#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfj n ALA 2 N 0.00 1.92 -0.98 -5.12 0.00 -1.26 -5.10 120.51 109.97 1pfj n ALA 2 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 53.44 52.69 1pfj n ALA 2 Cb 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 19.45 19.10 1pfj n ALA 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pfj n THR 3 N 0.00 0.00 -0.51 0.00 -2.24 -1.26 -4.94 114.28 105.33 1pfj n THR 3 Ca 0.00 -0.01 -0.17 0.00 -2.27 0.00 0.00 64.05 61.60 1pfj n THR 3 Cb 0.64 -0.44 0.15 0.00 -2.10 0.00 0.00 70.33 68.58 1pfj n THR 3 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1pfj n SER 4 N -3.10 -3.05 -0.01 3.42 2.88 -1.26 -4.97 113.62 107.52 1pfj n SER 4 Ca 0.01 -0.41 -0.01 0.00 -1.33 0.00 0.00 58.87 57.13 1pfj n SER 4 Cb 0.03 -0.76 -0.00 0.00 -0.75 0.00 0.00 64.21 62.72 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 -1.35 0.27 -4.74 -3.46 7.64 -1.26 -4.95 113.62 105.77 1pfj n SER 5 Ca 0.06 0.24 -0.31 0.00 1.01 0.00 0.00 58.87 59.88 1pfj n SER 5 Cb 0.34 -0.55 0.11 0.00 -1.01 0.00 0.00 64.21 63.10 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 -1.20 1.87 -0.22 1.43 8.01 -1.26 -5.02 118.70 122.30 1pfj s GLU 6 Ca -0.03 1.16 0.02 0.00 0.01 0.00 0.00 54.97 56.13 1pfj s GLU 6 Cb 0.00 -1.85 0.04 0.00 -4.31 0.00 0.00 34.13 28.01 1pfj s GLU 6 CO 0.04 -1.91 -0.14 -1.21 0.01 0.00 0.00 175.26 172.04 1pfj s GLU 7 N -4.87 2.50 0.17 1.61 0.41 -1.26 -5.11 118.70 112.15 1pfj s GLU 7 Ca 0.62 -1.09 0.01 0.00 -0.41 0.00 0.00 54.97 54.11 1pfj s GLU 7 Cb -0.18 -2.71 -0.04 0.00 -1.78 0.00 0.00 34.13 29.42 1pfj s GLU 7 CO 0.57 -0.42 0.33 0.14 -0.49 0.00 0.00 175.26 175.39 1pfj s VAL 8 N 1.21 5.27 -0.20 2.63 -7.23 -1.26 -3.60 120.40 117.23 1pfj s VAL 8 Ca -0.03 -0.56 0.13 0.00 -1.81 0.00 0.00 61.98 59.71 1pfj s VAL 8 Cb -0.17 -3.74 -0.23 0.00 0.56 0.00 0.00 36.38 32.80 1pfj s VAL 8 CO -0.08 -0.13 0.07 -0.11 -0.31 0.00 0.00 175.10 174.53 1pfj n LEU 9 N -0.62 0.87 -3.63 1.32 7.94 -1.19 -4.82 117.00 116.87 1pfj n LEU 9 Ca -0.06 0.01 -0.04 0.00 -1.11 0.00 0.00 56.01 54.81 1pfj n LEU 9 Cb 0.54 0.08 -0.05 0.00 0.53 0.00 0.00 43.42 44.52 1pfj n LEU 9 CO 0.48 0.60 1.05 -0.22 -1.11 0.00 0.00 177.39 178.20 1pfj s LEU 10 N -5.84 -0.14 -0.00 -1.96 2.96 -0.98 -5.03 118.68 107.68 1pfj s LEU 10 Ca -0.16 0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1pfj s LEU 10 Cb 0.07 1.31 -0.00 0.00 0.50 0.00 0.00 46.19 48.07 1pfj s LEU 10 CO 0.77 -0.10 0.01 -0.51 -1.32 0.00 0.00 176.35 175.20 1pfj s ILE 11 N -0.73 0.02 -0.18 6.68 -1.16 -1.26 0.46 121.20 125.03 1pfj s ILE 11 Ca 0.06 -0.13 0.01 0.00 -0.51 0.00 0.00 60.65 60.08 1pfj s ILE 11 Cb -0.02 -0.06 0.03 0.00 0.61 0.00 0.00 42.46 43.02 1pfj s ILE 11 CO -0.07 -0.07 -0.15 0.68 -2.81 0.00 0.00 174.94 172.51 1pfj s VAL 12 N -0.20 1.85 0.00 4.00 -7.23 -0.33 -4.95 120.40 113.54 1pfj s VAL 12 Ca -0.02 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 1pfj s VAL 12 Cb -0.01 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 35.16 1pfj s VAL 12 CO -0.00 0.38 0.34 1.17 -0.31 0.00 0.00 175.10 176.68 1pfj n LYS 13 N 4.66 0.00 -1.60 4.82 4.81 -1.26 -1.52 118.16 128.06 1pfj n LYS 13 Ca -0.18 0.03 -0.48 0.00 -0.87 0.00 0.00 58.31 56.81 1pfj n LYS 13 Cb 0.48 -0.84 -0.04 0.00 0.02 0.00 0.00 35.03 34.66 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 -0.37 1.35 -3.72 1.64 4.01 -1.26 -1.97 118.16 117.84 1pfj n LYS 14 Ca 0.00 0.48 -0.14 0.00 -0.51 0.00 0.00 58.31 58.15 1pfj n LYS 14 Cb 0.00 -2.03 -0.08 0.00 -0.51 0.00 0.00 35.03 32.41 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 -0.05 0.05 -0.07 -0.18 1.01 0.19 -4.65 120.40 116.70 1pfj s VAL 15 Ca 0.74 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.33 1pfj s VAL 15 Cb -0.82 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 1pfj s VAL 15 CO 0.51 -0.24 -0.22 -0.60 0.00 0.00 0.00 175.10 174.55 1pfj s ARG 16 N -1.52 2.47 -0.03 2.72 6.06 0.42 0.73 118.95 129.80 1pfj s ARG 16 Ca -0.12 -0.78 0.01 0.00 -2.50 0.00 0.00 55.73 52.34 1pfj s ARG 16 Cb -0.04 -2.00 0.02 0.00 0.06 0.00 0.00 34.95 33.00 1pfj s ARG 16 CO 0.04 0.24 -0.01 1.14 -2.50 0.00 0.00 175.30 174.21 1pfj s GLN 17 N 0.14 0.42 0.52 5.12 -2.07 0.49 0.22 119.66 124.50 1pfj s GLN 17 Ca -0.10 0.03 0.10 0.00 -1.82 0.00 0.00 55.36 53.57 1pfj s GLN 17 Cb -0.15 -0.55 0.35 0.00 -1.09 0.00 0.00 33.01 31.57 1pfj s GLN 17 CO 0.05 -0.11 0.93 1.63 -1.32 0.00 0.00 175.29 176.47 1pfj n LYS 18 N 4.06 0.02 -0.07 9.60 5.02 -1.26 0.80 118.16 136.34 1pfj n LYS 18 Ca -0.26 0.81 -0.10 0.00 -2.02 0.00 0.00 58.31 56.74 1pfj n LYS 18 Cb 0.51 -2.09 -0.09 0.00 -0.02 0.00 0.00 35.03 33.34 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 -3.61 1.97 2.10 -1.94 -3.49 116.57 111.60 1pfj h LYS 19 Ca 0.19 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.78 1pfj h LYS 19 Cb 2.00 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 33.23 1pfj h LYS 19 CO -0.00 0.66 -0.12 -1.14 -2.00 0.00 0.00 179.45 176.85 1pfj s GLN 20 N -2.01 1.46 -0.15 0.07 0.74 0.24 -5.13 119.66 114.87 1pfj s GLN 20 Ca -0.13 -1.16 -0.05 0.00 0.05 0.00 0.00 55.36 54.06 1pfj s GLN 20 Cb -0.02 0.47 -0.03 0.00 1.10 0.00 0.00 33.01 34.53 1pfj s GLN 20 CO 0.45 -0.60 0.01 -0.51 -0.55 0.00 0.00 175.29 174.09 1pfj s ASP 21 N -2.98 5.23 0.20 6.67 1.01 -1.26 -0.38 116.67 125.15 1pfj s ASP 21 Ca 0.19 0.01 -0.23 0.00 0.71 0.00 0.00 52.55 53.23 1pfj s ASP 21 Cb -0.00 -1.80 0.05 0.00 1.01 0.00 0.00 42.92 42.18 1pfj s ASP 21 CO 0.05 0.22 0.74 -0.83 0.21 0.00 0.00 175.17 175.56 1pfj s GLY 22 N 0.10 -0.30 0.04 0.21 0.00 0.22 -4.91 107.32 102.68 1pfj s GLY 22 Ca 0.02 0.12 -0.25 0.00 0.00 0.00 0.00 44.72 44.61 1pfj s GLY 22 CO 0.02 0.04 0.78 0.00 0.00 0.00 0.00 173.10 173.93 1pfj s ALA 23 N -3.69 3.35 -0.11 3.20 0.00 0.34 0.54 121.76 125.39 1pfj s ALA 23 Ca 0.08 0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 1pfj s ALA 23 Cb -0.03 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 1pfj s ALA 23 CO -0.01 0.04 -0.04 -0.51 0.00 0.00 0.00 175.76 175.24 1pfj s LEU 24 N 0.05 3.30 -0.01 0.00 1.43 -0.58 0.10 118.68 122.96 1pfj s LEU 24 Ca 0.39 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 1pfj s LEU 24 Cb -0.20 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1pfj s LEU 24 CO 0.23 0.28 -0.18 -0.31 0.23 0.00 0.00 176.35 176.60 1pfj s TYR 25 N -0.29 2.59 -0.03 0.29 1.51 0.35 -1.18 117.35 120.58 1pfj s TYR 25 Ca 0.05 -0.24 0.07 0.00 -1.01 0.00 0.00 57.07 55.94 1pfj s TYR 25 Cb -0.13 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 1pfj s TYR 25 CO 0.02 0.17 -0.25 -1.17 -1.11 0.00 0.00 175.55 173.21 1pfj s LEU 26 N -0.96 2.05 -0.04 -1.29 2.96 0.17 0.71 118.68 122.30 1pfj s LEU 26 Ca 0.12 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 53.49 1pfj s LEU 26 Cb -0.10 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.26 1pfj s LEU 26 CO 0.02 0.29 0.16 -0.32 -1.32 0.00 0.00 176.35 175.17 1pfj s MET 27 N -0.43 0.32 0.25 1.98 -2.45 0.28 -2.33 119.30 116.93 1pfj s MET 27 Ca 0.05 -0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.45 1pfj s MET 27 Cb -0.11 0.14 0.59 0.00 1.25 0.00 0.00 34.83 36.69 1pfj s MET 27 CO 0.01 -0.06 1.29 0.00 1.05 0.00 0.00 175.02 177.31 1pfj n ALA 28 N 2.33 0.38 0.03 4.11 0.00 -1.24 0.29 120.51 126.41 1pfj n ALA 28 Ca -0.17 0.89 -0.10 0.00 0.00 0.00 0.00 53.44 54.06 1pfj n ALA 28 Cb 0.57 -0.63 -0.13 0.00 0.00 0.00 0.00 19.45 19.26 1pfj n ALA 28 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1pfj h GLU 29 N 0.00 0.06 -2.79 0.00 4.57 -1.94 -3.43 114.58 111.05 1pfj h GLU 29 Ca 0.48 -0.10 0.07 0.00 -1.18 0.00 0.00 59.36 58.64 1pfj h GLU 29 Cb 0.95 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.50 1pfj h GLU 29 CO -0.79 0.83 0.31 -0.98 -1.18 0.00 0.00 179.01 177.19 1pfj s ARG 30 N -2.64 1.44 -0.14 1.92 3.03 0.15 0.13 118.95 122.83 1pfj s ARG 30 Ca -0.04 -0.72 -0.03 0.00 2.03 0.00 0.00 55.73 56.97 1pfj s ARG 30 Cb 0.08 0.54 -0.03 0.00 -1.03 0.00 0.00 34.95 34.52 1pfj s ARG 30 CO 0.83 -0.65 -0.04 0.42 -1.13 0.00 0.00 175.30 174.73 1pfj s ILE 31 N -3.66 3.91 0.22 4.99 1.01 -0.64 1.00 121.20 128.03 1pfj s ILE 31 Ca 0.08 -0.36 0.10 0.00 0.00 0.00 0.00 60.65 60.47 1pfj s ILE 31 Cb -0.03 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1pfj s ILE 31 CO -0.01 0.51 -0.08 0.00 0.00 0.00 0.00 174.94 175.36 1pfj s ALA 32 N 0.14 2.97 -0.02 9.38 0.00 0.22 0.12 121.76 134.57 1pfj s ALA 32 Ca -0.01 -1.59 0.04 0.00 0.00 0.00 0.00 51.96 50.39 1pfj s ALA 32 Cb -0.14 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.31 1pfj s ALA 32 CO 0.03 0.37 -0.13 -0.46 0.00 0.00 0.00 175.76 175.57 1pfj s TRP 33 N -2.01 1.25 -0.04 0.00 -0.00 -0.30 0.13 118.94 117.97 1pfj s TRP 33 Ca 0.27 -0.29 -0.18 0.00 -0.00 0.00 0.00 56.10 55.90 1pfj s TRP 33 Cb -0.07 -0.84 0.03 0.00 -0.00 0.00 0.00 33.47 32.59 1pfj s TRP 33 CO 0.16 -0.08 0.40 0.00 -0.00 0.00 0.00 176.95 177.43 1pfj s ALA 34 N -0.06 -1.01 0.00 5.86 0.00 0.11 0.33 121.76 127.00 1pfj s ALA 34 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1pfj s ALA 34 Cb -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1pfj s ALA 34 CO 0.00 -0.27 0.00 -0.35 0.00 0.00 0.00 175.76 175.14 1pfj n PRO 35 N 1.44 3.30 -3.61 0.00 -0.04 -1.25 0.13 135.00 134.96 1pfj n PRO 35 Ca -0.20 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.87 1pfj n PRO 35 Cb 0.56 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.95 1pfj n PRO 35 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1pfj s GLU 36 N 2.98 2.99 0.28 0.54 -1.05 -1.26 -4.82 118.70 118.36 1pfj s GLU 36 Ca 0.00 -2.70 -0.11 0.00 -0.15 0.00 0.00 54.97 52.01 1pfj s GLU 36 Cb 0.00 -3.96 0.04 0.00 -0.44 0.00 0.00 34.13 29.78 1pfj s GLU 36 CO 0.00 -1.22 0.57 0.41 0.95 0.00 0.00 175.26 175.97 1pfj n GLY 37 N 3.31 1.27 0.00 -3.83 0.00 -1.26 -5.06 105.19 99.61 1pfj n GLY 37 Ca 0.13 -1.18 0.00 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 -0.38 0.00 -1.87 1.61 5.02 -1.26 -4.31 118.16 116.97 1pfj n LYS 38 Ca -0.06 0.76 -0.40 0.00 -2.02 0.00 0.00 58.31 56.58 1pfj n LYS 38 Cb 0.42 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1pfj n LYS 38 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1pfj s ASP 39 N -2.68 6.15 0.00 4.39 1.47 -1.26 -4.96 116.67 119.79 1pfj s ASP 39 Ca 0.00 2.89 0.00 0.00 1.18 0.00 0.00 52.55 56.62 1pfj s ASP 39 Cb 0.00 -2.65 0.00 0.00 -0.34 0.00 0.00 42.92 39.93 1pfj s ASP 39 CO 0.00 -0.98 0.00 -2.11 0.68 0.00 0.00 175.17 172.76 1pfj n ARG 40 N 0.12 0.00 -1.68 2.11 1.85 -1.26 -4.72 116.66 113.08 1pfj n ARG 40 Ca 0.03 0.00 -0.58 0.00 -1.00 0.00 0.00 57.85 56.30 1pfj n ARG 40 Cb 0.41 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.75 1pfj n ARG 40 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1pfj n PHE 41 N -0.03 1.97 -0.07 2.89 3.72 -1.26 -3.91 117.46 120.76 1pfj n PHE 41 Ca 0.00 0.59 -0.19 0.00 -0.05 0.00 0.00 57.45 57.80 1pfj n PHE 41 Cb 0.00 -2.44 -0.13 0.00 -0.94 0.00 0.00 39.48 35.97 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 4.80 1.60 -4.01 4.37 5.66 1.01 -4.92 114.28 122.78 1pfj n THR 42 Ca 0.29 -0.62 -0.12 0.00 -3.05 0.00 0.00 64.05 60.55 1pfj n THR 42 Cb 0.11 -1.48 -0.04 0.00 -1.55 0.00 0.00 70.33 67.37 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 -2.54 0.00 -0.28 1.09 -4.36 -0.43 -4.90 121.20 109.78 1pfj s ILE 43 Ca -0.28 -1.45 -0.15 0.00 -0.26 0.00 0.00 60.65 58.52 1pfj s ILE 43 Cb 0.08 -2.52 0.09 0.00 1.25 0.00 0.00 42.46 41.36 1pfj s ILE 43 CO 0.68 0.00 0.67 -0.94 0.24 0.00 0.00 174.94 175.59 1pfj s SER 44 N -3.13 -0.96 -0.40 4.36 1.04 -1.24 -1.15 113.70 112.22 1pfj s SER 44 Ca 0.25 1.50 -0.07 0.00 0.48 0.00 0.00 55.95 58.12 1pfj s SER 44 Cb -0.01 1.52 0.08 0.00 0.10 0.00 0.00 66.02 67.71 1pfj s SER 44 CO 0.15 -0.23 0.21 -1.00 0.98 0.00 0.00 173.24 173.34 1pfj s HIS 45 N 1.85 3.38 -0.46 5.02 0.09 0.33 -4.83 115.29 120.66 1pfj s HIS 45 Ca -0.09 -1.75 -0.27 0.00 -0.00 0.00 0.00 55.06 52.95 1pfj s HIS 45 Cb -0.06 -2.87 -0.04 0.00 -0.00 0.00 0.00 32.58 29.61 1pfj s HIS 45 CO -0.19 -0.86 2.04 1.41 -0.00 0.00 0.00 174.74 177.14 1pfj s MET 46 N 1.34 2.70 0.24 1.40 1.75 -1.25 -1.63 119.30 123.85 1pfj s MET 46 Ca 0.03 1.20 0.14 0.00 -1.25 0.00 0.00 55.69 55.81 1pfj s MET 46 Cb -0.22 -4.40 0.85 0.00 2.84 0.00 0.00 34.83 33.90 1pfj s MET 46 CO 0.00 -2.61 0.97 0.66 -0.65 0.00 0.00 175.02 173.40 1pfj n TYR 47 N 12.95 0.66 -0.06 4.11 4.02 0.34 0.29 117.16 139.47 1pfj n TYR 47 Ca 0.27 0.67 -0.12 0.00 -0.01 0.00 0.00 57.90 58.70 1pfj n TYR 47 Cb 0.51 -1.10 -0.06 0.00 -0.02 0.00 0.00 39.34 38.67 1pfj n TYR 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1pfj h ALA 48 N 1.18 0.26 0.00 -0.72 0.00 -1.87 -1.33 119.26 116.79 1pfj h ALA 48 Ca 0.53 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1pfj h ALA 48 Cb 1.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1pfj h ALA 48 CO -0.44 0.08 0.00 -0.25 0.00 0.00 0.00 179.25 178.65 1pfj n ASP 49 N -4.59 0.00 -4.06 0.00 9.92 0.84 -4.29 116.55 114.38 1pfj n ASP 49 Ca -0.05 0.16 -0.32 0.00 -0.53 0.00 0.00 54.79 54.05 1pfj n ASP 49 Cb 0.32 -0.28 -0.16 0.00 -0.64 0.00 0.00 41.12 40.35 1pfj n ASP 49 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1pfj s ILE 50 N -2.57 1.87 -0.27 0.53 -1.09 -0.04 -3.19 121.20 116.45 1pfj s ILE 50 Ca 0.08 -1.03 -0.03 0.00 -2.23 0.00 0.00 60.65 57.44 1pfj s ILE 50 Cb 0.06 -1.83 0.09 0.00 -1.58 0.00 0.00 42.46 39.20 1pfj s ILE 50 CO 0.13 0.31 0.10 -0.75 -1.23 0.00 0.00 174.94 173.51 1pfj s LYS 51 N 1.32 0.41 0.00 2.79 2.47 0.55 -4.73 119.74 122.55 1pfj s LYS 51 Ca 0.01 -0.62 0.00 0.00 -1.56 0.00 0.00 55.97 53.80 1pfj s LYS 51 Cb -0.15 -1.65 0.00 0.00 -1.46 0.00 0.00 37.83 34.57 1pfj s LYS 51 CO -0.10 -0.90 0.00 0.00 0.16 0.00 0.00 175.35 174.51 1pfj s GLN 53 N -0.13 0.06 -0.14 0.00 -1.52 -1.26 -1.57 119.66 115.09 1pfj s GLN 53 Ca 0.00 0.39 -0.04 0.00 -1.95 0.00 0.00 55.36 53.76 1pfj s GLN 53 Cb 0.00 -0.22 0.05 0.00 -0.22 0.00 0.00 33.01 32.62 1pfj s GLN 53 CO 0.00 -0.20 0.07 0.21 -0.25 0.00 0.00 175.29 175.12 1pfj s LYS 54 N 1.42 0.20 -0.27 2.91 2.20 -0.14 -5.02 119.74 121.06 1pfj s LYS 54 Ca -0.06 -0.05 -0.02 0.00 -0.36 0.00 0.00 55.97 55.48 1pfj s LYS 54 Cb -0.12 -1.57 0.11 0.00 -1.51 0.00 0.00 37.83 34.75 1pfj s LYS 54 CO -0.05 -0.57 0.23 0.96 -0.36 0.00 0.00 175.35 175.56 1pfj s ILE 55 N 2.07 -0.29 -0.29 5.43 -5.25 -1.26 -1.39 121.20 120.22 1pfj s ILE 55 Ca 0.02 -0.47 0.07 0.00 -0.99 0.00 0.00 60.65 59.29 1pfj s ILE 55 Cb -0.15 -0.90 0.46 0.00 2.95 0.00 0.00 42.46 44.81 1pfj s ILE 55 CO -0.07 -0.47 1.21 -1.20 -1.79 0.00 0.00 174.94 172.61 1pfj n SER 56 N 5.30 4.59 -1.92 4.36 7.64 -1.26 -4.83 113.62 127.49 1pfj n SER 56 Ca -0.04 -3.77 -0.11 0.00 1.01 0.00 0.00 58.87 55.96 1pfj n SER 56 Cb 0.46 -0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 63.21 1pfj n SER 56 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1pfj n PRO 57 N -0.76 1.75 -0.03 1.43 -0.02 -1.26 -3.90 135.00 132.21 1pfj n PRO 57 Ca 0.41 -1.00 -0.08 0.00 -2.02 0.00 0.00 63.50 60.82 1pfj n PRO 57 Cb 0.93 -1.68 -0.14 0.00 -0.02 0.00 0.00 33.50 32.59 1pfj n PRO 57 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pfj n GLU 58 N 1.68 0.64 -2.72 -0.52 1.02 -1.26 -4.36 120.64 115.12 1pfj n GLU 58 Ca 0.30 0.26 -0.06 0.00 -0.02 0.00 0.00 57.16 57.64 1pfj n GLU 58 Cb 0.70 -1.77 0.05 0.00 -0.02 0.00 0.00 31.44 30.40 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 1.56 1.60 0.10 0.62 0.00 -1.25 -5.10 105.19 102.72 1pfj n GLY 59 Ca -0.18 -1.03 -0.01 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.36 1.36 -0.03 1.61 4.01 -1.26 -5.02 118.16 118.46 1pfj n LYS 60 Ca 0.06 -0.09 -0.02 0.00 -0.51 0.00 0.00 58.31 57.74 1pfj n LYS 60 Cb 0.82 0.01 -0.02 0.00 -0.51 0.00 0.00 35.03 35.33 1pfj n LYS 60 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pfj h ALA 61 N 0.69 -0.29 0.00 7.82 0.00 -1.95 -3.42 119.26 122.10 1pfj h ALA 61 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1pfj h ALA 61 Cb 0.03 0.85 -0.11 0.00 0.00 0.00 0.00 17.79 18.57 1pfj h ALA 61 CO 0.01 -0.34 -0.00 0.36 0.00 0.00 0.00 179.25 179.28 1pfj n LYS 62 N -3.20 0.39 -1.54 0.00 0.00 -1.26 -5.07 118.16 107.49 1pfj n LYS 62 Ca -0.00 -1.00 -0.00 0.00 -0.00 0.00 0.00 58.31 57.31 1pfj n LYS 62 Cb 0.05 -0.22 0.00 0.00 -0.00 0.00 0.00 35.03 34.86 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 0.04 -2.27 -4.90 0.58 0.13 -1.26 -4.46 119.36 107.22 1pfj n ILE 63 Ca -0.11 0.03 -0.28 0.00 -1.10 0.00 0.00 62.75 61.29 1pfj n ILE 63 Cb 0.72 -4.10 -0.17 0.00 -0.84 0.00 0.00 39.64 35.26 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 -0.96 2.29 0.26 9.51 -2.07 -1.26 -1.85 119.66 125.58 1pfj s GLN 64 Ca 0.01 -0.64 0.06 0.00 -1.82 0.00 0.00 55.36 52.97 1pfj s GLN 64 Cb -0.00 -1.81 -0.05 0.00 -1.09 0.00 0.00 33.01 30.05 1pfj s GLN 64 CO 0.02 0.12 -0.07 -0.48 -1.32 0.00 0.00 175.29 173.57 1pfj s LEU 65 N 0.44 2.46 -0.09 2.60 -0.00 -0.00 -4.27 118.68 119.82 1pfj s LEU 65 Ca -0.15 -1.16 -0.04 0.00 -0.00 0.00 0.00 54.13 52.78 1pfj s LEU 65 Cb -0.16 -0.59 0.04 0.00 -0.00 0.00 0.00 46.19 45.48 1pfj s LEU 65 CO 0.06 -0.33 0.20 -1.58 -0.00 0.00 0.00 176.35 174.69 1pfj s GLN 66 N -3.73 0.14 0.05 1.48 0.74 -0.49 -1.93 119.66 115.91 1pfj s GLN 66 Ca 0.28 0.46 0.03 0.00 0.05 0.00 0.00 55.36 56.18 1pfj s GLN 66 Cb 0.03 -0.15 -0.02 0.00 1.10 0.00 0.00 33.01 33.96 1pfj s GLN 66 CO 0.10 -0.17 -0.09 -1.17 -0.55 0.00 0.00 175.29 173.41 1pfj s LEU 67 N 1.30 2.25 0.23 3.68 2.96 0.45 -0.96 118.68 128.59 1pfj s LEU 67 Ca -0.08 -0.54 0.10 0.00 -0.22 0.00 0.00 54.13 53.39 1pfj s LEU 67 Cb -0.11 -0.25 -0.05 0.00 0.50 0.00 0.00 46.19 46.28 1pfj s LEU 67 CO -0.07 -0.16 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.91 1pfj s VAL 68 N -1.29 2.20 0.31 1.68 1.01 -0.61 0.28 120.40 123.98 1pfj s VAL 68 Ca -0.08 -2.21 -0.20 0.00 0.00 0.00 0.00 61.98 59.49 1pfj s VAL 68 Cb -0.10 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 1pfj s VAL 68 CO 0.01 -0.37 0.81 -0.76 0.00 0.00 0.00 175.10 174.79 1pfj s LEU 69 N -3.16 4.20 0.43 3.92 2.01 0.58 0.21 118.68 126.86 1pfj s LEU 69 Ca 0.24 1.51 0.22 0.00 0.01 0.00 0.00 54.13 56.12 1pfj s LEU 69 Cb -0.05 -3.98 1.20 0.00 0.01 0.00 0.00 46.19 43.38 1pfj s LEU 69 CO 0.11 -0.12 1.78 1.12 1.01 0.00 0.00 176.35 180.24 1pfj h HIS 70 N 2.79 0.52 -0.07 0.29 2.07 -1.75 -3.37 115.15 115.62 1pfj h HIS 70 Ca -0.48 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 1pfj h HIS 70 Cb 1.19 -0.15 0.00 0.00 2.57 0.00 0.00 27.41 31.02 1pfj h HIS 70 CO 0.62 0.04 0.00 0.00 -3.07 0.00 0.00 177.93 175.52 1pfj n ALA 71 N -2.53 0.00 -2.30 6.11 0.00 -1.26 -4.90 120.51 115.63 1pfj n ALA 71 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 1pfj n ALA 71 Cb 0.96 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.43 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 2.82 5.78 3.13 0.00 0.00 -1.26 -4.96 105.19 110.70 1pfj n GLY 72 Ca 0.00 -2.63 -0.23 0.00 0.00 0.00 0.00 46.02 43.16 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 -2.26 1.81 0.19 1.61 1.01 -1.26 -4.98 116.67 112.80 1pfj s ASP 73 Ca 0.49 -0.30 0.07 0.00 0.71 0.00 0.00 52.55 53.52 1pfj s ASP 73 Cb 0.38 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 44.08 1pfj s ASP 73 CO -0.28 0.18 0.06 -0.89 0.21 0.00 0.00 175.17 174.45 1pfj s THR 74 N -0.40 4.00 -0.27 -1.27 2.01 -1.26 0.21 115.64 118.66 1pfj s THR 74 Ca 0.06 -1.37 0.01 0.00 0.31 0.00 0.00 61.69 60.69 1pfj s THR 74 Cb -0.06 -3.05 0.08 0.00 0.01 0.00 0.00 72.50 69.47 1pfj s THR 74 CO -0.00 -0.16 0.01 -0.89 -0.69 0.00 0.00 174.62 172.89 1pfj s THR 75 N -1.84 1.44 -0.07 -0.82 2.01 0.78 -4.86 115.64 112.28 1pfj s THR 75 Ca 0.29 -1.46 0.01 0.00 0.31 0.00 0.00 61.69 60.85 1pfj s THR 75 Cb -0.09 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1pfj s THR 75 CO 0.21 -0.37 -0.09 0.20 -0.69 0.00 0.00 174.62 173.89 1pfj s ASN 76 N 1.38 4.48 -0.05 3.53 -0.87 -1.26 -0.41 114.94 121.75 1pfj s ASN 76 Ca 0.02 -0.09 -0.08 0.00 -1.57 0.00 0.00 52.86 51.14 1pfj s ASN 76 Cb -0.18 -1.17 0.02 0.00 -0.02 0.00 0.00 41.25 39.89 1pfj s ASN 76 CO -0.12 0.33 0.21 -0.36 -2.57 0.00 0.00 177.10 174.59 1pfj s PHE 77 N -0.63 -0.15 0.12 2.20 0.08 -0.82 -4.83 117.98 113.96 1pfj s PHE 77 Ca 0.09 0.33 0.04 0.00 0.12 0.00 0.00 56.93 57.51 1pfj s PHE 77 Cb -0.11 0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.34 1pfj s PHE 77 CO 0.02 -0.20 -0.10 -1.58 -0.10 0.00 0.00 175.22 173.25 1pfj s HIS 78 N -0.53 1.18 0.08 0.36 5.65 0.59 -0.82 115.29 121.81 1pfj s HIS 78 Ca -0.06 -0.71 0.09 0.00 0.25 0.00 0.00 55.06 54.62 1pfj s HIS 78 Cb -0.04 -0.62 -0.04 0.00 -1.18 0.00 0.00 32.58 30.70 1pfj s HIS 78 CO 0.01 0.05 -0.21 -0.06 -0.65 0.00 0.00 174.74 173.88 1pfj s PHE 79 N -2.92 2.48 -0.30 3.88 0.08 -0.77 0.16 117.98 120.59 1pfj s PHE 79 Ca 0.12 -0.30 -0.16 0.00 0.12 0.00 0.00 56.93 56.71 1pfj s PHE 79 Cb 0.00 -1.38 0.20 0.00 -0.57 0.00 0.00 43.02 41.27 1pfj s PHE 79 CO 0.00 0.29 1.19 0.45 -0.10 0.00 0.00 175.22 177.06 1pfj s SER 80 N -1.75 -0.17 0.21 1.36 0.15 -1.26 -4.75 113.70 107.49 1pfj s SER 80 Ca 0.15 0.27 -0.12 0.00 0.70 0.00 0.00 55.95 56.95 1pfj s SER 80 Cb -0.10 1.06 -0.00 0.00 -1.71 0.00 0.00 66.02 65.27 1pfj s SER 80 CO 0.07 -0.04 0.41 0.20 1.20 0.00 0.00 173.24 175.07 1pfj s ASN 81 N 1.10 -0.07 0.53 5.45 0.01 -1.26 -4.65 114.94 116.05 1pfj s ASN 81 Ca -0.08 -0.85 0.25 0.00 -0.71 0.00 0.00 52.86 51.47 1pfj s ASN 81 Cb -0.03 0.53 1.47 0.00 0.41 0.00 0.00 41.25 43.63 1pfj s ASN 81 CO -0.11 -1.03 2.12 1.05 -1.51 0.00 0.00 177.10 177.61 1pfj h GLU 82 N 2.35 0.00 0.00 -0.60 4.11 -2.02 -3.29 114.58 115.13 1pfj h GLU 82 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1pfj h GLU 82 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1pfj h GLU 82 CO 0.40 0.09 0.00 0.43 0.07 0.00 0.00 179.01 180.00 1pfj n SER 83 N -3.88 0.00 -1.26 3.06 7.64 -1.26 -4.84 113.62 113.08 1pfj n SER 83 Ca -0.02 -1.00 -0.08 0.00 1.01 0.00 0.00 58.87 58.78 1pfj n SER 83 Cb 0.18 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.51 1pfj n SER 83 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1pfj n THR 84 N 0.00 2.39 -1.58 0.44 -2.24 -1.24 -4.78 114.28 107.26 1pfj n THR 84 Ca 0.00 -3.64 -0.30 0.00 -2.27 0.00 0.00 64.05 57.84 1pfj n THR 84 Cb 0.47 -0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 68.01 1pfj n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pfj n ALA 85 N -0.94 6.48 -2.41 6.98 0.00 -1.25 -4.27 120.51 125.09 1pfj n ALA 85 Ca 0.31 -3.27 0.00 0.00 0.00 0.00 0.00 53.44 50.48 1pfj n ALA 85 Cb 0.83 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 0.63 0.00 -0.46 0.00 0.31 -1.26 -4.96 118.33 112.58 1pfj n VAL 86 Ca 0.50 0.00 0.38 0.00 -0.01 0.00 0.00 64.34 65.21 1pfj n VAL 86 Cb 0.49 0.00 0.68 0.00 -0.91 0.00 0.00 33.84 34.10 1pfj n VAL 86 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1pfj h LYS 87 N 0.00 0.09 0.00 5.55 6.56 -1.93 -1.20 116.57 125.64 1pfj h LYS 87 Ca 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1pfj h LYS 87 Cb 0.00 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 1pfj h LYS 87 CO 0.00 0.06 0.00 -0.85 -2.06 0.00 0.00 179.45 176.60 1pfj n GLU 88 N -4.46 0.00 0.09 3.15 0.00 -1.26 0.15 120.64 118.31 1pfj n GLU 88 Ca 0.35 0.71 -0.02 0.00 0.00 0.00 0.00 57.16 58.20 1pfj n GLU 88 Cb 1.45 -1.12 -0.05 0.00 0.00 0.00 0.00 31.44 31.72 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 0.00 -0.12 3.44 -0.00 -1.77 -2.58 114.38 113.35 1pfj h ARG 89 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.51 1pfj h ARG 89 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 29.97 1pfj h ARG 89 CO 0.00 0.67 0.53 0.22 0.00 0.00 0.00 179.97 181.38 1pfj h ASP 90 N 0.00 0.00 0.05 7.04 3.58 0.17 2.89 116.42 130.15 1pfj h ASP 90 Ca -0.04 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.16 1pfj h ASP 90 Cb 1.60 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.62 1pfj h ASP 90 CO 0.09 0.00 -1.33 0.00 -2.88 0.00 0.00 179.24 175.11 1pfj h ALA 91 N 1.06 0.26 -0.94 -0.78 0.00 0.17 -2.22 119.26 116.81 1pfj h ALA 91 Ca 0.06 -1.17 0.17 0.00 0.00 0.00 0.00 54.91 53.97 1pfj h ALA 91 Cb 1.11 0.63 -0.17 0.00 0.00 0.00 0.00 17.79 19.36 1pfj h ALA 91 CO -0.00 0.79 -0.28 0.28 0.00 0.00 0.00 179.25 180.04 1pfj n VAL 92 N -4.17 -0.43 0.36 0.00 0.31 0.91 0.28 118.33 115.59 1pfj n VAL 92 Ca -0.29 2.17 -0.18 0.00 -0.01 0.00 0.00 64.34 66.03 1pfj n VAL 92 Cb 0.78 -2.95 -0.09 0.00 -0.91 0.00 0.00 33.84 30.67 1pfj n VAL 92 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1pfj h LYS 93 N 0.00 -0.84 -0.83 5.55 3.64 0.12 -0.92 116.57 123.30 1pfj h LYS 93 Ca 0.41 0.06 0.24 0.00 -1.27 0.00 0.00 60.65 60.08 1pfj h LYS 93 Cb 0.64 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1pfj h LYS 93 CO -0.96 -0.55 1.14 -3.47 -2.27 0.00 0.00 179.45 173.35 1pfj n ASP 94 N -5.46 0.00 -0.02 4.20 -0.08 0.82 0.28 116.55 116.29 1pfj n ASP 94 Ca -0.13 0.69 -0.22 0.00 -1.51 0.00 0.00 54.79 53.62 1pfj n ASP 94 Cb 0.36 -0.21 -0.13 0.00 2.34 0.00 0.00 41.12 43.48 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 0.32 -0.90 -2.67 3.38 0.15 -3.30 115.31 112.29 1pfj h LEU 95 Ca 0.39 -0.83 0.09 0.00 0.09 0.00 0.00 57.88 57.63 1pfj h LEU 95 Cb 2.68 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 43.20 1pfj h LEU 95 CO -0.00 1.74 -0.55 -0.07 0.09 0.00 0.00 178.44 179.64 1pfj h LEU 96 N -0.24 -1.99 0.00 1.67 3.38 0.48 2.67 115.31 121.28 1pfj h LEU 96 Ca -0.39 0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pfj h LEU 96 Cb 1.82 0.89 0.00 0.00 0.09 0.00 0.00 40.66 43.46 1pfj h LEU 96 CO 0.01 -0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.28 1pfj n GLN 97 N -5.31 0.47 -0.02 1.13 0.00 -1.04 -1.38 117.38 111.22 1pfj n GLN 97 Ca 0.02 0.03 -0.06 0.00 0.00 0.00 0.00 57.00 57.00 1pfj n GLN 97 Cb 0.30 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 28.91 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 -1.07 0.64 0.00 2.61 7.27 0.87 -4.14 117.38 123.57 1pfj n GLN 98 Ca 0.12 0.18 -0.01 0.00 0.07 0.00 0.00 57.00 57.36 1pfj n GLN 98 Cb 0.08 -1.72 -0.11 0.00 2.41 0.00 0.00 30.24 30.90 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 -2.89 0.62 -0.51 1.69 4.32 0.30 -4.09 117.00 116.44 1pfj n LEU 99 Ca -0.18 0.27 0.41 0.00 -0.02 0.00 0.00 56.01 56.50 1pfj n LEU 99 Cb 1.00 0.14 0.71 0.00 -1.62 0.00 0.00 43.42 43.65 1pfj n LEU 99 CO 0.44 0.20 1.32 0.25 -1.22 0.00 0.00 177.39 178.38 1pfj h LEU 100 N 0.00 0.15 0.00 2.23 6.46 -1.38 3.91 115.31 126.68 1pfj h LEU 100 Ca -0.22 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1pfj h LEU 100 Cb 1.65 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.66 1pfj h LEU 100 CO 0.04 -0.11 0.00 -2.65 -0.62 0.00 0.00 178.44 175.10 1pfj n PRO 101 N -4.43 0.69 -0.08 5.25 -0.02 -1.25 -1.91 135.00 133.24 1pfj n PRO 101 Ca 0.38 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.64 1pfj n PRO 101 Cb 1.58 -1.36 -0.12 0.00 -0.02 0.00 0.00 33.50 33.58 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 0.05 -0.01 -0.52 3.64 0.72 -3.41 116.57 117.05 1pfj h LYS 102 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1pfj h LYS 102 Cb 0.00 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1pfj h LYS 102 CO 0.00 1.04 -0.36 1.97 -2.27 0.00 0.00 179.45 179.84 1pfj n PHE 103 N -4.26 0.00 -3.27 1.91 -1.74 -1.22 -4.86 117.46 104.02 1pfj n PHE 103 Ca -0.32 0.00 -0.05 0.00 -0.56 0.00 0.00 57.45 56.52 1pfj n PHE 103 Cb 0.75 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.70 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 -1.86 0.44 0.00 3.97 2.47 -0.80 -4.94 119.74 119.02 1pfj s LYS 104 Ca 0.11 0.49 0.00 0.00 -1.56 0.00 0.00 55.97 55.02 1pfj s LYS 104 Cb 0.12 -0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.37 1pfj s LYS 104 CO 0.40 -0.83 0.00 2.89 0.16 0.00 0.00 175.35 177.97 1pfj n ARG 105 N 5.38 0.00 0.00 4.03 1.85 -1.26 -3.86 116.66 122.80 1pfj n ARG 105 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1pfj n ARG 105 Cb 0.51 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.92 1pfj n ARG 105 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1pfj n LYS 106 N -0.84 3.26 -4.02 2.89 3.00 -1.26 -5.11 118.16 116.08 1pfj n LYS 106 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.05 1pfj n LYS 106 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 1pfj n LYS 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pfj s ALA 107 N -2.17 3.76 0.00 3.14 0.00 -1.26 -5.18 121.76 120.06 1pfj s ALA 107 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1pfj s ALA 107 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1pfj s ALA 107 CO 0.00 0.50 0.13 0.09 0.00 0.00 0.00 175.76 176.48