#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfj h ALA 2 N 0.00 -0.70 -3.00 3.04 0.00 -2.06 -3.45 119.26 113.08 1pfj h ALA 2 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 1pfj h ALA 2 Cb 0.00 0.07 -0.32 0.00 0.00 0.00 0.00 17.79 17.54 1pfj h ALA 2 CO 0.00 -0.69 -0.53 0.99 0.00 0.00 0.00 179.25 179.02 1pfj s THR 3 N -2.74 -0.20 -0.93 0.00 2.01 -1.26 -5.05 115.64 107.47 1pfj s THR 3 Ca -0.03 0.22 -0.26 0.00 0.31 0.00 0.00 61.69 61.94 1pfj s THR 3 Cb 0.00 -0.38 -0.19 0.00 0.01 0.00 0.00 72.50 71.94 1pfj s THR 3 CO 0.08 0.09 2.22 -1.54 -0.69 0.00 0.00 174.62 174.79 1pfj n SER 4 N 4.75 1.41 -4.38 3.53 3.41 -1.26 -4.82 113.62 116.27 1pfj n SER 4 Ca -0.16 -2.00 -0.28 0.00 -0.26 0.00 0.00 58.87 56.16 1pfj n SER 4 Cb 0.51 -1.66 -0.08 0.00 -0.26 0.00 0.00 64.21 62.72 1pfj n SER 4 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1pfj s SER 5 N 9.25 3.25 0.87 4.04 0.01 -1.26 -5.12 113.70 124.73 1pfj s SER 5 Ca 0.86 -1.63 -0.11 0.00 1.31 0.00 0.00 55.95 56.38 1pfj s SER 5 Cb -0.10 0.42 0.12 0.00 0.21 0.00 0.00 66.02 66.67 1pfj s SER 5 CO 0.15 -0.86 1.11 -1.61 0.41 0.00 0.00 173.24 172.44 1pfj s GLU 6 N -3.78 1.41 -0.26 12.44 8.01 -1.26 -5.01 118.70 130.26 1pfj s GLU 6 Ca 0.19 1.27 0.03 0.00 0.01 0.00 0.00 54.97 56.47 1pfj s GLU 6 Cb 0.03 -1.79 0.06 0.00 -4.31 0.00 0.00 34.13 28.12 1pfj s GLU 6 CO 0.11 -2.26 -0.11 -1.21 0.01 0.00 0.00 175.26 171.79 1pfj s GLU 7 N -4.77 2.27 0.17 1.61 2.02 -1.26 -5.11 118.70 113.64 1pfj s GLU 7 Ca 0.64 -1.33 0.02 0.00 0.02 0.00 0.00 54.97 54.32 1pfj s GLU 7 Cb -0.20 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 1pfj s GLU 7 CO 0.57 -0.56 0.33 0.14 0.02 0.00 0.00 175.26 175.76 1pfj s VAL 8 N 1.11 5.28 -0.24 2.63 -7.23 -1.26 -3.07 120.40 117.62 1pfj s VAL 8 Ca -0.08 -0.61 -0.02 0.00 -1.81 0.00 0.00 61.98 59.46 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 -0.14 -0.17 -0.11 -0.31 0.00 0.00 175.10 174.32 1pfj n LEU 9 N -0.66 2.76 -3.58 1.32 7.94 -1.17 -4.73 117.00 118.88 1pfj n LEU 9 Ca -0.06 -0.01 -0.05 0.00 -1.11 0.00 0.00 56.01 54.77 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 0.86 0.96 -0.22 -1.11 0.00 0.00 177.39 178.37 1pfj s LEU 10 N -6.76 -0.17 -0.00 -1.96 2.96 -0.97 -5.04 118.68 106.74 1pfj s LEU 10 Ca -0.34 0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1pfj s LEU 10 Cb 0.10 1.47 -0.00 0.00 0.50 0.00 0.00 46.19 48.26 1pfj s LEU 10 CO 0.60 -0.28 0.01 -0.51 -1.32 0.00 0.00 176.35 174.86 1pfj s ILE 11 N -2.38 0.02 -0.11 6.68 -1.16 -1.26 0.15 121.20 123.14 1pfj s ILE 11 Ca 0.08 -0.16 0.02 0.00 -0.51 0.00 0.00 60.65 60.08 1pfj s ILE 11 Cb -0.01 -0.08 0.01 0.00 0.61 0.00 0.00 42.46 42.99 1pfj s ILE 11 CO -0.05 -0.09 -0.17 0.68 -2.81 0.00 0.00 174.94 172.50 1pfj s VAL 12 N -0.26 1.63 0.00 4.00 -7.23 0.81 -4.94 120.40 114.41 1pfj s VAL 12 Ca -0.03 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 1pfj s VAL 12 Cb -0.02 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.46 1pfj s VAL 12 CO -0.00 0.47 0.30 1.17 -0.31 0.00 0.00 175.10 176.73 1pfj n LYS 13 N 4.07 0.00 -1.67 4.82 4.81 -1.26 -0.80 118.16 128.13 1pfj n LYS 13 Ca -0.20 0.00 -0.54 0.00 -0.87 0.00 0.00 58.31 56.70 1pfj n LYS 13 Cb 0.51 -0.78 -0.06 0.00 0.02 0.00 0.00 35.03 34.72 1pfj n LYS 13 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pfj n LYS 14 N -0.38 1.31 -3.75 1.64 4.01 -1.26 -2.56 118.16 117.17 1pfj n LYS 14 Ca 0.00 0.48 -0.13 0.00 -0.51 0.00 0.00 58.31 58.14 1pfj n LYS 14 Cb 0.00 -2.17 -0.09 0.00 -0.51 0.00 0.00 35.03 32.26 1pfj n LYS 14 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1pfj s VAL 15 N 2.48 0.03 -0.06 -0.18 1.01 1.00 -4.73 120.40 119.96 1pfj s VAL 15 Ca 0.92 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.67 1pfj s VAL 15 Cb -0.97 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1pfj s VAL 15 CO 0.57 -0.16 -0.22 -0.60 0.00 0.00 0.00 175.10 174.69 1pfj s ARG 16 N -0.78 2.28 -0.01 2.72 6.06 0.68 0.18 118.95 130.08 1pfj s ARG 16 Ca -0.09 -0.77 0.00 0.00 -2.50 0.00 0.00 55.73 52.37 1pfj s ARG 16 Cb -0.04 -1.92 0.02 0.00 0.06 0.00 0.00 34.95 33.07 1pfj s ARG 16 CO 0.03 0.30 0.01 1.14 -2.50 0.00 0.00 175.30 174.28 1pfj s GLN 17 N -0.01 0.02 0.51 5.12 -2.07 0.19 0.18 119.66 123.60 1pfj s GLN 17 Ca -0.06 0.08 0.12 0.00 -1.82 0.00 0.00 55.36 53.69 1pfj s GLN 17 Cb -0.13 -0.17 0.41 0.00 -1.09 0.00 0.00 33.01 32.03 1pfj s GLN 17 CO 0.04 -0.08 0.94 1.63 -1.32 0.00 0.00 175.29 176.49 1pfj n LYS 18 N 3.65 0.02 -0.07 9.60 5.02 -1.26 0.10 118.16 135.22 1pfj n LYS 18 Ca -0.20 0.80 -0.12 0.00 -2.02 0.00 0.00 58.31 56.77 1pfj n LYS 18 Cb 0.55 -2.07 -0.09 0.00 -0.02 0.00 0.00 35.03 33.40 1pfj n LYS 18 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1pfj h LYS 19 N 0.00 0.00 -3.65 1.97 2.10 -1.94 -3.49 116.57 111.56 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 2.04 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 33.27 1pfj h LYS 19 CO -0.00 0.67 -0.13 -1.14 -2.00 0.00 0.00 179.45 176.85 1pfj s GLN 20 N -2.10 1.47 -0.16 0.07 0.74 0.28 -5.12 119.66 114.83 1pfj s GLN 20 Ca -0.16 -1.20 -0.06 0.00 0.05 0.00 0.00 55.36 53.99 1pfj s GLN 20 Cb 0.00 0.46 -0.04 0.00 1.10 0.00 0.00 33.01 34.54 1pfj s GLN 20 CO 0.46 -0.60 0.02 -0.51 -0.55 0.00 0.00 175.29 174.12 1pfj s ASP 21 N -2.99 5.32 0.19 6.67 1.01 -1.26 0.53 116.67 126.14 1pfj s ASP 21 Ca 0.20 0.03 -0.23 0.00 0.71 0.00 0.00 52.55 53.26 1pfj s ASP 21 Cb -0.00 -1.85 0.05 0.00 1.01 0.00 0.00 42.92 42.13 1pfj s ASP 21 CO 0.06 0.20 0.76 -0.83 0.21 0.00 0.00 175.17 175.57 1pfj s GLY 22 N 0.18 -0.29 0.09 0.21 0.00 0.48 -4.88 107.32 103.11 1pfj s GLY 22 Ca 0.02 0.11 -0.24 0.00 0.00 0.00 0.00 44.72 44.61 1pfj s GLY 22 CO 0.01 0.03 0.74 0.00 0.00 0.00 0.00 173.10 173.89 1pfj s ALA 23 N -3.66 3.43 -0.13 3.20 0.00 0.35 -0.00 121.76 124.94 1pfj s ALA 23 Ca 0.08 0.27 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 1pfj s ALA 23 Cb -0.03 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1pfj s ALA 23 CO -0.01 0.18 -0.03 -0.51 0.00 0.00 0.00 175.76 175.39 1pfj s LEU 24 N -0.54 3.32 -0.06 0.00 1.43 0.02 0.69 118.68 123.54 1pfj s LEU 24 Ca 0.36 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 1pfj s LEU 24 Cb -0.21 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1pfj s LEU 24 CO 0.23 0.25 -0.14 -0.31 0.23 0.00 0.00 176.35 176.61 1pfj s TYR 25 N -0.11 2.73 -0.07 0.29 1.51 0.35 -0.13 117.35 121.92 1pfj s TYR 25 Ca 0.03 -0.21 0.04 0.00 -1.01 0.00 0.00 57.07 55.92 1pfj s TYR 25 Cb -0.13 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 1pfj s TYR 25 CO 0.02 0.15 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.91 1pfj s LEU 26 N -0.60 2.40 0.02 -1.29 1.02 0.40 0.47 118.68 121.10 1pfj s LEU 26 Ca 0.09 -0.38 0.06 0.00 0.02 0.00 0.00 54.13 53.92 1pfj s LEU 26 Cb -0.11 -1.47 -0.02 0.00 0.02 0.00 0.00 46.19 44.60 1pfj s LEU 26 CO 0.01 0.26 -0.19 -0.32 0.02 0.00 0.00 176.35 176.14 1pfj s MET 27 N -0.25 1.33 0.17 1.70 1.75 0.31 -2.29 119.30 122.02 1pfj s MET 27 Ca 0.00 -0.82 -0.27 0.00 -1.25 0.00 0.00 55.69 53.35 1pfj s MET 27 Cb -0.13 -1.38 0.01 0.00 2.84 0.00 0.00 34.83 36.17 1pfj s MET 27 CO 0.03 0.36 1.56 0.00 -0.65 0.00 0.00 175.02 176.31 1pfj h ALA 28 N 5.14 -0.39 -0.00 4.11 0.00 -1.83 0.13 119.26 126.42 1pfj h ALA 28 Ca -0.40 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1pfj h ALA 28 Cb 1.16 1.09 0.00 0.00 0.00 0.00 0.00 17.79 20.04 1pfj h ALA 28 CO 0.45 -0.87 -0.17 -1.91 0.00 0.00 0.00 179.25 176.75 1pfj n GLU 29 N -5.37 0.52 -3.63 0.00 2.13 -1.26 -4.78 120.64 108.23 1pfj n GLU 29 Ca 0.02 -0.20 -0.07 0.00 0.66 0.00 0.00 57.16 57.57 1pfj n GLU 29 Cb 0.33 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.53 1pfj n GLU 29 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1pfj s ARG 30 N -2.62 1.23 -0.11 5.31 3.03 0.03 0.18 118.95 126.01 1pfj s ARG 30 Ca 0.24 -0.59 -0.02 0.00 2.03 0.00 0.00 55.73 57.39 1pfj s ARG 30 Cb 0.19 0.48 -0.03 0.00 -1.03 0.00 0.00 34.95 34.57 1pfj s ARG 30 CO 0.52 -0.55 -0.04 0.42 -1.13 0.00 0.00 175.30 174.52 1pfj s ILE 31 N -3.47 3.93 0.08 4.99 1.01 -0.35 0.12 121.20 127.50 1pfj s ILE 31 Ca 0.08 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 60.45 1pfj s ILE 31 Cb -0.02 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 1pfj s ILE 31 CO -0.03 0.55 -0.25 0.00 0.00 0.00 0.00 174.94 175.21 1pfj s ALA 32 N -0.30 2.16 0.02 9.38 0.00 0.18 -0.76 121.76 132.43 1pfj s ALA 32 Ca 0.05 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.78 1pfj s ALA 32 Cb -0.12 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1pfj s ALA 32 CO 0.02 0.49 -0.18 -0.46 0.00 0.00 0.00 175.76 175.64 1pfj s TRP 33 N -0.92 1.59 -0.18 0.00 -0.00 -0.76 0.13 118.94 118.80 1pfj s TRP 33 Ca 0.11 -0.34 -0.07 0.00 -0.00 0.00 0.00 56.10 55.81 1pfj s TRP 33 Cb -0.10 -0.97 0.08 0.00 -0.00 0.00 0.00 33.47 32.48 1pfj s TRP 33 CO 0.03 0.04 0.39 0.00 -0.00 0.00 0.00 176.95 177.41 1pfj s ALA 34 N -0.67 -1.03 0.07 5.86 0.00 0.22 0.33 121.76 126.54 1pfj s ALA 34 Ca 0.06 1.39 -0.15 0.00 0.00 0.00 0.00 51.96 53.26 1pfj s ALA 34 Cb -0.08 -1.23 -0.21 0.00 0.00 0.00 0.00 23.12 21.59 1pfj s ALA 34 CO 0.01 -0.70 1.20 -1.00 0.00 0.00 0.00 175.76 175.27 1pfj h PRO 35 N 8.12 0.67 0.00 0.00 0.13 -1.78 1.01 132.00 140.14 1pfj h PRO 35 Ca -0.17 -0.67 -0.10 0.00 -0.87 0.00 0.00 66.00 64.19 1pfj h PRO 35 Cb 1.11 0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1pfj h PRO 35 CO 0.14 1.26 -0.09 -0.85 -0.23 0.00 0.00 178.00 178.23 1pfj n GLU 36 N -3.95 0.11 0.24 0.86 0.28 -1.26 -4.25 120.64 112.66 1pfj n GLU 36 Ca -0.10 -0.73 0.14 0.00 -0.16 0.00 0.00 57.16 56.31 1pfj n GLU 36 Cb 0.80 0.62 0.33 0.00 1.43 0.00 0.00 31.44 34.62 1pfj n GLU 36 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1pfj h GLY 37 N 0.46 0.00 1.79 -1.84 0.00 -1.96 -2.83 103.07 98.69 1pfj h GLY 37 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1pfj h GLY 37 CO 0.08 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.90 1pfj n LYS 38 N -3.08 0.09 -2.72 4.80 4.01 -1.26 -3.02 118.16 116.97 1pfj n LYS 38 Ca 0.03 0.23 -0.04 0.00 -0.51 0.00 0.00 58.31 58.02 1pfj n LYS 38 Cb 0.46 -1.50 0.08 0.00 -0.51 0.00 0.00 35.03 33.56 1pfj n LYS 38 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1pfj n ASP 39 N -1.40 0.11 -0.21 4.39 9.92 -1.08 -4.96 116.55 123.32 1pfj n ASP 39 Ca 0.04 -2.34 0.18 0.00 -0.53 0.00 0.00 54.79 52.14 1pfj n ASP 39 Cb 0.12 0.09 0.30 0.00 -0.64 0.00 0.00 41.12 40.99 1pfj n ASP 39 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1pfj n ARG 40 N -0.67 -0.02 -3.63 -1.24 3.00 -1.15 -0.79 116.66 112.17 1pfj n ARG 40 Ca -0.00 0.56 -0.27 0.00 -0.01 0.00 0.00 57.85 58.12 1pfj n ARG 40 Cb 0.83 -1.09 -0.10 0.00 0.00 0.00 0.00 32.46 32.10 1pfj n ARG 40 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1pfj n PHE 41 N -3.55 2.09 0.65 -1.55 3.72 -1.26 -4.19 117.46 113.37 1pfj n PHE 41 Ca 0.18 -3.99 0.12 0.00 -0.05 0.00 0.00 57.45 53.71 1pfj n PHE 41 Cb 0.69 -0.39 0.46 0.00 -0.94 0.00 0.00 39.48 39.30 1pfj n PHE 41 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1pfj n THR 42 N 1.88 0.56 -3.70 4.37 5.66 0.99 -4.83 114.28 119.20 1pfj n THR 42 Ca 0.24 -0.04 -0.10 0.00 -3.05 0.00 0.00 64.05 61.10 1pfj n THR 42 Cb 0.41 -0.74 -0.06 0.00 -1.55 0.00 0.00 70.33 68.39 1pfj n THR 42 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1pfj s ILE 43 N -3.11 0.09 -0.30 1.09 2.07 0.52 -4.80 121.20 116.75 1pfj s ILE 43 Ca 0.10 -0.71 -0.04 0.00 -1.41 0.00 0.00 60.65 58.58 1pfj s ILE 43 Cb 0.13 -1.16 0.19 0.00 0.13 0.00 0.00 42.46 41.74 1pfj s ILE 43 CO 0.50 -0.39 0.84 -0.55 -1.91 0.00 0.00 174.94 173.42 1pfj s SER 44 N -2.67 -0.96 -0.22 4.50 0.15 -1.20 -1.82 113.70 111.48 1pfj s SER 44 Ca 0.02 0.22 -0.05 0.00 0.70 0.00 0.00 55.95 56.84 1pfj s SER 44 Cb 0.02 1.65 -0.02 0.00 -1.71 0.00 0.00 66.02 65.97 1pfj s SER 44 CO -0.10 -0.18 -0.01 -1.00 1.20 0.00 0.00 173.24 173.15 1pfj s HIS 45 N 2.90 3.00 -0.14 3.44 0.09 0.06 -4.87 115.29 119.77 1pfj s HIS 45 Ca 0.17 -0.69 -0.29 0.00 -0.00 0.00 0.00 55.06 54.24 1pfj s HIS 45 Cb -0.07 -2.12 -0.04 0.00 -0.00 0.00 0.00 32.58 30.35 1pfj s HIS 45 CO -0.22 -0.42 1.56 -1.64 -0.00 0.00 0.00 174.74 174.02 1pfj s MET 46 N 1.35 4.05 0.32 1.40 -1.94 -1.26 -1.21 119.30 122.00 1pfj s MET 46 Ca 0.04 1.88 0.05 0.00 -1.71 0.00 0.00 55.69 55.94 1pfj s MET 46 Cb -0.15 -3.96 0.84 0.00 2.01 0.00 0.00 34.83 33.58 1pfj s MET 46 CO -0.00 -0.99 1.58 1.88 -0.01 0.00 0.00 175.02 177.48 1pfj h TYR 47 N 9.70 0.11 -0.17 -0.03 0.05 0.17 2.45 116.97 129.25 1pfj h TYR 47 Ca -0.34 0.07 -0.12 0.00 0.05 0.00 0.00 58.73 58.38 1pfj h TYR 47 Cb 1.15 0.12 -0.01 0.00 1.01 0.00 0.00 36.73 39.00 1pfj h TYR 47 CO 0.88 -0.43 -0.41 0.00 -1.05 0.00 0.00 178.16 177.15 1pfj h ALA 48 N 1.97 0.99 0.00 3.88 0.00 -1.89 -0.90 119.26 123.30 1pfj h ALA 48 Ca 0.63 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1pfj h ALA 48 Cb 1.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1pfj h ALA 48 CO -0.88 0.62 0.00 -0.25 0.00 0.00 0.00 179.25 178.74 1pfj n ASP 49 N -4.02 0.00 -3.86 0.00 9.92 0.80 -4.54 116.55 114.84 1pfj n ASP 49 Ca -0.02 -0.02 -0.14 0.00 -0.53 0.00 0.00 54.79 54.08 1pfj n ASP 49 Cb 0.50 -0.20 -0.15 0.00 -0.64 0.00 0.00 41.12 40.62 1pfj n ASP 49 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1pfj s ILE 50 N -2.41 0.12 -0.25 0.53 -4.36 0.59 -4.02 121.20 111.40 1pfj s ILE 50 Ca 0.13 0.01 -0.04 0.00 -0.26 0.00 0.00 60.65 60.49 1pfj s ILE 50 Cb 0.08 -0.15 0.09 0.00 1.25 0.00 0.00 42.46 43.73 1pfj s ILE 50 CO 0.16 0.07 0.15 -0.75 0.24 0.00 0.00 174.94 174.81 1pfj s LYS 51 N 0.36 0.17 0.00 0.37 2.36 0.56 -4.73 119.74 118.83 1pfj s LYS 51 Ca -0.03 -0.31 0.00 0.00 -2.55 0.00 0.00 55.97 53.08 1pfj s LYS 51 Cb -0.05 -1.28 0.00 0.00 -1.05 0.00 0.00 37.83 35.45 1pfj s LYS 51 CO -0.01 -0.90 0.00 0.00 1.55 0.00 0.00 175.35 175.99 1pfj s GLN 53 N -0.33 0.10 -0.15 0.00 1.11 -1.26 -1.61 119.66 117.52 1pfj s GLN 53 Ca 0.00 0.44 -0.04 0.00 0.01 0.00 0.00 55.36 55.77 1pfj s GLN 53 Cb 0.00 -0.19 0.06 0.00 -1.01 0.00 0.00 33.01 31.87 1pfj s GLN 53 CO 0.00 -0.20 0.12 0.21 0.01 0.00 0.00 175.29 175.43 1pfj s LYS 54 N 1.46 0.06 -0.28 2.91 2.20 1.00 -5.00 119.74 122.09 1pfj s LYS 54 Ca -0.06 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1pfj s LYS 54 Cb -0.12 -1.33 0.15 0.00 -1.51 0.00 0.00 37.83 35.02 1pfj s LYS 54 CO -0.06 -0.57 0.37 0.96 -0.36 0.00 0.00 175.35 175.68 1pfj s ILE 55 N 2.20 -0.56 -0.25 5.43 -0.00 -1.26 0.09 121.20 126.85 1pfj s ILE 55 Ca 0.04 -0.29 0.09 0.00 -0.00 0.00 0.00 60.65 60.48 1pfj s ILE 55 Cb -0.15 -0.95 0.44 0.00 -0.00 0.00 0.00 42.46 41.80 1pfj s ILE 55 CO -0.08 -0.30 1.20 -1.20 -0.00 0.00 0.00 174.94 174.56 1pfj n SER 56 N 5.34 3.26 -2.45 4.36 7.64 -1.26 -4.88 113.62 125.64 1pfj n SER 56 Ca -0.01 -3.78 -0.13 0.00 1.01 0.00 0.00 58.87 55.96 1pfj n SER 56 Cb 0.49 -0.43 -0.09 0.00 -1.01 0.00 0.00 64.21 63.16 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 -0.89 1.68 -0.04 1.43 -0.04 -1.26 -3.60 135.00 132.28 1pfj n PRO 57 Ca 0.31 -0.95 0.02 0.00 -0.04 0.00 0.00 63.50 62.84 1pfj n PRO 57 Cb 0.83 -2.03 -0.15 0.00 -0.04 0.00 0.00 33.50 32.11 1pfj n PRO 57 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1pfj n GLU 58 N 3.04 0.78 -1.41 0.54 1.02 -1.26 -4.46 120.64 118.89 1pfj n GLU 58 Ca 0.36 -0.11 0.02 0.00 -0.02 0.00 0.00 57.16 57.41 1pfj n GLU 58 Cb 0.50 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1pfj n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pfj n GLY 59 N 1.60 0.91 1.83 0.62 0.00 -1.24 -5.11 105.19 103.81 1pfj n GLY 59 Ca -0.14 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 0.41 0.69 -0.00 1.61 4.76 -1.26 -5.01 118.16 119.36 1pfj n LYS 60 Ca -0.00 -1.42 -0.00 0.00 -2.87 0.00 0.00 58.31 54.01 1pfj n LYS 60 Cb 1.07 -0.16 -0.00 0.00 -1.84 0.00 0.00 35.03 34.10 1pfj n LYS 60 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pfj h ALA 61 N 0.13 -0.05 0.00 7.82 0.00 -1.95 -3.41 119.26 121.79 1pfj h ALA 61 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1pfj h ALA 61 Cb 0.58 0.96 -0.11 0.00 0.00 0.00 0.00 17.79 19.22 1pfj h ALA 61 CO 0.18 -0.05 0.01 0.36 0.00 0.00 0.00 179.25 179.75 1pfj n LYS 62 N -2.97 0.47 -1.08 0.00 0.00 -1.26 -5.07 118.16 108.25 1pfj n LYS 62 Ca 0.00 -1.04 0.00 0.00 -0.00 0.00 0.00 58.31 57.27 1pfj n LYS 62 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 35.03 34.92 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 -0.31 -1.44 -4.78 0.58 0.13 -1.26 -4.47 119.36 107.81 1pfj n ILE 63 Ca -0.16 0.00 -0.27 0.00 -1.10 0.00 0.00 62.75 61.22 1pfj n ILE 63 Cb 0.72 -2.89 -0.17 0.00 -0.84 0.00 0.00 39.64 36.46 1pfj n ILE 63 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1pfj s GLN 64 N -0.89 2.01 0.30 9.51 -2.07 -1.26 -2.67 119.66 124.59 1pfj s GLN 64 Ca 0.00 -0.56 0.05 0.00 -1.82 0.00 0.00 55.36 53.03 1pfj s GLN 64 Cb 0.00 -1.63 -0.06 0.00 -1.09 0.00 0.00 33.01 30.23 1pfj s GLN 64 CO 0.00 0.11 -0.00 -0.48 -1.32 0.00 0.00 175.29 173.60 1pfj s LEU 65 N 0.45 2.35 -0.14 2.60 -0.00 -0.29 -4.18 118.68 119.47 1pfj s LEU 65 Ca -0.13 -1.28 -0.10 0.00 -0.00 0.00 0.00 54.13 52.62 1pfj s LEU 65 Cb -0.15 -0.51 0.04 0.00 -0.00 0.00 0.00 46.19 45.58 1pfj s LEU 65 CO 0.05 -0.48 0.35 -1.58 -0.00 0.00 0.00 176.35 174.69 1pfj s GLN 66 N -3.81 0.37 0.06 1.48 0.74 0.11 -1.77 119.66 116.84 1pfj s GLN 66 Ca 0.32 0.59 0.02 0.00 0.05 0.00 0.00 55.36 56.35 1pfj s GLN 66 Cb 0.06 0.07 -0.03 0.00 1.10 0.00 0.00 33.01 34.22 1pfj s GLN 66 CO 0.13 -0.10 -0.08 -1.17 -0.55 0.00 0.00 175.29 173.52 1pfj s LEU 67 N 0.77 2.32 0.17 3.68 0.20 0.39 -0.00 118.68 126.21 1pfj s LEU 67 Ca -0.05 -0.67 0.07 0.00 0.69 0.00 0.00 54.13 54.17 1pfj s LEU 67 Cb -0.06 -0.18 -0.04 0.00 -0.43 0.00 0.00 46.19 45.47 1pfj s LEU 67 CO -0.05 -0.25 -0.14 -0.69 -0.29 0.00 0.00 176.35 174.93 1pfj s VAL 68 N -1.90 1.52 0.10 1.68 1.01 -0.63 0.20 120.40 122.38 1pfj s VAL 68 Ca -0.04 -2.03 -0.16 0.00 0.00 0.00 0.00 61.98 59.76 1pfj s VAL 68 Cb -0.06 -1.85 -0.07 0.00 0.00 0.00 0.00 36.38 34.40 1pfj s VAL 68 CO -0.01 -0.56 0.53 -0.76 0.00 0.00 0.00 175.10 174.31 1pfj s LEU 69 N -3.00 4.42 0.52 3.92 2.01 0.44 0.21 118.68 127.19 1pfj s LEU 69 Ca 0.17 1.11 0.36 0.00 0.01 0.00 0.00 54.13 55.78 1pfj s LEU 69 Cb -0.02 -3.04 1.52 0.00 0.01 0.00 0.00 46.19 44.66 1pfj s LEU 69 CO 0.04 0.19 1.74 1.12 1.01 0.00 0.00 176.35 180.46 1pfj h HIS 70 N 4.03 0.13 -0.31 0.29 2.07 -1.79 -3.36 115.15 116.22 1pfj h HIS 70 Ca -0.49 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 1pfj h HIS 70 Cb 1.20 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 31.15 1pfj h HIS 70 CO 0.67 -0.01 0.00 0.00 -3.07 0.00 0.00 177.93 175.52 1pfj n ALA 71 N -2.74 0.00 -2.28 6.11 0.00 -1.26 -4.91 120.51 115.42 1pfj n ALA 71 Ca 0.30 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.40 1pfj n ALA 71 Cb 1.37 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.83 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 3.62 5.78 3.03 0.00 0.00 -1.26 -4.95 105.19 111.41 1pfj n GLY 72 Ca 0.00 -2.63 -0.24 0.00 0.00 0.00 0.00 46.02 43.15 1pfj n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pfj s ASP 73 N -2.27 1.67 0.28 1.61 1.11 -1.26 -4.99 116.67 112.83 1pfj s ASP 73 Ca 0.49 -0.27 0.08 0.00 0.18 0.00 0.00 52.55 53.02 1pfj s ASP 73 Cb 0.39 -0.66 -0.04 0.00 1.07 0.00 0.00 42.92 43.68 1pfj s ASP 73 CO -0.28 0.05 0.18 -0.89 1.18 0.00 0.00 175.17 175.42 1pfj s THR 74 N 0.48 3.91 -0.25 -1.27 2.01 -1.26 0.17 115.64 119.42 1pfj s THR 74 Ca -0.10 -1.51 -0.02 0.00 0.31 0.00 0.00 61.69 60.37 1pfj s THR 74 Cb -0.14 -3.21 0.08 0.00 0.01 0.00 0.00 72.50 69.24 1pfj s THR 74 CO 0.03 -0.29 0.07 -0.89 -0.69 0.00 0.00 174.62 172.85 1pfj s THR 75 N -2.24 0.54 0.03 -0.82 2.01 0.54 -4.89 115.64 110.81 1pfj s THR 75 Ca 0.35 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.50 1pfj s THR 75 Cb -0.07 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1pfj s THR 75 CO 0.24 -0.47 -0.03 0.20 -0.69 0.00 0.00 174.62 173.87 1pfj s ASN 76 N 1.82 4.86 -0.03 3.53 -0.87 -1.26 -0.46 114.94 122.53 1pfj s ASN 76 Ca 0.05 -0.13 -0.11 0.00 -1.57 0.00 0.00 52.86 51.09 1pfj s ASN 76 Cb -0.17 -1.17 0.02 0.00 -0.02 0.00 0.00 41.25 39.91 1pfj s ASN 76 CO -0.19 0.24 0.25 -0.36 -2.57 0.00 0.00 177.10 174.47 1pfj s PHE 77 N -1.13 -0.14 0.14 2.20 0.08 -0.73 -4.77 117.98 113.64 1pfj s PHE 77 Ca 0.20 0.24 -0.02 0.00 0.12 0.00 0.00 56.93 57.47 1pfj s PHE 77 Cb -0.11 0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.35 1pfj s PHE 77 CO 0.12 -0.31 0.10 -1.58 -0.10 0.00 0.00 175.22 173.44 1pfj s HIS 78 N -1.05 0.80 0.01 0.36 5.65 0.48 -1.13 115.29 120.41 1pfj s HIS 78 Ca -0.11 -1.17 0.03 0.00 0.25 0.00 0.00 55.06 54.06 1pfj s HIS 78 Cb -0.05 -0.42 -0.01 0.00 -1.18 0.00 0.00 32.58 30.92 1pfj s HIS 78 CO 0.03 -0.56 -0.09 -0.06 -0.65 0.00 0.00 174.74 173.41 1pfj s PHE 79 N -4.04 0.79 -0.29 3.88 0.40 -1.09 0.25 117.98 117.87 1pfj s PHE 79 Ca 0.24 -0.22 -0.15 0.00 -0.60 0.00 0.00 56.93 56.19 1pfj s PHE 79 Cb 0.07 -0.49 0.13 0.00 0.51 0.00 0.00 43.02 43.23 1pfj s PHE 79 CO 0.02 -0.01 0.87 0.45 0.70 0.00 0.00 175.22 177.24 1pfj s SER 80 N -0.53 -0.70 0.00 1.36 0.15 -1.26 -4.70 113.70 108.03 1pfj s SER 80 Ca 0.01 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1pfj s SER 80 Cb -0.05 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 1pfj s SER 80 CO 0.00 -0.17 0.00 0.59 1.20 0.00 0.00 173.24 174.86 1pfj n ASN 81 N 4.19 2.34 -0.10 5.45 4.13 -1.26 -4.87 115.26 125.13 1pfj n ASN 81 Ca -0.17 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 55.96 1pfj n ASN 81 Cb 0.57 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.70 1pfj n ASN 81 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1pfj n GLU 82 N 0.00 0.76 -0.06 3.52 0.28 -1.26 -4.80 120.64 119.07 1pfj n GLU 82 Ca 0.00 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1pfj n GLU 82 Cb 0.00 -1.41 0.00 0.00 1.43 0.00 0.00 31.44 31.46 1pfj n GLU 82 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1pfj n SER 83 N -2.96 0.00 -0.06 -1.84 7.64 -1.26 -4.87 113.62 110.27 1pfj n SER 83 Ca -0.33 -1.06 0.03 0.00 1.01 0.00 0.00 58.87 58.52 1pfj n SER 83 Cb 0.92 -0.01 0.05 0.00 -1.01 0.00 0.00 64.21 64.16 1pfj n SER 83 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1pfj n THR 84 N 0.00 1.12 -0.22 0.44 -1.04 -1.26 -4.71 114.28 108.60 1pfj n THR 84 Ca 0.00 -1.25 -0.01 0.00 -2.04 0.00 0.00 64.05 60.75 1pfj n THR 84 Cb 0.51 0.30 0.21 0.00 -1.82 0.00 0.00 70.33 69.54 1pfj n THR 84 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pfj n ALA 85 N -0.73 3.65 -1.74 2.41 0.00 -1.26 -4.55 120.51 118.29 1pfj n ALA 85 Ca 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1pfj n ALA 85 Cb 0.44 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1pfj n ALA 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pfj n VAL 86 N 0.14 0.00 0.00 0.00 0.31 -1.26 -4.45 118.33 113.07 1pfj n VAL 86 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1pfj n VAL 86 Cb 0.94 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.87 1pfj n VAL 86 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1pfj n LYS 87 N 0.00 0.00 -0.14 5.55 5.02 -1.26 0.21 118.16 127.54 1pfj n LYS 87 Ca 0.00 0.77 -0.04 0.00 -2.02 0.00 0.00 58.31 57.02 1pfj n LYS 87 Cb 0.00 -1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 1pfj n LYS 87 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1pfj n GLU 88 N -2.72 -0.14 -0.35 1.97 0.00 -1.26 0.31 120.64 118.44 1pfj n GLU 88 Ca 0.00 0.96 0.04 0.00 0.00 0.00 0.00 57.16 58.16 1pfj n GLU 88 Cb 0.00 -1.43 0.20 0.00 0.00 0.00 0.00 31.44 30.22 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 1.08 0.00 3.44 2.47 -1.54 1.55 114.38 121.38 1pfj h ARG 89 Ca 0.05 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1pfj h ARG 89 Cb 0.13 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1pfj h ARG 89 CO -0.31 0.71 0.22 0.22 0.56 0.00 0.00 179.97 181.38 1pfj h ASP 90 N 1.11 0.00 0.14 7.04 1.82 1.74 1.58 116.42 129.85 1pfj h ASP 90 Ca 0.43 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.72 1pfj h ASP 90 Cb 0.24 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.20 1pfj h ASP 90 CO -0.18 0.00 -2.13 0.00 -1.61 0.00 0.00 179.24 175.32 1pfj n ALA 91 N -1.71 1.23 0.22 -0.78 0.00 0.51 -1.52 120.51 118.47 1pfj n ALA 91 Ca -0.01 -0.86 -0.15 0.00 0.00 0.00 0.00 53.44 52.41 1pfj n ALA 91 Cb 0.25 -0.49 -0.07 0.00 0.00 0.00 0.00 19.45 19.14 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 0.43 -0.01 0.00 2.07 0.34 0.90 116.25 120.00 1pfj h VAL 92 Ca -0.46 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.09 1pfj h VAL 92 Cb 2.02 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 1pfj h VAL 92 CO 0.03 0.00 -0.20 0.50 0.02 0.00 0.00 177.57 177.92 1pfj h LYS 93 N -0.63 -0.30 -1.33 1.57 3.64 0.81 0.40 116.57 120.73 1pfj h LYS 93 Ca -0.03 0.02 0.39 0.00 -1.27 0.00 0.00 60.65 59.76 1pfj h LYS 93 Cb 0.55 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 1pfj h LYS 93 CO -0.00 -0.20 1.29 -3.47 -2.27 0.00 0.00 179.45 174.79 1pfj n ASP 94 N -5.33 0.00 -0.05 4.20 -0.08 -0.40 0.27 116.55 115.16 1pfj n ASP 94 Ca -0.05 0.83 -0.19 0.00 -1.51 0.00 0.00 54.79 53.87 1pfj n ASP 94 Cb 0.24 -0.33 -0.13 0.00 2.34 0.00 0.00 41.12 43.24 1pfj n ASP 94 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1pfj h LEU 95 N 0.00 0.15 -0.80 -2.67 3.38 0.21 -3.28 115.31 112.30 1pfj h LEU 95 Ca 0.63 -0.81 0.07 0.00 0.09 0.00 0.00 57.88 57.87 1pfj h LEU 95 Cb 3.20 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 43.81 1pfj h LEU 95 CO -0.01 1.35 -0.47 0.18 0.09 0.00 0.00 178.44 179.58 1pfj n LEU 96 N -4.33 -0.84 0.00 1.67 4.77 0.75 0.33 117.00 119.35 1pfj n LEU 96 Ca -0.21 1.50 0.07 0.00 -0.03 0.00 0.00 56.01 57.35 1pfj n LEU 96 Cb 0.68 -0.23 0.40 0.00 -2.33 0.00 0.00 43.42 41.95 1pfj n LEU 96 CO 0.33 -1.20 0.66 0.00 -1.33 0.00 0.00 177.39 175.85 1pfj n GLN 97 N -4.88 0.36 -0.08 3.23 0.00 -0.97 -1.37 117.38 113.68 1pfj n GLN 97 Ca 0.02 0.06 -0.11 0.00 0.00 0.00 0.00 57.00 56.97 1pfj n GLN 97 Cb 0.21 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 28.80 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 -1.11 0.67 -0.04 2.61 7.27 1.00 -4.38 117.38 123.40 1pfj n GLN 98 Ca 0.09 0.10 -0.11 0.00 0.07 0.00 0.00 57.00 57.16 1pfj n GLN 98 Cb 0.07 -1.61 -0.14 0.00 2.41 0.00 0.00 30.24 30.97 1pfj n GLN 98 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1pfj n LEU 99 N -2.91 1.04 -0.35 1.69 4.32 0.18 -4.05 117.00 116.92 1pfj n LEU 99 Ca -0.29 0.26 0.23 0.00 -0.02 0.00 0.00 56.01 56.19 1pfj n LEU 99 Cb 1.11 0.00 0.49 0.00 -1.62 0.00 0.00 43.42 43.40 1pfj n LEU 99 CO 0.42 0.51 1.18 -0.07 -1.22 0.00 0.00 177.39 178.22 1pfj h LEU 100 N 0.01 0.50 0.00 2.23 4.07 -1.43 2.42 115.31 123.11 1pfj h LEU 100 Ca -0.38 0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1pfj h LEU 100 Cb 2.07 0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.86 1pfj h LEU 100 CO 0.06 0.01 0.00 -2.65 -1.08 0.00 0.00 178.44 174.78 1pfj n PRO 101 N -4.80 0.29 0.01 1.13 -0.02 -1.26 -1.62 135.00 128.73 1pfj n PRO 101 Ca 0.29 0.09 -0.22 0.00 -2.02 0.00 0.00 63.50 61.64 1pfj n PRO 101 Cb 0.94 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.78 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 0.25 -0.01 -0.52 3.64 0.39 -3.39 116.57 116.92 1pfj h LYS 102 Ca 0.00 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1pfj h LYS 102 Cb 0.07 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1pfj h LYS 102 CO 0.00 1.20 -0.03 1.97 -2.27 0.00 0.00 179.45 180.32 1pfj n PHE 103 N -3.82 0.00 -3.26 1.91 -1.74 -1.17 -4.87 117.46 104.52 1pfj n PHE 103 Ca -0.27 0.00 -0.05 0.00 -0.56 0.00 0.00 57.45 56.57 1pfj n PHE 103 Cb 0.94 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.90 1pfj n PHE 103 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1pfj s LYS 104 N -1.11 0.45 -0.48 3.97 2.47 -0.64 -4.92 119.74 119.48 1pfj s LYS 104 Ca 0.14 0.39 0.06 0.00 -1.56 0.00 0.00 55.97 55.00 1pfj s LYS 104 Cb 0.10 -0.11 0.27 0.00 -1.46 0.00 0.00 37.83 36.64 1pfj s LYS 104 CO 0.18 -0.93 0.98 -2.13 0.16 0.00 0.00 175.35 173.61 1pfj n ARG 105 N 5.38 0.87 -1.85 4.03 0.63 -1.26 -4.05 116.66 120.41 1pfj n ARG 105 Ca 0.01 -1.80 -0.42 0.00 -0.92 0.00 0.00 57.85 54.72 1pfj n ARG 105 Cb 0.51 -1.29 -0.02 0.00 0.45 0.00 0.00 32.46 32.11 1pfj n ARG 105 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1pfj s LYS 106 N 0.53 4.17 0.00 -0.14 2.47 -1.26 -4.83 119.74 120.67 1pfj s LYS 106 Ca 0.28 2.49 0.01 0.00 -1.56 0.00 0.00 55.97 57.19 1pfj s LYS 106 Cb 0.25 -3.06 0.01 0.00 -1.46 0.00 0.00 37.83 33.58 1pfj s LYS 106 CO -0.17 -0.58 0.67 0.00 0.16 0.00 0.00 175.35 175.43 1pfj n ALA 107 N 2.45 2.48 0.51 3.13 0.00 -1.26 -5.26 120.51 122.56 1pfj n ALA 107 Ca 0.09 -0.29 0.04 0.00 0.00 0.00 0.00 53.44 53.28 1pfj n ALA 107 Cb 0.38 -0.13 0.24 0.00 0.00 0.00 0.00 19.45 19.94 1pfj n ALA 107 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59