00 0.00 0.00 179.25 180.84 2kfp h GLU 49 N 0.00 0.00 0.00 0.00 4.11 -0.81 -2.19 114.58 115.69 2kfp h GLU 49 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kfp h GLU 49 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2kfp h GLU 49 CO 0.00 0.00 -0.31 1.63 0.07 0.00 0.00 179.01 180.40 2kfp n LYS 50 N -2.76 0.27 -0.31 1.06 4.76 -0.24 -3.54 118.16 117.40 2kfp n LYS 50 Ca -0.00 0.15 0.09 0.00 -2.87 0.00 0.00 58.31 55.67 2kfp n LYS 50 Cb 0.19 -1.74 0.25 0.00 -1.84 0.00 0.00 35.03 31.89 2kfp n LYS 50 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2kfp n ILE 51 N -2.16 1.14 -0.02 -0.18 -5.35 -0.88 -4.93 119.36 106.98 2kfp n ILE 51 Ca 0.04 -1.06 0.00 0.00 -0.27 0.00 0.00 62.75 61.47 2kfp n ILE 51 Cb 0.43 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.76 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 0.98 0.83 3.73 3.28 0.00 -1.22 -5.02 105.19 107.78 2kfp n GLY 52 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.30 4.46 -0.80 -0.61 1.01 -0.90 -4.95 121.20 117.11 2kfp s ILE 53 Ca 0.00 2.07 -0.25 0.00 0.00 0.00 0.00 60.65 62.47 2kfp s ILE 53 Cb 0.00 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.15 2kfp s ILE 53 CO 0.00 0.33 1.64 0.21 0.00 0.00 0.00 174.94 177.12 2kfp s ASN 54 N -0.11 5.73 0.00 3.58 2.47 -1.26 -3.23 114.94 122.12 2kfp s ASN 54 Ca 0.46 -0.47 0.00 0.00 0.42 0.00 0.00 52.86 53.27 2kfp s ASN 54 Cb -0.24 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.01 2kfp s ASN 54 CO 0.30 -2.14 0.00 0.61 -3.72 0.00 0.00 177.10 172.15 2kfp n GLY 55 N 6.12 1.61 0.85 1.21 0.00 -1.26 -4.98 105.19 108.74 2kfp n GLY 55 Ca 0.23 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.50 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 2.47 -4.73 1.61 5.75 -1.26 -0.57 116.55 119.82 2kfp n ASP 56 Ca 0.00 -2.09 -0.32 0.00 -0.01 0.00 0.00 54.79 52.37 2kfp n ASP 56 Cb 0.00 -0.33 0.11 0.00 -1.03 0.00 0.00 41.12 39.86 2kfp n ASP 56 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2kfp s LYS 57 N -1.54 1.93 -0.15 0.11 -0.14 -1.26 -4.61 119.74 114.08 2kfp s LYS 57 Ca 0.28 1.48 -0.08 0.00 -1.36 0.00 0.00 55.97 56.29 2kfp s LYS 57 Cb 0.16 -1.84 -0.04 0.00 -1.68 0.00 0.00 37.83 34.43 2kfp s LYS 57 CO 0.17 -1.94 0.13 1.03 -0.76 0.00 0.00 175.35 173.98 2kfp s ARG 58 N -4.43 3.72 0.07 1.68 0.52 -1.26 -0.24 118.95 119.00 2kfp s ARG 58 Ca 0.67 -0.18 0.01 0.00 -0.52 0.00 0.00 55.73 55.71 2kfp s ARG 58 Cb -0.23 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 2kfp s ARG 58 CO 0.51 0.58 -0.05 0.14 0.02 0.00 0.00 175.30 176.50 2kfp s VAL 59 N -0.47 0.46 -0.10 3.52 -7.23 -1.06 -4.90 120.40 110.63 2kfp s VAL 59 Ca 0.12 -1.64 -0.08 0.00 -1.81 0.00 0.00 61.98 58.57 2kfp s VAL 59 Cb -0.12 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 2kfp s VAL 59 CO 0.02 -0.79 0.18 -1.81 -0.31 0.00 0.00 175.10 172.39 2kfp s ASP 60 N -2.59 6.45 0.05 4.85 1.01 -1.26 -2.39 116.67 122.79 2kfp s ASP 60 Ca 0.04 0.53 0.03 0.00 0.71 0.00 0.00 52.55 53.86 2kfp s ASP 60 Cb 0.02 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.83 2kfp s ASP 60 CO -0.05 0.39 -0.09 0.68 0.21 0.00 0.00 175.17 176.31 2kfp s VAL 61 N -1.05 0.67 0.16 -1.27 -7.23 -1.07 -2.28 120.40 108.33 2kfp s VAL 61 Ca 0.17 -1.21 0.04 0.00 -1.81 0.00 0.00 61.98 59.17 2kfp s VAL 61 Cb -0.13 -0.80 -0.05 0.00 0.56 0.00 0.00 36.38 35.97 2kfp s VAL 61 CO 0.06 -0.40 -0.08 0.27 -0.31 0.00 0.00 175.10 174.63 2kfp s ILE 62 N -1.58 1.17 -0.00 -0.62 -4.36 -1.06 -2.72 121.20 112.02 2kfp s ILE 62 Ca -0.06 -2.06 0.03 0.00 -0.26 0.00 0.00 60.65 58.29 2kfp s ILE 62 Cb -0.09 -1.95 -0.01 0.00 1.25 0.00 0.00 42.46 41.67 2kfp s ILE 62 CO 0.00 -0.66 -0.08 -0.62 0.24 0.00 0.00 174.94 173.82 2kfp s ASP 63 N -3.20 0.98 0.13 4.36 -1.08 -0.61 -0.99 116.67 116.24 2kfp s ASP 63 Ca 0.19 -0.18 0.04 0.00 -0.52 0.00 0.00 52.55 52.08 2kfp s ASP 63 Cb 0.03 -0.10 -0.04 0.00 -1.46 0.00 0.00 42.92 41.35 2kfp s ASP 63 CO 0.02 0.08 -0.09 -1.48 0.52 0.00 0.00 175.17 174.22 2kfp s LEU 64 N -0.30 2.50 0.07 -1.34 0.05 -1.08 -3.39 118.68 115.20 2kfp s LEU 64 Ca 0.02 -0.98 -0.21 0.00 0.05 0.00 0.00 54.13 53.02 2kfp s LEU 64 Cb -0.04 -0.27 -0.07 0.00 -2.05 0.00 0.00 46.19 43.77 2kfp s LEU 64 CO -0.00 -0.35 0.61 -0.75 -0.55 0.00 0.00 176.35 175.30 2kfp s LYS 65 N -3.60 4.28 0.08 1.48 2.20 -1.26 -2.71 119.74 120.21 2kfp s LYS 65 Ca 0.14 0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 56.54 2kfp s LYS 65 Cb 0.02 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 2kfp s LYS 65 CO -0.01 0.57 0.00 0.14 -0.36 0.00 0.00 175.35 175.70 2kfp s VAL 66 N -0.92 0.18 0.57 4.02 -7.23 0.95 -4.29 120.40 113.67 2kfp s VAL 66 Ca 0.31 -1.84 -0.12 0.00 -1.81 0.00 0.00 61.98 58.51 2kfp s VAL 66 Cb -0.20 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 2kfp s VAL 66 CO 0.20 -0.80 0.99 -1.10 -0.31 0.00 0.00 175.10 174.07 2kfp s GLN 67 N -3.97 3.72 0.58 4.82 -0.21 -1.26 -4.45 119.66 118.89 2kfp s GLN 67 Ca 0.13 0.77 0.32 0.00 0.02 0.00 0.00 55.36 56.60 2kfp s GLN 67 Cb 0.08 -2.13 1.82 0.00 1.00 0.00 0.00 33.01 33.77 2kfp s GLN 67 CO -0.06 -0.43 2.21 -1.00 -2.12 0.00 0.00 175.29 173.90 2kfp h PRO 68 N 0.19 0.00 0.01 2.91 0.13 -1.96 0.12 132.00 133.39 2kfp h PRO 68 Ca -0.45 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.39 2kfp h PRO 68 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2kfp h PRO 68 CO 0.62 0.04 -1.64 0.93 -0.23 0.00 0.00 178.00 177.71 2kfp h GLU 69 N 0.00 0.02 -0.02 0.86 4.39 -1.94 -3.32 114.58 114.57 2kfp h GLU 69 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kfp h GLU 69 Cb 0.12 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2kfp h GLU 69 CO 0.00 0.61 -0.01 1.28 -1.16 0.00 0.00 179.01 179.74 2kfp n LEU 70 N -3.12 1.95 0.14 1.33 4.77 -0.85 -4.07 117.00 117.16 2kfp n LEU 70 Ca -0.16 -0.65 0.03 0.00 -0.03 0.00 0.00 56.01 55.20 2kfp n LEU 70 Cb 1.04 -0.00 0.42 0.00 -2.33 0.00 0.00 43.42 42.55 2kfp n LEU 70 CO 0.45 0.33 0.90 1.62 -1.33 0.00 0.00 177.39 179.36 2kfp h VAL 71 N 3.04 1.16 0.00 4.08 3.04 -0.90 -1.51 116.25 125.17 2kfp h VAL 71 Ca 0.00 -0.71 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2kfp h VAL 71 Cb 0.65 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 2kfp h VAL 71 CO 0.00 0.22 -0.04 1.23 -1.01 0.00 0.00 177.57 177.97 2kfp h GLY 72 N 0.67 0.00 0.55 3.17 0.00 -1.81 -2.59 103.07 103.07 2kfp h GLY 72 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2kfp h GLY 72 CO 0.02 0.00 -0.12 1.48 0.00 0.00 0.00 176.54 177.92 2kfp h SER 73 N 0.00 -0.28 0.87 0.19 4.64 -1.51 -2.81 113.55 114.67 2kfp h SER 73 Ca 0.00 -0.25 -0.20 0.00 -0.47 0.00 0.00 61.79 60.87 2kfp h SER 73 Cb 0.77 0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 2kfp h SER 73 CO 0.00 0.16 -1.21 0.17 -0.87 0.00 0.00 176.83 175.08 2kfp h LEU 74 N -0.78 0.00 -1.47 5.97 -0.00 -1.68 -3.31 115.31 114.05 2kfp h LEU 74 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 2kfp h LEU 74 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.16 2kfp h LEU 74 CO 0.05 0.80 -0.09 -0.09 -0.00 0.00 0.00 178.44 179.12 2kfp h ARG 75 N 0.00 0.00 -0.00 0.17 2.43 -1.57 -2.36 114.38 113.05 2kfp h ARG 75 Ca -0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2kfp h ARG 75 Cb 1.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 2kfp h ARG 75 CO 0.08 0.09 -0.41 0.36 -1.51 0.00 0.00 179.97 178.59 2kfp n LYS 76 N -3.26 0.35 -2.92 0.20 -0.00 -1.06 -4.89 118.16 106.57 2kfp n LYS 76 Ca -0.00 -0.20 -0.33 0.00 -0.00 0.00 0.00 58.31 57.78 2kfp n LYS 76 Cb 0.33 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 33.80 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 -2.79 4.13 0.43 -1.58 1.02 -0.89 -5.03 119.74 115.02 2kfp s LYS 77 Ca 0.16 0.94 -0.25 0.00 0.02 0.00 0.00 55.97 56.85 2kfp s LYS 77 Cb 0.18 -2.27 -0.08 0.00 -0.52 0.00 0.00 37.83 35.14 2kfp s LYS 77 CO 0.63 0.03 1.22 -1.25 -0.92 0.00 0.00 175.35 175.06 2kfp s PRO 78 N -3.16 3.89 0.00 -1.68 0.04 -1.26 -3.09 135.00 129.74 2kfp s PRO 78 Ca 0.59 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.58 2kfp s PRO 78 Cb -0.09 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.84 2kfp s PRO 78 CO 0.16 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.11 2kfp n GLY 79 N 0.61 2.66 3.69 0.56 0.00 -1.26 -4.74 105.19 106.71 2kfp n GLY 79 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.13 5.10 -0.15 -0.61 1.09 -1.18 -2.12 121.20 121.21 2kfp s ILE 80 Ca 0.00 1.10 -0.00 0.00 -1.10 0.00 0.00 60.65 60.65 2kfp s ILE 80 Cb 0.00 -3.90 -0.01 0.00 -1.06 0.00 0.00 42.46 37.50 2kfp s ILE 80 CO 0.00 0.23 -0.14 -0.31 -0.10 0.00 0.00 174.94 174.62 2kfp s TYR 81 N 1.19 2.80 0.49 3.97 1.51 -0.24 -4.91 117.35 122.16 2kfp s TYR 81 Ca 0.28 -0.94 -0.21 0.00 -1.01 0.00 0.00 57.07 55.19 2kfp s TYR 81 Cb -0.16 -1.89 -0.09 0.00 -0.11 0.00 0.00 41.96 39.71 2kfp s TYR 81 CO 0.12 -0.42 0.88 -2.30 -1.11 0.00 0.00 175.55 172.72 2kfp n PRO 82 N 3.98 1.03 -1.84 -1.71 -0.02 -1.26 -2.02 135.00 133.16 2kfp n PRO 82 Ca -0.19 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.26 2kfp n PRO 82 Cb 0.52 -1.98 -0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2kfp n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kfp s ALA 83 N -1.43 3.53 -2.77 3.55 0.00 -1.26 -4.51 121.76 118.88 2kfp s ALA 83 Ca 0.67 1.53 0.24 0.00 0.00 0.00 0.00 51.96 54.41 2kfp s ALA 83 Cb -0.50 -3.59 0.39 0.00 0.00 0.00 0.00 23.12 19.42 2kfp s ALA 83 CO 0.54 -1.02 1.38 2.48 0.00 0.00 0.00 175.76 179.13 2kfp n TYR 84 N 0.43 0.13 -0.58 0.00 0.18 -1.26 -4.82 117.16 111.24 2kfp n TYR 84 Ca 0.01 -0.07 -0.21 0.00 1.88 0.00 0.00 57.90 59.51 2kfp n TYR 84 Cb 0.40 0.00 0.19 0.00 -0.38 0.00 0.00 39.34 39.55 2kfp n TYR 84 CO 0.00 0.00 0.00 0.72 -2.08 0.00 0.00 176.86 175.50 2kfp n HIS 85 N 1.17 -3.48 -0.23 -3.48 8.25 -1.26 -4.91 115.22 111.27 2kfp n HIS 85 Ca 0.16 -0.65 -0.08 0.00 -0.26 0.00 0.00 57.72 56.90 2kfp n HIS 85 Cb 0.55 -0.83 0.04 0.00 1.12 0.00 0.00 29.99 30.87 2kfp n HIS 85 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2kfp h MET 86 N 0.00 1.03 -5.70 -0.41 2.86 -2.03 -3.42 114.93 107.26 2kfp h MET 86 Ca -0.28 -0.23 -0.64 0.00 -2.06 0.00 0.00 59.70 56.48 2kfp h MET 86 Cb 0.90 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 32.35 2kfp h MET 86 CO 0.18 0.91 -0.38 -0.80 1.06 0.00 0.00 176.91 177.88 2kfp s ASN 87 N -6.32 6.50 -0.40 1.22 0.01 -1.26 -5.03 114.94 109.67 2kfp s ASN 87 Ca -0.12 0.60 0.08 0.00 -0.71 0.00 0.00 52.86 52.70 2kfp s ASN 87 Cb 0.14 -2.14 0.25 0.00 0.41 0.00 0.00 41.25 39.91 2kfp s ASN 87 CO 0.83 0.33 0.54 1.17 -1.51 0.00 0.00 177.10 178.46 2kfp n LYS 88 N 2.25 0.70 0.07 -0.60 4.81 -1.26 -4.78 118.16 119.34 2kfp n LYS 88 Ca -0.17 -3.12 0.00 0.00 -0.87 0.00 0.00 58.31 54.15 2kfp n LYS 88 Cb 0.54 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 34.35 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 1.46 0.00 -0.00 1.64 1.02 -1.26 -4.90 120.64 118.60 2kfp n GLU 89 Ca 0.20 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.45 2kfp n GLU 89 Cb 0.54 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.82 2kfp n GLU 89 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kfp n HIS 90 N -2.93 0.04 -3.94 -0.32 8.25 -1.26 -4.58 115.22 110.48 2kfp n HIS 90 Ca 0.00 0.01 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 2kfp n HIS 90 Cb 0.00 -0.31 -0.13 0.00 1.12 0.00 0.00 29.99 30.67 2kfp n HIS 90 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kfp s TRP 91 N -3.29 3.04 -0.03 4.41 0.51 -1.26 -0.03 118.94 122.29 2kfp s TRP 91 Ca -0.01 -0.52 0.05 0.00 -2.12 0.00 0.00 56.10 53.50 2kfp s TRP 91 Cb 0.15 -2.14 -0.01 0.00 -0.81 0.00 0.00 33.47 30.66 2kfp s TRP 91 CO 0.88 -0.33 -0.18 0.42 -0.51 0.00 0.00 176.95 177.24 2kfp s ILE 92 N 1.27 1.44 0.05 2.03 -1.09 -1.10 -4.06 121.20 119.75 2kfp s ILE 92 Ca 0.04 -0.74 -0.10 0.00 -2.23 0.00 0.00 60.65 57.62 2kfp s ILE 92 Cb -0.15 -1.22 -0.05 0.00 -1.58 0.00 0.00 42.46 39.46 2kfp s ILE 92 CO 0.01 0.41 0.36 -0.89 -1.23 0.00 0.00 174.94 173.61 2kfp s THR 93 N -0.14 5.15 -0.05 2.92 2.01 -0.86 -2.62 115.64 122.06 2kfp s THR 93 Ca 0.00 0.43 0.06 0.00 0.31 0.00 0.00 61.69 62.49 2kfp s THR 93 Cb -0.10 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 2kfp s THR 93 CO 0.01 0.35 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.36 2kfp s VAL 94 N -1.33 1.99 -0.38 3.82 1.01 -0.16 -1.08 120.40 124.28 2kfp s VAL 94 Ca 0.30 -1.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 2kfp s VAL 94 Cb -0.14 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.58 2kfp s VAL 94 CO 0.17 0.56 0.80 -0.22 0.00 0.00 0.00 175.10 176.40 2kfp s LEU 95 N -0.27 4.13 0.19 3.92 2.96 -0.90 -2.57 118.68 126.14 2kfp s LEU 95 Ca 0.00 0.30 -0.09 0.00 -0.22 0.00 0.00 54.13 54.12 2kfp s LEU 95 Cb -0.12 -3.04 0.10 0.00 0.50 0.00 0.00 46.19 43.62 2kfp s LEU 95 CO 0.02 -0.78 1.70 -0.07 -1.32 0.00 0.00 176.35 175.90 2kfp h LEU 96 N 9.85 1.01 0.00 -0.68 3.38 -1.78 -0.64 115.31 126.45 2kfp h LEU 96 Ca -0.25 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.49 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 0.93 0.99 0.00 0.59 0.09 0.00 0.00 178.44 181.03 2kfp n ASN 97 N -4.28 0.00 -4.41 -0.43 3.02 -1.26 -4.72 115.26 103.18 2kfp n ASN 97 Ca 0.04 -0.77 -0.29 0.00 -0.03 0.00 0.00 54.58 53.54 2kfp n ASN 97 Cb 0.26 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.77 1.55 0.00 7.41 0.00 -0.25 -4.91 107.32 109.35 2kfp s GLY 98 Ca 0.15 -0.49 0.26 0.00 0.00 0.00 0.00 44.72 44.63 2kfp s GLY 98 CO 0.11 0.22 1.88 -1.55 0.00 0.00 0.00 173.10 173.76 2kfp n PRO 99 N -4.52 0.43 -2.39 2.90 -0.04 -1.26 -4.86 135.00 125.26 2kfp n PRO 99 Ca 0.07 0.04 -0.35 0.00 -0.04 0.00 0.00 63.50 63.22 2kfp n PRO 99 Cb 0.57 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 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 -2.50 3.79 0.70 1.53 2.34 -1.26 -5.04 118.68 118.24 2kfp s LEU 100 Ca 0.26 2.06 -0.05 0.00 0.06 0.00 0.00 54.13 56.46 2kfp s LEU 100 Cb 0.17 -4.57 0.07 0.00 -0.56 0.00 0.00 46.19 41.31 2kfp s LEU 100 CO 0.38 -1.02 1.00 -0.83 -1.06 0.00 0.00 176.35 174.82 2kfp s GLY 101 N -1.88 1.73 0.30 -3.48 0.00 -1.26 -4.82 107.32 97.91 2kfp s GLY 101 Ca 0.70 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 44.31 2kfp s GLY 101 CO 0.24 -0.68 1.85 0.00 0.00 0.00 0.00 173.10 174.51 2kfp h ALA 102 N -0.56 1.27 -0.59 3.20 0.00 -1.98 -2.15 119.26 118.45 2kfp h ALA 102 Ca -0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2kfp h ALA 102 Cb 1.30 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2kfp h ALA 102 CO 0.55 0.51 0.33 1.57 0.00 0.00 0.00 179.25 182.21 2kfp h LYS 103 N 0.74 0.81 -0.56 0.00 2.10 -2.00 -1.68 116.57 115.97 2kfp h LYS 103 Ca 0.17 -0.08 -0.09 0.00 -2.00 0.00 0.00 60.65 58.65 2kfp h LYS 103 Cb 0.27 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 2kfp h LYS 103 CO -0.00 0.60 -0.00 1.49 -2.00 0.00 0.00 179.45 179.53 2kfp h GLU 104 N 0.82 0.97 -0.48 0.07 4.57 -1.77 -2.52 114.58 116.25 2kfp h GLU 104 Ca 0.21 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2kfp h GLU 104 Cb 0.02 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 2kfp h GLU 104 CO -0.04 0.96 0.21 0.82 -1.18 0.00 0.00 179.01 179.78 2kfp h ILE 105 N 0.89 1.20 -0.77 2.32 2.04 -1.10 -2.44 117.51 119.65 2kfp h ILE 105 Ca 0.16 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.44 2kfp h ILE 105 Cb 0.53 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 2kfp h ILE 105 CO 0.03 0.23 0.49 0.45 0.00 0.00 0.00 178.15 179.35 2kfp h HIS 106 N 0.63 0.92 -0.47 1.37 3.86 -1.19 -1.28 115.15 118.99 2kfp h HIS 106 Ca 0.16 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2kfp h HIS 106 Cb 0.17 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 2kfp h HIS 106 CO -0.00 0.54 0.29 0.77 0.86 0.00 0.00 177.93 180.39 2kfp h SER 107 N 0.97 0.56 -0.45 2.45 0.02 -1.13 0.13 113.55 116.10 2kfp h SER 107 Ca 0.30 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 2kfp h SER 107 Cb -0.01 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 2kfp h SER 107 CO -0.10 0.45 0.15 -0.07 -1.14 0.00 0.00 176.83 176.12 2kfp h LEU 108 N 0.63 0.65 -0.47 5.07 3.38 -0.98 -2.71 115.31 120.89 2kfp h LEU 108 Ca 0.17 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2kfp h LEU 108 Cb -0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2kfp h LEU 108 CO -0.03 0.67 0.09 0.40 0.09 0.00 0.00 178.44 179.66 2kfp h ILE 109 N 0.60 1.25 -0.88 1.22 2.04 -0.96 -2.62 117.51 118.15 2kfp h ILE 109 Ca 0.15 -0.89 0.16 0.00 1.00 0.00 0.00 64.86 65.27 2kfp h ILE 109 Cb 0.24 0.91 -0.10 0.00 -0.74 0.00 0.00 36.82 37.14 2kfp h ILE 109 CO -0.01 0.32 0.47 -0.08 0.00 0.00 0.00 178.15 178.85 2kfp h GLU 110 N 0.65 0.63 -0.52 2.37 4.81 -0.53 0.18 114.58 122.17 2kfp h GLU 110 Ca 0.15 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2kfp h GLU 110 Cb 0.37 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2kfp h GLU 110 CO 0.01 0.42 0.25 -0.44 -0.73 0.00 0.00 179.01 178.51 2kfp h ASP 111 N 0.65 0.68 -0.64 1.04 3.32 -1.16 -2.67 116.42 117.64 2kfp h ASP 111 Ca 0.49 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.36 2kfp h ASP 111 Cb 0.71 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 2kfp h ASP 111 CO -0.37 0.62 0.23 -1.28 -1.72 0.00 0.00 179.24 176.71 2kfp h SER 112 N 0.70 0.91 -0.50 6.45 0.87 -0.49 -3.02 113.55 118.47 2kfp h SER 112 Ca 0.18 -0.19 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2kfp h SER 112 Cb 0.12 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 2kfp h SER 112 CO -0.02 0.86 0.30 0.15 -0.53 0.00 0.00 176.83 177.59 2kfp h PHE 113 N 0.91 0.57 -0.85 2.24 3.57 -0.51 -2.39 116.94 120.48 2kfp h PHE 113 Ca 0.21 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 2kfp h PHE 113 Cb 0.25 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 2kfp h PHE 113 CO 0.02 0.33 0.51 1.96 -2.23 0.00 0.00 178.31 178.90 2kfp h GLN 114 N 0.61 1.15 -0.76 1.11 4.20 -1.37 0.42 115.11 120.47 2kfp h GLN 114 Ca 0.20 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 2kfp h GLN 114 Cb 0.00 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 2kfp h GLN 114 CO -0.08 0.80 0.32 -0.07 -0.67 0.00 0.00 178.83 179.13 2kfp h LEU 115 N 1.17 1.04 -2.28 1.46 3.38 -1.32 -1.86 115.31 116.90 2kfp h LEU 115 Ca 0.30 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2kfp h LEU 115 Cb -0.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.43 2kfp h LEU 115 CO -0.06 0.91 0.00 0.35 0.09 0.00 0.00 178.44 179.74 2kfp n THR 116 N -4.33 1.22 -1.48 0.22 -2.24 -0.91 -4.97 114.28 101.79 2kfp n THR 116 Ca 0.07 -0.81 -0.44 0.00 -2.27 0.00 0.00 64.05 60.59 2kfp n THR 116 Cb 0.17 0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.76 0.66 -2.20 -0.78 0.63 0.09 -4.85 116.66 110.98 2kfp n ARG 117 Ca 0.18 0.24 -0.37 0.00 -0.92 0.00 0.00 57.85 56.98 2kfp n ARG 117 Cb 0.64 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 32.08 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 1.73 3.91 0.00 6.15 1.43 -1.26 -4.85 118.68 125.79 2kfp s LEU 118 Ca 0.62 2.32 -0.02 0.00 -1.03 0.00 0.00 54.13 56.02 2kfp s LEU 118 Cb -0.72 -4.36 -0.08 0.00 0.03 0.00 0.00 46.19 41.07 2kfp s LEU 118 CO 0.58 -1.09 1.99 -1.84 0.23 0.00 0.00 176.35 176.22 2kfp n GLU 119 N -0.82 1.02 -1.46 1.70 0.00 -1.26 -4.91 120.64 114.92 2kfp n GLU 119 Ca 0.09 -0.29 0.18 0.00 0.00 0.00 0.00 57.16 57.14 2kfp n GLU 119 Cb 0.49 -1.43 -0.08 0.00 0.00 0.00 0.00 31.44 30.42 2kfp n GLU 119 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2kfp n HIS 120 N 2.03 -3.83 -2.90 -1.84 -0.00 -1.26 -4.83 115.22 102.60 2kfp n HIS 120 Ca 0.13 2.04 -0.33 0.00 -0.00 0.00 0.00 57.72 59.56 2kfp n HIS 120 Cb 0.49 -3.48 -0.06 0.00 -0.00 0.00 0.00 29.99 26.93 2kfp n HIS 120 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kfp s HIS 121 N -3.58 3.35 0.68 1.57 0.09 -1.26 -5.06 115.29 111.07 2kfp s HIS 121 Ca 0.00 1.43 -0.08 0.00 -0.00 0.00 0.00 55.06 56.42 2kfp s HIS 121 Cb 0.00 -2.72 0.04 0.00 -0.00 0.00 0.00 32.58 29.90 2kfp s HIS 121 CO 0.00 -0.06 1.00 -3.38 -0.00 0.00 0.00 174.74 172.30 2kfp s HIS 122 N -2.16 3.08 -0.11 1.40 -3.43 -1.26 -5.01 115.29 107.81 2kfp s HIS 122 Ca 0.59 0.62 -0.30 0.00 -0.80 0.00 0.00 55.06 55.17 2kfp s HIS 122 Cb -0.10 -3.06 -0.02 0.00 -1.43 0.00 0.00 32.58 27.97 2kfp s HIS 122 CO 0.17 -1.22 1.18 -1.01 -2.00 0.00 0.00 174.74 171.85 2kfp s HIS 123 N -3.21 3.15 0.20 0.38 3.76 -1.26 -4.92 115.29 113.39 2kfp s HIS 123 Ca 0.58 1.23 -0.06 0.00 -0.15 0.00 0.00 55.06 56.66 2kfp s HIS 123 Cb -0.11 -3.40 0.13 0.00 1.11 0.00 0.00 32.58 30.31 2kfp s HIS 123 CO 0.46 -1.21 1.59 0.45 -0.85 0.00 0.00 174.74 175.18 2kfp h HIS 124 N 7.61 0.93 0.00 1.40 3.86 -2.06 -3.58 115.15 123.31 2kfp h HIS 124 Ca -0.30 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.68 2kfp h HIS 124 Cb 1.14 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.39 2kfp h HIS 124 CO 0.75 0.98 0.00 0.72 0.86 0.00 0.00 177.93 181.24