#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 6.18 0.19 6.12 0.01 -1.26 -4.73 114.94 121.44 2kfp s ASN 2 Ca 0.00 -0.02 -0.12 0.00 -0.71 0.00 0.00 52.86 52.01 2kfp s ASN 2 Cb 0.00 -1.65 0.10 0.00 0.41 0.00 0.00 41.25 40.12 2kfp s ASN 2 CO 0.00 -0.18 1.80 -0.09 -1.51 0.00 0.00 177.10 177.12 2kfp h ARG 3 N 1.09 0.89 -0.85 -0.60 2.43 -2.00 -2.39 114.38 112.95 2kfp h ARG 3 Ca -0.50 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 58.55 2kfp h ARG 3 Cb 1.24 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 2kfp h ARG 3 CO 0.58 0.67 0.47 0.37 -1.51 0.00 0.00 179.97 180.56 2kfp h GLN 4 N 0.87 1.18 -0.56 0.20 -0.00 -2.01 -2.00 115.11 112.79 2kfp h GLN 4 Ca 0.23 -0.13 -0.05 0.00 -0.00 0.00 0.00 58.65 58.70 2kfp h GLN 4 Cb 0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 27.48 27.26 2kfp h GLN 4 CO -0.04 0.85 0.16 1.96 0.00 0.00 0.00 178.83 181.77 2kfp h GLN 5 N 1.19 0.85 -0.56 1.69 4.20 -1.84 -2.54 115.11 118.09 2kfp h GLN 5 Ca 0.30 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 2kfp h GLN 5 Cb 0.01 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2kfp h GLN 5 CO -0.05 0.74 0.34 0.35 -0.67 0.00 0.00 178.83 179.55 2kfp h PHE 6 N 0.82 0.73 -0.32 2.96 3.57 -0.89 0.35 116.94 124.15 2kfp h PHE 6 Ca 0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2kfp h PHE 6 Cb 0.26 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2kfp h PHE 6 CO 0.02 0.49 0.17 0.82 -2.23 0.00 0.00 178.31 177.58 2kfp h ILE 7 N 0.75 1.14 -0.69 1.41 1.08 -1.20 -0.94 117.51 119.06 2kfp h ILE 7 Ca 0.20 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.26 2kfp h ILE 7 Cb -0.03 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 2kfp h ILE 7 CO -0.04 0.14 0.26 -0.78 -0.69 0.00 0.00 178.15 177.04 2kfp h ASP 8 N 0.39 0.96 -0.01 1.72 1.82 -1.16 0.40 116.42 120.55 2kfp h ASP 8 Ca 0.11 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2kfp h ASP 8 Cb 0.07 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 39.83 2kfp h ASP 8 CO -0.02 0.88 0.01 0.22 -1.61 0.00 0.00 179.24 178.72 2kfp h TYR 9 N 0.98 0.01 -0.35 0.28 3.20 -0.60 0.52 116.97 121.01 2kfp h TYR 9 Ca 0.23 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.97 2kfp h TYR 9 Cb 0.23 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2kfp h TYR 9 CO 0.02 0.04 -0.28 0.00 -1.64 0.00 0.00 178.16 176.29 2kfp h ALA 10 N 0.97 0.84 0.03 1.82 0.00 -0.98 -1.79 119.26 120.15 2kfp h ALA 10 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kfp h ALA 10 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2kfp h ALA 10 CO -0.00 0.64 -0.02 0.37 0.00 0.00 0.00 179.25 180.24 2kfp h GLN 11 N 0.63 -0.04 -0.75 0.00 4.15 0.14 0.60 115.11 119.84 2kfp h GLN 11 Ca 0.08 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.45 2kfp h GLN 11 Cb 0.80 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.47 2kfp h GLN 11 CO 0.07 0.11 0.28 -0.22 -1.93 0.00 0.00 178.83 177.13 2kfp h LYS 12 N -0.19 1.14 -0.13 1.69 3.64 -0.88 2.28 116.57 124.12 2kfp h LYS 12 Ca -0.00 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.10 2kfp h LYS 12 Cb 0.17 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2kfp h LYS 12 CO 0.01 0.94 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.75 2kfp h LYS 13 N 1.09 0.33 0.00 1.90 1.63 -1.07 -3.39 116.57 117.06 2kfp h LYS 13 Ca 0.25 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2kfp h LYS 13 Cb 0.24 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 2kfp h LYS 13 CO -0.02 0.75 -0.78 0.66 -3.45 0.00 0.00 179.45 176.62 2kfp n TYR 14 N -4.55 0.00 -3.50 1.91 4.01 0.21 -5.03 117.16 110.20 2kfp n TYR 14 Ca -0.07 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.46 2kfp n TYR 14 Cb 0.38 0.00 0.08 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 -1.37 -5.21 -4.60 7.72 2.03 0.77 -4.97 116.55 110.92 2kfp n ASP 15 Ca 0.00 -0.53 -0.34 0.00 0.52 0.00 0.00 54.79 54.44 2kfp n ASP 15 Cb 0.00 -4.85 -0.11 0.00 -0.72 0.00 0.00 41.12 35.45 2kfp n ASP 15 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2kfp s THR 16 N -3.31 4.04 0.33 5.18 -1.32 -1.26 -5.00 115.64 114.28 2kfp s THR 16 Ca 0.43 -0.34 -0.02 0.00 -1.21 0.00 0.00 61.69 60.55 2kfp s THR 16 Cb -0.19 -2.71 -0.04 0.00 -1.51 0.00 0.00 72.50 68.05 2kfp s THR 16 CO 0.70 0.56 0.56 -0.54 -2.21 0.00 0.00 174.62 173.69 2kfp s LYS 17 N -0.42 3.56 0.45 7.08 1.02 -1.26 -4.66 119.74 125.51 2kfp s LYS 17 Ca 0.07 -0.13 -0.24 0.00 0.02 0.00 0.00 55.97 55.68 2kfp s LYS 17 Cb -0.12 -2.64 -0.09 0.00 -0.52 0.00 0.00 37.83 34.46 2kfp s LYS 17 CO 0.02 0.16 1.25 -2.30 -0.92 0.00 0.00 175.35 173.56 2kfp n PRO 18 N -1.39 1.79 -4.38 -1.68 -0.02 -1.26 -4.90 135.00 123.15 2kfp n PRO 18 Ca -0.03 0.64 -0.20 0.00 -2.02 0.00 0.00 63.50 61.89 2kfp n PRO 18 Cb 0.55 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 31.50 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 -0.65 1.20 -0.45 2.55 1.01 -0.84 -4.90 116.67 114.60 2kfp s ASP 19 Ca 0.64 -0.19 0.03 0.00 0.71 0.00 0.00 52.55 53.74 2kfp s ASP 19 Cb -0.49 -0.33 0.15 0.00 1.01 0.00 0.00 42.92 43.27 2kfp s ASP 19 CO 0.56 0.06 0.31 -1.38 0.21 0.00 0.00 175.17 174.93 2kfp s HIS 20 N 0.21 1.67 0.40 4.23 -3.43 -1.26 0.36 115.29 117.47 2kfp s HIS 20 Ca -0.03 -2.37 0.10 0.00 -0.80 0.00 0.00 55.06 51.96 2kfp s HIS 20 Cb -0.09 -1.49 0.90 0.00 -1.43 0.00 0.00 32.58 30.47 2kfp s HIS 20 CO 0.00 -0.77 1.97 -1.35 -2.00 0.00 0.00 174.74 172.59 2kfp h PRO 21 N 6.21 0.55 -6.04 -0.38 0.11 -1.93 -3.38 132.00 127.15 2kfp h PRO 21 Ca 0.12 -0.03 -0.61 0.00 0.11 0.00 0.00 66.00 65.59 2kfp h PRO 21 Cb 0.90 -0.12 -0.11 0.00 0.11 0.00 0.00 31.00 31.78 2kfp h PRO 21 CO 0.44 0.36 0.52 -1.58 -0.21 0.00 0.00 178.00 177.53 2kfp s TRP 22 N -5.52 2.97 0.33 0.65 0.51 -1.26 -4.90 118.94 111.71 2kfp s TRP 22 Ca -0.09 0.39 0.10 0.00 -2.12 0.00 0.00 56.10 54.38 2kfp s TRP 22 Cb 0.20 -3.83 0.57 0.00 -0.81 0.00 0.00 33.47 29.60 2kfp s TRP 22 CO 0.76 -1.02 1.75 1.05 -0.51 0.00 0.00 176.95 178.98 2kfp h GLU 23 N 8.94 0.11 0.00 4.98 4.11 -2.03 -2.31 114.58 128.39 2kfp h GLU 23 Ca -0.24 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2kfp h GLU 23 Cb 1.08 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2kfp h GLU 23 CO 1.00 0.50 0.00 1.63 0.07 0.00 0.00 179.01 182.21 2kfp n LYS 24 N -4.04 0.20 -3.28 1.06 5.02 -1.26 -3.44 118.16 112.42 2kfp n LYS 24 Ca -0.02 0.14 -0.25 0.00 -2.02 0.00 0.00 58.31 56.16 2kfp n LYS 24 Cb 0.46 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.89 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 -1.22 0.95 0.37 2.13 3.72 -0.87 -4.93 117.46 117.62 2kfp n PHE 25 Ca 0.06 -3.75 0.14 0.00 -0.05 0.00 0.00 57.45 53.84 2kfp n PHE 25 Cb 0.08 -0.40 0.54 0.00 -0.94 0.00 0.00 39.48 38.76 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 4.13 0.00 -0.02 -1.08 0.13 -1.72 -2.42 132.00 131.02 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 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2kfp h PRO 26 CO 0.58 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.95 2kfp n ASP 27 N -2.51 1.31 -4.82 1.44 5.75 -1.26 -4.84 116.55 111.62 2kfp n ASP 27 Ca 0.02 -1.45 -0.38 0.00 -0.01 0.00 0.00 54.79 52.97 2kfp n ASP 27 Cb 0.27 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.29 2kfp n ASP 27 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2kfp s TYR 28 N -1.99 3.72 -0.21 2.11 1.51 -0.91 -4.57 117.35 117.02 2kfp s TYR 28 Ca 0.39 1.02 0.01 0.00 -1.01 0.00 0.00 57.07 57.48 2kfp s TYR 28 Cb 0.21 -2.33 0.04 0.00 -0.11 0.00 0.00 41.96 39.77 2kfp s TYR 28 CO 0.33 0.60 -0.13 0.00 -1.11 0.00 0.00 175.55 175.25 2kfp s ALA 29 N -0.95 2.19 -0.20 3.71 0.00 -0.78 -4.53 121.76 121.21 2kfp s ALA 29 Ca 0.24 -1.32 -0.08 0.00 0.00 0.00 0.00 51.96 50.81 2kfp s ALA 29 Cb -0.17 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 2kfp s ALA 29 CO 0.14 -0.79 0.07 0.08 0.00 0.00 0.00 175.76 175.26 2kfp s VAL 30 N 1.31 4.77 -0.11 0.00 1.01 0.16 -1.64 120.40 125.90 2kfp s VAL 30 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 2kfp s VAL 30 Cb -0.16 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 2kfp s VAL 30 CO -0.09 0.44 -0.09 -0.36 0.00 0.00 0.00 175.10 175.00 2kfp s PHE 31 N 0.58 2.90 0.01 5.22 0.08 -0.94 -1.98 117.98 123.85 2kfp s PHE 31 Ca 0.04 -0.28 -0.08 0.00 0.12 0.00 0.00 56.93 56.73 2kfp s PHE 31 Cb -0.13 -1.81 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 2kfp s PHE 31 CO 0.01 0.05 0.15 -0.98 -0.10 0.00 0.00 175.22 174.36 2kfp s ARG 32 N -0.13 0.52 0.26 0.44 1.70 -1.26 -3.61 118.95 116.87 2kfp s ARG 32 Ca 0.01 -0.43 0.05 0.00 -0.47 0.00 0.00 55.73 54.89 2kfp s ARG 32 Cb -0.13 0.22 -0.03 0.00 -0.57 0.00 0.00 34.95 34.44 2kfp s ARG 32 CO 0.03 -0.13 0.38 -1.01 -1.08 0.00 0.00 175.30 173.49 2kfp s HIS 33 N -1.56 3.38 -0.23 5.89 3.76 -1.26 -4.91 115.29 120.36 2kfp s HIS 33 Ca -0.13 -0.06 -0.12 0.00 -0.15 0.00 0.00 55.06 54.59 2kfp s HIS 33 Cb -0.07 -1.65 -0.10 0.00 1.11 0.00 0.00 32.58 31.88 2kfp s HIS 33 CO 0.01 0.36 -0.31 0.45 -0.85 0.00 0.00 174.74 174.40 2kfp n SER 34 N -1.45 1.69 -0.74 1.40 2.88 -1.26 -2.52 113.62 113.62 2kfp n SER 34 Ca -0.07 0.29 0.12 0.00 -1.33 0.00 0.00 58.87 57.88 2kfp n SER 34 Cb 0.57 -0.70 0.21 0.00 -0.75 0.00 0.00 64.21 63.55 2kfp n SER 34 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kfp n ASP 35 N -4.09 2.39 -1.90 -3.46 8.00 -1.26 -4.17 116.55 112.06 2kfp n ASP 35 Ca -0.44 -1.75 -0.19 0.00 0.71 0.00 0.00 54.79 53.11 2kfp n ASP 35 Cb 0.80 0.06 0.17 0.00 -0.02 0.00 0.00 41.12 42.13 2kfp n ASP 35 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2kfp n ASN 36 N 0.78 3.93 -3.63 -2.24 4.05 -1.26 -4.89 115.26 112.00 2kfp n ASN 36 Ca 0.15 -3.70 -0.25 0.00 0.45 0.00 0.00 54.58 51.23 2kfp n ASN 36 Cb 0.51 -0.77 0.08 0.00 1.23 0.00 0.00 39.78 40.82 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 -1.09 -6.24 -2.73 1.20 8.00 -1.26 -3.63 116.55 110.80 2kfp n ASP 37 Ca 0.51 -0.56 -0.19 0.00 0.71 0.00 0.00 54.79 55.26 2kfp n ASP 37 Cb 1.31 -4.93 0.01 0.00 -0.02 0.00 0.00 41.12 37.49 2kfp n ASP 37 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2kfp n LYS 38 N -4.99 -1.00 -0.02 -1.24 2.85 -1.05 -4.88 118.16 107.84 2kfp n LYS 38 Ca 0.01 0.65 -0.01 0.00 -1.05 0.00 0.00 58.31 57.91 2kfp n LYS 38 Cb 0.56 -1.16 0.01 0.00 -0.65 0.00 0.00 35.03 33.78 2kfp n LYS 38 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 2kfp n TRP 39 N -0.71 -1.65 -4.22 5.58 4.27 -1.24 -4.65 117.44 114.83 2kfp n TRP 39 Ca -0.10 -0.03 -0.34 0.00 -3.89 0.00 0.00 57.50 53.14 2kfp n TRP 39 Cb 0.39 -0.07 -0.15 0.00 -1.36 0.00 0.00 31.31 30.12 2kfp n TRP 39 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2kfp s TYR 40 N -0.85 2.86 -0.21 -2.67 5.04 -1.26 -4.58 117.35 115.68 2kfp s TYR 40 Ca 0.03 -1.08 -0.12 0.00 -2.44 0.00 0.00 57.07 53.46 2kfp s TYR 40 Cb -0.00 -1.98 0.07 0.00 0.35 0.00 0.00 41.96 40.40 2kfp s TYR 40 CO 0.02 -0.54 0.52 0.00 -1.34 0.00 0.00 175.55 174.21 2kfp s ALA 41 N 1.12 -1.37 -0.03 3.97 0.00 -1.24 -4.85 121.76 119.36 2kfp s ALA 41 Ca 0.01 1.88 -0.01 0.00 0.00 0.00 0.00 51.96 53.84 2kfp s ALA 41 Cb -0.14 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 21.88 2kfp s ALA 41 CO -0.03 -0.31 0.06 -1.17 0.00 0.00 0.00 175.76 174.31 2kfp s LEU 42 N 1.50 0.90 -0.12 0.00 2.96 -1.26 -2.22 118.68 120.43 2kfp s LEU 42 Ca -0.10 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 2kfp s LEU 42 Cb -0.07 0.03 0.01 0.00 0.50 0.00 0.00 46.19 46.66 2kfp s LEU 42 CO -0.16 -0.15 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.31 2kfp s LEU 43 N 1.21 1.96 0.10 -0.68 0.20 -0.65 -2.23 118.68 118.59 2kfp s LEU 43 Ca -0.08 -0.53 -0.24 0.00 0.69 0.00 0.00 54.13 53.97 2kfp s LEU 43 Cb -0.13 -1.30 0.07 0.00 -0.43 0.00 0.00 46.19 44.40 2kfp s LEU 43 CO -0.04 0.07 0.59 0.00 -0.29 0.00 0.00 176.35 176.68 2kfp s MET 44 N 0.81 1.19 -0.36 1.98 0.23 -1.11 -1.86 119.30 120.17 2kfp s MET 44 Ca -0.09 -0.31 -0.16 0.00 -1.03 0.00 0.00 55.69 54.10 2kfp s MET 44 Cb -0.16 0.55 -0.00 0.00 -1.53 0.00 0.00 34.83 33.69 2kfp s MET 44 CO -0.00 -0.48 0.42 0.34 -2.03 0.00 0.00 175.02 173.26 2kfp s ASP 45 N -2.35 6.22 0.04 -1.18 -1.08 -1.26 -2.48 116.67 114.57 2kfp s ASP 45 Ca -0.02 -0.28 0.07 0.00 -0.52 0.00 0.00 52.55 51.80 2kfp s ASP 45 Cb -0.01 -2.22 -0.03 0.00 -1.46 0.00 0.00 42.92 39.20 2kfp s ASP 45 CO -0.07 -0.43 -0.19 0.27 0.52 0.00 0.00 175.17 175.27 2kfp s ILE 46 N 2.14 2.70 0.38 4.11 -4.36 -0.81 -4.89 121.20 120.47 2kfp s ILE 46 Ca 0.14 -1.20 -0.24 0.00 -0.26 0.00 0.00 60.65 59.09 2kfp s ILE 46 Cb -0.16 -2.12 -0.13 0.00 1.25 0.00 0.00 42.46 41.30 2kfp s ILE 46 CO 0.13 0.35 0.75 -2.65 0.24 0.00 0.00 174.94 173.76 2kfp n PRO 47 N 1.62 0.88 0.31 0.37 -0.02 -1.26 -2.68 135.00 134.22 2kfp n PRO 47 Ca -0.16 0.31 0.19 0.00 -2.02 0.00 0.00 63.50 61.82 2kfp n PRO 47 Cb 0.52 -1.68 1.04 0.00 -0.02 0.00 0.00 33.50 33.36 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 1.22 1.18 0.00 3.55 0.00 -1.42 -0.81 119.26 122.98 2kfp h ALA 48 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kfp h ALA 48 Cb 1.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2kfp h ALA 48 CO 0.55 0.02 0.00 0.93 0.00 0.00 0.00 179.25 180.75 2kfp h GLU 49 N 0.00 0.00 0.00 0.00 4.39 -1.52 -2.77 114.58 114.67 2kfp h GLU 49 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kfp h GLU 49 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2kfp h GLU 49 CO 0.00 0.00 -0.28 1.63 -1.16 0.00 0.00 179.01 179.21 2kfp n LYS 50 N -2.59 0.10 -0.18 2.33 4.76 -0.31 -3.42 118.16 118.85 2kfp n LYS 50 Ca 0.02 0.05 0.11 0.00 -2.87 0.00 0.00 58.31 55.62 2kfp n LYS 50 Cb 0.27 -1.58 0.20 0.00 -1.84 0.00 0.00 35.03 32.08 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 -1.73 0.50 0.00 -0.18 -5.35 -1.06 -4.93 119.36 106.61 2kfp n ILE 51 Ca 0.06 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 2kfp n ILE 51 Cb 0.37 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 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 1.43 0.76 3.72 3.28 0.00 -1.22 -4.97 105.19 108.19 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 -2.21 4.73 -1.65 -0.61 1.01 -1.16 -4.88 121.20 116.43 2kfp s ILE 53 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 60.65 62.56 2kfp s ILE 53 Cb 0.00 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.22 2kfp s ILE 53 CO 0.00 0.27 0.29 -3.20 0.00 0.00 0.00 174.94 172.30 2kfp n ASN 54 N 3.27 0.12 -4.79 3.58 2.85 -1.26 -3.65 115.26 115.38 2kfp n ASN 54 Ca 0.02 -0.70 -0.38 0.00 -0.11 0.00 0.00 54.58 53.41 2kfp n ASN 54 Cb 0.50 -0.06 -0.06 0.00 1.24 0.00 0.00 39.78 41.40 2kfp n ASN 54 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2kfp s GLY 55 N -1.30 2.85 0.00 8.20 0.00 -1.26 -4.94 107.32 110.86 2kfp s GLY 55 Ca 0.00 0.34 0.22 0.00 0.00 0.00 0.00 44.72 45.28 2kfp s GLY 55 CO 0.00 0.81 1.49 2.09 0.00 0.00 0.00 173.10 177.49 2kfp n ASP 56 N 1.29 3.79 -4.79 1.64 5.75 -1.26 -2.28 116.55 120.69 2kfp n ASP 56 Ca -0.04 -1.99 -0.38 0.00 -0.01 0.00 0.00 54.79 52.36 2kfp n ASP 56 Cb 0.49 -0.42 -0.06 0.00 -1.03 0.00 0.00 41.12 40.10 2kfp n ASP 56 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2kfp s LYS 57 N -1.10 4.50 0.41 0.11 2.20 -1.26 -4.68 119.74 119.93 2kfp s LYS 57 Ca 0.45 1.11 -0.24 0.00 -0.36 0.00 0.00 55.97 56.93 2kfp s LYS 57 Cb 0.24 -3.14 -0.08 0.00 -1.51 0.00 0.00 37.83 33.34 2kfp s LYS 57 CO 0.32 0.51 1.11 1.03 -0.36 0.00 0.00 175.35 177.96 2kfp s ARG 58 N -1.41 4.04 0.11 4.03 0.52 -1.26 -1.55 118.95 123.43 2kfp s ARG 58 Ca 0.39 1.67 0.01 0.00 -0.52 0.00 0.00 55.73 57.28 2kfp s ARG 58 Cb -0.21 -2.56 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 2kfp s ARG 58 CO 0.25 -0.29 -0.04 0.14 0.02 0.00 0.00 175.30 175.38 2kfp s VAL 59 N -1.55 0.62 -0.12 3.52 -7.23 -1.09 -4.83 120.40 109.72 2kfp s VAL 59 Ca 0.59 -1.94 -0.06 0.00 -1.81 0.00 0.00 61.98 58.77 2kfp s VAL 59 Cb -0.26 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 2kfp s VAL 59 CO 0.33 -0.77 0.09 -1.81 -0.31 0.00 0.00 175.10 172.63 2kfp s ASP 60 N -3.06 5.99 0.07 4.85 1.01 -1.26 -1.93 116.67 122.34 2kfp s ASP 60 Ca 0.15 0.34 0.03 0.00 0.71 0.00 0.00 52.55 53.77 2kfp s ASP 60 Cb 0.06 -1.89 -0.03 0.00 1.01 0.00 0.00 42.92 42.07 2kfp s ASP 60 CO -0.03 0.38 -0.08 0.68 0.21 0.00 0.00 175.17 176.33 2kfp s VAL 61 N -0.85 0.69 0.03 -1.27 -7.23 -1.04 -2.08 120.40 108.65 2kfp s VAL 61 Ca 0.13 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 2kfp s VAL 61 Cb -0.12 -1.05 -0.02 0.00 0.56 0.00 0.00 36.38 35.75 2kfp s VAL 61 CO 0.03 -0.53 -0.06 0.27 -0.31 0.00 0.00 175.10 174.50 2kfp s ILE 62 N -2.14 0.41 0.38 -0.62 -4.36 -1.07 -2.76 121.20 111.03 2kfp s ILE 62 Ca -0.01 -0.89 -0.25 0.00 -0.26 0.00 0.00 60.65 59.24 2kfp s ILE 62 Cb -0.05 -0.48 -0.09 0.00 1.25 0.00 0.00 42.46 43.10 2kfp s ILE 62 CO -0.01 -0.33 1.07 -1.81 0.24 0.00 0.00 174.94 174.10 2kfp s ASP 63 N -1.30 6.83 -0.04 4.36 1.01 -0.94 -2.12 116.67 124.47 2kfp s ASP 63 Ca -0.09 2.11 0.02 0.00 0.71 0.00 0.00 52.55 55.30 2kfp s ASP 63 Cb -0.09 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.26 2kfp s ASP 63 CO 0.00 -0.44 -0.07 -0.22 0.21 0.00 0.00 175.17 174.65 2kfp s LEU 64 N -2.39 1.54 -0.17 1.23 1.98 -0.40 -4.73 118.68 115.73 2kfp s LEU 64 Ca 0.55 -0.17 -0.12 0.00 -2.89 0.00 0.00 54.13 51.50 2kfp s LEU 64 Cb -0.25 -0.52 -0.05 0.00 0.66 0.00 0.00 46.19 46.04 2kfp s LEU 64 CO 0.31 -0.00 0.23 -0.54 -1.89 0.00 0.00 176.35 174.46 2kfp s LYS 65 N 0.63 4.21 0.14 1.98 1.02 -1.26 -2.06 119.74 124.40 2kfp s LYS 65 Ca -0.09 -0.03 -0.02 0.00 0.02 0.00 0.00 55.97 55.84 2kfp s LYS 65 Cb -0.13 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 2kfp s LYS 65 CO 0.01 0.28 0.09 0.14 -0.92 0.00 0.00 175.35 174.95 2kfp s VAL 66 N 0.39 0.09 0.60 3.17 -7.23 -1.10 -4.21 120.40 112.11 2kfp s VAL 66 Ca 0.13 -1.84 -0.17 0.00 -1.81 0.00 0.00 61.98 58.29 2kfp s VAL 66 Cb -0.12 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 2kfp s VAL 66 CO 0.02 -0.42 1.11 -1.10 -0.31 0.00 0.00 175.10 174.40 2kfp s GLN 67 N -4.04 3.12 0.56 4.82 -0.21 -1.26 -4.58 119.66 118.07 2kfp s GLN 67 Ca 0.24 1.44 0.33 0.00 0.02 0.00 0.00 55.36 57.40 2kfp s GLN 67 Cb 0.07 -1.99 1.64 0.00 1.00 0.00 0.00 33.01 33.73 2kfp s GLN 67 CO 0.02 -1.00 2.11 -1.00 -2.12 0.00 0.00 175.29 173.30 2kfp h PRO 68 N 0.59 0.00 0.01 2.91 0.13 -1.97 -1.46 132.00 132.21 2kfp h PRO 68 Ca -0.48 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.38 2kfp h PRO 68 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2kfp h PRO 68 CO 0.56 0.06 -1.47 0.93 -0.23 0.00 0.00 178.00 177.85 2kfp h GLU 69 N 0.00 0.02 -0.65 0.86 4.39 -1.99 -3.30 114.58 113.92 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 0.33 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2kfp h GLU 69 CO 0.01 0.72 0.00 1.28 -1.16 0.00 0.00 179.01 179.85 2kfp n LEU 70 N -3.18 3.58 -0.09 1.33 4.77 -0.98 -4.41 117.00 118.01 2kfp n LEU 70 Ca -0.12 -1.79 -0.09 0.00 -0.03 0.00 0.00 56.01 53.98 2kfp n LEU 70 Cb 1.01 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2kfp n LEU 70 CO 0.46 0.85 0.99 1.62 -1.33 0.00 0.00 177.39 179.98 2kfp h VAL 71 N 3.78 1.10 0.00 4.08 3.04 -1.36 -1.98 116.25 124.90 2kfp h VAL 71 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 2kfp h VAL 71 Cb 0.93 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 2kfp h VAL 71 CO 0.03 0.09 0.00 0.61 -1.01 0.00 0.00 177.57 177.29 2kfp n GLY 72 N -1.13 -1.54 0.32 3.17 0.00 -1.26 -2.88 105.19 101.87 2kfp n GLY 72 Ca -0.01 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 2kfp n GLY 72 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kfp h SER 73 N 0.00 -0.66 1.26 1.61 0.87 -1.62 -3.15 113.55 111.86 2kfp h SER 73 Ca 0.00 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 2kfp h SER 73 Cb 0.59 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 2kfp h SER 73 CO 0.00 -0.45 -0.76 0.17 -0.53 0.00 0.00 176.83 175.27 2kfp h LEU 74 N -0.72 0.00 -0.81 2.23 -0.00 -1.66 -3.37 115.31 110.99 2kfp h LEU 74 Ca -0.06 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.86 2kfp h LEU 74 Cb 0.57 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.18 2kfp h LEU 74 CO 0.09 0.16 0.50 -0.09 -0.00 0.00 0.00 178.44 179.10 2kfp h ARG 75 N 0.00 0.91 0.00 0.17 9.65 -1.49 -1.02 114.38 122.60 2kfp h ARG 75 Ca -0.03 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2kfp h ARG 75 Cb 1.14 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 2kfp h ARG 75 CO 0.02 0.60 0.00 0.36 2.80 0.00 0.00 179.97 183.75 2kfp n LYS 76 N -4.63 1.00 -2.87 0.20 0.00 -1.22 -4.77 118.16 105.87 2kfp n LYS 76 Ca 0.11 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.00 2kfp n LYS 76 Cb 0.14 -1.48 -0.04 0.00 -0.00 0.00 0.00 35.03 33.65 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 -2.00 4.35 0.41 -1.58 -0.14 -0.39 -5.01 119.74 115.39 2kfp s LYS 77 Ca 0.46 1.07 -0.24 0.00 -1.36 0.00 0.00 55.97 55.91 2kfp s LYS 77 Cb 0.21 -3.54 -0.12 0.00 -1.68 0.00 0.00 37.83 32.70 2kfp s LYS 77 CO 0.35 -0.24 0.79 -2.30 -0.76 0.00 0.00 175.35 173.19 2kfp n PRO 78 N 4.88 0.95 -0.09 -1.68 -0.02 -1.26 -2.71 135.00 135.07 2kfp n PRO 78 Ca 0.04 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2kfp n PRO 78 Cb 0.49 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.48 0.64 3.15 -1.23 0.00 -1.26 -4.49 105.19 103.48 2kfp n GLY 79 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.31 1.80 0.17 -0.61 1.01 -1.10 -0.28 121.20 119.87 2kfp s ILE 80 Ca 0.00 -0.86 0.11 0.00 0.00 0.00 0.00 60.65 59.90 2kfp s ILE 80 Cb 0.00 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 2kfp s ILE 80 CO 0.00 0.50 -0.25 -0.31 0.00 0.00 0.00 174.94 174.88 2kfp s TYR 81 N 0.55 2.26 0.65 3.97 1.51 -0.74 -4.84 117.35 120.72 2kfp s TYR 81 Ca -0.15 -0.37 -0.15 0.00 -1.01 0.00 0.00 57.07 55.38 2kfp s TYR 81 Cb -0.17 -1.16 -0.00 0.00 -0.11 0.00 0.00 41.96 40.52 2kfp s TYR 81 CO 0.05 0.42 1.11 -1.25 -1.11 0.00 0.00 175.55 174.78 2kfp s PRO 82 N -2.43 2.84 0.51 -1.71 0.04 -1.26 -2.38 135.00 130.60 2kfp s PRO 82 Ca 0.18 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.40 2kfp s PRO 82 Cb -0.09 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 2kfp s PRO 82 CO 0.08 -1.22 1.22 0.00 0.04 0.00 0.00 177.00 177.11 2kfp s ALA 83 N -2.31 2.85 -0.28 8.56 0.00 -1.26 -4.50 121.76 124.81 2kfp s ALA 83 Ca 0.67 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 53.54 2kfp s ALA 83 Cb -0.21 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 2kfp s ALA 83 CO 0.41 -0.92 0.26 1.52 0.00 0.00 0.00 175.76 177.02 2kfp s TYR 84 N -1.51 3.23 0.00 0.00 -0.85 -1.26 -4.50 117.35 112.46 2kfp s TYR 84 Ca 0.68 0.18 0.00 0.00 -0.52 0.00 0.00 57.07 57.41 2kfp s TYR 84 Cb -0.31 -2.46 0.00 0.00 0.38 0.00 0.00 41.96 39.57 2kfp s TYR 84 CO 0.37 -0.21 0.00 1.58 -1.52 0.00 0.00 175.55 175.77 2kfp n HIS 85 N 5.16 0.00 -2.36 -3.49 -0.00 -1.26 -4.89 115.22 108.38 2kfp n HIS 85 Ca -0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.31 2kfp n HIS 85 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.50 2kfp n HIS 85 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2kfp s MET 86 N 0.00 3.59 -0.39 1.57 -1.94 -1.26 -4.93 119.30 115.94 2kfp s MET 86 Ca 0.00 0.44 -0.45 0.00 -1.71 0.00 0.00 55.69 53.97 2kfp s MET 86 Cb 0.00 -2.26 -0.20 0.00 2.01 0.00 0.00 34.83 34.38 2kfp s MET 86 CO 0.00 -0.33 1.50 -1.71 -0.01 0.00 0.00 175.02 174.47 2kfp n ASN 87 N -2.37 1.04 0.03 3.03 2.85 -1.26 -4.70 115.26 113.88 2kfp n ASN 87 Ca 0.03 1.18 0.11 0.00 -0.11 0.00 0.00 54.58 55.79 2kfp n ASN 87 Cb 0.55 -0.91 0.01 0.00 1.24 0.00 0.00 39.78 40.67 2kfp n ASN 87 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2kfp n LYS 88 N 3.57 0.32 0.00 1.20 4.81 -1.23 -3.81 118.16 123.02 2kfp n LYS 88 Ca 0.28 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 2kfp n LYS 88 Cb -0.02 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.43 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 -2.00 0.00 -0.20 1.64 1.02 -1.26 -4.56 120.64 115.28 2kfp n GLU 89 Ca 0.02 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.09 2kfp n GLU 89 Cb 0.45 -0.23 0.03 0.00 -0.02 0.00 0.00 31.44 31.67 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 0.00 0.73 -2.88 -0.32 3.86 -1.83 -3.42 115.15 111.29 2kfp h HIS 90 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 2kfp h HIS 90 Cb 0.00 -0.24 -0.10 0.00 1.06 0.00 0.00 27.41 28.13 2kfp h HIS 90 CO 0.00 0.49 -0.51 -1.58 0.86 0.00 0.00 177.93 177.19 2kfp s TRP 91 N -6.04 3.47 0.15 2.45 0.51 -1.25 -2.72 118.94 115.52 2kfp s TRP 91 Ca -0.13 0.41 -0.05 0.00 -2.12 0.00 0.00 56.10 54.21 2kfp s TRP 91 Cb 0.13 -1.95 -0.03 0.00 -0.81 0.00 0.00 33.47 30.81 2kfp s TRP 91 CO 0.76 0.60 0.17 0.42 -0.51 0.00 0.00 176.95 178.38 2kfp s ILE 92 N -0.75 0.08 -0.09 2.03 1.01 -0.87 -3.58 121.20 119.03 2kfp s ILE 92 Ca 0.13 -1.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.08 2kfp s ILE 92 Cb -0.12 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 2kfp s ILE 92 CO 0.03 -0.34 -0.02 0.42 0.00 0.00 0.00 174.94 175.03 2kfp s THR 93 N -4.02 4.16 -0.07 2.92 -4.23 -1.00 -1.27 115.64 112.13 2kfp s THR 93 Ca 0.22 -0.30 0.05 0.00 -1.18 0.00 0.00 61.69 60.49 2kfp s THR 93 Cb 0.05 -2.75 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 2kfp s THR 93 CO 0.02 0.59 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.77 2kfp s VAL 94 N -0.69 1.94 -0.45 2.29 1.01 -0.90 -1.78 120.40 121.81 2kfp s VAL 94 Ca 0.11 -0.99 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 2kfp s VAL 94 Cb -0.12 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.64 2kfp s VAL 94 CO 0.02 0.54 0.69 -0.22 0.00 0.00 0.00 175.10 176.13 2kfp s LEU 95 N 0.00 4.44 0.21 3.92 2.96 0.61 -2.61 118.68 128.21 2kfp s LEU 95 Ca -0.07 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 2kfp s LEU 95 Cb -0.14 -2.78 0.17 0.00 0.50 0.00 0.00 46.19 43.93 2kfp s LEU 95 CO 0.05 -0.84 1.72 -0.07 -1.32 0.00 0.00 176.35 175.89 2kfp h LEU 96 N 9.86 1.00 0.00 -0.68 3.38 -1.67 -1.16 115.31 126.04 2kfp h LEU 96 Ca -0.25 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2kfp h LEU 96 Cb 1.09 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2kfp h LEU 96 CO 0.92 0.99 0.00 0.59 0.09 0.00 0.00 178.44 181.04 2kfp n ASN 97 N -4.22 0.00 -4.57 -0.43 3.02 -1.26 -4.44 115.26 103.36 2kfp n ASN 97 Ca 0.04 -1.14 -0.29 0.00 -0.03 0.00 0.00 54.58 53.16 2kfp n ASN 97 Cb 0.28 0.00 0.21 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 -1.58 1.61 0.37 7.41 0.00 -0.44 -4.88 107.32 109.80 2kfp s GLY 98 Ca 0.15 0.19 0.27 0.00 0.00 0.00 0.00 44.72 45.33 2kfp s GLY 98 CO 0.11 0.78 1.81 -0.56 0.00 0.00 0.00 173.10 175.24 2kfp h PRO 99 N -2.30 0.00 -7.13 2.90 0.13 -1.87 -3.45 132.00 120.27 2kfp h PRO 99 Ca -0.54 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.16 2kfp h PRO 99 Cb 1.30 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.65 2kfp h PRO 99 CO 0.46 0.00 -0.01 -0.48 -0.23 0.00 0.00 178.00 177.75 2kfp s LEU 100 N -5.19 0.74 0.40 1.56 0.05 -1.26 -5.03 118.68 109.95 2kfp s LEU 100 Ca 0.04 1.55 0.08 0.00 0.05 0.00 0.00 54.13 55.85 2kfp s LEU 100 Cb 0.09 -3.42 0.01 0.00 -2.05 0.00 0.00 46.19 40.81 2kfp s LEU 100 CO 0.48 -4.34 0.55 -0.83 -0.55 0.00 0.00 176.35 171.66 2kfp s GLY 101 N -2.42 1.89 0.29 -3.48 0.00 -1.26 -4.74 107.32 97.60 2kfp s GLY 101 Ca 0.69 -1.63 0.01 0.00 0.00 0.00 0.00 44.72 43.78 2kfp s GLY 101 CO 0.65 -1.47 1.81 0.00 0.00 0.00 0.00 173.10 174.09 2kfp h ALA 102 N 0.69 1.21 -0.70 3.20 0.00 -1.95 -2.24 119.26 119.47 2kfp h ALA 102 Ca -0.41 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2kfp h ALA 102 Cb 1.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2kfp h ALA 102 CO 0.46 0.52 0.45 1.57 0.00 0.00 0.00 179.25 182.25 2kfp h LYS 103 N 0.64 0.93 -0.36 0.00 2.10 -1.99 -0.08 116.57 117.80 2kfp h LYS 103 Ca 0.13 -0.07 -0.04 0.00 -2.00 0.00 0.00 60.65 58.67 2kfp h LYS 103 Cb 0.40 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.52 2kfp h LYS 103 CO 0.02 0.63 0.05 0.93 -2.00 0.00 0.00 179.45 179.08 2kfp h GLU 104 N 0.95 0.60 -0.46 0.07 4.39 -1.80 -1.93 114.58 116.40 2kfp h GLU 104 Ca 0.25 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 2kfp h GLU 104 Cb -0.08 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 2kfp h GLU 104 CO -0.05 0.68 0.14 0.82 -1.16 0.00 0.00 179.01 179.44 2kfp h ILE 105 N 0.44 1.22 -0.62 3.13 2.04 -1.17 -2.49 117.51 120.07 2kfp h ILE 105 Ca 0.11 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.26 2kfp h ILE 105 Cb 0.37 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 2kfp h ILE 105 CO 0.01 0.27 0.36 -0.74 0.00 0.00 0.00 178.15 178.05 2kfp h HIS 106 N 0.62 0.68 -0.62 1.37 2.76 -0.87 0.05 115.15 119.13 2kfp h HIS 106 Ca 0.15 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 2kfp h HIS 106 Cb 0.27 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 2kfp h HIS 106 CO 0.01 0.37 0.36 0.66 -1.30 0.00 0.00 177.93 178.03 2kfp h SER 107 N 0.70 0.76 -0.62 3.26 4.64 -1.16 0.46 113.55 121.59 2kfp h SER 107 Ca 0.26 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 2kfp h SER 107 Cb 0.08 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 2kfp h SER 107 CO -0.13 0.61 0.22 -0.07 -0.87 0.00 0.00 176.83 176.59 2kfp h LEU 108 N 0.84 0.88 -0.54 5.97 3.38 -0.94 -2.64 115.31 122.26 2kfp h LEU 108 Ca 0.22 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2kfp h LEU 108 Cb 0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2kfp h LEU 108 CO -0.04 0.83 0.19 0.40 0.09 0.00 0.00 178.44 179.91 2kfp h ILE 109 N 0.88 1.23 -0.72 1.22 2.04 -0.50 -2.44 117.51 119.21 2kfp h ILE 109 Ca 0.20 -0.75 0.13 0.00 1.00 0.00 0.00 64.86 65.45 2kfp h ILE 109 Cb 0.25 0.69 -0.09 0.00 -0.74 0.00 0.00 36.82 36.93 2kfp h ILE 109 CO -0.01 0.28 0.27 -0.08 0.00 0.00 0.00 178.15 178.61 2kfp h GLU 110 N 0.75 0.40 -0.72 2.37 4.81 -0.57 0.32 114.58 121.93 2kfp h GLU 110 Ca 0.18 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2kfp h GLU 110 Cb 0.24 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2kfp h GLU 110 CO -0.01 0.26 0.42 0.22 -0.73 0.00 0.00 179.01 179.17 2kfp h ASP 111 N 0.41 0.88 -0.72 1.04 1.82 -1.17 -2.00 116.42 116.69 2kfp h ASP 111 Ca 0.39 -0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.92 2kfp h ASP 111 Cb 0.59 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.34 2kfp h ASP 111 CO -0.40 0.70 0.31 -1.28 -1.61 0.00 0.00 179.24 176.97 2kfp h SER 112 N 0.99 0.98 -0.75 2.28 0.87 -0.18 -2.44 113.55 115.29 2kfp h SER 112 Ca 0.26 -0.13 0.09 0.00 -1.23 0.00 0.00 61.79 60.77 2kfp h SER 112 Cb -0.00 -0.25 -0.07 0.00 -0.44 0.00 0.00 62.40 61.64 2kfp h SER 112 CO -0.04 0.86 0.41 0.15 -0.53 0.00 0.00 176.83 177.67 2kfp h PHE 113 N 1.05 0.73 -0.63 2.24 3.57 0.21 0.13 116.94 124.25 2kfp h PHE 113 Ca 0.25 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.93 2kfp h PHE 113 Cb 0.17 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 2kfp h PHE 113 CO 0.02 0.29 0.44 1.96 -2.23 0.00 0.00 178.31 178.79 2kfp h GLN 114 N 0.69 0.17 0.00 1.11 4.20 -1.18 0.38 115.11 120.49 2kfp h GLN 114 Ca 0.36 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.06 2kfp h GLN 114 Cb 0.34 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2kfp h GLN 114 CO -0.25 0.12 -0.24 1.28 -0.67 0.00 0.00 178.83 179.07 2kfp n LEU 115 N -4.42 0.60 -1.43 1.46 4.32 0.39 -3.35 117.00 114.58 2kfp n LEU 115 Ca 0.12 0.40 0.09 0.00 -0.02 0.00 0.00 56.01 56.60 2kfp n LEU 115 Cb 0.58 -0.30 0.33 0.00 -1.62 0.00 0.00 43.42 42.41 2kfp n LEU 115 CO 0.35 -0.08 0.79 0.35 -1.22 0.00 0.00 177.39 177.58 2kfp n THR 116 N -2.00 1.66 -2.13 -5.08 -2.24 0.13 -4.98 114.28 99.63 2kfp n THR 116 Ca 0.05 -1.19 -0.36 0.00 -2.27 0.00 0.00 64.05 60.28 2kfp n THR 116 Cb 0.41 0.20 0.01 0.00 -2.10 0.00 0.00 70.33 68.85 2kfp n THR 116 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2kfp s ARG 117 N -1.69 3.34 0.43 -0.78 0.52 -0.93 -4.97 118.95 114.86 2kfp s ARG 117 Ca 0.48 1.80 -0.24 0.00 -0.52 0.00 0.00 55.73 57.25 2kfp s ARG 117 Cb 0.30 -2.13 -0.08 0.00 0.52 0.00 0.00 34.95 33.56 2kfp s ARG 117 CO 0.24 -0.91 1.13 -0.51 0.02 0.00 0.00 175.30 175.28 2kfp s LEU 118 N -3.62 4.08 0.44 2.53 1.43 -1.26 -4.99 118.68 117.29 2kfp s LEU 118 Ca 0.71 2.24 -0.23 0.00 -1.03 0.00 0.00 54.13 55.82 2kfp s LEU 118 Cb -0.29 -4.18 -0.08 0.00 0.03 0.00 0.00 46.19 41.67 2kfp s LEU 118 CO 0.33 -0.75 1.13 -1.61 0.23 0.00 0.00 176.35 175.68 2kfp s GLU 119 N -2.56 3.90 -0.02 1.70 2.02 -1.26 -5.05 118.70 117.43 2kfp s GLU 119 Ca 0.61 1.69 -0.22 0.00 0.02 0.00 0.00 54.97 57.07 2kfp s GLU 119 Cb -0.27 -2.45 0.04 0.00 0.10 0.00 0.00 34.13 31.55 2kfp s GLU 119 CO 0.33 -0.41 0.47 -3.38 0.02 0.00 0.00 175.26 172.29 2kfp s HIS 120 N -1.58 -0.38 -2.59 1.61 -3.43 -1.26 -5.03 115.29 102.63 2kfp s HIS 120 Ca 0.62 0.60 0.23 0.00 -0.80 0.00 0.00 55.06 55.70 2kfp s HIS 120 Cb -0.26 0.24 0.33 0.00 -1.43 0.00 0.00 32.58 31.45 2kfp s HIS 120 CO 0.32 -0.50 1.33 0.72 -2.00 0.00 0.00 174.74 174.61 2kfp n HIS 121 N 1.03 0.30 -3.57 0.38 8.25 -1.26 -4.87 115.22 115.48 2kfp n HIS 121 Ca -0.20 -0.16 -0.38 0.00 -0.26 0.00 0.00 57.72 56.72 2kfp n HIS 121 Cb 0.57 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.57 2kfp n HIS 121 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kfp s HIS 122 N -1.64 3.23 -0.03 4.41 5.65 -1.26 -5.06 115.29 120.60 2kfp s HIS 122 Ca 0.34 0.17 -0.30 0.00 0.25 0.00 0.00 55.06 55.53 2kfp s HIS 122 Cb 0.21 -2.40 -0.03 0.00 -1.18 0.00 0.00 32.58 29.19 2kfp s HIS 122 CO 0.30 -0.15 0.97 -1.58 -0.65 0.00 0.00 174.74 173.64 2kfp s HIS 123 N 1.73 3.62 0.41 3.88 2.46 -1.26 -5.02 115.29 121.11 2kfp s HIS 123 Ca 0.08 1.65 -0.23 0.00 0.47 0.00 0.00 55.06 57.02 2kfp s HIS 123 Cb -0.16 -3.12 -0.09 0.00 -0.13 0.00 0.00 32.58 29.08 2kfp s HIS 123 CO 0.10 -0.06 1.06 -3.38 -2.47 0.00 0.00 174.74 169.99 2kfp s HIS 124 N 1.27 3.20 -2.00 3.88 -3.43 -1.26 -5.28 115.29 111.67 2kfp s HIS 124 Ca 0.50 1.62 0.29 0.00 -0.80 0.00 0.00 55.06 56.67 2kfp s HIS 124 Cb -0.20 -3.15 1.71 0.00 -1.43 0.00 0.00 32.58 29.51 2kfp s HIS 124 CO 0.25 -0.74 2.04 -2.39 -2.00 0.00 0.00 174.74 171.90