#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffo n ILE 1 N 0.00 0.00 -0.53 2.02 5.41 -1.26 -5.11 119.36 119.88 1ffo n ILE 1 Ca 0.00 -0.23 -0.30 0.00 1.00 0.00 0.00 62.75 63.22 1ffo n ILE 1 Cb 0.00 0.49 0.27 0.00 -0.71 0.00 0.00 39.64 39.69 1ffo n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1ffo s GLN 2 N 0.00 -2.23 0.00 0.38 -1.52 -1.24 -2.90 119.66 112.15 1ffo s GLN 2 Ca 0.08 0.25 0.00 0.00 -1.95 0.00 0.00 55.36 53.74 1ffo s GLN 2 Cb 0.09 -1.45 0.00 0.00 -0.22 0.00 0.00 33.01 31.43 1ffo s GLN 2 CO -0.04 -4.45 0.00 1.17 -0.25 0.00 0.00 175.29 171.72 1ffo n LYS 3 N -5.34 0.00 -1.68 2.91 4.81 -1.25 -4.68 118.16 112.93 1ffo n LYS 3 Ca 0.10 0.00 -0.51 0.00 -0.87 0.00 0.00 58.31 57.04 1ffo n LYS 3 Cb 0.59 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.58 1ffo n LYS 3 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1ffo n THR 4 N 0.00 0.38 -2.12 3.15 -1.04 -1.26 -3.88 114.28 109.50 1ffo n THR 4 Ca 0.00 -0.07 -0.35 0.00 -2.04 0.00 0.00 64.05 61.59 1ffo n THR 4 Cb 0.00 -1.57 0.02 0.00 -1.82 0.00 0.00 70.33 66.95 1ffo n THR 4 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ffo s PRO 5 N 3.17 3.17 -0.14 -2.82 0.04 -1.25 -4.71 135.00 132.47 1ffo s PRO 5 Ca 0.91 1.65 -0.04 0.00 0.04 0.00 0.00 61.00 63.57 1ffo s PRO 5 Cb -0.81 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.72 1ffo s PRO 5 CO 0.53 -1.00 -0.01 -0.65 0.04 0.00 0.00 177.00 175.90 1ffo s GLN 6 N -3.39 3.54 -0.04 4.56 -1.52 0.11 -4.92 119.66 118.00 1ffo s GLN 6 Ca 0.73 -0.47 0.07 0.00 -1.95 0.00 0.00 55.36 53.74 1ffo s GLN 6 Cb -0.25 -2.92 -0.01 0.00 -0.22 0.00 0.00 33.01 29.60 1ffo s GLN 6 CO 0.30 0.36 -0.24 0.42 -0.25 0.00 0.00 175.29 175.88 1ffo s ILE 7 N 0.05 1.98 -0.03 1.08 1.01 -1.26 -1.02 121.20 123.01 1ffo s ILE 7 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1ffo s ILE 7 Cb -0.13 -1.66 0.03 0.00 0.01 0.00 0.00 42.46 40.70 1ffo s ILE 7 CO 0.02 0.55 0.00 -1.10 0.00 0.00 0.00 174.94 174.42 1ffo s GLN 8 N -0.30 0.29 -0.09 2.79 -0.21 -0.71 -5.00 119.66 116.42 1ffo s GLN 8 Ca 0.01 0.09 0.03 0.00 0.02 0.00 0.00 55.36 55.51 1ffo s GLN 8 Cb -0.12 -0.49 -0.01 0.00 1.00 0.00 0.00 33.01 33.39 1ffo s GLN 8 CO 0.02 -0.15 -0.19 0.08 -2.12 0.00 0.00 175.29 172.93 1ffo s VAL 9 N 1.10 2.55 -0.10 1.09 1.01 -1.26 -0.67 120.40 124.11 1ffo s VAL 9 Ca -0.09 -0.86 -0.31 0.00 0.00 0.00 0.00 61.98 60.73 1ffo s VAL 9 Cb -0.13 -2.01 0.12 0.00 0.00 0.00 0.00 36.38 34.36 1ffo s VAL 9 CO -0.02 0.55 1.01 -0.72 0.00 0.00 0.00 175.10 175.92 1ffo s TYR 10 N 0.08 -0.29 0.56 5.22 1.13 -0.75 -4.69 117.35 118.61 1ffo s TYR 10 Ca -0.08 0.30 -0.09 0.00 -1.41 0.00 0.00 57.07 55.78 1ffo s TYR 10 Cb -0.15 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.17 1ffo s TYR 10 CO 0.05 -0.39 0.94 -1.54 -2.51 0.00 0.00 175.55 172.10 1ffo s SER 11 N -1.95 6.27 0.15 -0.18 1.04 -1.26 0.10 113.70 117.87 1ffo s SER 11 Ca 0.04 1.25 0.05 0.00 0.48 0.00 0.00 55.95 57.78 1ffo s SER 11 Cb -0.01 -2.39 -0.08 0.00 0.10 0.00 0.00 66.02 63.64 1ffo s SER 11 CO -0.05 -0.75 1.34 -0.09 0.98 0.00 0.00 173.24 174.68 1ffo h ARG 12 N -0.03 0.07 -6.14 4.02 2.43 -0.74 -3.46 114.38 110.54 1ffo h ARG 12 Ca -0.45 -0.09 -0.55 0.00 -0.81 0.00 0.00 59.98 58.07 1ffo h ARG 12 Cb 1.19 0.03 -0.21 0.00 -0.42 0.00 0.00 29.97 30.57 1ffo h ARG 12 CO 0.62 0.95 -0.82 -1.01 -1.51 0.00 0.00 179.97 178.20 1ffo s HIS 13 N -2.97 1.83 -0.07 2.20 3.76 -1.26 -5.02 115.29 113.75 1ffo s HIS 13 Ca -0.01 -0.43 -0.35 0.00 -0.15 0.00 0.00 55.06 54.13 1ffo s HIS 13 Cb 0.10 -0.97 -0.12 0.00 1.11 0.00 0.00 32.58 32.70 1ffo s HIS 13 CO 0.82 0.25 1.84 -0.35 -0.85 0.00 0.00 174.74 176.45 1ffo n PRO 14 N 0.85 2.11 -1.27 8.40 -0.04 -1.26 -4.87 135.00 138.92 1ffo n PRO 14 Ca -0.18 0.77 -0.36 0.00 -0.04 0.00 0.00 63.50 63.69 1ffo n PRO 14 Cb 0.54 -2.60 0.07 0.00 -0.04 0.00 0.00 33.50 31.48 1ffo n PRO 14 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ffo n PRO 15 N 6.22 0.32 -3.17 0.54 -0.04 -1.26 -5.04 135.00 132.57 1ffo n PRO 15 Ca 0.22 0.15 0.03 0.00 -0.04 0.00 0.00 63.50 63.86 1ffo n PRO 15 Cb 0.28 -1.87 -0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1ffo n PRO 15 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ffo s GLU 16 N -2.81 0.64 -0.01 0.54 2.02 -1.26 -5.12 118.70 112.69 1ffo s GLU 16 Ca 0.66 0.24 -0.09 0.00 0.02 0.00 0.00 54.97 55.80 1ffo s GLU 16 Cb -0.35 0.19 -0.05 0.00 0.10 0.00 0.00 34.13 34.02 1ffo s GLU 16 CO 0.57 -1.07 0.26 0.09 0.02 0.00 0.00 175.26 175.14 1ffo n ASN 17 N 5.02 0.03 -0.24 -0.19 4.13 -1.26 -1.29 115.26 121.46 1ffo n ASN 17 Ca 0.07 0.27 -0.03 0.00 1.68 0.00 0.00 54.58 56.57 1ffo n ASN 17 Cb 0.55 -0.21 -0.01 0.00 -1.54 0.00 0.00 39.78 38.57 1ffo n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ffo n GLY 18 N 0.41 0.62 3.14 7.41 0.00 0.17 -4.98 105.19 111.95 1ffo n GLY 18 Ca 0.05 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1ffo n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ffo s LYS 19 N -1.63 2.57 -0.28 1.61 2.20 -0.41 -4.99 119.74 118.81 1ffo s LYS 19 Ca 0.00 -0.71 -0.40 0.00 -0.36 0.00 0.00 55.97 54.50 1ffo s LYS 19 Cb 0.00 -2.02 -0.15 0.00 -1.51 0.00 0.00 37.83 34.14 1ffo s LYS 19 CO 0.00 0.08 1.76 -2.30 -0.36 0.00 0.00 175.35 174.53 1ffo n PRO 20 N 3.76 1.20 -4.32 4.03 -0.02 -1.26 -4.35 135.00 134.04 1ffo n PRO 20 Ca -0.20 0.44 -0.20 0.00 -2.02 0.00 0.00 63.50 61.52 1ffo n PRO 20 Cb 0.52 -2.13 -0.08 0.00 -0.02 0.00 0.00 33.50 31.79 1ffo n PRO 20 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ffo s ASN 21 N 3.62 1.67 -0.07 2.55 3.84 -0.19 -5.02 114.94 121.34 1ffo s ASN 21 Ca 0.98 -1.68 0.04 0.00 0.21 0.00 0.00 52.86 52.41 1ffo s ASN 21 Cb -1.06 0.51 0.00 0.00 -0.55 0.00 0.00 41.25 40.16 1ffo s ASN 21 CO 0.65 -1.00 -0.19 -0.63 -2.79 0.00 0.00 177.10 173.14 1ffo s ILE 22 N -3.51 1.67 -0.11 -5.21 1.01 -1.26 -1.36 121.20 112.43 1ffo s ILE 22 Ca 0.37 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 1ffo s ILE 22 Cb 0.03 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1ffo s ILE 22 CO 0.23 0.47 0.15 -0.22 0.00 0.00 0.00 174.94 175.57 1ffo s LEU 23 N 0.33 4.39 0.12 2.97 2.96 -0.46 0.07 118.68 129.06 1ffo s LEU 23 Ca -0.13 0.49 0.09 0.00 -0.22 0.00 0.00 54.13 54.35 1ffo s LEU 23 Cb -0.16 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 1ffo s LEU 23 CO 0.06 0.40 -0.22 0.20 -1.32 0.00 0.00 176.35 175.46 1ffo s ASN 24 N -1.08 2.83 -0.29 3.68 0.01 0.12 -2.31 114.94 117.89 1ffo s ASN 24 Ca 0.16 -0.74 0.00 0.00 -0.71 0.00 0.00 52.86 51.57 1ffo s ASN 24 Cb -0.12 -0.17 0.09 0.00 0.41 0.00 0.00 41.25 41.46 1ffo s ASN 24 CO 0.05 0.08 0.06 0.00 -1.51 0.00 0.00 177.10 175.79 1ffo s TYR 26 N 1.48 3.17 -0.12 0.00 5.04 0.15 -1.22 117.35 125.85 1ffo s TYR 26 Ca 0.07 -0.70 -0.03 0.00 -2.44 0.00 0.00 57.07 53.97 1ffo s TYR 26 Cb -0.18 -3.22 -0.03 0.00 0.35 0.00 0.00 41.96 38.89 1ffo s TYR 26 CO -0.18 -0.85 -0.02 0.08 -1.34 0.00 0.00 175.55 173.24 1ffo s VAL 27 N 2.03 4.09 0.26 3.14 1.01 -0.77 -1.74 120.40 128.43 1ffo s VAL 27 Ca 0.09 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 1ffo s VAL 27 Cb -0.21 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1ffo s VAL 27 CO 0.09 0.55 0.44 0.28 0.00 0.00 0.00 175.10 176.47 1ffo s THR 28 N -0.30 0.00 -1.16 3.92 -1.32 -0.19 -1.02 115.64 115.56 1ffo s THR 28 Ca 0.06 -1.50 -0.01 0.00 -1.21 0.00 0.00 61.69 59.03 1ffo s THR 28 Cb -0.12 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 1ffo s THR 28 CO 0.02 0.00 0.07 1.67 -2.21 0.00 0.00 174.62 174.18 1ffo n GLN 29 N -0.40 -1.51 -4.30 7.08 -0.06 -0.59 0.09 117.38 117.69 1ffo n GLN 29 Ca -0.01 0.66 -0.25 0.00 -2.00 0.00 0.00 57.00 55.40 1ffo n GLN 29 Cb 0.62 -4.93 -0.08 0.00 -4.06 0.00 0.00 30.24 21.79 1ffo n GLN 29 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1ffo s PHE 30 N -2.74 2.66 -0.28 3.69 -0.12 -1.13 -3.93 117.98 116.12 1ffo s PHE 30 Ca 0.04 -0.22 -0.21 0.00 -0.05 0.00 0.00 56.93 56.49 1ffo s PHE 30 Cb -0.02 -1.24 0.10 0.00 -0.63 0.00 0.00 43.02 41.24 1ffo s PHE 30 CO 0.05 0.57 0.86 -1.58 -0.05 0.00 0.00 175.22 175.07 1ffo s HIS 31 N -2.02 -0.72 1.30 3.49 2.46 -1.25 -1.33 115.29 117.22 1ffo s HIS 31 Ca 0.28 1.59 -0.18 0.00 0.47 0.00 0.00 55.06 57.22 1ffo s HIS 31 Cb -0.08 0.40 0.33 0.00 -0.13 0.00 0.00 32.58 33.10 1ffo s HIS 31 CO 0.17 -0.35 0.98 -2.14 -2.47 0.00 0.00 174.74 170.93 1ffo s PRO 32 N 0.83 -1.99 0.47 2.88 0.02 -1.14 -3.60 135.00 132.47 1ffo s PRO 32 Ca -0.03 0.43 0.26 0.00 0.02 0.00 0.00 61.00 61.67 1ffo s PRO 32 Cb -0.05 -1.46 1.01 0.00 0.02 0.00 0.00 34.50 34.02 1ffo s PRO 32 CO -0.09 -4.33 1.86 -1.00 -0.33 0.00 0.00 177.00 173.11 1ffo h PRO 33 N -3.04 0.00 -6.29 5.54 0.13 -1.95 -3.44 132.00 122.95 1ffo h PRO 33 Ca -0.52 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.07 1ffo h PRO 33 Cb 1.34 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.48 1ffo h PRO 33 CO 0.39 0.17 1.26 -1.58 -0.23 0.00 0.00 178.00 178.01 1ffo s HIS 34 N -3.66 1.34 -0.00 1.56 5.65 -1.26 -4.95 115.29 113.96 1ffo s HIS 34 Ca 0.01 -0.24 -0.14 0.00 0.25 0.00 0.00 55.06 54.93 1ffo s HIS 34 Cb 0.10 -4.17 0.02 0.00 -1.18 0.00 0.00 32.58 27.35 1ffo s HIS 34 CO 0.62 -5.16 0.30 -1.50 -0.65 0.00 0.00 174.74 168.34 1ffo s ILE 35 N 5.01 0.06 -0.24 0.89 2.07 -1.26 -4.71 121.20 123.02 1ffo s ILE 35 Ca 0.89 -0.52 -0.01 0.00 -1.41 0.00 0.00 60.65 59.59 1ffo s ILE 35 Cb -0.40 -0.67 0.03 0.00 0.13 0.00 0.00 42.46 41.55 1ffo s ILE 35 CO 0.39 -0.29 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.35 1ffo s GLU 36 N -1.55 2.84 -0.14 3.50 2.12 -0.86 -5.02 118.70 119.59 1ffo s GLU 36 Ca -0.12 -0.96 0.02 0.00 0.36 0.00 0.00 54.97 54.26 1ffo s GLU 36 Cb -0.04 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.42 1ffo s GLU 36 CO 0.03 -0.37 -0.19 0.42 -0.54 0.00 0.00 175.26 174.61 1ffo s ILE 37 N 1.31 2.38 -0.01 -3.70 1.01 -1.26 -1.24 121.20 119.69 1ffo s ILE 37 Ca 0.00 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 59.85 1ffo s ILE 37 Cb -0.16 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 1ffo s ILE 37 CO -0.06 0.53 -0.24 -1.10 0.00 0.00 0.00 174.94 174.08 1ffo s GLN 38 N 0.74 2.12 -0.31 2.79 -0.21 0.46 -4.99 119.66 120.27 1ffo s GLN 38 Ca -0.08 -0.92 -0.07 0.00 0.02 0.00 0.00 55.36 54.31 1ffo s GLN 38 Cb -0.16 -2.10 0.02 0.00 1.00 0.00 0.00 33.01 31.77 1ffo s GLN 38 CO 0.00 0.56 0.09 -1.64 -2.12 0.00 0.00 175.29 172.19 1ffo s MET 39 N -0.79 2.95 0.02 2.91 -1.94 -1.26 -0.75 119.30 120.44 1ffo s MET 39 Ca 0.11 -0.95 -0.02 0.00 -1.71 0.00 0.00 55.69 53.11 1ffo s MET 39 Cb -0.10 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.29 1ffo s MET 39 CO 0.00 -0.51 0.21 -0.51 -0.01 0.00 0.00 175.02 174.19 1ffo s LEU 40 N 1.47 4.36 -0.26 -0.03 1.43 -0.62 0.14 118.68 125.17 1ffo s LEU 40 Ca 0.01 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 1ffo s LEU 40 Cb -0.18 -2.77 0.07 0.00 0.03 0.00 0.00 46.19 43.35 1ffo s LEU 40 CO 0.03 0.22 0.01 -0.75 0.23 0.00 0.00 176.35 176.08 1ffo s LYS 41 N -2.15 1.27 -1.18 1.70 2.20 -0.12 -1.53 119.74 119.92 1ffo s LYS 41 Ca 0.30 -1.04 -0.01 0.00 -0.36 0.00 0.00 55.97 54.86 1ffo s LYS 41 Cb -0.13 -2.47 -0.01 0.00 -1.51 0.00 0.00 37.83 33.71 1ffo s LYS 41 CO 0.22 -0.73 0.96 0.09 -0.36 0.00 0.00 175.35 175.53 1ffo n ASN 42 N 4.71 -2.73 0.00 1.43 3.02 0.12 -1.68 115.26 120.13 1ffo n ASN 42 Ca -0.07 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 1ffo n ASN 42 Cb 0.44 -5.04 0.00 0.00 -0.61 0.00 0.00 39.78 34.56 1ffo n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ffo n GLY 43 N -1.19 0.00 3.52 7.41 0.00 -1.26 -4.93 105.19 108.74 1ffo n GLY 43 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1ffo n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ffo s LYS 44 N -1.46 3.80 0.03 1.61 2.47 -0.67 -5.02 119.74 120.50 1ffo s LYS 44 Ca 0.00 -0.40 -0.37 0.00 -1.56 0.00 0.00 55.97 53.64 1ffo s LYS 44 Cb 0.00 -3.42 -0.16 0.00 -1.46 0.00 0.00 37.83 32.79 1ffo s LYS 44 CO 0.00 -0.12 1.45 1.17 0.16 0.00 0.00 175.35 178.01 1ffo n LYS 45 N 4.76 1.29 -3.32 4.03 4.81 -1.26 -0.95 118.16 127.52 1ffo n LYS 45 Ca -0.15 0.47 -0.38 0.00 -0.87 0.00 0.00 58.31 57.37 1ffo n LYS 45 Cb 0.52 -2.14 -0.06 0.00 0.02 0.00 0.00 35.03 33.37 1ffo n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1ffo s ILE 46 N 1.12 4.97 0.69 3.15 1.01 0.12 -4.86 121.20 127.41 1ffo s ILE 46 Ca 0.86 1.07 -0.07 0.00 0.00 0.00 0.00 60.65 62.51 1ffo s ILE 46 Cb -0.93 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 37.75 1ffo s ILE 46 CO 0.49 0.46 1.00 -2.16 0.00 0.00 0.00 174.94 174.73 1ffo s PRO 47 N -0.38 2.31 -1.15 2.79 0.04 -1.26 -4.35 135.00 132.99 1ffo s PRO 47 Ca 0.28 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.11 1ffo s PRO 47 Cb -0.17 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1ffo s PRO 47 CO 0.15 -1.16 0.00 1.63 0.04 0.00 0.00 177.00 177.66 1ffo n LYS 48 N -2.88 -1.85 -1.77 4.56 5.02 -1.26 -4.89 118.16 115.09 1ffo n LYS 48 Ca 0.07 0.65 -0.43 0.00 -2.02 0.00 0.00 58.31 56.58 1ffo n LYS 48 Cb 0.60 -5.10 -0.03 0.00 -0.02 0.00 0.00 35.03 30.48 1ffo n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ffo s VAL 49 N -2.39 3.21 0.33 -0.18 1.01 -1.26 -4.93 120.40 116.18 1ffo s VAL 49 Ca 0.00 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 1ffo s VAL 49 Cb 0.00 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 1ffo s VAL 49 CO 0.00 -0.14 1.02 -1.61 0.00 0.00 0.00 175.10 174.37 1ffo s GLU 50 N 5.74 4.48 0.13 2.72 2.02 0.20 -4.84 118.70 129.14 1ffo s GLU 50 Ca 0.90 1.52 0.09 0.00 0.02 0.00 0.00 54.97 57.50 1ffo s GLU 50 Cb -0.31 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 1ffo s GLU 50 CO 0.35 0.14 -0.15 -1.64 0.02 0.00 0.00 175.26 173.97 1ffo s MET 51 N -1.98 1.87 0.57 1.61 -1.94 -1.26 -0.17 119.30 118.00 1ffo s MET 51 Ca 0.51 -1.20 -0.04 0.00 -1.71 0.00 0.00 55.69 53.25 1ffo s MET 51 Cb -0.24 -2.14 0.01 0.00 2.01 0.00 0.00 34.83 34.48 1ffo s MET 51 CO 0.30 0.47 0.85 -1.54 -0.01 0.00 0.00 175.02 175.09 1ffo s SER 52 N -2.33 5.53 0.54 3.03 1.04 0.04 -4.98 113.70 116.57 1ffo s SER 52 Ca 0.20 0.53 -0.20 0.00 0.48 0.00 0.00 55.95 56.96 1ffo s SER 52 Cb -0.10 -1.53 -0.05 0.00 0.10 0.00 0.00 66.02 64.44 1ffo s SER 52 CO 0.12 -1.05 1.18 -1.81 0.98 0.00 0.00 173.24 172.66 1ffo s ASP 53 N -4.32 5.62 -0.05 7.02 1.01 -1.26 -4.70 116.67 119.99 1ffo s ASP 53 Ca 0.54 2.33 -0.24 0.00 0.71 0.00 0.00 52.55 55.89 1ffo s ASP 53 Cb -0.10 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 1ffo s ASP 53 CO 0.43 -1.30 0.73 -0.32 0.21 0.00 0.00 175.17 174.92 1ffo s MET 54 N -3.12 4.45 0.08 8.23 1.75 -1.26 -4.82 119.30 124.61 1ffo s MET 54 Ca 0.72 0.95 0.04 0.00 -1.25 0.00 0.00 55.69 56.15 1ffo s MET 54 Cb -0.29 -3.44 -0.03 0.00 2.84 0.00 0.00 34.83 33.91 1ffo s MET 54 CO 0.33 0.08 -0.11 -1.12 -0.65 0.00 0.00 175.02 173.55 1ffo s SER 55 N 0.73 1.37 0.45 1.11 0.01 -1.22 -5.05 113.70 111.10 1ffo s SER 55 Ca 0.39 -0.70 0.05 0.00 1.31 0.00 0.00 55.95 57.00 1ffo s SER 55 Cb -0.18 -0.00 -0.05 0.00 0.21 0.00 0.00 66.02 66.00 1ffo s SER 55 CO 0.20 -0.20 0.05 0.72 0.41 0.00 0.00 173.24 174.42 1ffo s PHE 56 N -1.87 2.26 0.50 2.43 -0.12 -1.26 -1.50 117.98 118.42 1ffo s PHE 56 Ca -0.00 -0.77 0.06 0.00 -0.05 0.00 0.00 56.93 56.17 1ffo s PHE 56 Cb -0.06 -1.75 0.01 0.00 -0.63 0.00 0.00 43.02 40.59 1ffo s PHE 56 CO 0.01 0.29 0.36 -1.12 -0.05 0.00 0.00 175.22 174.71 1ffo s SER 57 N -3.82 4.67 0.65 1.98 0.01 0.80 -4.94 113.70 113.05 1ffo s SER 57 Ca 0.26 -1.14 0.33 0.00 1.31 0.00 0.00 55.95 56.72 1ffo s SER 57 Cb 0.06 0.11 1.83 0.00 0.21 0.00 0.00 66.02 68.23 1ffo s SER 57 CO 0.14 -0.94 2.07 0.11 0.41 0.00 0.00 173.24 175.02 1ffo h LYS 58 N 0.90 0.00 -0.55 12.44 1.79 -2.02 0.29 116.57 129.43 1ffo h LYS 58 Ca -0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1ffo h LYS 58 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1ffo h LYS 58 CO 0.59 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.56 1ffo n ASP 59 N -3.15 3.00 0.00 0.86 5.75 -1.26 -4.91 116.55 116.83 1ffo n ASP 59 Ca -0.01 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 1ffo n ASP 59 Cb 0.31 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1ffo n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1ffo n TRP 60 N 0.90 0.00 -1.26 2.11 7.02 0.10 -5.01 117.44 121.31 1ffo n TRP 60 Ca 0.17 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.33 1ffo n TRP 60 Cb 0.51 -0.10 0.11 0.00 -2.42 0.00 0.00 31.31 29.41 1ffo n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1ffo s SER 61 N -1.74 4.04 0.33 -0.99 1.04 -1.26 -4.56 113.70 110.56 1ffo s SER 61 Ca 0.00 2.18 0.08 0.00 0.48 0.00 0.00 55.95 58.68 1ffo s SER 61 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 1ffo s SER 61 CO 0.00 -2.35 0.26 -0.36 0.98 0.00 0.00 173.24 171.77 1ffo s PHE 62 N -2.36 2.89 -0.00 5.02 0.40 -0.45 -0.14 117.98 123.34 1ffo s PHE 62 Ca 0.69 -0.30 -0.15 0.00 -0.60 0.00 0.00 56.93 56.57 1ffo s PHE 62 Cb -0.24 -1.74 0.02 0.00 0.51 0.00 0.00 43.02 41.57 1ffo s PHE 62 CO 0.50 0.24 0.31 1.52 0.70 0.00 0.00 175.22 178.48 1ffo s TYR 63 N -2.31 -0.17 -0.01 0.36 1.13 -0.56 -1.55 117.35 114.24 1ffo s TYR 63 Ca 0.40 0.22 -0.20 0.00 -1.41 0.00 0.00 57.07 56.08 1ffo s TYR 63 Cb -0.05 0.10 0.04 0.00 -1.10 0.00 0.00 41.96 40.94 1ffo s TYR 63 CO 0.26 -0.41 0.43 -1.50 -2.51 0.00 0.00 175.55 171.81 1ffo s ILE 64 N -1.53 0.04 -0.26 -3.49 2.07 -0.19 -3.42 121.20 114.42 1ffo s ILE 64 Ca -0.12 -0.35 -0.01 0.00 -1.41 0.00 0.00 60.65 58.76 1ffo s ILE 64 Cb -0.04 -0.78 0.03 0.00 0.13 0.00 0.00 42.46 41.80 1ffo s ILE 64 CO 0.03 -0.19 -0.06 -0.22 -1.91 0.00 0.00 174.94 172.59 1ffo s LEU 65 N -1.41 3.30 -0.16 8.50 2.96 -1.26 -1.85 118.68 128.75 1ffo s LEU 65 Ca -0.11 -1.01 -0.08 0.00 -0.22 0.00 0.00 54.13 52.71 1ffo s LEU 65 Cb -0.03 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1ffo s LEU 65 CO 0.05 -0.15 0.11 0.00 -1.32 0.00 0.00 176.35 175.03 1ffo s ALA 66 N 1.28 3.68 0.13 5.97 0.00 -0.35 -0.78 121.76 131.69 1ffo s ALA 66 Ca -0.02 -0.69 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 1ffo s ALA 66 Cb -0.17 -2.02 -0.00 0.00 0.00 0.00 0.00 23.12 20.93 1ffo s ALA 66 CO -0.04 0.34 0.27 -3.38 0.00 0.00 0.00 175.76 172.95 1ffo s HIS 67 N -0.18 0.24 -0.13 0.00 -3.43 0.76 0.21 115.29 112.75 1ffo s HIS 67 Ca 0.10 -0.62 -0.27 0.00 -0.80 0.00 0.00 55.06 53.46 1ffo s HIS 67 Cb -0.12 -0.01 0.07 0.00 -1.43 0.00 0.00 32.58 31.09 1ffo s HIS 67 CO 0.01 -0.66 0.66 -0.08 -2.00 0.00 0.00 174.74 172.66 1ffo s THR 68 N -3.91 0.00 0.56 -5.38 -1.32 -0.98 -0.63 115.64 103.99 1ffo s THR 68 Ca 0.11 -0.03 -0.17 0.00 -1.21 0.00 0.00 61.69 60.39 1ffo s THR 68 Cb 0.04 -0.96 -0.05 0.00 -1.51 0.00 0.00 72.50 70.02 1ffo s THR 68 CO -0.05 -0.02 1.06 -1.61 -2.21 0.00 0.00 174.62 171.79 1ffo s GLU 69 N -0.57 3.44 -0.11 7.08 2.02 -1.26 -1.36 118.70 127.94 1ffo s GLU 69 Ca -0.07 1.27 -0.31 0.00 0.02 0.00 0.00 54.97 55.88 1ffo s GLU 69 Cb -0.02 -2.05 0.12 0.00 0.10 0.00 0.00 34.13 32.28 1ffo s GLU 69 CO 0.06 -0.72 1.04 -0.59 0.02 0.00 0.00 175.26 175.07 1ffo s PHE 70 N -2.30 -0.25 -0.28 1.61 -0.71 -0.47 -4.84 117.98 110.74 1ffo s PHE 70 Ca 0.65 0.21 0.03 0.00 -1.04 0.00 0.00 56.93 56.78 1ffo s PHE 70 Cb -0.17 0.52 0.07 0.00 -1.21 0.00 0.00 43.02 42.23 1ffo s PHE 70 CO 0.32 -0.37 -0.05 0.99 -1.34 0.00 0.00 175.22 174.78 1ffo s THR 71 N -2.50 2.04 0.63 -4.49 2.01 -1.26 -1.02 115.64 111.06 1ffo s THR 71 Ca 0.06 -1.77 -0.18 0.00 0.31 0.00 0.00 61.69 60.12 1ffo s THR 71 Cb -0.01 -2.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 1ffo s THR 71 CO -0.06 -0.23 1.20 -2.16 -0.69 0.00 0.00 174.62 172.68 1ffo s PRO 72 N 1.11 2.76 0.00 4.92 0.04 -1.26 -4.76 135.00 137.82 1ffo s PRO 72 Ca -0.02 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1ffo s PRO 72 Cb -0.19 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1ffo s PRO 72 CO -0.07 -1.35 0.00 0.25 0.04 0.00 0.00 177.00 175.87 1ffo n THR 73 N -1.93 0.00 -0.02 1.26 -2.24 -1.26 0.41 114.28 110.49 1ffo n THR 73 Ca 0.13 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.93 1ffo n THR 73 Cb 0.50 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.64 1ffo n THR 73 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ffo n GLU 74 N 0.00 0.97 -0.06 -0.78 2.13 -1.26 -4.73 120.64 116.91 1ffo n GLU 74 Ca 0.00 -0.07 -0.06 0.00 0.66 0.00 0.00 57.16 57.68 1ffo n GLU 74 Cb 0.00 -1.28 -0.10 0.00 0.27 0.00 0.00 31.44 30.33 1ffo n GLU 74 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1ffo n THR 75 N -2.08 0.86 -1.81 6.31 -2.24 -1.26 -5.00 114.28 109.06 1ffo n THR 75 Ca -0.07 -0.51 -0.41 0.00 -2.27 0.00 0.00 64.05 60.78 1ffo n THR 75 Cb 0.49 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 68.01 1ffo n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ffo s ASP 76 N -4.60 6.40 0.05 3.42 1.01 -1.26 -5.00 116.67 116.69 1ffo s ASP 76 Ca -0.07 2.94 0.05 0.00 0.71 0.00 0.00 52.55 56.18 1ffo s ASP 76 Cb 0.04 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1ffo s ASP 76 CO 0.50 -0.88 -0.09 0.42 0.21 0.00 0.00 175.17 175.32 1ffo s THR 77 N -0.25 3.42 0.15 -1.27 -4.23 -1.26 -4.76 115.64 107.44 1ffo s THR 77 Ca 0.61 -1.04 0.05 0.00 -1.18 0.00 0.00 61.69 60.12 1ffo s THR 77 Cb -0.47 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 1ffo s THR 77 CO 0.51 0.26 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.42 1ffo s TYR 78 N -1.09 1.35 0.25 3.99 1.51 -1.26 0.12 117.35 122.22 1ffo s TYR 78 Ca 0.19 -0.70 -0.20 0.00 -1.01 0.00 0.00 57.07 55.35 1ffo s TYR 78 Cb -0.11 -0.68 0.07 0.00 -0.11 0.00 0.00 41.96 41.13 1ffo s TYR 78 CO 0.10 0.14 0.93 0.00 -1.11 0.00 0.00 175.55 175.61 1ffo s ALA 79 N -3.10 -1.30 -0.04 3.71 0.00 -0.58 -1.64 121.76 118.80 1ffo s ALA 79 Ca 0.16 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.73 1ffo s ALA 79 Cb 0.01 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1ffo s ALA 79 CO 0.02 -1.04 -0.08 0.00 0.00 0.00 0.00 175.76 174.67 1ffo s ARG 81 N 0.47 3.06 -0.10 0.00 3.52 0.07 -0.61 118.95 125.35 1ffo s ARG 81 Ca -0.07 -0.85 0.02 0.00 -0.13 0.00 0.00 55.73 54.70 1ffo s ARG 81 Cb -0.11 -2.43 0.01 0.00 -1.56 0.00 0.00 34.95 30.86 1ffo s ARG 81 CO 0.01 0.04 -0.16 0.08 -0.81 0.00 0.00 175.30 174.46 1ffo s VAL 82 N 0.69 1.54 -0.15 7.11 1.01 0.26 -0.40 120.40 130.45 1ffo s VAL 82 Ca -0.10 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1ffo s VAL 82 Cb -0.16 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1ffo s VAL 82 CO 0.01 0.45 -0.13 -0.75 0.00 0.00 0.00 175.10 174.68 1ffo s LYS 83 N 0.83 3.30 -0.06 2.72 2.20 -0.37 -1.15 119.74 127.21 1ffo s LYS 83 Ca -0.10 -0.71 -0.06 0.00 -0.36 0.00 0.00 55.97 54.74 1ffo s LYS 83 Cb -0.16 -2.68 0.02 0.00 -1.51 0.00 0.00 37.83 33.50 1ffo s LYS 83 CO 0.01 0.06 0.17 -1.58 -0.36 0.00 0.00 175.35 173.65 1ffo s HIS 84 N 0.73 -0.18 -1.72 4.03 2.46 -1.26 -2.04 115.29 117.31 1ffo s HIS 84 Ca -0.06 0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.91 1ffo s HIS 84 Cb -0.15 0.06 0.00 0.00 -0.13 0.00 0.00 32.58 32.36 1ffo s HIS 84 CO 0.02 -0.10 0.28 -0.25 -2.47 0.00 0.00 174.74 172.22 1ffo n ASP 85 N 2.93 0.00 -0.88 9.88 8.00 -1.26 -0.88 116.55 134.34 1ffo n ASP 85 Ca -0.13 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.47 1ffo n ASP 85 Cb 0.59 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.81 1ffo n ASP 85 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ffo n SER 86 N -0.76 2.88 -3.92 -2.24 3.41 -1.26 -4.84 113.62 106.89 1ffo n SER 86 Ca 0.00 -1.87 -0.28 0.00 -0.26 0.00 0.00 58.87 56.46 1ffo n SER 86 Cb 0.00 -0.09 -0.17 0.00 -0.26 0.00 0.00 64.21 63.70 1ffo n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1ffo s MET 87 N -1.54 1.63 0.00 4.33 -1.94 -0.06 -4.65 119.30 117.07 1ffo s MET 87 Ca 0.27 -0.39 0.00 0.00 -1.71 0.00 0.00 55.69 53.87 1ffo s MET 87 Cb 0.18 -1.80 0.00 0.00 2.01 0.00 0.00 34.83 35.22 1ffo s MET 87 CO 0.26 -0.31 0.38 0.00 -0.01 0.00 0.00 175.02 175.34 1ffo n ALA 88 N 4.89 0.97 -3.54 3.03 0.00 -1.26 -4.54 120.51 120.07 1ffo n ALA 88 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1ffo n ALA 88 Cb 0.49 -0.67 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 1ffo n ALA 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ffo s GLU 89 N -1.76 0.76 0.48 0.00 -1.05 -1.26 -5.15 118.70 110.72 1ffo s GLU 89 Ca 0.00 -0.02 -0.23 0.00 -0.15 0.00 0.00 54.97 54.57 1ffo s GLU 89 Cb 0.00 0.36 -0.07 0.00 -0.44 0.00 0.00 34.13 33.98 1ffo s GLU 89 CO 0.00 -0.28 1.25 -1.25 0.95 0.00 0.00 175.26 175.93 1ffo s PRO 90 N -1.94 3.60 -0.13 -4.83 0.04 -1.26 -4.82 135.00 125.66 1ffo s PRO 90 Ca -0.01 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 1ffo s PRO 90 Cb -0.01 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 1ffo s PRO 90 CO -0.02 -0.74 -0.10 0.21 0.04 0.00 0.00 177.00 176.39 1ffo s LYS 91 N -2.68 3.36 -0.07 4.56 2.20 -0.30 -4.93 119.74 121.89 1ffo s LYS 91 Ca 0.65 -0.63 0.03 0.00 -0.36 0.00 0.00 55.97 55.66 1ffo s LYS 91 Cb -0.34 -2.70 -0.02 0.00 -1.51 0.00 0.00 37.83 33.26 1ffo s LYS 91 CO 0.41 0.29 -0.15 0.99 -0.36 0.00 0.00 175.35 176.53 1ffo s THR 92 N 0.19 3.00 -0.05 3.43 2.01 -1.26 -0.58 115.64 122.38 1ffo s THR 92 Ca -0.06 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.21 1ffo s THR 92 Cb -0.15 -2.18 0.02 0.00 0.01 0.00 0.00 72.50 70.20 1ffo s THR 92 CO 0.04 0.58 -0.02 0.54 -0.69 0.00 0.00 174.62 175.07 1ffo s VAL 93 N -0.49 0.43 0.46 3.82 0.11 0.22 -4.96 120.40 119.99 1ffo s VAL 93 Ca 0.06 -0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 58.97 1ffo s VAL 93 Cb -0.12 -0.51 -0.07 0.00 -1.53 0.00 0.00 36.38 34.15 1ffo s VAL 93 CO 0.02 0.22 0.87 -0.31 -3.33 0.00 0.00 175.10 172.57 1ffo s TYR 94 N 1.26 3.47 -0.16 1.54 1.51 -1.26 -0.82 117.35 122.89 1ffo s TYR 94 Ca -0.06 1.23 -0.23 0.00 -1.01 0.00 0.00 57.07 57.00 1ffo s TYR 94 Cb -0.14 -2.60 -0.02 0.00 -0.11 0.00 0.00 41.96 39.09 1ffo s TYR 94 CO -0.02 -0.24 0.72 -0.46 -1.11 0.00 0.00 175.55 174.45 1ffo s TRP 95 N -2.50 3.44 -0.38 2.71 -0.00 -0.65 -4.88 118.94 116.68 1ffo s TRP 95 Ca 0.55 1.12 -0.01 0.00 -0.00 0.00 0.00 56.10 57.76 1ffo s TRP 95 Cb -0.10 -2.88 0.10 0.00 -0.00 0.00 0.00 33.47 30.59 1ffo s TRP 95 CO 0.32 -0.14 0.14 0.34 -0.00 0.00 0.00 176.95 177.60 1ffo s ASP 96 N 1.09 5.07 0.00 5.86 -1.08 -1.26 -4.74 116.67 121.61 1ffo s ASP 96 Ca 0.34 -1.98 0.00 0.00 -0.52 0.00 0.00 52.55 50.39 1ffo s ASP 96 Cb -0.16 -1.76 0.00 0.00 -1.46 0.00 0.00 42.92 39.54 1ffo s ASP 96 CO 0.13 -0.46 0.45 -2.11 0.52 0.00 0.00 175.17 173.70 1ffo n ARG 97 N 4.50 0.00 -0.45 4.34 1.85 -1.26 -0.11 116.66 125.53 1ffo n ARG 97 Ca -0.02 0.08 0.09 0.00 -1.00 0.00 0.00 57.85 57.00 1ffo n ARG 97 Cb 0.42 -1.75 0.29 0.00 -1.05 0.00 0.00 32.46 30.37 1ffo n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1ffo n ASP 98 N -0.95 4.10 0.00 2.89 8.00 -1.26 -4.86 116.55 124.47 1ffo n ASP 98 Ca 0.00 -2.35 0.00 0.00 0.71 0.00 0.00 54.79 53.15 1ffo n ASP 98 Cb 0.25 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1ffo n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04