#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 -0.30 -2.00 -5.12 0.00 -1.26 -4.85 120.51 106.98 1pfj n ALA 2 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1pfj n ALA 2 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.33 1pfj n ALA 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1pfj n THR 3 N 5.29 0.00 -0.31 0.00 5.66 -1.26 -4.79 114.28 118.87 1pfj n THR 3 Ca 0.38 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.28 1pfj n THR 3 Cb 0.03 -0.35 -0.07 0.00 -1.55 0.00 0.00 70.33 68.39 1pfj n THR 3 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1pfj h SER 4 N 0.00 -1.88 -2.53 1.09 4.64 -2.08 -3.40 113.55 109.38 1pfj h SER 4 Ca 0.00 0.29 -0.14 0.00 -0.47 0.00 0.00 61.79 61.47 1pfj h SER 4 Cb 0.00 0.84 0.06 0.00 -0.31 0.00 0.00 62.40 62.99 1pfj h SER 4 CO 0.00 -0.30 0.12 -1.20 -0.87 0.00 0.00 176.83 174.59 1pfj n SER 5 N -5.34 -0.24 -4.61 4.97 7.64 -1.26 -5.08 113.62 109.70 1pfj n SER 5 Ca 0.02 -1.08 -0.24 0.00 1.01 0.00 0.00 58.87 58.58 1pfj n SER 5 Cb 0.31 -0.35 -0.08 0.00 -1.01 0.00 0.00 64.21 63.08 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 -3.97 2.07 1.04 1.43 8.01 -1.26 -4.88 118.70 121.15 1pfj s GLU 6 Ca 0.25 -1.68 -0.11 0.00 0.01 0.00 0.00 54.97 53.44 1pfj s GLU 6 Cb -0.01 -1.95 0.22 0.00 -4.31 0.00 0.00 34.13 28.07 1pfj s GLU 6 CO 0.18 0.21 1.08 -1.21 0.01 0.00 0.00 175.26 175.53 1pfj s GLU 7 N -3.68 0.01 0.19 1.61 2.02 -1.26 -4.82 118.70 112.76 1pfj s GLU 7 Ca 0.33 1.19 0.01 0.00 0.02 0.00 0.00 54.97 56.52 1pfj s GLU 7 Cb -0.02 -1.64 -0.04 0.00 0.10 0.00 0.00 34.13 32.53 1pfj s GLU 7 CO 0.19 -3.21 0.35 0.54 0.02 0.00 0.00 175.26 173.16 1pfj s VAL 8 N -2.55 5.25 -0.22 2.63 0.11 -1.26 -3.16 120.40 121.20 1pfj s VAL 8 Ca 0.68 -0.50 -0.16 0.00 -2.93 0.00 0.00 61.98 59.07 1pfj s VAL 8 Cb -0.24 -3.74 -0.09 0.00 -1.53 0.00 0.00 36.38 30.78 1pfj s VAL 8 CO 0.61 -0.15 -0.32 -0.11 -3.33 0.00 0.00 175.10 171.80 1pfj n LEU 9 N -0.66 1.94 -3.54 2.54 7.94 -0.87 -4.72 117.00 119.64 1pfj n LEU 9 Ca -0.06 0.35 -0.18 0.00 -1.11 0.00 0.00 56.01 55.02 1pfj n LEU 9 Cb 0.54 -0.79 -0.06 0.00 0.53 0.00 0.00 43.42 43.64 1pfj n LEU 9 CO 0.48 0.10 0.40 -0.22 -1.11 0.00 0.00 177.39 177.05 1pfj s LEU 10 N -7.76 -0.52 -0.10 -1.96 2.96 -0.76 -5.01 118.68 105.53 1pfj s LEU 10 Ca -0.32 0.66 0.04 0.00 -0.22 0.00 0.00 54.13 54.29 1pfj s LEU 10 Cb 0.09 2.42 0.00 0.00 0.50 0.00 0.00 46.19 49.20 1pfj s LEU 10 CO 0.45 -0.60 -0.22 -0.51 -1.32 0.00 0.00 176.35 174.15 1pfj s ILE 11 N -1.20 1.92 -0.06 6.68 -1.16 -1.26 0.76 121.20 126.88 1pfj s ILE 11 Ca -0.11 -0.93 0.03 0.00 -0.51 0.00 0.00 60.65 59.12 1pfj s ILE 11 Cb -0.00 -1.67 0.01 0.00 0.61 0.00 0.00 42.46 41.41 1pfj s ILE 11 CO 0.09 0.53 -0.14 0.68 -2.81 0.00 0.00 174.94 173.29 1pfj s VAL 12 N 0.40 1.28 0.00 4.00 -7.23 0.23 -4.99 120.40 114.09 1pfj s VAL 12 Ca -0.18 -0.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 1pfj s VAL 12 Cb -0.18 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.63 1pfj s VAL 12 CO 0.08 0.38 0.00 1.17 -0.31 0.00 0.00 175.10 176.42 1pfj n LYS 13 N 3.55 0.00 -1.56 4.82 0.00 -1.26 0.67 118.16 124.38 1pfj n LYS 13 Ca -0.21 0.00 -0.53 0.00 0.00 0.00 0.00 58.31 57.57 1pfj n LYS 13 Cb 0.52 -0.42 -0.07 0.00 0.00 0.00 0.00 35.03 35.06 1pfj n LYS 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1pfj n LYS 14 N -0.47 1.20 -3.88 1.64 4.01 -1.26 -2.67 118.16 116.72 1pfj n LYS 14 Ca 0.00 0.39 -0.11 0.00 -0.51 0.00 0.00 58.31 58.08 1pfj n LYS 14 Cb 0.00 -2.31 -0.11 0.00 -0.51 0.00 0.00 35.03 32.10 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 5.45 0.05 -0.08 -0.18 1.01 0.95 -4.73 120.40 122.88 1pfj s VAL 15 Ca 1.04 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.60 1pfj s VAL 15 Cb -0.95 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 35.16 1pfj s VAL 15 CO 0.56 -0.25 -0.19 -0.60 0.00 0.00 0.00 175.10 174.63 1pfj s ARG 16 N -0.80 2.36 -0.02 2.72 3.52 0.72 0.14 118.95 127.59 1pfj s ARG 16 Ca -0.09 -0.67 0.01 0.00 -0.13 0.00 0.00 55.73 54.86 1pfj s ARG 16 Cb -0.05 -1.86 0.01 0.00 -1.56 0.00 0.00 34.95 31.49 1pfj s ARG 16 CO 0.00 0.13 -0.03 1.14 -0.81 0.00 0.00 175.30 175.74 1pfj s GLN 17 N 0.42 0.37 0.52 5.12 -2.07 0.85 0.13 119.66 125.00 1pfj s GLN 17 Ca -0.15 -0.07 0.05 0.00 -1.82 0.00 0.00 55.36 53.37 1pfj s GLN 17 Cb -0.16 -0.42 0.17 0.00 -1.09 0.00 0.00 33.01 31.51 1pfj s GLN 17 CO 0.06 -0.00 0.86 1.63 -1.32 0.00 0.00 175.29 176.52 1pfj n LYS 18 N 3.46 0.02 -0.07 9.60 5.02 -1.26 0.56 118.16 135.49 1pfj n LYS 18 Ca -0.19 0.78 -0.09 0.00 -2.02 0.00 0.00 58.31 56.80 1pfj n LYS 18 Cb 0.55 -2.07 -0.06 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 -3.67 1.97 2.10 -1.93 -3.49 116.57 111.55 1pfj h LYS 19 Ca 0.09 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.68 1pfj h LYS 19 Cb 1.79 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 33.03 1pfj h LYS 19 CO -0.00 0.49 -0.14 -0.65 -2.00 0.00 0.00 179.45 177.15 1pfj s GLN 20 N -2.02 1.48 -0.19 0.07 -1.52 0.19 -5.12 119.66 112.54 1pfj s GLN 20 Ca -0.14 -1.21 -0.06 0.00 -1.95 0.00 0.00 55.36 52.00 1pfj s GLN 20 Cb 0.00 0.46 -0.03 0.00 -0.22 0.00 0.00 33.01 33.22 1pfj s GLN 20 CO 0.36 -0.60 0.03 -0.51 -0.25 0.00 0.00 175.29 174.32 1pfj s ASP 21 N -3.00 5.26 0.20 5.90 1.01 -1.26 -0.11 116.67 124.67 1pfj s ASP 21 Ca 0.21 -0.05 -0.23 0.00 0.71 0.00 0.00 52.55 53.19 1pfj s ASP 21 Cb -0.00 -1.90 0.05 0.00 1.01 0.00 0.00 42.92 42.08 1pfj s ASP 21 CO 0.07 0.13 0.76 -0.83 0.21 0.00 0.00 175.17 175.50 1pfj s GLY 22 N 0.64 -0.28 0.44 0.21 0.00 0.38 -4.90 107.32 103.81 1pfj s GLY 22 Ca 0.01 0.09 -0.11 0.00 0.00 0.00 0.00 44.72 44.71 1pfj s GLY 22 CO 0.02 0.03 0.83 0.00 0.00 0.00 0.00 173.10 173.97 1pfj s ALA 23 N -3.67 3.28 -0.17 3.20 0.00 0.11 -0.03 121.76 124.47 1pfj s ALA 23 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1pfj s ALA 23 Cb -0.03 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.29 1pfj s ALA 23 CO -0.00 -0.11 -0.17 -0.51 0.00 0.00 0.00 175.76 174.96 1pfj s LEU 24 N -4.02 2.31 -0.19 0.00 1.43 0.21 0.18 118.68 118.60 1pfj s LEU 24 Ca 0.53 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1pfj s LEU 24 Cb -0.10 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 1pfj s LEU 24 CO 0.33 0.03 -0.03 -0.31 0.23 0.00 0.00 176.35 176.60 1pfj s TYR 25 N 1.14 2.99 -0.10 0.29 2.02 0.30 0.76 117.35 124.74 1pfj s TYR 25 Ca 0.01 -0.59 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 1pfj s TYR 25 Cb -0.14 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.35 1pfj s TYR 25 CO -0.07 -0.29 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.34 1pfj s LEU 26 N 0.96 2.88 0.15 -1.29 0.20 0.23 0.19 118.68 122.01 1pfj s LEU 26 Ca 0.00 -0.21 0.06 0.00 0.69 0.00 0.00 54.13 54.68 1pfj s LEU 26 Cb -0.15 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 43.94 1pfj s LEU 26 CO 0.01 0.24 0.01 -0.32 -0.29 0.00 0.00 176.35 176.01 1pfj s MET 27 N -0.12 2.48 0.19 1.98 -2.45 0.30 -1.83 119.30 119.85 1pfj s MET 27 Ca -0.00 -1.01 -0.18 0.00 -1.25 0.00 0.00 55.69 53.24 1pfj s MET 27 Cb -0.13 -2.43 0.16 0.00 1.25 0.00 0.00 34.83 33.68 1pfj s MET 27 CO 0.03 0.48 1.37 0.00 1.05 0.00 0.00 175.02 177.95 1pfj n ALA 28 N 0.05 -0.20 -0.82 4.11 0.00 -1.19 -0.49 120.51 121.97 1pfj n ALA 28 Ca -0.10 0.85 0.08 0.00 0.00 0.00 0.00 53.44 54.27 1pfj n ALA 28 Cb 0.54 -0.34 0.35 0.00 0.00 0.00 0.00 19.45 20.00 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 -5.26 4.06 -3.69 0.00 2.13 -1.26 -4.92 120.64 111.69 1pfj n GLU 29 Ca 0.08 -2.97 -0.07 0.00 0.66 0.00 0.00 57.16 54.86 1pfj n GLU 29 Cb 0.33 -2.03 -0.02 0.00 0.27 0.00 0.00 31.44 29.99 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 -2.47 1.32 0.05 5.31 1.70 0.35 0.12 118.95 125.34 1pfj s ARG 30 Ca 0.49 -0.67 0.06 0.00 -0.47 0.00 0.00 55.73 55.15 1pfj s ARG 30 Cb 0.36 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 35.20 1pfj s ARG 30 CO 0.17 -0.60 -0.14 0.42 -1.08 0.00 0.00 175.30 174.07 1pfj s ILE 31 N -3.51 3.09 0.02 4.99 -1.09 -0.57 0.11 121.20 124.23 1pfj s ILE 31 Ca 0.09 -1.14 0.01 0.00 -2.23 0.00 0.00 60.65 57.38 1pfj s ILE 31 Cb -0.03 -2.35 -0.01 0.00 -1.58 0.00 0.00 42.46 38.49 1pfj s ILE 31 CO -0.00 0.29 -0.04 0.00 -1.23 0.00 0.00 174.94 173.95 1pfj s ALA 32 N -1.01 0.26 0.05 9.38 0.00 0.52 -0.98 121.76 129.98 1pfj s ALA 32 Ca 0.17 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.73 1pfj s ALA 32 Cb -0.11 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1pfj s ALA 32 CO 0.08 -0.05 -0.12 -0.46 0.00 0.00 0.00 175.76 175.21 1pfj s TRP 33 N -0.93 2.71 -0.23 0.00 -0.00 -0.29 0.11 118.94 120.31 1pfj s TRP 33 Ca -0.08 -0.16 -0.04 0.00 -0.00 0.00 0.00 56.10 55.82 1pfj s TRP 33 Cb -0.07 -1.49 0.12 0.00 -0.00 0.00 0.00 33.47 32.04 1pfj s TRP 33 CO -0.00 0.35 0.39 0.00 -0.00 0.00 0.00 176.95 177.69 1pfj s ALA 34 N -1.05 -1.13 0.00 5.86 0.00 0.13 0.17 121.76 125.74 1pfj s ALA 34 Ca 0.18 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1pfj s ALA 34 Cb -0.11 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1pfj s ALA 34 CO 0.09 -1.13 0.00 -0.35 0.00 0.00 0.00 175.76 174.37 1pfj n PRO 35 N 5.37 3.88 -1.15 0.00 -0.04 -1.26 0.06 135.00 141.86 1pfj n PRO 35 Ca -0.05 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.23 1pfj n PRO 35 Cb 0.50 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.88 1pfj n PRO 35 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1pfj n GLU 36 N 0.00 2.06 0.00 0.54 -0.00 -1.26 -4.85 120.64 117.12 1pfj n GLU 36 Ca 0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 57.16 55.62 1pfj n GLU 36 Cb 0.00 -1.93 0.00 0.00 -0.00 0.00 0.00 31.44 29.51 1pfj n GLU 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pfj n GLY 37 N 1.47 -1.77 2.61 -1.84 0.00 -1.26 -4.96 105.19 99.44 1pfj n GLY 37 Ca 0.40 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 1pfj n GLY 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pfj n LYS 38 N 0.00 2.07 0.00 1.61 4.81 -1.26 -4.99 118.16 120.40 1pfj n LYS 38 Ca 0.00 -3.66 0.00 0.00 -0.87 0.00 0.00 58.31 53.78 1pfj n LYS 38 Cb 0.00 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.36 1pfj n LYS 38 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1pfj n ASP 39 N -0.45 0.00 0.01 3.14 5.68 -1.26 -5.08 116.55 118.59 1pfj n ASP 39 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1pfj n ASP 39 Cb 0.82 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.80 1pfj n ASP 39 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1pfj n ARG 40 N 0.00 0.00 -2.26 0.11 1.74 -1.26 -5.12 116.66 109.87 1pfj n ARG 40 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1pfj n ARG 40 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.48 1pfj n ARG 40 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1pfj n PHE 41 N -2.55 -2.43 0.00 -1.55 3.72 -1.26 -4.68 117.46 108.72 1pfj n PHE 41 Ca 0.00 -1.30 0.00 0.00 -0.05 0.00 0.00 57.45 56.10 1pfj n PHE 41 Cb 0.00 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 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 -1.73 0.00 -3.87 4.37 5.66 0.44 -4.77 114.28 114.38 1pfj n THR 42 Ca 0.09 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.98 1pfj n THR 42 Cb 0.37 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.05 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 -1.00 0.09 -0.29 1.09 2.07 0.15 -4.82 121.20 118.49 1pfj s ILE 43 Ca 0.00 -0.75 -0.01 0.00 -1.41 0.00 0.00 60.65 58.47 1pfj s ILE 43 Cb 0.00 -0.55 0.18 0.00 0.13 0.00 0.00 42.46 42.23 1pfj s ILE 43 CO 0.00 -0.41 0.57 -0.55 -1.91 0.00 0.00 174.94 172.64 1pfj s SER 44 N -1.55 -1.19 -0.19 4.50 0.15 -1.24 -1.14 113.70 113.04 1pfj s SER 44 Ca -0.13 0.79 0.01 0.00 0.70 0.00 0.00 55.95 57.33 1pfj s SER 44 Cb -0.06 2.04 0.03 0.00 -1.71 0.00 0.00 66.02 66.32 1pfj s SER 44 CO 0.00 -0.27 -0.16 -1.38 1.20 0.00 0.00 173.24 172.64 1pfj s HIS 45 N 2.82 2.69 0.15 3.44 -3.43 -0.15 -4.92 115.29 115.89 1pfj s HIS 45 Ca 0.20 -1.67 -0.31 0.00 -0.80 0.00 0.00 55.06 52.47 1pfj s HIS 45 Cb -0.15 -1.82 -0.11 0.00 -1.43 0.00 0.00 32.58 29.08 1pfj s HIS 45 CO -0.20 -0.79 1.73 -1.64 -2.00 0.00 0.00 174.74 171.84 1pfj s MET 46 N 1.31 4.15 0.26 -0.38 -1.94 -1.26 -1.51 119.30 119.94 1pfj s MET 46 Ca 0.02 2.53 -0.03 0.00 -1.71 0.00 0.00 55.69 56.49 1pfj s MET 46 Cb -0.15 -3.34 0.55 0.00 2.01 0.00 0.00 34.83 33.91 1pfj s MET 46 CO -0.10 -0.76 1.64 1.88 -0.01 0.00 0.00 175.02 177.67 1pfj h TYR 47 N 7.64 0.13 0.00 -0.03 0.05 0.68 1.99 116.97 127.42 1pfj h TYR 47 Ca -0.44 0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.33 1pfj h TYR 47 Cb 1.21 0.07 -0.01 0.00 1.01 0.00 0.00 36.73 39.01 1pfj h TYR 47 CO 0.71 -0.22 -0.31 0.00 -1.05 0.00 0.00 178.16 177.30 1pfj h ALA 48 N 1.74 1.31 0.00 3.88 0.00 -1.89 0.58 119.26 124.88 1pfj h ALA 48 Ca 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1pfj h ALA 48 Cb 0.88 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1pfj h ALA 48 CO -0.66 0.38 0.00 -0.25 0.00 0.00 0.00 179.25 178.72 1pfj n ASP 49 N -3.91 0.00 -3.81 0.00 9.92 0.66 -4.48 116.55 114.94 1pfj n ASP 49 Ca -0.02 0.10 -0.13 0.00 -0.53 0.00 0.00 54.79 54.21 1pfj n ASP 49 Cb 0.38 -0.24 -0.14 0.00 -0.64 0.00 0.00 41.12 40.48 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 -2.49 -0.02 -0.27 0.53 -4.36 0.20 -4.30 121.20 110.49 1pfj s ILE 50 Ca 0.09 0.06 -0.01 0.00 -0.26 0.00 0.00 60.65 60.53 1pfj s ILE 50 Cb 0.06 -0.16 0.09 0.00 1.25 0.00 0.00 42.46 43.70 1pfj s ILE 50 CO 0.13 0.03 0.07 -0.75 0.24 0.00 0.00 174.94 174.65 1pfj s LYS 51 N 0.42 0.76 0.00 0.37 2.36 0.55 -4.75 119.74 119.45 1pfj s LYS 51 Ca -0.03 -0.88 0.00 0.00 -2.55 0.00 0.00 55.97 52.51 1pfj s LYS 51 Cb -0.04 -2.05 0.00 0.00 -1.05 0.00 0.00 37.83 34.69 1pfj s LYS 51 CO -0.02 -0.87 0.00 0.00 1.55 0.00 0.00 175.35 176.02 1pfj s GLN 53 N -0.24 0.11 -0.21 0.00 1.11 -1.26 -2.03 119.66 117.14 1pfj s GLN 53 Ca 0.00 0.36 -0.04 0.00 0.01 0.00 0.00 55.36 55.69 1pfj s GLN 53 Cb 0.00 -0.14 0.11 0.00 -1.01 0.00 0.00 33.01 31.97 1pfj s GLN 53 CO 0.00 -0.15 0.35 0.21 0.01 0.00 0.00 175.29 175.71 1pfj s LYS 54 N 1.04 0.30 -0.27 2.91 2.20 0.36 -4.99 119.74 121.29 1pfj s LYS 54 Ca -0.08 0.62 -0.04 0.00 -0.36 0.00 0.00 55.97 56.11 1pfj s LYS 54 Cb -0.10 -0.36 0.10 0.00 -1.51 0.00 0.00 37.83 35.95 1pfj s LYS 54 CO -0.05 -0.52 0.13 0.96 -0.36 0.00 0.00 175.35 175.51 1pfj s ILE 55 N 2.51 -0.09 -0.20 5.43 -5.25 -1.26 -0.71 121.20 121.64 1pfj s ILE 55 Ca 0.08 -0.65 0.12 0.00 -0.99 0.00 0.00 60.65 59.21 1pfj s ILE 55 Cb -0.14 -0.91 0.41 0.00 2.95 0.00 0.00 42.46 44.76 1pfj s ILE 55 CO -0.14 -0.64 1.21 -1.20 -1.79 0.00 0.00 174.94 172.38 1pfj n SER 56 N 5.26 1.74 0.00 4.36 7.64 -1.26 -4.75 113.62 126.60 1pfj n SER 56 Ca -0.06 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.03 1pfj n SER 56 Cb 0.43 -0.52 0.02 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.10 0.00 0.30 1.43 -0.05 -1.26 -1.05 135.00 133.27 1pfj n PRO 57 Ca 0.18 0.40 0.18 0.00 -0.05 0.00 0.00 63.50 64.21 1pfj n PRO 57 Cb 0.70 -1.50 0.98 0.00 -0.05 0.00 0.00 33.50 33.62 1pfj n PRO 57 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 175.50 176.94 1pfj h GLU 58 N 0.00 0.00 0.00 0.54 4.81 -1.94 -2.45 114.58 115.53 1pfj h GLU 58 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1pfj h GLU 58 Cb 0.01 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.22 1pfj h GLU 58 CO 0.00 0.00 -0.69 0.41 -0.73 0.00 0.00 179.01 178.00 1pfj n GLY 59 N -1.16 0.74 0.00 1.92 0.00 -0.22 -5.05 105.19 101.42 1pfj n GLY 59 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.21 0.00 -0.01 1.61 4.76 -0.92 -5.04 118.16 118.76 1pfj n LYS 60 Ca 0.01 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.42 1pfj n LYS 60 Cb 0.88 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 34.06 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 2.63 -1.57 7.82 0.00 -1.26 -4.97 120.51 120.16 1pfj n ALA 61 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.31 1pfj n ALA 61 Cb 0.00 0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 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 -3.02 0.00 0.00 0.00 0.00 -1.26 -5.08 118.16 108.81 1pfj n LYS 62 Ca -0.06 -0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.04 1pfj n LYS 62 Cb 0.54 0.26 0.00 0.00 -0.00 0.00 0.00 35.03 35.84 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 0.00 0.00 -4.98 0.58 3.06 -1.26 -4.46 119.36 112.30 1pfj n ILE 63 Ca -0.06 0.00 -0.28 0.00 -2.50 0.00 0.00 62.75 59.91 1pfj n ILE 63 Cb 0.33 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.34 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 -0.36 2.11 0.31 9.51 -2.07 -1.26 -2.52 119.66 125.38 1pfj s GLN 64 Ca 0.00 -0.71 0.06 0.00 -1.82 0.00 0.00 55.36 52.89 1pfj s GLN 64 Cb 0.00 -1.78 -0.06 0.00 -1.09 0.00 0.00 33.01 30.07 1pfj s GLN 64 CO 0.00 0.26 -0.01 -0.48 -1.32 0.00 0.00 175.29 173.75 1pfj s LEU 65 N 0.05 2.41 -0.12 2.60 -0.00 0.23 -4.06 118.68 119.78 1pfj s LEU 65 Ca -0.06 -1.28 -0.10 0.00 -0.00 0.00 0.00 54.13 52.69 1pfj s LEU 65 Cb -0.13 -0.56 0.04 0.00 -0.00 0.00 0.00 46.19 45.54 1pfj s LEU 65 CO 0.03 -0.45 0.32 -1.58 -0.00 0.00 0.00 176.35 174.67 1pfj s GLN 66 N -3.79 0.35 0.04 1.48 0.74 0.12 -1.57 119.66 117.02 1pfj s GLN 66 Ca 0.33 0.49 0.01 0.00 0.05 0.00 0.00 55.36 56.24 1pfj s GLN 66 Cb 0.06 0.12 -0.02 0.00 1.10 0.00 0.00 33.01 34.27 1pfj s GLN 66 CO 0.14 -0.07 -0.06 -1.17 -0.55 0.00 0.00 175.29 173.58 1pfj s LEU 67 N 0.44 2.27 0.19 3.68 0.20 0.34 -0.49 118.68 125.31 1pfj s LEU 67 Ca -0.02 -0.56 0.08 0.00 0.69 0.00 0.00 54.13 54.31 1pfj s LEU 67 Cb -0.04 -0.05 -0.05 0.00 -0.43 0.00 0.00 46.19 45.62 1pfj s LEU 67 CO -0.02 -0.26 -0.15 -0.69 -0.29 0.00 0.00 176.35 174.94 1pfj s VAL 68 N -1.57 1.70 -0.03 1.68 1.01 -0.86 0.25 120.40 122.58 1pfj s VAL 68 Ca -0.11 -2.12 -0.11 0.00 0.00 0.00 0.00 61.98 59.64 1pfj s VAL 68 Cb -0.09 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1pfj s VAL 68 CO -0.01 -0.54 0.31 -0.76 0.00 0.00 0.00 175.10 174.11 1pfj s LEU 69 N -3.14 4.43 0.51 3.92 1.43 0.41 0.21 118.68 126.45 1pfj s LEU 69 Ca 0.20 0.77 0.35 0.00 -1.03 0.00 0.00 54.13 54.41 1pfj s LEU 69 Cb -0.02 -2.47 1.49 0.00 0.03 0.00 0.00 46.19 45.22 1pfj s LEU 69 CO 0.06 0.33 1.74 1.12 0.23 0.00 0.00 176.35 179.84 1pfj h HIS 70 N 4.65 0.18 -0.24 0.29 2.07 -1.79 -3.35 115.15 116.96 1pfj h HIS 70 Ca -0.52 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.00 1pfj h HIS 70 Cb 1.22 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.15 1pfj h HIS 70 CO 0.72 -0.01 0.00 0.00 -3.07 0.00 0.00 177.93 175.56 1pfj n ALA 71 N -2.71 0.00 -2.50 6.11 0.00 -1.26 -4.90 120.51 115.25 1pfj n ALA 71 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.41 1pfj n ALA 71 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.78 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 2.30 5.82 2.87 0.00 0.00 -1.26 -4.96 105.19 109.96 1pfj n GLY 72 Ca 0.00 -2.66 -0.18 0.00 0.00 0.00 0.00 46.02 43.17 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 -2.44 0.69 0.23 1.61 1.01 -1.26 -4.99 116.67 111.52 1pfj s ASP 73 Ca 0.47 -0.08 0.07 0.00 0.71 0.00 0.00 52.55 53.72 1pfj s ASP 73 Cb 0.33 -0.33 -0.04 0.00 1.01 0.00 0.00 42.92 43.89 1pfj s ASP 73 CO -0.22 -0.06 0.14 -0.89 0.21 0.00 0.00 175.17 174.35 1pfj s THR 74 N 0.87 4.27 -0.22 -1.27 2.01 -1.26 0.16 115.64 120.19 1pfj s THR 74 Ca -0.10 -1.41 -0.01 0.00 0.31 0.00 0.00 61.69 60.48 1pfj s THR 74 Cb -0.13 -3.27 0.06 0.00 0.01 0.00 0.00 72.50 69.17 1pfj s THR 74 CO -0.01 -0.29 -0.02 -0.89 -0.69 0.00 0.00 174.62 172.73 1pfj s THR 75 N -2.06 1.17 -0.15 -0.82 2.01 0.70 -4.92 115.64 111.57 1pfj s THR 75 Ca 0.32 -1.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.27 1pfj s THR 75 Cb -0.08 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 1pfj s THR 75 CO 0.23 -0.16 -0.04 0.20 -0.69 0.00 0.00 174.62 174.17 1pfj s ASN 76 N 1.56 4.82 0.03 3.53 -0.87 -1.26 -0.50 114.94 122.24 1pfj s ASN 76 Ca -0.03 -0.12 0.02 0.00 -1.57 0.00 0.00 52.86 51.16 1pfj s ASN 76 Cb -0.18 -1.76 -0.02 0.00 -0.02 0.00 0.00 41.25 39.26 1pfj s ASN 76 CO -0.07 0.18 -0.06 -0.36 -2.57 0.00 0.00 177.10 174.21 1pfj s PHE 77 N 0.30 0.56 0.16 2.20 0.08 -0.61 -4.62 117.98 116.06 1pfj s PHE 77 Ca -0.03 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.52 1pfj s PHE 77 Cb -0.14 -0.34 -0.00 0.00 -0.57 0.00 0.00 43.02 41.97 1pfj s PHE 77 CO 0.03 -0.08 0.32 -1.58 -0.10 0.00 0.00 175.22 173.81 1pfj s HIS 78 N -1.07 0.29 0.02 0.36 5.65 0.34 -0.60 115.29 120.28 1pfj s HIS 78 Ca -0.08 -0.66 0.06 0.00 0.25 0.00 0.00 55.06 54.63 1pfj s HIS 78 Cb -0.08 0.02 -0.02 0.00 -1.18 0.00 0.00 32.58 31.32 1pfj s HIS 78 CO 0.00 -0.74 -0.17 -0.06 -0.65 0.00 0.00 174.74 173.12 1pfj s PHE 79 N -3.94 1.50 -0.30 3.88 0.08 -1.05 0.26 117.98 118.41 1pfj s PHE 79 Ca 0.15 -0.33 -0.15 0.00 0.12 0.00 0.00 56.93 56.72 1pfj s PHE 79 Cb 0.03 -0.92 0.15 0.00 -0.57 0.00 0.00 43.02 41.71 1pfj s PHE 79 CO -0.01 0.03 0.96 0.45 -0.10 0.00 0.00 175.22 176.54 1pfj s SER 80 N -0.84 -0.59 0.24 1.36 0.15 -1.26 -4.63 113.70 108.13 1pfj s SER 80 Ca 0.05 0.86 -0.12 0.00 0.70 0.00 0.00 55.95 57.45 1pfj s SER 80 Cb -0.07 1.50 -0.01 0.00 -1.71 0.00 0.00 66.02 65.73 1pfj s SER 80 CO 0.01 -0.13 0.44 0.20 1.20 0.00 0.00 173.24 174.96 1pfj s ASN 81 N 2.00 -0.07 0.22 5.45 -0.87 -1.26 -4.80 114.94 115.61 1pfj s ASN 81 Ca -0.06 -0.97 -0.10 0.00 -1.57 0.00 0.00 52.86 50.16 1pfj s ASN 81 Cb -0.05 0.57 0.31 0.00 -0.02 0.00 0.00 41.25 42.06 1pfj s ASN 81 CO -0.17 -1.11 1.66 -0.08 -2.57 0.00 0.00 177.10 174.83 1pfj h GLU 82 N 2.29 0.11 0.00 -0.60 4.22 -2.02 -3.35 114.58 115.24 1pfj h GLU 82 Ca -0.27 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.16 1pfj h GLU 82 Cb 1.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1pfj h GLU 82 CO 0.37 0.07 -0.16 0.43 -2.18 0.00 0.00 179.01 177.55 1pfj n SER 83 N -5.29 0.00 -0.80 1.04 7.64 -1.26 -4.86 113.62 110.09 1pfj n SER 83 Ca 0.10 -1.31 0.10 0.00 1.01 0.00 0.00 58.87 58.76 1pfj n SER 83 Cb 0.37 -0.06 0.08 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.00 -2.77 0.44 -2.24 -1.25 -4.65 114.28 103.81 1pfj n THR 84 Ca 0.00 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 1pfj n THR 84 Cb 0.56 1.42 0.00 0.00 -2.10 0.00 0.00 70.33 70.21 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 1.12 4.59 -2.00 6.98 0.00 -1.26 -4.59 120.51 125.35 1pfj n ALA 85 Ca 0.12 -4.37 0.00 0.00 0.00 0.00 0.00 53.44 49.19 1pfj n ALA 85 Cb 0.50 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 17.05 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 3.63 0.00 -0.17 0.00 0.24 -1.26 -4.83 118.33 115.94 1pfj n VAL 86 Ca 0.36 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.61 1pfj n VAL 86 Cb 0.39 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.72 1pfj n VAL 86 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1pfj n LYS 87 N 0.00 -0.17 0.00 7.34 4.81 -1.26 0.16 118.16 129.03 1pfj n LYS 87 Ca 0.00 1.09 0.00 0.00 -0.87 0.00 0.00 58.31 58.53 1pfj n LYS 87 Cb 0.00 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.43 1pfj n LYS 87 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1pfj n GLU 88 N -3.88 0.00 -0.31 1.64 0.00 -1.26 0.25 120.64 117.08 1pfj n GLU 88 Ca 0.01 0.73 0.15 0.00 0.00 0.00 0.00 57.16 58.05 1pfj n GLU 88 Cb 0.10 -1.16 0.39 0.00 0.00 0.00 0.00 31.44 30.77 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 0.63 0.00 3.44 2.47 -1.65 2.20 114.38 121.48 1pfj h ARG 89 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1pfj h ARG 89 Cb 0.00 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 1pfj h ARG 89 CO 0.00 0.42 0.05 0.22 0.56 0.00 0.00 179.97 181.22 1pfj h ASP 90 N 0.65 0.00 0.16 7.04 1.82 1.29 0.35 116.42 127.73 1pfj h ASP 90 Ca 0.53 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.81 1pfj h ASP 90 Cb 0.97 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.97 1pfj h ASP 90 CO -0.29 0.00 -1.92 0.00 -1.61 0.00 0.00 179.24 175.42 1pfj h ALA 91 N 1.89 0.37 0.12 -0.78 0.00 1.23 -1.65 119.26 120.44 1pfj h ALA 91 Ca 0.00 -1.32 -0.00 0.00 0.00 0.00 0.00 54.91 53.58 1pfj h ALA 91 Cb 0.10 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1pfj h ALA 91 CO 0.00 1.24 -0.11 0.28 0.00 0.00 0.00 179.25 180.66 1pfj h VAL 92 N 0.08 0.00 -0.99 0.00 2.07 0.76 -0.01 116.25 118.16 1pfj h VAL 92 Ca -0.40 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.32 1pfj h VAL 92 Cb 2.05 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.73 1pfj h VAL 92 CO 0.11 0.00 0.61 0.50 0.02 0.00 0.00 177.57 178.82 1pfj h LYS 93 N -0.23 0.66 -0.63 1.57 3.64 -1.05 0.84 116.57 121.36 1pfj h LYS 93 Ca -0.02 -0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.51 1pfj h LYS 93 Cb 0.20 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1pfj h LYS 93 CO -0.01 0.44 0.53 0.22 -2.27 0.00 0.00 179.45 178.36 1pfj h ASP 94 N 0.68 0.00 0.02 4.20 1.82 -0.16 -1.78 116.42 121.20 1pfj h ASP 94 Ca 0.56 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.89 1pfj h ASP 94 Cb 0.98 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.94 1pfj h ASP 94 CO -0.33 0.00 -1.70 0.18 -1.61 0.00 0.00 179.24 175.78 1pfj n LEU 95 N -4.03 2.04 -0.04 2.28 7.99 0.27 -4.20 117.00 121.32 1pfj n LEU 95 Ca 0.12 0.35 -0.02 0.00 -0.01 0.00 0.00 56.01 56.45 1pfj n LEU 95 Cb 0.77 -0.96 -0.02 0.00 -0.11 0.00 0.00 43.42 43.11 1pfj n LEU 95 CO 0.33 0.45 0.50 -0.07 -1.51 0.00 0.00 177.39 177.10 1pfj h LEU 96 N -0.80 -0.31 0.00 2.23 3.38 -0.24 0.51 115.31 120.08 1pfj h LEU 96 Ca -0.45 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1pfj h LEU 96 Cb 1.50 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1pfj h LEU 96 CO -0.21 -0.06 0.01 0.00 0.09 0.00 0.00 178.44 178.28 1pfj n GLN 97 N -3.20 0.00 -0.09 1.13 -0.00 -0.92 -0.52 117.38 113.78 1pfj n GLN 97 Ca -0.00 0.14 -0.11 0.00 -0.00 0.00 0.00 57.00 57.03 1pfj n GLN 97 Cb 0.05 -1.51 -0.15 0.00 -0.00 0.00 0.00 30.24 28.62 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 0.68 0.01 2.61 0.00 0.16 -4.15 117.38 115.58 1pfj n GLN 98 Ca 0.00 0.05 -0.15 0.00 -0.00 0.00 0.00 57.00 56.90 1pfj n GLN 98 Cb 0.01 -1.56 -0.14 0.00 0.00 0.00 0.00 30.24 28.55 1pfj n GLN 98 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1pfj h LEU 99 N 0.00 0.26 -1.57 1.69 4.07 0.89 -3.31 115.31 117.34 1pfj h LEU 99 Ca -0.51 -0.50 0.22 0.00 0.08 0.00 0.00 57.88 57.17 1pfj h LEU 99 Cb 2.19 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 43.78 1pfj h LEU 99 CO 0.03 1.44 0.61 -0.07 -1.08 0.00 0.00 178.44 179.37 1pfj h LEU 100 N 0.04 0.35 0.00 1.67 3.38 -1.11 2.22 115.31 121.86 1pfj h LEU 100 Ca -0.32 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1pfj h LEU 100 Cb 2.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1pfj h LEU 100 CO 0.10 0.13 0.00 -2.65 0.09 0.00 0.00 178.44 176.11 1pfj n PRO 101 N -4.49 0.49 -0.02 1.13 -0.02 -1.25 -1.31 135.00 129.54 1pfj n PRO 101 Ca 0.20 0.03 -0.17 0.00 -2.02 0.00 0.00 63.50 61.54 1pfj n PRO 101 Cb 0.76 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.60 1pfj n PRO 101 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1pfj n LYS 102 N -1.09 0.71 -0.01 -0.52 4.81 0.75 -4.33 118.16 118.49 1pfj n LYS 102 Ca 0.12 0.25 0.06 0.00 -0.87 0.00 0.00 58.31 57.87 1pfj n LYS 102 Cb 0.09 -1.70 0.05 0.00 0.02 0.00 0.00 35.03 33.49 1pfj n LYS 102 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 1pfj n PHE 103 N -3.32 0.02 -0.33 5.64 -1.74 -1.15 -4.99 117.46 111.59 1pfj n PHE 103 Ca -0.30 -0.02 -0.00 0.00 -0.56 0.00 0.00 57.45 56.57 1pfj n PHE 103 Cb 1.05 -0.00 0.00 0.00 1.52 0.00 0.00 39.48 42.05 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 0.68 -1.36 -4.93 3.97 3.00 -0.43 -4.92 118.16 114.17 1pfj n LYS 104 Ca 0.07 -0.01 -0.28 0.00 -0.00 0.00 0.00 58.31 58.10 1pfj n LYS 104 Cb 0.31 -0.01 -0.16 0.00 0.00 0.00 0.00 35.03 35.16 1pfj n LYS 104 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1pfj s ARG 105 N -3.01 2.08 0.00 1.64 3.03 -1.26 -4.97 118.95 116.46 1pfj s ARG 105 Ca 0.00 -0.67 0.00 0.00 2.03 0.00 0.00 55.73 57.10 1pfj s ARG 105 Cb -0.00 -1.74 0.00 0.00 -1.03 0.00 0.00 34.95 32.18 1pfj s ARG 105 CO 0.00 0.23 0.74 1.63 -1.13 0.00 0.00 175.30 176.77 1pfj n LYS 106 N 3.26 0.00 -3.16 3.89 4.76 -1.26 -5.04 118.16 120.61 1pfj n LYS 106 Ca -0.19 -0.50 -0.46 0.00 -2.87 0.00 0.00 58.31 54.30 1pfj n LYS 106 Cb 0.53 0.25 -0.02 0.00 -1.84 0.00 0.00 35.03 33.94 1pfj n LYS 106 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pfj s ALA 107 N 0.00 3.82 0.00 7.82 0.00 -1.26 -5.31 121.76 126.82 1pfj s ALA 107 Ca 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 51.96 48.84 1pfj s ALA 107 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1pfj s ALA 107 CO 0.00 -2.57 0.48 0.09 0.00 0.00 0.00 175.76 173.77