#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 -0.39 -1.75 -5.12 0.00 -1.26 -4.78 120.51 107.20 1pfj n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pfj n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.73 0.00 -0.17 0.00 -2.24 -1.26 -5.00 114.28 103.87 1pfj n THR 3 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1pfj n THR 3 Cb 0.00 -0.04 0.08 0.00 -2.10 0.00 0.00 70.33 68.28 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 0.00 -2.20 -0.01 3.42 2.88 -1.26 -4.99 113.62 111.45 1pfj n SER 4 Ca 0.00 -0.24 -0.01 0.00 -1.33 0.00 0.00 58.87 57.29 1pfj n SER 4 Cb 0.00 -0.35 -0.00 0.00 -0.75 0.00 0.00 64.21 63.10 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 -2.26 0.25 -4.72 -3.46 7.64 -1.26 -0.06 113.62 109.75 1pfj n SER 5 Ca 0.04 0.04 -0.32 0.00 1.01 0.00 0.00 58.87 59.65 1pfj n SER 5 Cb 0.17 -0.50 0.12 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.25 1.75 -0.26 1.43 8.01 -1.26 -1.60 118.70 125.52 1pfj s GLU 6 Ca -0.04 1.42 0.03 0.00 0.01 0.00 0.00 54.97 56.39 1pfj s GLU 6 Cb 0.01 -1.82 0.06 0.00 -4.31 0.00 0.00 34.13 28.07 1pfj s GLU 6 CO 0.05 -2.06 -0.10 -1.21 0.01 0.00 0.00 175.26 171.95 1pfj s GLU 7 N -4.62 2.23 0.17 1.61 2.02 -1.26 -4.66 118.70 114.19 1pfj s GLU 7 Ca 0.66 -1.36 0.01 0.00 0.02 0.00 0.00 54.97 54.30 1pfj s GLU 7 Cb -0.21 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 1pfj s GLU 7 CO 0.54 -0.58 0.32 0.14 0.02 0.00 0.00 175.26 175.71 1pfj s VAL 8 N 1.10 5.28 -0.15 2.63 -7.23 -1.26 -3.02 120.40 117.75 1pfj s VAL 8 Ca -0.08 -0.58 0.19 0.00 -1.81 0.00 0.00 61.98 59.69 1pfj s VAL 8 Cb -0.20 -3.74 -0.26 0.00 0.56 0.00 0.00 36.38 32.74 1pfj s VAL 8 CO -0.05 -0.12 0.26 -0.11 -0.31 0.00 0.00 175.10 174.76 1pfj n LEU 9 N -0.60 0.10 -3.58 1.32 7.94 -1.08 -4.78 117.00 116.32 1pfj n LEU 9 Ca -0.06 0.05 -0.05 0.00 -1.11 0.00 0.00 56.01 54.84 1pfj n LEU 9 Cb 0.54 0.33 -0.02 0.00 0.53 0.00 0.00 43.42 44.80 1pfj n LEU 9 CO 0.49 0.34 0.94 -0.22 -1.11 0.00 0.00 177.39 177.83 1pfj s LEU 10 N -5.30 -0.18 -0.02 -1.96 2.96 -1.02 -5.02 118.68 108.15 1pfj s LEU 10 Ca -0.09 -0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 53.81 1pfj s LEU 10 Cb 0.08 1.52 0.02 0.00 0.50 0.00 0.00 46.19 48.32 1pfj s LEU 10 CO 0.85 -0.32 0.03 -0.51 -1.32 0.00 0.00 176.35 175.07 1pfj s ILE 11 N -2.57 -0.04 -0.44 6.68 2.07 -1.26 0.18 121.20 125.82 1pfj s ILE 11 Ca 0.09 0.14 0.01 0.00 -1.41 0.00 0.00 60.65 59.48 1pfj s ILE 11 Cb -0.01 -0.06 0.12 0.00 0.13 0.00 0.00 42.46 42.64 1pfj s ILE 11 CO -0.05 0.06 0.20 0.68 -1.91 0.00 0.00 174.94 173.92 1pfj s VAL 12 N 0.70 2.89 0.62 4.00 -7.23 0.45 -4.91 120.40 116.92 1pfj s VAL 12 Ca -0.06 -2.55 0.22 0.00 -1.81 0.00 0.00 61.98 57.78 1pfj s VAL 12 Cb -0.08 -3.01 0.22 0.00 0.56 0.00 0.00 36.38 34.07 1pfj s VAL 12 CO -0.02 -0.71 1.67 0.11 -0.31 0.00 0.00 175.10 175.83 1pfj h LYS 13 N 7.43 0.00 -4.76 4.82 6.56 -1.92 0.13 116.57 128.84 1pfj h LYS 13 Ca -0.07 0.00 -0.69 0.00 -1.06 0.00 0.00 60.65 58.83 1pfj h LYS 13 Cb 0.99 0.00 -0.31 0.00 -0.57 0.00 0.00 32.23 32.34 1pfj h LYS 13 CO 0.64 0.00 -0.68 0.21 -2.06 0.00 0.00 179.45 177.56 1pfj s LYS 14 N -4.01 2.53 -0.08 3.15 2.47 -1.26 -3.63 119.74 118.90 1pfj s LYS 14 Ca -0.02 -1.21 -0.15 0.00 -1.56 0.00 0.00 55.97 53.03 1pfj s LYS 14 Cb 0.06 -3.25 0.03 0.00 -1.46 0.00 0.00 37.83 33.22 1pfj s LYS 14 CO 0.20 -0.61 0.36 0.08 0.16 0.00 0.00 175.35 175.54 1pfj s VAL 15 N 1.31 0.02 0.02 4.02 1.01 0.12 -4.74 120.40 122.16 1pfj s VAL 15 Ca -0.04 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.80 1pfj s VAL 15 Cb -0.19 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1pfj s VAL 15 CO -0.00 -0.11 -0.19 -0.60 0.00 0.00 0.00 175.10 174.20 1pfj s ARG 16 N -0.51 1.39 -0.01 2.72 3.52 0.32 0.27 118.95 126.65 1pfj s ARG 16 Ca -0.06 -0.80 -0.00 0.00 -0.13 0.00 0.00 55.73 54.73 1pfj s ARG 16 Cb -0.04 -1.42 0.01 0.00 -1.56 0.00 0.00 34.95 31.94 1pfj s ARG 16 CO 0.03 0.37 0.03 1.14 -0.81 0.00 0.00 175.30 176.06 1pfj s GLN 17 N -0.85 0.00 0.51 5.12 -2.07 0.27 0.26 119.66 122.91 1pfj s GLN 17 Ca 0.07 0.09 0.11 0.00 -1.82 0.00 0.00 55.36 53.81 1pfj s GLN 17 Cb -0.08 -0.09 0.38 0.00 -1.09 0.00 0.00 33.01 32.13 1pfj s GLN 17 CO 0.01 -0.07 0.93 1.63 -1.32 0.00 0.00 175.29 176.47 1pfj n LYS 18 N 3.50 0.02 -0.07 9.60 5.02 -1.26 0.11 118.16 135.07 1pfj n LYS 18 Ca -0.18 0.80 -0.11 0.00 -2.02 0.00 0.00 58.31 56.80 1pfj n LYS 18 Cb 0.56 -2.07 -0.09 0.00 -0.02 0.00 0.00 35.03 33.42 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 -3.66 1.97 2.10 -1.93 -3.49 116.57 111.56 1pfj h LYS 19 Ca 0.21 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.79 1pfj h LYS 19 Cb 2.01 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 33.24 1pfj h LYS 19 CO -0.00 0.68 -0.14 -1.14 -2.00 0.00 0.00 179.45 176.85 1pfj s GLN 20 N -2.06 1.46 -0.14 0.07 2.00 0.30 -5.13 119.66 116.15 1pfj s GLN 20 Ca -0.15 -1.19 -0.05 0.00 -2.00 0.00 0.00 55.36 51.97 1pfj s GLN 20 Cb -0.01 0.46 -0.04 0.00 0.80 0.00 0.00 33.01 34.22 1pfj s GLN 20 CO 0.47 -0.60 0.03 -0.51 -0.50 0.00 0.00 175.29 174.18 1pfj s ASP 21 N -2.99 5.38 0.18 6.67 1.11 -1.26 0.95 116.67 126.70 1pfj s ASP 21 Ca 0.20 0.08 -0.23 0.00 0.18 0.00 0.00 52.55 52.78 1pfj s ASP 21 Cb 0.00 -1.78 0.05 0.00 1.07 0.00 0.00 42.92 42.26 1pfj s ASP 21 CO 0.06 0.25 0.76 -0.83 1.18 0.00 0.00 175.17 176.60 1pfj s GLY 22 N -0.12 -0.31 0.02 0.21 0.00 0.78 -4.56 107.32 103.33 1pfj s GLY 22 Ca 0.05 0.17 -0.24 0.00 0.00 0.00 0.00 44.72 44.70 1pfj s GLY 22 CO 0.02 0.05 0.74 0.00 0.00 0.00 0.00 173.10 173.91 1pfj s ALA 23 N -3.63 3.37 -0.06 3.20 0.00 0.29 0.16 121.76 125.09 1pfj s ALA 23 Ca 0.08 0.23 -0.00 0.00 0.00 0.00 0.00 51.96 52.27 1pfj s ALA 23 Cb -0.03 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 1pfj s ALA 23 CO -0.01 0.04 -0.01 -1.17 0.00 0.00 0.00 175.76 174.60 1pfj s LEU 24 N 0.12 3.47 -0.07 0.00 0.20 0.44 0.04 118.68 122.88 1pfj s LEU 24 Ca 0.38 0.06 0.04 0.00 0.69 0.00 0.00 54.13 55.30 1pfj s LEU 24 Cb -0.20 -1.84 -0.02 0.00 -0.43 0.00 0.00 46.19 43.70 1pfj s LEU 24 CO 0.22 0.35 -0.18 -0.31 -0.29 0.00 0.00 176.35 176.13 1pfj s TYR 25 N -0.92 2.62 -0.08 5.38 2.02 0.11 0.17 117.35 126.65 1pfj s TYR 25 Ca 0.15 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1pfj s TYR 25 Cb -0.11 -1.66 -0.03 0.00 -0.40 0.00 0.00 41.96 39.76 1pfj s TYR 25 CO 0.04 -0.06 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.68 1pfj s LEU 26 N -0.26 2.93 -0.01 -1.29 0.20 0.49 -0.65 118.68 120.08 1pfj s LEU 26 Ca 0.01 -0.15 0.02 0.00 0.69 0.00 0.00 54.13 54.70 1pfj s LEU 26 Cb -0.13 -1.63 -0.00 0.00 -0.43 0.00 0.00 46.19 43.99 1pfj s LEU 26 CO 0.03 0.30 -0.07 -0.32 -0.29 0.00 0.00 176.35 176.00 1pfj s MET 27 N -0.46 0.64 0.18 1.98 -2.45 0.16 -2.42 119.30 116.93 1pfj s MET 27 Ca 0.06 -0.25 -0.19 0.00 -1.25 0.00 0.00 55.69 54.06 1pfj s MET 27 Cb -0.12 -0.62 0.12 0.00 1.25 0.00 0.00 34.83 35.46 1pfj s MET 27 CO 0.02 0.14 1.33 0.00 1.05 0.00 0.00 175.02 177.56 1pfj n ALA 28 N 3.01 -0.25 0.63 4.11 0.00 -1.17 -0.28 120.51 126.57 1pfj n ALA 28 Ca -0.14 0.82 0.12 0.00 0.00 0.00 0.00 53.44 54.23 1pfj n ALA 28 Cb 0.57 -0.30 0.22 0.00 0.00 0.00 0.00 19.45 19.94 1pfj n ALA 28 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pfj n GLU 29 N -5.20 0.25 -3.61 0.00 4.07 -1.26 -4.82 120.64 110.07 1pfj n GLU 29 Ca 0.07 0.09 -0.10 0.00 -0.06 0.00 0.00 57.16 57.15 1pfj n GLU 29 Cb 0.31 -1.68 -0.02 0.00 -0.06 0.00 0.00 31.44 29.99 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 -3.14 1.44 -0.20 5.31 3.03 0.61 0.16 118.95 126.17 1pfj s ARG 30 Ca 0.07 -0.70 -0.04 0.00 2.03 0.00 0.00 55.73 57.10 1pfj s ARG 30 Cb 0.14 0.58 -0.02 0.00 -1.03 0.00 0.00 34.95 34.62 1pfj s ARG 30 CO 0.70 -0.64 -0.02 0.42 -1.13 0.00 0.00 175.30 174.63 1pfj s ILE 31 N -3.82 3.73 0.15 4.99 -1.09 -0.09 0.38 121.20 125.45 1pfj s ILE 31 Ca 0.05 -0.39 0.06 0.00 -2.23 0.00 0.00 60.65 58.15 1pfj s ILE 31 Cb -0.02 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.14 1pfj s ILE 31 CO -0.05 0.44 0.03 0.00 -1.23 0.00 0.00 174.94 174.12 1pfj s ALA 32 N 1.02 3.30 0.00 9.38 0.00 0.17 -0.34 121.76 135.30 1pfj s ALA 32 Ca 0.01 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.72 1pfj s ALA 32 Cb -0.14 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 1pfj s ALA 32 CO 0.01 0.53 -0.10 -0.46 0.00 0.00 0.00 175.76 175.74 1pfj s TRP 33 N -1.64 0.92 -0.20 0.00 -0.00 -0.44 0.08 118.94 117.65 1pfj s TRP 33 Ca 0.28 -0.20 -0.05 0.00 -0.00 0.00 0.00 56.10 56.12 1pfj s TRP 33 Cb -0.10 -0.58 0.10 0.00 -0.00 0.00 0.00 33.47 32.89 1pfj s TRP 33 CO 0.20 -0.01 0.39 0.00 -0.00 0.00 0.00 176.95 177.52 1pfj s ALA 34 N -0.36 -1.07 0.79 5.86 0.00 0.11 0.64 121.76 127.72 1pfj s ALA 34 Ca 0.03 1.27 -0.05 0.00 0.00 0.00 0.00 51.96 53.22 1pfj s ALA 34 Cb -0.05 -1.39 0.10 0.00 0.00 0.00 0.00 23.12 21.79 1pfj s ALA 34 CO -0.00 -0.89 0.66 -0.35 0.00 0.00 0.00 175.76 175.18 1pfj n PRO 35 N 5.38 -0.26 -1.66 0.00 -0.04 -1.26 0.10 135.00 137.26 1pfj n PRO 35 Ca -0.07 -1.36 -0.40 0.00 -0.04 0.00 0.00 63.50 61.62 1pfj n PRO 35 Cb 0.50 -0.57 -0.01 0.00 -0.04 0.00 0.00 33.50 33.37 1pfj n PRO 35 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1pfj n GLU 36 N -2.32 3.62 0.00 0.54 4.71 -1.26 -4.67 120.64 121.26 1pfj n GLU 36 Ca 0.09 -2.68 0.00 0.00 -0.01 0.00 0.00 57.16 54.56 1pfj n GLU 36 Cb 0.33 -2.92 0.00 0.00 -1.01 0.00 0.00 31.44 27.85 1pfj n GLU 36 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pfj n GLY 37 N 3.30 1.37 1.50 0.62 0.00 -1.26 -5.10 105.19 105.62 1pfj n GLY 37 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 0.00 -1.48 1.61 5.02 -1.26 -4.89 118.16 117.15 1pfj n LYS 38 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 1pfj n LYS 38 Cb 0.00 -0.25 -0.10 0.00 -0.02 0.00 0.00 35.03 34.66 1pfj n LYS 38 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1pfj n ASP 39 N -2.85 1.88 0.00 4.39 5.75 -1.26 -4.72 116.55 119.73 1pfj n ASP 39 Ca 0.00 -2.57 0.00 0.00 -0.01 0.00 0.00 54.79 52.21 1pfj n ASP 39 Cb 0.22 -1.46 0.00 0.00 -1.03 0.00 0.00 41.12 38.85 1pfj n ASP 39 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pfj n ARG 40 N 8.04 0.00 -4.16 0.11 1.74 -1.26 -3.92 116.66 117.21 1pfj n ARG 40 Ca 0.44 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 57.20 1pfj n ARG 40 Cb 0.45 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.82 1pfj n ARG 40 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1pfj s PHE 41 N -4.21 3.16 0.00 -1.55 0.08 -1.26 -4.52 117.98 109.68 1pfj s PHE 41 Ca 0.00 0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.16 1pfj s PHE 41 Cb 0.00 -1.67 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 1pfj s PHE 41 CO 0.00 0.51 0.00 -2.37 -0.10 0.00 0.00 175.22 173.26 1pfj n THR 42 N 1.05 0.00 -4.02 0.64 5.66 0.21 -4.94 114.28 112.87 1pfj n THR 42 Ca -0.12 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.75 1pfj n THR 42 Cb 0.52 -1.14 -0.03 0.00 -1.55 0.00 0.00 70.33 68.14 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 -2.00 0.00 -0.30 1.09 -5.25 -0.67 -4.90 121.20 109.18 1pfj s ILE 43 Ca 0.00 -1.46 -0.11 0.00 -0.99 0.00 0.00 60.65 58.08 1pfj s ILE 43 Cb 0.00 -2.63 0.18 0.00 2.95 0.00 0.00 42.46 42.96 1pfj s ILE 43 CO 0.00 0.00 0.96 -0.94 -1.79 0.00 0.00 174.94 173.17 1pfj s SER 44 N -3.18 -0.65 -0.16 4.36 1.04 -1.23 -1.33 113.70 112.55 1pfj s SER 44 Ca 0.27 0.52 -0.04 0.00 0.48 0.00 0.00 55.95 57.18 1pfj s SER 44 Cb -0.01 1.59 -0.03 0.00 0.10 0.00 0.00 66.02 67.67 1pfj s SER 44 CO 0.17 -0.12 -0.03 -1.00 0.98 0.00 0.00 173.24 173.23 1pfj s HIS 45 N 2.81 3.02 -0.46 5.02 0.09 0.54 -4.84 115.29 121.47 1pfj s HIS 45 Ca 0.02 -0.33 -0.28 0.00 -0.00 0.00 0.00 55.06 54.47 1pfj s HIS 45 Cb -0.10 -1.97 0.01 0.00 -0.00 0.00 0.00 32.58 30.51 1pfj s HIS 45 CO -0.14 -0.07 1.50 -1.64 -0.00 0.00 0.00 174.74 174.38 1pfj s MET 46 N 0.45 3.39 0.25 1.40 -1.94 -1.26 -0.91 119.30 120.69 1pfj s MET 46 Ca -0.03 0.83 0.19 0.00 -1.71 0.00 0.00 55.69 54.97 1pfj s MET 46 Cb -0.14 -4.10 0.85 0.00 2.01 0.00 0.00 34.83 33.44 1pfj s MET 46 CO 0.03 -1.80 0.87 0.66 -0.01 0.00 0.00 175.02 174.77 1pfj n TYR 47 N 9.52 0.35 -0.07 -0.03 4.02 0.43 0.29 117.16 131.66 1pfj n TYR 47 Ca 0.16 0.35 -0.12 0.00 -0.01 0.00 0.00 57.90 58.28 1pfj n TYR 47 Cb 0.48 -0.72 -0.05 0.00 -0.02 0.00 0.00 39.34 39.04 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 0.85 0.30 0.00 -0.72 0.00 -1.89 -0.84 119.26 116.96 1pfj h ALA 48 Ca 0.50 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1pfj h ALA 48 Cb 1.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1pfj h ALA 48 CO -0.23 0.08 0.00 -0.25 0.00 0.00 0.00 179.25 178.84 1pfj n ASP 49 N -4.61 0.00 -4.02 0.00 9.92 0.85 -4.28 116.55 114.40 1pfj n ASP 49 Ca -0.04 0.15 -0.31 0.00 -0.53 0.00 0.00 54.79 54.06 1pfj n ASP 49 Cb 0.28 -0.28 -0.16 0.00 -0.64 0.00 0.00 41.12 40.32 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 -2.56 1.78 -0.25 0.53 1.01 -0.32 -3.17 121.20 118.21 1pfj s ILE 50 Ca 0.09 -1.10 -0.04 0.00 0.00 0.00 0.00 60.65 59.60 1pfj s ILE 50 Cb 0.06 -1.82 0.10 0.00 0.01 0.00 0.00 42.46 40.80 1pfj s ILE 50 CO 0.14 0.18 0.16 -0.75 0.00 0.00 0.00 174.94 174.67 1pfj s LYS 51 N 1.34 0.18 0.00 2.79 2.36 0.54 -4.74 119.74 122.21 1pfj s LYS 51 Ca -0.02 -0.27 0.00 0.00 -2.55 0.00 0.00 55.97 53.13 1pfj s LYS 51 Cb -0.16 -1.24 0.00 0.00 -1.05 0.00 0.00 37.83 35.38 1pfj s LYS 51 CO -0.08 -0.90 0.00 0.00 1.55 0.00 0.00 175.35 175.92 1pfj s GLN 53 N -0.87 0.03 0.03 0.00 1.11 -1.26 -1.63 119.66 117.08 1pfj s GLN 53 Ca 0.00 0.54 0.07 0.00 0.01 0.00 0.00 55.36 55.98 1pfj s GLN 53 Cb 0.00 -0.27 -0.02 0.00 -1.01 0.00 0.00 33.01 31.70 1pfj s GLN 53 CO 0.00 -0.29 -0.21 0.21 0.01 0.00 0.00 175.29 175.01 1pfj s LYS 54 N 2.18 1.45 -0.42 2.91 2.47 -0.56 -5.03 119.74 122.74 1pfj s LYS 54 Ca 0.02 -0.88 -0.07 0.00 -1.56 0.00 0.00 55.97 53.48 1pfj s LYS 54 Cb -0.12 -1.52 0.09 0.00 -1.46 0.00 0.00 37.83 34.83 1pfj s LYS 54 CO -0.06 0.39 0.24 0.96 0.16 0.00 0.00 175.35 177.05 1pfj s ILE 55 N -0.72 3.82 -0.90 5.43 -5.25 -1.26 -3.04 121.20 119.28 1pfj s ILE 55 Ca 0.07 -1.69 0.21 0.00 -0.99 0.00 0.00 60.65 58.26 1pfj s ILE 55 Cb -0.09 -3.45 -0.24 0.00 2.95 0.00 0.00 42.46 41.64 1pfj s ILE 55 CO 0.01 -0.59 0.86 -1.20 -1.79 0.00 0.00 174.94 172.23 1pfj n SER 56 N 4.79 0.89 -2.24 4.36 7.64 -1.26 -4.42 113.62 123.38 1pfj n SER 56 Ca -0.07 -0.89 -0.21 0.00 1.01 0.00 0.00 58.87 58.70 1pfj n SER 56 Cb 0.42 1.10 -0.05 0.00 -1.01 0.00 0.00 64.21 64.67 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 -1.58 2.15 -0.07 1.43 -0.04 -1.21 -3.96 135.00 131.72 1pfj n PRO 57 Ca 0.03 -1.86 -0.12 0.00 -0.04 0.00 0.00 63.50 61.51 1pfj n PRO 57 Cb 0.36 -1.97 -0.15 0.00 -0.04 0.00 0.00 33.50 31.70 1pfj n PRO 57 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1pfj n GLU 58 N 1.06 0.67 -2.20 0.54 0.00 -1.26 -4.46 120.64 115.00 1pfj n GLU 58 Ca 0.42 0.12 -0.05 0.00 0.00 0.00 0.00 57.16 57.65 1pfj n GLU 58 Cb 0.62 -1.61 0.05 0.00 0.00 0.00 0.00 31.44 30.50 1pfj n GLU 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pfj n GLY 59 N 1.81 3.14 0.00 8.31 0.00 -1.25 -5.04 105.19 112.15 1pfj n GLY 59 Ca -0.31 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.49 2.43 0.00 1.61 4.76 -1.26 -5.03 118.16 120.18 1pfj n LYS 60 Ca 0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1pfj n LYS 60 Cb 0.89 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.08 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 0.80 -2.00 7.82 0.00 -1.26 -5.05 120.51 117.82 1pfj n ALA 61 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1pfj n ALA 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.07 0.00 -3.00 0.00 -0.00 -1.26 -4.99 118.16 108.84 1pfj n LYS 62 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1pfj n LYS 62 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.15 1pfj n LYS 62 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1pfj s ILE 63 N 2.05 -0.84 -0.15 0.58 -0.00 -1.25 -4.90 121.20 116.69 1pfj s ILE 63 Ca 0.00 -0.83 -0.04 0.00 -0.00 0.00 0.00 60.65 59.78 1pfj s ILE 63 Cb 0.00 -0.16 -0.03 0.00 -0.00 0.00 0.00 42.46 42.27 1pfj s ILE 63 CO 0.00 -0.15 -0.03 0.00 -0.00 0.00 0.00 174.94 174.76 1pfj s GLN 64 N 1.14 3.59 0.43 0.37 -2.07 -1.26 -3.45 119.66 118.42 1pfj s GLN 64 Ca 0.25 -0.50 0.07 0.00 -1.82 0.00 0.00 55.36 53.36 1pfj s GLN 64 Cb -0.02 -2.91 -0.02 0.00 -1.09 0.00 0.00 33.01 28.97 1pfj s GLN 64 CO -0.07 0.31 0.33 -0.48 -1.32 0.00 0.00 175.29 174.07 1pfj s LEU 65 N 0.19 3.23 -0.05 2.60 -0.00 0.29 -3.28 118.68 121.65 1pfj s LEU 65 Ca -0.01 -0.90 0.00 0.00 -0.00 0.00 0.00 54.13 53.22 1pfj s LEU 65 Cb -0.14 -1.78 0.02 0.00 -0.00 0.00 0.00 46.19 44.30 1pfj s LEU 65 CO 0.03 -0.69 -0.02 -1.10 -0.00 0.00 0.00 176.35 174.57 1pfj s GLN 66 N -4.10 0.63 -0.04 1.48 -0.21 -1.17 -1.14 119.66 115.10 1pfj s GLN 66 Ca 0.45 0.00 0.03 0.00 0.02 0.00 0.00 55.36 55.86 1pfj s GLN 66 Cb -0.01 -0.77 0.01 0.00 1.00 0.00 0.00 33.01 33.23 1pfj s GLN 66 CO 0.26 -0.15 -0.12 -1.17 -2.12 0.00 0.00 175.29 171.98 1pfj s LEU 67 N 1.22 1.76 0.22 2.90 2.96 0.15 -1.50 118.68 126.38 1pfj s LEU 67 Ca -0.07 -0.26 0.08 0.00 -0.22 0.00 0.00 54.13 53.67 1pfj s LEU 67 Cb -0.14 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 1pfj s LEU 67 CO -0.02 0.07 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.40 1pfj s VAL 68 N 0.32 3.58 0.31 1.68 1.01 -0.64 0.30 120.40 126.96 1pfj s VAL 68 Ca -0.07 -1.66 -0.20 0.00 0.00 0.00 0.00 61.98 60.06 1pfj s VAL 68 Cb -0.12 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 1pfj s VAL 68 CO 0.02 -0.24 0.81 -0.76 0.00 0.00 0.00 175.10 174.93 1pfj s LEU 69 N -3.29 4.18 0.47 3.92 2.01 0.47 0.20 118.68 126.64 1pfj s LEU 69 Ca 0.29 1.51 0.27 0.00 0.01 0.00 0.00 54.13 56.20 1pfj s LEU 69 Cb -0.08 -4.00 1.31 0.00 0.01 0.00 0.00 46.19 43.44 1pfj s LEU 69 CO 0.19 -0.13 1.80 1.12 1.01 0.00 0.00 176.35 180.34 1pfj h HIS 70 N 2.73 0.33 -0.21 0.29 2.07 -1.75 -3.37 115.15 115.23 1pfj h HIS 70 Ca -0.48 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 1pfj h HIS 70 Cb 1.18 -0.10 0.00 0.00 2.57 0.00 0.00 27.41 31.07 1pfj h HIS 70 CO 0.62 0.03 0.00 0.00 -3.07 0.00 0.00 177.93 175.52 1pfj n ALA 71 N -2.61 0.00 -2.37 6.11 0.00 -1.26 -4.90 120.51 115.47 1pfj n ALA 71 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.34 1pfj n ALA 71 Cb 1.01 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.47 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 3.50 5.80 3.14 0.00 0.00 -1.26 -4.96 105.19 111.42 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 -2.22 1.88 0.26 1.61 1.11 -1.26 -4.98 116.67 113.06 1pfj s ASP 73 Ca 0.48 -0.29 0.08 0.00 0.18 0.00 0.00 52.55 53.00 1pfj s ASP 73 Cb 0.36 -0.22 -0.04 0.00 1.07 0.00 0.00 42.92 44.09 1pfj s ASP 73 CO -0.26 0.20 0.12 -0.89 1.18 0.00 0.00 175.17 175.52 1pfj s THR 74 N -0.37 4.02 -0.26 -1.27 2.01 -1.26 0.18 115.64 118.70 1pfj s THR 74 Ca 0.06 -1.61 -0.02 0.00 0.31 0.00 0.00 61.69 60.43 1pfj s THR 74 Cb -0.06 -3.17 0.08 0.00 0.01 0.00 0.00 72.50 69.36 1pfj s THR 74 CO -0.01 -0.36 0.07 -0.89 -0.69 0.00 0.00 174.62 172.75 1pfj s THR 75 N -2.22 0.64 0.03 -0.82 2.01 0.88 -4.85 115.64 111.32 1pfj s THR 75 Ca 0.32 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.38 1pfj s THR 75 Cb -0.07 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1pfj s THR 75 CO 0.23 -0.47 -0.04 0.20 -0.69 0.00 0.00 174.62 173.85 1pfj s ASN 76 N 1.76 4.83 -0.13 3.53 0.02 -1.26 0.29 114.94 123.99 1pfj s ASN 76 Ca 0.05 -0.14 -0.14 0.00 -1.02 0.00 0.00 52.86 51.61 1pfj s ASN 76 Cb -0.17 -1.15 0.04 0.00 0.02 0.00 0.00 41.25 39.98 1pfj s ASN 76 CO -0.19 0.24 0.38 -0.36 0.02 0.00 0.00 177.10 177.20 1pfj s PHE 77 N -1.12 -0.41 0.23 2.20 0.08 -0.30 -4.77 117.98 113.90 1pfj s PHE 77 Ca 0.20 0.97 0.04 0.00 0.12 0.00 0.00 56.93 58.26 1pfj s PHE 77 Cb -0.11 0.14 -0.05 0.00 -0.57 0.00 0.00 43.02 42.43 1pfj s PHE 77 CO 0.12 -0.23 -0.02 -1.58 -0.10 0.00 0.00 175.22 173.41 1pfj s HIS 78 N 0.04 1.60 -0.15 0.36 5.65 0.74 0.10 115.29 123.63 1pfj s HIS 78 Ca -0.01 -0.89 -0.07 0.00 0.25 0.00 0.00 55.06 54.34 1pfj s HIS 78 Cb -0.03 -0.92 0.06 0.00 -1.18 0.00 0.00 32.58 30.51 1pfj s HIS 78 CO 0.01 0.01 0.34 -0.06 -0.65 0.00 0.00 174.74 174.39 1pfj s PHE 79 N -3.36 -0.52 -0.32 3.88 0.40 -1.22 0.12 117.98 116.95 1pfj s PHE 79 Ca 0.28 1.12 0.04 0.00 -0.60 0.00 0.00 56.93 57.78 1pfj s PHE 79 Cb 0.05 0.16 0.33 0.00 0.51 0.00 0.00 43.02 44.07 1pfj s PHE 79 CO 0.09 -0.33 1.42 0.45 0.70 0.00 0.00 175.22 177.54 1pfj n SER 80 N 4.61 -1.15 0.00 1.36 2.88 -1.26 -3.88 113.62 116.19 1pfj n SER 80 Ca -0.19 -1.74 0.00 0.00 -1.33 0.00 0.00 58.87 55.61 1pfj n SER 80 Cb 0.53 1.10 0.00 0.00 -0.75 0.00 0.00 64.21 65.09 1pfj n SER 80 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1pfj n ASN 81 N 0.48 0.00 0.00 -3.46 5.03 -1.26 -4.69 115.26 111.36 1pfj n ASN 81 Ca -0.07 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.38 1pfj n ASN 81 Cb 0.76 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.52 1pfj n ASN 81 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1pfj n GLU 82 N 0.00 0.00 -2.69 3.52 4.71 -1.26 -4.24 120.64 120.69 1pfj n GLU 82 Ca 0.00 0.32 -0.11 0.00 -0.01 0.00 0.00 57.16 57.36 1pfj n GLU 82 Cb 0.00 -1.02 0.02 0.00 -1.01 0.00 0.00 31.44 29.43 1pfj n GLU 82 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1pfj n SER 83 N -0.89 1.61 0.09 1.62 7.64 -1.26 -4.88 113.62 117.56 1pfj n SER 83 Ca 0.00 -2.80 0.05 0.00 1.01 0.00 0.00 58.87 57.14 1pfj n SER 83 Cb 0.00 -0.53 -0.02 0.00 -1.01 0.00 0.00 64.21 62.65 1pfj n SER 83 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1pfj h THR 84 N 2.84 0.32 -0.08 0.44 1.35 -1.84 -3.42 112.91 112.53 1pfj h THR 84 Ca -0.06 -1.57 -0.02 0.00 -0.55 0.00 0.00 66.41 64.21 1pfj h THR 84 Cb 1.15 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1pfj h THR 84 CO 0.52 0.18 0.04 0.00 -0.25 0.00 0.00 175.52 176.01 1pfj n ALA 85 N -2.27 0.20 -2.76 6.62 0.00 -1.26 -4.07 120.51 116.96 1pfj n ALA 85 Ca -0.04 -2.24 0.00 0.00 0.00 0.00 0.00 53.44 51.17 1pfj n ALA 85 Cb 0.69 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.80 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 9.06 0.00 -0.33 0.00 0.31 -1.26 -4.79 118.33 121.32 1pfj n VAL 86 Ca 0.41 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.93 1pfj n VAL 86 Cb 0.47 0.00 0.41 0.00 -0.91 0.00 0.00 33.84 33.80 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 0.37 0.00 5.55 1.57 -1.95 1.69 116.57 123.80 1pfj h LYS 87 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1pfj h LYS 87 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1pfj h LYS 87 CO 0.00 0.25 0.00 -0.85 -0.57 0.00 0.00 179.45 178.28 1pfj n GLU 88 N -5.03 0.00 0.31 3.15 0.00 -1.26 0.72 120.64 118.53 1pfj n GLU 88 Ca 0.28 0.51 -0.16 0.00 0.00 0.00 0.00 57.16 57.78 1pfj n GLU 88 Cb 0.84 -1.32 -0.08 0.00 0.00 0.00 0.00 31.44 30.88 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 -0.75 -0.79 3.44 2.47 -1.58 -1.68 114.38 115.50 1pfj h ARG 89 Ca 0.00 0.05 0.19 0.00 -1.26 0.00 0.00 59.98 58.96 1pfj h ARG 89 Cb 0.00 0.17 -0.15 0.00 -1.65 0.00 0.00 29.97 28.34 1pfj h ARG 89 CO 0.00 -0.46 -0.08 -3.47 0.56 0.00 0.00 179.97 176.52 1pfj n ASP 90 N -5.39 -0.18 0.21 7.04 -0.08 0.57 0.25 116.55 118.98 1pfj n ASP 90 Ca -0.12 1.35 -0.15 0.00 -1.51 0.00 0.00 54.79 54.36 1pfj n ASP 90 Cb 0.33 -0.45 -0.08 0.00 2.34 0.00 0.00 41.12 43.26 1pfj n ASP 90 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pfj h ALA 91 N 1.58 -0.50 -0.92 -1.67 0.00 0.78 0.31 119.26 118.86 1pfj h ALA 91 Ca 0.43 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.30 1pfj h ALA 91 Cb 0.80 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 18.67 1pfj h ALA 91 CO -0.78 -0.73 -0.50 0.28 0.00 0.00 0.00 179.25 177.52 1pfj n VAL 92 N -5.26 -0.59 0.13 0.00 0.31 0.69 0.17 118.33 113.78 1pfj n VAL 92 Ca -0.11 2.20 -0.13 0.00 -0.01 0.00 0.00 64.34 66.29 1pfj n VAL 92 Cb 0.24 -2.76 -0.07 0.00 -0.91 0.00 0.00 33.84 30.34 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 -0.28 0.00 5.55 3.64 -1.08 0.52 116.57 124.91 1pfj h LYS 93 Ca 0.18 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1pfj h LYS 93 Cb 0.41 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1pfj h LYS 93 CO -0.87 -0.19 0.61 0.22 -2.27 0.00 0.00 179.45 176.95 1pfj h ASP 94 N -0.29 0.00 0.07 4.20 1.82 0.57 1.09 116.42 123.87 1pfj h ASP 94 Ca -0.01 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.34 1pfj h ASP 94 Cb 0.25 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.24 1pfj h ASP 94 CO 0.00 0.00 -1.52 -0.07 -1.61 0.00 0.00 179.24 176.04 1pfj h LEU 95 N 0.00 0.22 -0.84 2.28 3.38 0.30 -3.23 115.31 117.42 1pfj h LEU 95 Ca 0.00 -0.74 0.08 0.00 0.09 0.00 0.00 57.88 57.31 1pfj h LEU 95 Cb 1.23 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 1pfj h LEU 95 CO 0.00 1.64 -0.52 -0.07 0.09 0.00 0.00 178.44 179.58 1pfj h LEU 96 N -0.49 -1.90 0.00 1.67 3.38 0.24 2.96 115.31 121.16 1pfj h LEU 96 Ca -0.36 0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1pfj h LEU 96 Cb 1.64 0.84 0.00 0.00 0.09 0.00 0.00 40.66 43.23 1pfj h LEU 96 CO -0.05 -0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.26 1pfj n GLN 97 N -5.01 0.51 -0.02 1.13 3.00 -0.90 -1.43 117.38 114.66 1pfj n GLN 97 Ca 0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.96 1pfj n GLN 97 Cb 0.24 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 28.85 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 -1.01 0.64 0.03 -1.09 7.27 0.96 -4.03 117.38 120.16 1pfj n GLN 98 Ca 0.12 0.16 0.04 0.00 0.07 0.00 0.00 57.00 57.40 1pfj n GLN 98 Cb 0.06 -1.72 -0.08 0.00 2.41 0.00 0.00 30.24 30.91 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 -2.86 0.66 -0.40 1.69 4.32 0.50 -4.00 117.00 116.90 1pfj n LEU 99 Ca -0.17 0.28 0.34 0.00 -0.02 0.00 0.00 56.01 56.44 1pfj n LEU 99 Cb 0.97 0.06 0.65 0.00 -1.62 0.00 0.00 43.42 43.48 1pfj n LEU 99 CO 0.44 0.06 1.28 0.25 -1.22 0.00 0.00 177.39 178.20 1pfj h LEU 100 N 0.00 0.22 0.00 2.23 7.12 -1.38 2.70 115.31 126.19 1pfj h LEU 100 Ca -0.13 0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.95 1pfj h LEU 100 Cb 1.40 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.57 1pfj h LEU 100 CO 0.03 -0.03 0.00 -2.65 -0.13 0.00 0.00 178.44 175.65 1pfj n PRO 101 N -4.46 0.38 -0.02 5.25 -0.02 -1.26 -2.46 135.00 132.41 1pfj n PRO 101 Ca 0.31 0.04 -0.21 0.00 -2.02 0.00 0.00 63.50 61.62 1pfj n PRO 101 Cb 1.27 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 33.12 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 0.19 -0.02 -0.52 3.64 0.45 -3.39 116.57 116.92 1pfj h LYS 102 Ca 0.00 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1pfj h LYS 102 Cb 0.03 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1pfj h LYS 102 CO 0.00 1.16 -0.07 1.97 -2.27 0.00 0.00 179.45 180.24 1pfj n PHE 103 N -3.93 0.00 -0.54 1.91 -1.74 -1.20 -4.94 117.46 107.02 1pfj n PHE 103 Ca -0.28 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.61 1pfj n PHE 103 Cb 0.89 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.89 1pfj n PHE 103 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 1pfj n LYS 104 N 0.80 3.16 -3.77 3.97 3.00 -1.03 -4.93 118.16 119.36 1pfj n LYS 104 Ca 0.10 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.12 1pfj n LYS 104 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.31 1pfj n LYS 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1pfj s ARG 105 N 1.72 0.86 0.00 1.64 3.52 -1.26 -5.02 118.95 120.40 1pfj s ARG 105 Ca 0.00 -0.88 0.00 0.00 -0.13 0.00 0.00 55.73 54.72 1pfj s ARG 105 Cb 0.00 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.24 1pfj s ARG 105 CO 0.00 -0.82 0.00 1.63 -0.81 0.00 0.00 175.30 175.30 1pfj n LYS 106 N 4.87 0.00 0.02 5.12 5.02 -1.26 -4.90 118.16 127.03 1pfj n LYS 106 Ca -0.06 0.43 -0.01 0.00 -2.02 0.00 0.00 58.31 56.66 1pfj n LYS 106 Cb 0.44 -0.93 -0.00 0.00 -0.02 0.00 0.00 35.03 34.52 1pfj n LYS 106 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pfj n ALA 107 N -1.83 2.89 0.75 7.82 0.00 -1.26 -5.26 120.51 123.62 1pfj n ALA 107 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.48 1pfj n ALA 107 Cb 0.00 0.34 0.08 0.00 0.00 0.00 0.00 19.45 19.86 1pfj n ALA 107 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59