#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfj s ALA 2 N 0.00 2.05 -0.05 -5.12 0.00 -1.26 -5.01 121.76 112.37 1pfj s ALA 2 Ca 0.00 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.90 1pfj s ALA 2 Cb 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1pfj s ALA 2 CO 0.00 0.50 -0.02 2.41 0.00 0.00 0.00 175.76 178.65 1pfj n THR 3 N 2.40 0.30 -0.91 0.00 -1.04 -1.26 -5.08 114.28 108.69 1pfj n THR 3 Ca -0.16 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1pfj n THR 3 Cb 0.52 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 1pfj n THR 3 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1pfj n SER 4 N -2.45 0.00 0.00 8.00 2.88 -1.26 -5.13 113.62 115.66 1pfj n SER 4 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1pfj n SER 4 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1pfj n SER 4 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1pfj n SER 5 N 0.00 0.00 -4.74 -3.46 7.64 -1.26 -5.01 113.62 106.78 1pfj n SER 5 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1pfj n SER 5 Cb 0.00 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.31 1pfj n SER 5 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1pfj s GLU 6 N 0.00 1.81 -0.25 1.43 8.01 -1.26 -5.02 118.70 123.41 1pfj s GLU 6 Ca 0.00 1.07 0.03 0.00 0.01 0.00 0.00 54.97 56.07 1pfj s GLU 6 Cb 0.00 -1.85 0.06 0.00 -4.31 0.00 0.00 34.13 28.03 1pfj s GLU 6 CO 0.00 -1.93 -0.10 -1.21 0.01 0.00 0.00 175.26 172.03 1pfj s GLU 7 N -4.90 2.16 0.17 1.61 2.02 -1.26 -5.05 118.70 113.45 1pfj s GLU 7 Ca 0.62 -1.28 0.02 0.00 0.02 0.00 0.00 54.97 54.35 1pfj s GLU 7 Cb -0.18 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 1pfj s GLU 7 CO 0.57 -0.56 0.32 0.14 0.02 0.00 0.00 175.26 175.74 1pfj s VAL 8 N 1.15 5.29 -0.25 2.63 -7.23 -1.26 -3.43 120.40 117.30 1pfj s VAL 8 Ca -0.08 -0.60 -0.00 0.00 -1.81 0.00 0.00 61.98 59.49 1pfj s VAL 8 Cb -0.20 -3.75 -0.17 0.00 0.56 0.00 0.00 36.38 32.82 1pfj s VAL 8 CO -0.05 -0.13 -0.18 -0.11 -0.31 0.00 0.00 175.10 174.31 1pfj n LEU 9 N -0.63 2.87 -3.60 1.32 7.94 -1.19 -4.79 117.00 118.93 1pfj n LEU 9 Ca -0.06 -0.07 -0.06 0.00 -1.11 0.00 0.00 56.01 54.70 1pfj n LEU 9 Cb 0.54 -0.92 -0.02 0.00 0.53 0.00 0.00 43.42 43.55 1pfj n LEU 9 CO 0.48 0.90 0.70 -0.22 -1.11 0.00 0.00 177.39 178.15 1pfj s LEU 10 N -6.65 -0.29 -0.00 -1.96 2.96 -0.99 -5.03 118.68 106.72 1pfj s LEU 10 Ca -0.34 -0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 53.41 1pfj s LEU 10 Cb 0.09 2.07 -0.00 0.00 0.50 0.00 0.00 46.19 48.85 1pfj s LEU 10 CO 0.61 -0.72 0.01 -0.51 -1.32 0.00 0.00 176.35 174.41 1pfj s ILE 11 N -3.18 0.01 -0.31 6.68 -1.16 -1.26 0.16 121.20 122.14 1pfj s ILE 11 Ca 0.08 -0.05 0.01 0.00 -0.51 0.00 0.00 60.65 60.18 1pfj s ILE 11 Cb -0.01 -0.04 0.09 0.00 0.61 0.00 0.00 42.46 43.12 1pfj s ILE 11 CO -0.05 -0.03 0.06 0.68 -2.81 0.00 0.00 174.94 172.79 1pfj s VAL 12 N -0.08 1.53 0.46 4.00 -7.23 0.59 -4.95 120.40 114.71 1pfj s VAL 12 Ca -0.01 -1.75 0.22 0.00 -1.81 0.00 0.00 61.98 58.63 1pfj s VAL 12 Cb -0.01 -2.09 0.22 0.00 0.56 0.00 0.00 36.38 35.06 1pfj s VAL 12 CO -0.00 -0.56 1.64 0.07 -0.31 0.00 0.00 175.10 175.94 1pfj h LYS 13 N 7.88 0.00 -4.90 4.82 -0.00 -1.91 0.52 116.57 122.98 1pfj h LYS 13 Ca -0.10 0.00 -0.67 0.00 -0.00 0.00 0.00 60.65 59.87 1pfj h LYS 13 Cb 1.03 0.00 -0.32 0.00 -0.00 0.00 0.00 32.23 32.94 1pfj h LYS 13 CO 0.48 0.00 -0.74 0.21 -0.00 0.00 0.00 179.45 179.40 1pfj s LYS 14 N -3.83 2.80 -0.05 0.07 2.47 -1.26 -3.56 119.74 116.38 1pfj s LYS 14 Ca -0.02 -1.00 -0.16 0.00 -1.56 0.00 0.00 55.97 53.23 1pfj s LYS 14 Cb 0.06 -3.00 0.03 0.00 -1.46 0.00 0.00 37.83 33.46 1pfj s LYS 14 CO 0.20 -0.42 0.36 0.08 0.16 0.00 0.00 175.35 175.73 1pfj s VAL 15 N 1.32 0.04 -0.09 4.02 1.01 0.20 -4.70 120.40 122.20 1pfj s VAL 15 Ca -0.00 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1pfj s VAL 15 Cb -0.17 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1pfj s VAL 15 CO -0.04 -0.18 -0.16 -0.60 0.00 0.00 0.00 175.10 174.12 1pfj s ARG 16 N -0.95 2.22 -0.01 2.72 6.06 0.77 0.22 118.95 129.98 1pfj s ARG 16 Ca -0.10 -0.58 0.02 0.00 -2.50 0.00 0.00 55.73 52.56 1pfj s ARG 16 Cb -0.04 -1.78 -0.00 0.00 0.06 0.00 0.00 34.95 33.19 1pfj s ARG 16 CO 0.04 0.05 -0.07 1.14 -2.50 0.00 0.00 175.30 173.96 1pfj s GLN 17 N 0.64 0.61 0.52 5.12 -2.07 0.16 0.59 119.66 125.22 1pfj s GLN 17 Ca -0.14 -0.23 0.12 0.00 -1.82 0.00 0.00 55.36 53.29 1pfj s GLN 17 Cb -0.16 -0.60 0.41 0.00 -1.09 0.00 0.00 33.01 31.57 1pfj s GLN 17 CO 0.04 0.12 0.95 1.63 -1.32 0.00 0.00 175.29 176.71 1pfj n LYS 18 N 3.08 0.02 -0.06 9.60 4.01 -1.26 0.69 118.16 134.23 1pfj n LYS 18 Ca -0.15 0.81 -0.05 0.00 -0.51 0.00 0.00 58.31 58.41 1pfj n LYS 18 Cb 0.56 -2.09 -0.04 0.00 -0.51 0.00 0.00 35.03 32.95 1pfj n LYS 18 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 1pfj h LYS 19 N 0.00 0.00 -3.65 1.97 2.10 -1.93 -3.49 116.57 111.57 1pfj h LYS 19 Ca 0.22 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.81 1pfj h LYS 19 Cb 2.07 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 33.30 1pfj h LYS 19 CO -0.00 0.32 -0.13 -0.65 -2.00 0.00 0.00 179.45 176.99 1pfj s GLN 20 N -1.82 1.49 -0.15 0.07 -1.52 0.22 -5.13 119.66 112.82 1pfj s GLN 20 Ca -0.07 -1.21 -0.05 0.00 -1.95 0.00 0.00 55.36 52.07 1pfj s GLN 20 Cb -0.00 0.46 -0.04 0.00 -0.22 0.00 0.00 33.01 33.21 1pfj s GLN 20 CO 0.23 -0.61 0.03 0.16 -0.25 0.00 0.00 175.29 174.85 1pfj s ASP 21 N -3.00 5.39 0.19 5.90 -4.77 -1.26 0.35 116.67 119.47 1pfj s ASP 21 Ca 0.21 0.07 -0.23 0.00 -3.30 0.00 0.00 52.55 49.30 1pfj s ASP 21 Cb -0.00 -1.81 0.05 0.00 -1.09 0.00 0.00 42.92 40.07 1pfj s ASP 21 CO 0.07 0.24 0.75 -0.83 0.70 0.00 0.00 175.17 176.10 1pfj s GLY 22 N -0.03 -0.30 0.10 2.12 0.00 0.60 -4.90 107.32 104.92 1pfj s GLY 22 Ca 0.05 0.13 -0.25 0.00 0.00 0.00 0.00 44.72 44.65 1pfj s GLY 22 CO 0.02 0.04 0.76 0.00 0.00 0.00 0.00 173.10 173.91 1pfj s ALA 23 N -3.67 3.42 -0.12 3.20 0.00 0.34 0.60 121.76 125.53 1pfj s ALA 23 Ca 0.08 0.30 -0.03 0.00 0.00 0.00 0.00 51.96 52.31 1pfj s ALA 23 Cb -0.03 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 1pfj s ALA 23 CO -0.01 0.19 -0.03 -0.51 0.00 0.00 0.00 175.76 175.41 1pfj s LEU 24 N -0.62 3.37 -0.08 0.00 1.43 0.18 0.11 118.68 123.07 1pfj s LEU 24 Ca 0.37 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1pfj s LEU 24 Cb -0.22 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1pfj s LEU 24 CO 0.24 0.27 -0.08 -0.31 0.23 0.00 0.00 176.35 176.70 1pfj s TYR 25 N -0.21 2.91 -0.05 0.29 1.51 0.34 0.22 117.35 122.36 1pfj s TYR 25 Ca 0.04 -0.11 0.06 0.00 -1.01 0.00 0.00 57.07 56.05 1pfj s TYR 25 Cb -0.13 -1.75 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1pfj s TYR 25 CO 0.02 0.21 -0.24 -1.17 -1.11 0.00 0.00 175.55 173.27 1pfj s LEU 26 N -0.52 2.15 0.01 -1.29 0.20 0.42 0.96 118.68 120.62 1pfj s LEU 26 Ca 0.08 -0.47 0.04 0.00 0.69 0.00 0.00 54.13 54.47 1pfj s LEU 26 Cb -0.12 -1.39 -0.02 0.00 -0.43 0.00 0.00 46.19 44.23 1pfj s LEU 26 CO 0.02 0.26 -0.14 -0.32 -0.29 0.00 0.00 176.35 175.89 1pfj s MET 27 N -0.28 1.01 0.18 1.98 -2.45 0.35 -2.33 119.30 117.77 1pfj s MET 27 Ca 0.00 -0.62 -0.25 0.00 -1.25 0.00 0.00 55.69 53.57 1pfj s MET 27 Cb -0.13 -1.00 0.07 0.00 1.25 0.00 0.00 34.83 35.02 1pfj s MET 27 CO 0.03 0.26 1.55 0.00 1.05 0.00 0.00 175.02 177.91 1pfj h ALA 28 N 5.37 -0.24 -0.00 4.11 0.00 -1.86 0.46 119.26 127.09 1pfj h ALA 28 Ca -0.36 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1pfj h ALA 28 Cb 1.17 1.09 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1pfj h ALA 28 CO 0.46 -0.81 -0.27 -1.91 0.00 0.00 0.00 179.25 176.73 1pfj n GLU 29 N -5.38 0.16 -3.55 0.00 4.07 -1.26 -4.80 120.64 109.87 1pfj n GLU 29 Ca 0.04 -0.07 -0.10 0.00 -0.06 0.00 0.00 57.16 56.97 1pfj n GLU 29 Cb 0.34 -1.50 -0.02 0.00 -0.06 0.00 0.00 31.44 30.20 1pfj n GLU 29 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 1pfj s ARG 30 N -2.89 1.39 -0.16 5.31 3.03 0.15 0.12 118.95 125.90 1pfj s ARG 30 Ca 0.16 -0.60 -0.03 0.00 2.03 0.00 0.00 55.73 57.28 1pfj s ARG 30 Cb 0.18 0.58 -0.02 0.00 -1.03 0.00 0.00 34.95 34.66 1pfj s ARG 30 CO 0.60 -0.62 -0.04 0.42 -1.13 0.00 0.00 175.30 174.53 1pfj s ILE 31 N -3.74 3.77 0.20 4.99 1.01 -0.09 0.13 121.20 127.47 1pfj s ILE 31 Ca 0.04 -0.39 0.09 0.00 0.00 0.00 0.00 60.65 60.39 1pfj s ILE 31 Cb -0.02 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 1pfj s ILE 31 CO -0.07 0.48 -0.06 0.00 0.00 0.00 0.00 174.94 175.29 1pfj s ALA 32 N 0.51 3.03 0.00 9.38 0.00 0.27 -0.36 121.76 134.60 1pfj s ALA 32 Ca -0.04 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.44 1pfj s ALA 32 Cb -0.14 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 1pfj s ALA 32 CO 0.03 0.43 -0.03 -0.46 0.00 0.00 0.00 175.76 175.73 1pfj s TRP 33 N -1.85 0.23 -0.15 0.00 -0.00 -0.41 0.13 118.94 116.89 1pfj s TRP 33 Ca 0.27 -0.08 -0.11 0.00 -0.00 0.00 0.00 56.10 56.18 1pfj s TRP 33 Cb -0.08 -0.15 0.05 0.00 -0.00 0.00 0.00 33.47 33.28 1pfj s TRP 33 CO 0.17 -0.01 0.38 0.00 -0.00 0.00 0.00 176.95 177.48 1pfj s ALA 34 N -0.17 -0.95 -0.05 5.86 0.00 0.30 0.48 121.76 127.24 1pfj s ALA 34 Ca -0.00 1.23 -0.07 0.00 0.00 0.00 0.00 51.96 53.11 1pfj s ALA 34 Cb -0.02 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 1pfj s ALA 34 CO -0.00 -0.21 -0.15 -0.35 0.00 0.00 0.00 175.76 175.05 1pfj n PRO 35 N 3.45 0.24 -3.18 0.00 -0.04 -1.26 0.13 135.00 134.33 1pfj n PRO 35 Ca -0.18 0.10 0.02 0.00 -0.04 0.00 0.00 63.50 63.41 1pfj n PRO 35 Cb 0.56 -0.91 -0.01 0.00 -0.04 0.00 0.00 33.50 33.11 1pfj n PRO 35 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1pfj s GLU 36 N -2.33 0.69 0.00 0.54 -6.30 -1.26 -4.77 118.70 105.27 1pfj s GLU 36 Ca -0.14 0.09 0.00 0.00 -2.50 0.00 0.00 54.97 52.42 1pfj s GLU 36 Cb 0.03 0.16 0.00 0.00 0.00 0.00 0.00 34.13 34.33 1pfj s GLU 36 CO 0.19 -1.11 0.00 0.41 0.02 0.00 0.00 175.26 174.77 1pfj n GLY 37 N 4.84 3.15 0.02 -1.50 0.00 -1.26 -5.06 105.19 105.39 1pfj n GLY 37 Ca 0.08 -1.18 0.04 0.00 0.00 0.00 0.00 46.02 44.96 1pfj n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pfj n LYS 38 N 0.00 0.77 -1.73 1.61 4.01 -1.26 -4.96 118.16 116.60 1pfj n LYS 38 Ca 0.00 -0.10 -0.32 0.00 -0.51 0.00 0.00 58.31 57.38 1pfj n LYS 38 Cb 0.00 -1.33 0.04 0.00 -0.51 0.00 0.00 35.03 33.24 1pfj n LYS 38 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1pfj s ASP 39 N -3.81 5.30 0.58 4.39 2.15 -1.26 -4.81 116.67 119.21 1pfj s ASP 39 Ca -0.05 1.83 0.31 0.00 0.43 0.00 0.00 52.55 55.06 1pfj s ASP 39 Cb 0.08 -2.53 1.37 0.00 -0.30 0.00 0.00 42.92 41.54 1pfj s ASP 39 CO 0.56 -1.50 1.71 0.03 -0.17 0.00 0.00 175.17 175.80 1pfj h ARG 40 N -0.18 0.00 0.00 4.34 -0.00 -1.99 -3.42 114.38 113.13 1pfj h ARG 40 Ca -0.46 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.01 1pfj h ARG 40 Cb 1.23 0.00 0.01 0.00 0.00 0.00 0.00 29.97 31.20 1pfj h ARG 40 CO 0.55 0.00 0.17 1.97 0.00 0.00 0.00 179.97 182.66 1pfj n PHE 41 N -3.71 -1.82 -0.02 3.04 -1.74 -1.26 -4.86 117.46 107.09 1pfj n PHE 41 Ca 0.18 -1.11 -0.18 0.00 -0.56 0.00 0.00 57.45 55.78 1pfj n PHE 41 Cb 1.08 0.55 -0.14 0.00 1.52 0.00 0.00 39.48 42.50 1pfj n PHE 41 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 1pfj n THR 42 N -0.32 1.71 -4.17 1.97 5.66 1.77 -4.87 114.28 116.03 1pfj n THR 42 Ca -0.05 -0.68 -0.13 0.00 -3.05 0.00 0.00 64.05 60.14 1pfj n THR 42 Cb 0.35 -1.52 -0.09 0.00 -1.55 0.00 0.00 70.33 67.53 1pfj n THR 42 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1pfj s ILE 43 N -2.56 0.00 -0.30 1.09 -0.00 -0.32 -4.91 121.20 114.20 1pfj s ILE 43 Ca -0.20 -1.87 -0.07 0.00 -0.00 0.00 0.00 60.65 58.52 1pfj s ILE 43 Cb 0.07 -2.46 0.16 0.00 -0.00 0.00 0.00 42.46 40.24 1pfj s ILE 43 CO 0.77 0.00 0.69 -0.94 -0.00 0.00 0.00 174.94 175.46 1pfj s SER 44 N -3.17 -1.14 -0.19 4.36 1.04 -1.24 -1.29 113.70 112.08 1pfj s SER 44 Ca 0.36 1.12 -0.04 0.00 0.48 0.00 0.00 55.95 57.86 1pfj s SER 44 Cb 0.05 2.12 -0.02 0.00 0.10 0.00 0.00 66.02 68.26 1pfj s SER 44 CO 0.14 -0.21 -0.03 -1.00 0.98 0.00 0.00 173.24 173.12 1pfj s HIS 45 N 2.84 3.00 -0.37 5.02 0.09 0.51 -4.85 115.29 121.53 1pfj s HIS 45 Ca 0.06 -0.51 -0.28 0.00 -0.00 0.00 0.00 55.06 54.32 1pfj s HIS 45 Cb -0.12 -2.04 -0.02 0.00 -0.00 0.00 0.00 32.58 30.40 1pfj s HIS 45 CO -0.19 -0.24 1.76 -1.64 -0.00 0.00 0.00 174.74 174.43 1pfj s MET 46 N 0.87 3.29 0.34 1.40 -1.94 -1.26 -0.92 119.30 121.09 1pfj s MET 46 Ca -0.00 1.28 0.15 0.00 -1.71 0.00 0.00 55.69 55.41 1pfj s MET 46 Cb -0.14 -4.19 1.14 0.00 2.01 0.00 0.00 34.83 33.64 1pfj s MET 46 CO 0.02 -1.91 1.51 0.66 -0.01 0.00 0.00 175.02 175.28 1pfj n TYR 47 N 10.36 0.98 -0.08 -0.03 4.01 0.32 0.22 117.16 132.95 1pfj n TYR 47 Ca 0.22 1.14 -0.11 0.00 -0.16 0.00 0.00 57.90 58.98 1pfj n TYR 47 Cb 0.47 -1.45 -0.05 0.00 -0.31 0.00 0.00 39.34 38.01 1pfj n TYR 47 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pfj h ALA 48 N 1.92 0.31 -1.23 -0.72 0.00 -1.88 -1.18 119.26 116.47 1pfj h ALA 48 Ca 0.75 -0.21 0.36 0.00 0.00 0.00 0.00 54.91 55.80 1pfj h ALA 48 Cb 1.90 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 1pfj h ALA 48 CO -0.78 0.04 0.87 -0.44 0.00 0.00 0.00 179.25 178.94 1pfj h ASP 49 N 0.18 0.09 -2.99 0.00 5.19 0.24 -3.39 116.42 115.74 1pfj h ASP 49 Ca 0.07 0.02 -0.61 0.00 -0.62 0.00 0.00 57.03 55.88 1pfj h ASP 49 Cb 0.40 0.01 -0.11 0.00 0.18 0.00 0.00 39.33 39.82 1pfj h ASP 49 CO 0.01 0.00 -0.65 0.27 -3.12 0.00 0.00 179.24 175.76 1pfj s ILE 50 N -5.05 3.91 -0.26 0.35 -5.25 -0.37 -3.29 121.20 111.23 1pfj s ILE 50 Ca -0.06 -1.25 -0.02 0.00 -0.99 0.00 0.00 60.65 58.33 1pfj s ILE 50 Cb 0.24 -2.94 0.11 0.00 2.95 0.00 0.00 42.46 42.82 1pfj s ILE 50 CO 0.81 -0.04 0.23 -0.75 -1.79 0.00 0.00 174.94 173.40 1pfj s LYS 51 N -2.78 0.25 0.00 0.37 2.47 0.45 -4.66 119.74 115.84 1pfj s LYS 51 Ca 0.27 -0.15 0.00 0.00 -1.56 0.00 0.00 55.97 54.54 1pfj s LYS 51 Cb -0.10 -0.97 0.00 0.00 -1.46 0.00 0.00 37.83 35.30 1pfj s LYS 51 CO 0.19 -0.92 0.00 0.00 0.16 0.00 0.00 175.35 174.78 1pfj s GLN 53 N 0.00 0.09 -0.16 0.00 -1.52 -1.26 -1.66 119.66 115.15 1pfj s GLN 53 Ca 0.00 0.50 -0.04 0.00 -1.95 0.00 0.00 55.36 53.86 1pfj s GLN 53 Cb 0.00 -0.20 0.06 0.00 -0.22 0.00 0.00 33.01 32.66 1pfj s GLN 53 CO 0.00 -0.23 0.12 0.21 -0.25 0.00 0.00 175.29 175.14 1pfj s LYS 54 N 1.73 0.07 -0.30 2.91 2.20 0.35 -5.00 119.74 121.69 1pfj s LYS 54 Ca -0.04 0.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.67 1pfj s LYS 54 Cb -0.12 -1.43 0.09 0.00 -1.51 0.00 0.00 37.83 34.86 1pfj s LYS 54 CO -0.06 -0.60 0.05 0.42 -0.36 0.00 0.00 175.35 174.79 1pfj s ILE 55 N 2.20 1.52 -0.13 5.43 1.09 -1.26 -1.62 121.20 128.43 1pfj s ILE 55 Ca 0.04 -1.70 0.18 0.00 -1.10 0.00 0.00 60.65 58.07 1pfj s ILE 55 Cb -0.15 -2.06 0.29 0.00 -1.06 0.00 0.00 42.46 39.48 1pfj s ILE 55 CO -0.09 -0.52 1.16 -1.20 -0.10 0.00 0.00 174.94 174.19 1pfj n SER 56 N 4.59 2.43 0.01 3.58 7.64 -1.26 -4.67 113.62 125.94 1pfj n SER 56 Ca -0.02 -3.03 0.03 0.00 1.01 0.00 0.00 58.87 56.86 1pfj n SER 56 Cb 0.43 -0.42 0.13 0.00 -1.01 0.00 0.00 64.21 63.34 1pfj n SER 56 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1pfj n PRO 57 N -1.33 0.01 0.21 1.43 -0.04 -1.26 -1.63 135.00 132.39 1pfj n PRO 57 Ca 0.16 0.42 0.17 0.00 -0.04 0.00 0.00 63.50 64.20 1pfj n PRO 57 Cb 0.64 -1.52 0.73 0.00 -0.04 0.00 0.00 33.50 33.31 1pfj n PRO 57 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1pfj h GLU 58 N 0.00 0.00 0.00 0.54 4.22 -1.94 -2.10 114.58 115.30 1pfj h GLU 58 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1pfj h GLU 58 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1pfj h GLU 58 CO 0.00 0.00 -0.32 0.41 -2.18 0.00 0.00 179.01 176.92 1pfj n GLY 59 N -1.37 -0.17 0.00 1.92 0.00 -0.65 -5.07 105.19 99.86 1pfj n GLY 59 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1pfj n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pfj n LYS 60 N 0.00 0.00 0.00 1.61 4.76 -0.79 -5.04 118.16 118.70 1pfj n LYS 60 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1pfj n LYS 60 Cb 0.63 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.82 1pfj n LYS 60 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pfj n ALA 61 N -3.00 2.62 -2.68 7.82 0.00 -1.26 -4.97 120.51 119.03 1pfj n ALA 61 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1pfj n ALA 61 Cb 0.00 0.47 0.12 0.00 0.00 0.00 0.00 19.45 20.04 1pfj n ALA 61 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1pfj n LYS 62 N -2.76 1.30 -1.81 0.00 0.00 -1.26 -5.06 118.16 108.57 1pfj n LYS 62 Ca 0.00 -1.52 -0.01 0.00 -0.00 0.00 0.00 58.31 56.78 1pfj n LYS 62 Cb 0.47 0.19 0.00 0.00 -0.00 0.00 0.00 35.03 35.69 1pfj n LYS 62 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1pfj n ILE 63 N -1.13 -4.23 -4.97 0.58 3.06 -1.26 -4.30 119.36 107.11 1pfj n ILE 63 Ca -0.11 0.29 -0.28 0.00 -2.50 0.00 0.00 62.75 60.15 1pfj n ILE 63 Cb 0.87 -4.75 -0.16 0.00 0.54 0.00 0.00 39.64 36.13 1pfj n ILE 63 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1pfj s GLN 64 N -1.03 2.08 0.25 9.51 -2.07 -1.26 -2.97 119.66 124.17 1pfj s GLN 64 Ca 0.04 -0.70 0.07 0.00 -1.82 0.00 0.00 55.36 52.94 1pfj s GLN 64 Cb -0.01 -1.77 -0.05 0.00 -1.09 0.00 0.00 33.01 30.09 1pfj s GLN 64 CO 0.18 0.27 -0.08 -0.48 -1.32 0.00 0.00 175.29 173.86 1pfj s LEU 65 N 0.03 2.47 -0.10 2.60 -0.00 -0.12 -3.98 118.68 119.59 1pfj s LEU 65 Ca -0.05 -1.15 -0.05 0.00 -0.00 0.00 0.00 54.13 52.88 1pfj s LEU 65 Cb -0.13 -0.60 0.04 0.00 -0.00 0.00 0.00 46.19 45.50 1pfj s LEU 65 CO 0.03 -0.32 0.23 -1.58 -0.00 0.00 0.00 176.35 174.71 1pfj s GLN 66 N -3.72 0.20 0.04 1.48 0.74 -0.64 -1.83 119.66 115.93 1pfj s GLN 66 Ca 0.27 0.47 0.02 0.00 0.05 0.00 0.00 55.36 56.18 1pfj s GLN 66 Cb 0.03 -0.09 -0.02 0.00 1.10 0.00 0.00 33.01 34.02 1pfj s GLN 66 CO 0.10 -0.14 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.45 1pfj s LEU 67 N 1.07 2.26 0.16 3.68 0.20 -0.30 -0.50 118.68 125.26 1pfj s LEU 67 Ca -0.08 -0.56 0.07 0.00 0.69 0.00 0.00 54.13 54.25 1pfj s LEU 67 Cb -0.09 -0.14 -0.04 0.00 -0.43 0.00 0.00 46.19 45.48 1pfj s LEU 67 CO -0.07 -0.22 -0.14 -0.69 -0.29 0.00 0.00 176.35 174.95 1pfj s VAL 68 N -1.43 1.50 0.18 1.68 1.01 -0.66 0.25 120.40 122.93 1pfj s VAL 68 Ca -0.10 -2.00 -0.13 0.00 0.00 0.00 0.00 61.98 59.75 1pfj s VAL 68 Cb -0.10 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.39 1pfj s VAL 68 CO 0.00 -0.54 0.56 -0.76 0.00 0.00 0.00 175.10 174.36 1pfj s LEU 69 N -2.95 4.27 0.50 3.92 1.43 0.36 0.17 118.68 126.38 1pfj s LEU 69 Ca 0.16 1.05 0.34 0.00 -1.03 0.00 0.00 54.13 54.66 1pfj s LEU 69 Cb -0.02 -3.44 1.47 0.00 0.03 0.00 0.00 46.19 44.23 1pfj s LEU 69 CO 0.04 0.03 1.72 0.45 0.23 0.00 0.00 176.35 178.83 1pfj h HIS 70 N 3.19 0.24 -0.35 0.29 3.86 -1.78 -3.36 115.15 117.23 1pfj h HIS 70 Ca -0.48 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1pfj h HIS 70 Cb 1.19 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1pfj h HIS 70 CO 0.64 -0.03 0.00 0.00 0.86 0.00 0.00 177.93 179.40 1pfj n ALA 71 N -2.69 0.00 -2.30 2.45 0.00 -1.26 -4.93 120.51 111.78 1pfj n ALA 71 Ca 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.42 1pfj n ALA 71 Cb 1.35 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.82 1pfj n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pfj n GLY 72 N 4.08 5.78 3.01 0.00 0.00 -1.26 -4.95 105.19 111.86 1pfj n GLY 72 Ca 0.00 -2.63 -0.25 0.00 0.00 0.00 0.00 46.02 43.14 1pfj n GLY 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pfj s ASP 73 N -2.31 1.83 0.31 1.61 2.15 -1.26 -4.98 116.67 114.02 1pfj s ASP 73 Ca 0.49 -0.30 0.08 0.00 0.43 0.00 0.00 52.55 53.25 1pfj s ASP 73 Cb 0.39 -0.83 -0.04 0.00 -0.30 0.00 0.00 42.92 42.14 1pfj s ASP 73 CO -0.28 0.01 0.19 -0.89 -0.17 0.00 0.00 175.17 174.04 1pfj s THR 74 N 0.80 3.58 -0.20 1.71 2.01 -1.26 0.13 115.64 122.42 1pfj s THR 74 Ca -0.12 -1.54 -0.00 0.00 0.31 0.00 0.00 61.69 60.34 1pfj s THR 74 Cb -0.15 -3.13 0.05 0.00 0.01 0.00 0.00 72.50 69.28 1pfj s THR 74 CO 0.02 -0.24 -0.04 -0.89 -0.69 0.00 0.00 174.62 172.77 1pfj s THR 75 N -2.30 1.23 -0.10 -0.82 2.01 0.69 -4.92 115.64 111.42 1pfj s THR 75 Ca 0.37 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 1pfj s THR 75 Cb -0.05 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 1pfj s THR 75 CO 0.24 -0.00 -0.05 0.20 -0.69 0.00 0.00 174.62 174.32 1pfj s ASN 76 N 1.55 4.78 -0.05 3.53 0.01 -1.26 -1.14 114.94 122.36 1pfj s ASN 76 Ca -0.02 -0.04 -0.08 0.00 -0.71 0.00 0.00 52.86 52.01 1pfj s ASN 76 Cb -0.17 -1.45 0.01 0.00 0.41 0.00 0.00 41.25 40.05 1pfj s ASN 76 CO -0.07 0.29 0.19 -0.36 -1.51 0.00 0.00 177.10 175.64 1pfj s PHE 77 N -0.37 -0.14 0.12 2.20 0.08 -0.76 -4.71 117.98 114.40 1pfj s PHE 77 Ca 0.06 0.31 -0.02 0.00 0.12 0.00 0.00 56.93 57.40 1pfj s PHE 77 Cb -0.12 0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.33 1pfj s PHE 77 CO 0.02 -0.19 0.08 -1.58 -0.10 0.00 0.00 175.22 173.45 1pfj s HIS 78 N -0.48 0.70 -0.08 0.36 5.65 0.20 -0.95 115.29 120.68 1pfj s HIS 78 Ca -0.06 -1.11 0.03 0.00 0.25 0.00 0.00 55.06 54.18 1pfj s HIS 78 Cb -0.04 -0.38 0.01 0.00 -1.18 0.00 0.00 32.58 30.98 1pfj s HIS 78 CO 0.01 -0.52 -0.19 -0.06 -0.65 0.00 0.00 174.74 173.33 1pfj s PHE 79 N -4.00 2.10 0.00 3.88 0.40 -1.16 0.27 117.98 119.47 1pfj s PHE 79 Ca 0.19 -0.83 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 1pfj s PHE 79 Cb 0.07 -1.44 0.00 0.00 0.51 0.00 0.00 43.02 42.16 1pfj s PHE 79 CO -0.01 -0.36 0.00 0.45 0.70 0.00 0.00 175.22 176.00 1pfj n SER 80 N 3.62 0.00 0.00 1.36 2.88 -1.26 -4.54 113.62 115.68 1pfj n SER 80 Ca -0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1pfj n SER 80 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1pfj n SER 80 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1pfj n ASN 81 N -0.00 0.00 0.00 -3.46 2.04 -1.26 -4.07 115.26 108.50 1pfj n ASN 81 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1pfj n ASN 81 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1pfj n ASN 81 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1pfj n GLU 82 N 0.00 0.00 -3.29 -3.83 0.28 -1.26 -4.92 120.64 107.62 1pfj n GLU 82 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.86 1pfj n GLU 82 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1pfj n GLU 82 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1pfj s SER 83 N -1.97 0.57 0.00 -1.84 1.04 -1.26 -4.94 113.70 105.30 1pfj s SER 83 Ca 0.00 -1.63 0.00 0.00 0.48 0.00 0.00 55.95 54.80 1pfj s SER 83 Cb 0.00 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1pfj s SER 83 CO 0.00 -0.22 0.28 1.07 0.98 0.00 0.00 173.24 175.35 1pfj n THR 84 N 4.01 0.00 -1.86 2.02 5.66 -1.26 -4.99 114.28 117.86 1pfj n THR 84 Ca 0.14 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.86 1pfj n THR 84 Cb 0.48 0.47 -0.07 0.00 -1.55 0.00 0.00 70.33 69.65 1pfj n THR 84 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pfj n ALA 85 N 0.00 1.60 -2.66 1.79 0.00 -1.26 -4.23 120.51 115.74 1pfj n ALA 85 Ca 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 50.56 1pfj n ALA 85 Cb 0.51 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 16.48 1pfj n ALA 85 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1pfj n VAL 86 N 7.90 0.00 -0.38 0.00 0.24 -1.26 -4.87 118.33 119.96 1pfj n VAL 86 Ca 0.45 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.70 1pfj n VAL 86 Cb 0.46 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.82 1pfj n VAL 86 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1pfj h LYS 87 N 0.00 -0.02 0.00 7.34 1.63 -1.94 1.16 116.57 124.75 1pfj h LYS 87 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1pfj h LYS 87 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1pfj h LYS 87 CO 0.00 -0.01 0.00 -0.85 -3.45 0.00 0.00 179.45 175.14 1pfj n GLU 88 N -5.39 0.00 -0.29 1.90 0.00 -1.26 0.20 120.64 115.79 1pfj n GLU 88 Ca 0.07 0.77 0.01 0.00 0.00 0.00 0.00 57.16 58.00 1pfj n GLU 88 Cb 0.35 -1.24 0.14 0.00 0.00 0.00 0.00 31.44 30.69 1pfj n GLU 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pfj h ARG 89 N 0.00 0.86 0.00 3.44 2.47 -1.58 1.36 114.38 120.92 1pfj h ARG 89 Ca 0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1pfj h ARG 89 Cb 0.00 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.13 1pfj h ARG 89 CO 0.00 0.57 0.17 -3.47 0.56 0.00 0.00 179.97 177.79 1pfj n ASP 90 N -4.68 0.26 -0.07 7.04 -0.08 0.40 0.75 116.55 120.17 1pfj n ASP 90 Ca 0.12 0.54 -0.17 0.00 -1.51 0.00 0.00 54.79 53.76 1pfj n ASP 90 Cb 0.20 -0.53 -0.13 0.00 2.34 0.00 0.00 41.12 42.99 1pfj n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pfj n ALA 91 N -1.54 1.25 0.05 -1.67 0.00 0.52 -1.59 120.51 117.53 1pfj n ALA 91 Ca -0.01 -0.91 -0.11 0.00 0.00 0.00 0.00 53.44 52.41 1pfj n ALA 91 Cb 0.18 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.19 1pfj n ALA 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pfj h VAL 92 N 0.03 0.82 -0.08 0.00 2.07 0.15 0.58 116.25 119.82 1pfj h VAL 92 Ca -0.49 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1pfj h VAL 92 Cb 2.00 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 1pfj h VAL 92 CO 0.00 0.00 -0.08 0.50 0.02 0.00 0.00 177.57 178.02 1pfj h LYS 93 N -0.12 -0.10 -1.74 1.57 3.64 -0.71 0.14 116.57 119.27 1pfj h LYS 93 Ca 0.03 0.01 0.50 0.00 -1.27 0.00 0.00 60.65 59.92 1pfj h LYS 93 Cb 0.16 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 1pfj h LYS 93 CO -0.07 -0.06 1.33 0.22 -2.27 0.00 0.00 179.45 178.59 1pfj h ASP 94 N -0.10 0.00 0.12 4.20 3.58 0.04 2.07 116.42 126.34 1pfj h ASP 94 Ca 0.06 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.25 1pfj h ASP 94 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1pfj h ASP 94 CO -0.14 0.00 -1.33 -0.07 -2.88 0.00 0.00 179.24 174.81 1pfj h LEU 95 N 0.00 0.40 -0.36 2.28 3.38 0.11 -3.32 115.31 117.80 1pfj h LEU 95 Ca 0.82 -0.87 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1pfj h LEU 95 Cb 3.47 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 44.05 1pfj h LEU 95 CO -0.01 1.59 -0.21 0.18 0.09 0.00 0.00 178.44 180.08 1pfj n LEU 96 N -3.94 -0.38 0.00 1.67 4.77 0.70 0.32 117.00 120.13 1pfj n LEU 96 Ca -0.23 1.22 0.01 0.00 -0.03 0.00 0.00 56.01 56.97 1pfj n LEU 96 Cb 0.90 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1pfj n LEU 96 CO 0.42 -0.81 0.33 0.00 -1.33 0.00 0.00 177.39 176.01 1pfj n GLN 97 N -3.80 0.03 -0.04 3.23 3.00 -0.88 -0.88 117.38 118.05 1pfj n GLN 97 Ca 0.01 0.10 0.03 0.00 -0.01 0.00 0.00 57.00 57.12 1pfj n GLN 97 Cb 0.09 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.70 1pfj n GLN 97 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1pfj n GLN 98 N -1.10 0.81 -0.03 -1.09 7.27 0.96 -4.49 117.38 119.71 1pfj n GLN 98 Ca 0.01 -0.11 -0.15 0.00 0.07 0.00 0.00 57.00 56.82 1pfj n GLN 98 Cb 0.01 -1.43 -0.14 0.00 2.41 0.00 0.00 30.24 31.08 1pfj n GLN 98 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1pfj n LEU 99 N -2.32 1.69 -0.32 1.69 -0.00 0.32 -3.98 117.00 114.07 1pfj n LEU 99 Ca -0.13 0.22 0.23 0.00 -0.00 0.00 0.00 56.01 56.34 1pfj n LEU 99 Cb 0.69 -0.41 0.51 0.00 -0.00 0.00 0.00 43.42 44.22 1pfj n LEU 99 CO 0.37 0.64 1.22 0.17 -0.00 0.00 0.00 177.39 179.80 1pfj h LEU 100 N 0.03 0.43 -0.15 1.47 -0.00 -1.59 2.45 115.31 117.95 1pfj h LEU 100 Ca -0.41 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 1pfj h LEU 100 Cb 2.04 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.71 1pfj h LEU 100 CO 0.06 0.08 0.00 -2.65 -0.00 0.00 0.00 178.44 175.93 1pfj n PRO 101 N -4.62 0.04 -0.02 0.17 -0.02 -1.26 -1.96 135.00 127.34 1pfj n PRO 101 Ca 0.25 0.27 -0.16 0.00 -2.02 0.00 0.00 63.50 61.85 1pfj n PRO 101 Cb 0.89 -1.58 -0.12 0.00 -0.02 0.00 0.00 33.50 32.67 1pfj n PRO 101 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1pfj h LYS 102 N 0.00 0.15 -0.39 -0.52 3.64 0.40 -3.10 116.57 116.76 1pfj h LYS 102 Ca 0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1pfj h LYS 102 Cb 0.29 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1pfj h LYS 102 CO 0.00 0.99 0.00 1.97 -2.27 0.00 0.00 179.45 180.14 1pfj n PHE 103 N -4.47 0.50 -1.41 1.91 -1.74 -1.19 -3.95 117.46 107.12 1pfj n PHE 103 Ca -0.11 -0.28 0.07 0.00 -0.56 0.00 0.00 57.45 56.57 1pfj n PHE 103 Cb 0.55 -0.00 0.10 0.00 1.52 0.00 0.00 39.48 41.65 1pfj n PHE 103 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1pfj n LYS 104 N 1.37 0.87 0.00 3.97 4.01 -0.83 -4.68 118.16 122.88 1pfj n LYS 104 Ca 0.18 -2.11 0.00 0.00 -0.51 0.00 0.00 58.31 55.87 1pfj n LYS 104 Cb 0.57 -1.17 0.00 0.00 -0.51 0.00 0.00 35.03 33.93 1pfj n LYS 104 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1pfj n ARG 105 N -0.94 0.00 -4.19 1.97 0.00 -1.17 -4.91 116.66 107.41 1pfj n ARG 105 Ca 0.11 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.85 1pfj n ARG 105 Cb 0.67 -0.31 -0.10 0.00 0.00 0.00 0.00 32.46 32.72 1pfj n ARG 105 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1pfj s LYS 106 N 0.00 1.00 0.02 -0.14 2.20 -1.25 -5.04 119.74 116.54 1pfj s LYS 106 Ca 0.00 -1.48 0.22 0.00 -0.36 0.00 0.00 55.97 54.35 1pfj s LYS 106 Cb 0.00 0.03 -0.18 0.00 -1.51 0.00 0.00 37.83 36.17 1pfj s LYS 106 CO 0.00 -0.21 0.76 0.00 -0.36 0.00 0.00 175.35 175.55 1pfj n ALA 107 N -0.16 3.27 1.90 3.13 0.00 -1.26 -4.88 120.51 122.51 1pfj n ALA 107 Ca -0.06 -0.47 0.16 0.00 0.00 0.00 0.00 53.44 53.07 1pfj n ALA 107 Cb 0.63 -0.85 0.86 0.00 0.00 0.00 0.00 19.45 20.10 1pfj n ALA 107 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79