#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 0.00 -0.19 3.17 0.00 -1.26 -5.02 120.51 117.20 1pfj n ALA 2 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1pfj n ALA 2 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1pfj n ALA 2 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1pfj h THR 3 N 0.28 0.21 -1.81 0.00 1.35 -2.14 -3.39 112.91 107.41 1pfj h THR 3 Ca 0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 65.20 1pfj h THR 3 Cb 0.00 0.21 0.07 0.00 -1.73 0.00 0.00 68.15 66.70 1pfj h THR 3 CO 0.00 0.00 0.37 -1.20 -0.25 0.00 0.00 175.52 174.44 1pfj n SER 4 N -5.43 1.51 0.00 5.36 7.64 -1.26 -4.94 113.62 116.49 1pfj n SER 4 Ca 0.04 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1pfj n SER 4 Cb 0.35 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1pfj n SER 4 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pfj n SER 5 N 2.28 0.00 -4.65 6.43 7.64 -1.26 -5.03 113.62 119.02 1pfj n SER 5 Ca 0.17 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.74 1pfj n SER 5 Cb 0.22 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.59 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 4.04 0.82 -0.24 1.43 8.01 -1.26 -5.00 118.70 126.50 1pfj s GLU 6 Ca 0.00 1.31 0.02 0.00 0.01 0.00 0.00 54.97 56.31 1pfj s GLU 6 Cb 0.00 -1.72 0.05 0.00 -4.31 0.00 0.00 34.13 28.15 1pfj s GLU 6 CO 0.00 -2.69 -0.12 -1.21 0.01 0.00 0.00 175.26 171.25 1pfj s GLU 7 N -4.67 2.43 0.18 1.61 2.02 -1.26 -5.11 118.70 113.90 1pfj s GLU 7 Ca 0.66 -1.22 0.02 0.00 0.02 0.00 0.00 54.97 54.45 1pfj s GLU 7 Cb -0.22 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 1pfj s GLU 7 CO 0.59 -0.49 0.33 0.14 0.02 0.00 0.00 175.26 175.85 1pfj s VAL 8 N 1.16 5.28 -0.27 2.63 -7.23 -1.26 -3.45 120.40 117.25 1pfj s VAL 8 Ca -0.05 -0.60 -0.15 0.00 -1.81 0.00 0.00 61.98 59.37 1pfj s VAL 8 Cb -0.18 -3.75 -0.13 0.00 0.56 0.00 0.00 36.38 32.88 1pfj s VAL 8 CO -0.07 -0.15 -0.29 -0.11 -0.31 0.00 0.00 175.10 174.18 1pfj n LEU 9 N -0.67 1.95 -3.56 1.32 7.94 -1.03 -4.83 117.00 118.11 1pfj n LEU 9 Ca -0.06 0.35 -0.17 0.00 -1.11 0.00 0.00 56.01 55.02 1pfj n LEU 9 Cb 0.54 -0.84 -0.06 0.00 0.53 0.00 0.00 43.42 43.59 1pfj n LEU 9 CO 0.48 0.53 0.40 -0.22 -1.11 0.00 0.00 177.39 177.47 1pfj s LEU 10 N -7.56 -0.55 0.02 -1.96 0.20 -0.97 -5.02 118.68 102.84 1pfj s LEU 10 Ca -0.38 0.80 -0.00 0.00 0.69 0.00 0.00 54.13 55.24 1pfj s LEU 10 Cb 0.14 2.42 -0.02 0.00 -0.43 0.00 0.00 46.19 48.29 1pfj s LEU 10 CO 0.50 -0.53 -0.02 -0.51 -0.29 0.00 0.00 176.35 175.50 1pfj s ILE 11 N -0.92 0.11 -0.15 6.68 1.10 -1.26 0.12 121.20 126.88 1pfj s ILE 11 Ca -0.09 -0.93 -0.02 0.00 -0.51 0.00 0.00 60.65 59.09 1pfj s ILE 11 Cb -0.01 -0.31 0.05 0.00 0.15 0.00 0.00 42.46 42.33 1pfj s ILE 11 CO 0.08 -0.51 0.02 0.68 -2.11 0.00 0.00 174.94 173.10 1pfj s VAL 12 N -1.55 0.48 0.37 4.00 -7.23 0.15 -4.97 120.40 111.65 1pfj s VAL 12 Ca -0.15 -0.32 0.35 0.00 -1.81 0.00 0.00 61.98 60.05 1pfj s VAL 12 Cb -0.09 -0.86 0.35 0.00 0.56 0.00 0.00 36.38 36.34 1pfj s VAL 12 CO -0.01 -0.04 2.08 0.07 -0.31 0.00 0.00 175.10 176.89 1pfj h LYS 13 N 8.27 0.00 -5.10 4.82 2.10 -1.92 0.36 116.57 125.11 1pfj h LYS 13 Ca -0.18 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.81 1pfj h LYS 13 Cb 1.12 0.00 -0.32 0.00 -0.90 0.00 0.00 32.23 32.13 1pfj h LYS 13 CO 0.31 0.00 -0.82 0.21 -2.00 0.00 0.00 179.45 177.15 1pfj s LYS 14 N -3.93 3.12 0.00 0.07 2.47 -1.26 -3.27 119.74 116.94 1pfj s LYS 14 Ca -0.04 -0.78 -0.17 0.00 -1.56 0.00 0.00 55.97 53.42 1pfj s LYS 14 Cb 0.10 -2.64 0.03 0.00 -1.46 0.00 0.00 37.83 33.86 1pfj s LYS 14 CO 0.32 -0.13 0.37 0.08 0.16 0.00 0.00 175.35 176.16 1pfj s VAL 15 N 1.14 0.06 -0.08 4.02 1.01 0.29 -4.65 120.40 122.19 1pfj s VAL 15 Ca 0.01 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1pfj s VAL 15 Cb -0.14 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1pfj s VAL 15 CO -0.07 -0.25 -0.20 -0.60 0.00 0.00 0.00 175.10 173.99 1pfj s ARG 16 N -1.78 2.46 -0.03 2.72 6.06 0.72 0.90 118.95 130.01 1pfj s ARG 16 Ca -0.10 -0.70 0.01 0.00 -2.50 0.00 0.00 55.73 52.43 1pfj s ARG 16 Cb -0.03 -1.93 0.02 0.00 0.06 0.00 0.00 34.95 33.07 1pfj s ARG 16 CO 0.02 0.15 -0.01 1.14 -2.50 0.00 0.00 175.30 174.09 1pfj s GLN 17 N 0.39 0.40 0.52 5.12 -2.07 -0.03 0.20 119.66 124.19 1pfj s GLN 17 Ca -0.15 0.02 0.14 0.00 -1.82 0.00 0.00 55.36 53.55 1pfj s GLN 17 Cb -0.16 -0.53 0.49 0.00 -1.09 0.00 0.00 33.01 31.72 1pfj s GLN 17 CO 0.06 -0.10 1.00 1.63 -1.32 0.00 0.00 175.29 176.56 1pfj n LYS 18 N 3.98 0.02 0.06 9.60 4.01 -1.26 0.67 118.16 135.24 1pfj n LYS 18 Ca -0.25 0.83 -0.07 0.00 -0.51 0.00 0.00 58.31 58.31 1pfj n LYS 18 Cb 0.51 -2.13 -0.05 0.00 -0.51 0.00 0.00 35.03 32.86 1pfj n LYS 18 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 1pfj h LYS 19 N 0.00 -0.25 -3.61 1.97 2.10 -1.93 -3.49 116.57 111.37 1pfj h LYS 19 Ca 0.27 0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.88 1pfj h LYS 19 Cb 2.18 0.06 -0.10 0.00 -0.90 0.00 0.00 32.23 33.47 1pfj h LYS 19 CO -0.00 0.02 -0.11 -1.14 -2.00 0.00 0.00 179.45 176.22 1pfj s GLN 20 N -2.81 1.48 -0.18 0.07 0.74 0.21 -5.12 119.66 114.05 1pfj s GLN 20 Ca -0.08 -1.17 -0.06 0.00 0.05 0.00 0.00 55.36 54.09 1pfj s GLN 20 Cb 0.00 0.47 -0.03 0.00 1.10 0.00 0.00 33.01 34.55 1pfj s GLN 20 CO 0.29 -0.61 0.03 -0.51 -0.55 0.00 0.00 175.29 173.93 1pfj s ASP 21 N -2.99 5.29 0.20 6.67 1.11 -1.26 -0.85 116.67 124.84 1pfj s ASP 21 Ca 0.19 -0.03 -0.23 0.00 0.18 0.00 0.00 52.55 52.67 1pfj s ASP 21 Cb -0.00 -1.90 0.05 0.00 1.07 0.00 0.00 42.92 42.14 1pfj s ASP 21 CO 0.06 0.14 0.73 -0.83 1.18 0.00 0.00 175.17 176.45 1pfj s GLY 22 N 0.55 -0.32 0.09 0.21 0.00 0.26 -4.89 107.32 103.21 1pfj s GLY 22 Ca 0.01 0.14 -0.25 0.00 0.00 0.00 0.00 44.72 44.62 1pfj s GLY 22 CO 0.02 0.05 0.78 0.00 0.00 0.00 0.00 173.10 173.94 1pfj s ALA 23 N -3.71 3.39 -0.15 3.20 0.00 0.59 0.11 121.76 125.19 1pfj s ALA 23 Ca 0.07 0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 1pfj s ALA 23 Cb -0.03 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1pfj s ALA 23 CO -0.02 0.13 -0.01 -0.51 0.00 0.00 0.00 175.76 175.35 1pfj s LEU 24 N -0.39 3.41 -0.13 0.00 1.43 0.13 0.12 118.68 123.25 1pfj s LEU 24 Ca 0.38 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1pfj s LEU 24 Cb -0.21 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1pfj s LEU 24 CO 0.24 0.21 -0.08 -0.31 0.23 0.00 0.00 176.35 176.64 1pfj s TYR 25 N 0.13 2.91 -0.16 0.29 2.02 0.37 0.33 117.35 123.25 1pfj s TYR 25 Ca 0.00 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.27 1pfj s TYR 25 Cb -0.13 -1.87 -0.02 0.00 -0.40 0.00 0.00 41.96 39.53 1pfj s TYR 25 CO 0.02 -0.06 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.73 1pfj s LEU 26 N 0.18 3.14 0.17 -1.29 0.20 0.32 0.14 118.68 121.54 1pfj s LEU 26 Ca -0.05 -0.19 0.10 0.00 0.69 0.00 0.00 54.13 54.69 1pfj s LEU 26 Cb -0.14 -1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 1pfj s LEU 26 CO 0.04 0.14 -0.20 -0.32 -0.29 0.00 0.00 176.35 175.72 1pfj s MET 27 N 0.52 1.67 0.18 1.98 -2.45 0.42 -2.30 119.30 119.32 1pfj s MET 27 Ca -0.04 -1.39 -0.18 0.00 -1.25 0.00 0.00 55.69 52.83 1pfj s MET 27 Cb -0.14 -1.97 0.14 0.00 1.25 0.00 0.00 34.83 34.10 1pfj s MET 27 CO 0.03 0.43 1.33 0.00 1.05 0.00 0.00 175.02 177.85 1pfj n ALA 28 N 0.36 -0.22 0.20 4.11 0.00 -1.22 -1.09 120.51 122.65 1pfj n ALA 28 Ca -0.13 0.82 0.08 0.00 0.00 0.00 0.00 53.44 54.21 1pfj n ALA 28 Cb 0.55 -0.31 0.15 0.00 0.00 0.00 0.00 19.45 19.84 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 -5.21 2.10 -3.69 0.00 2.13 -1.26 -4.96 120.64 109.75 1pfj n GLU 29 Ca 0.07 -1.93 -0.09 0.00 0.66 0.00 0.00 57.16 55.86 1pfj n GLU 29 Cb 0.31 -1.37 -0.02 0.00 0.27 0.00 0.00 31.44 30.63 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 -1.20 1.53 -0.10 5.31 1.70 -0.25 0.21 118.95 126.14 1pfj s ARG 30 Ca 0.28 -0.80 -0.01 0.00 -0.47 0.00 0.00 55.73 54.72 1pfj s ARG 30 Cb 0.16 0.58 -0.03 0.00 -0.57 0.00 0.00 34.95 35.09 1pfj s ARG 30 CO 0.23 -0.68 -0.04 0.42 -1.08 0.00 0.00 175.30 174.15 1pfj s ILE 31 N -3.86 3.96 0.10 4.99 -1.09 -0.61 0.16 121.20 124.86 1pfj s ILE 31 Ca 0.08 -0.37 0.08 0.00 -2.23 0.00 0.00 60.65 58.21 1pfj s ILE 31 Cb -0.03 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.14 1pfj s ILE 31 CO -0.02 0.57 -0.21 0.00 -1.23 0.00 0.00 174.94 174.05 1pfj s ALA 32 N -0.45 1.80 0.03 9.38 0.00 0.38 -0.70 121.76 132.20 1pfj s ALA 32 Ca 0.07 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 50.85 1pfj s ALA 32 Cb -0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1pfj s ALA 32 CO 0.02 0.35 -0.22 -0.46 0.00 0.00 0.00 175.76 175.46 1pfj s TRP 33 N -1.20 1.92 0.18 0.00 -0.00 -0.74 0.14 118.94 119.24 1pfj s TRP 33 Ca 0.07 -0.38 -0.12 0.00 -0.00 0.00 0.00 56.10 55.67 1pfj s TRP 33 Cb -0.10 -1.16 0.00 0.00 -0.00 0.00 0.00 33.47 32.21 1pfj s TRP 33 CO 0.04 0.08 0.38 0.00 -0.00 0.00 0.00 176.95 177.44 1pfj s ALA 34 N -0.75 -0.34 0.00 5.86 0.00 0.32 0.62 121.76 127.48 1pfj s ALA 34 Ca 0.08 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1pfj s ALA 34 Cb -0.09 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1pfj s ALA 34 CO 0.01 -0.71 0.00 -0.35 0.00 0.00 0.00 175.76 174.71 1pfj n PRO 35 N -0.26 2.86 -3.44 0.00 -0.04 -1.26 0.22 135.00 133.07 1pfj n PRO 35 Ca -0.08 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.95 1pfj n PRO 35 Cb 0.63 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.06 1pfj n PRO 35 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1pfj s GLU 36 N 1.06 3.70 0.41 0.54 -6.30 -1.26 -4.58 118.70 112.28 1pfj s GLU 36 Ca 0.00 -3.00 0.00 0.00 -2.50 0.00 0.00 54.97 49.47 1pfj s GLU 36 Cb 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 34.13 29.82 1pfj s GLU 36 CO 0.00 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.44 1pfj n GLY 37 N 2.98 -1.64 1.10 -1.50 0.00 -1.26 -5.14 105.19 99.73 1pfj n GLY 37 Ca 0.19 0.32 -0.06 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.33 0.69 -2.27 1.61 5.02 -1.26 -5.03 118.16 113.60 1pfj n LYS 38 Ca 0.00 -0.84 -0.29 0.00 -2.02 0.00 0.00 58.31 55.16 1pfj n LYS 38 Cb 0.00 -0.12 0.01 0.00 -0.02 0.00 0.00 35.03 34.91 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 -2.88 5.33 0.00 4.39 5.75 -1.26 -4.98 116.55 122.91 1pfj n ASP 39 Ca 0.05 -3.75 0.00 0.00 -0.01 0.00 0.00 54.79 51.08 1pfj n ASP 39 Cb 0.17 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 1pfj n ASP 39 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1pfj n ARG 40 N -0.54 0.00 -4.61 0.11 1.85 -1.26 -5.18 116.66 107.03 1pfj n ARG 40 Ca 0.43 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 57.00 1pfj n ARG 40 Cb 0.64 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.97 1pfj n ARG 40 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1pfj s PHE 41 N 0.30 1.84 0.00 2.89 0.08 -1.26 -4.62 117.98 117.21 1pfj s PHE 41 Ca 0.00 -1.14 0.00 0.00 0.12 0.00 0.00 56.93 55.91 1pfj s PHE 41 Cb 0.00 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 41.10 1pfj s PHE 41 CO 0.00 -0.08 0.47 -2.37 -0.10 0.00 0.00 175.22 173.14 1pfj n THR 42 N -1.04 0.16 -3.63 0.64 5.66 2.71 -4.85 114.28 113.93 1pfj n THR 42 Ca -0.11 -0.44 -0.13 0.00 -3.05 0.00 0.00 64.05 60.32 1pfj n THR 42 Cb 0.66 1.14 -0.06 0.00 -1.55 0.00 0.00 70.33 70.52 1pfj n THR 42 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1pfj s ILE 43 N -0.16 0.04 -0.29 1.09 1.01 0.54 -4.79 121.20 118.64 1pfj s ILE 43 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1pfj s ILE 43 Cb 0.00 -0.95 0.20 0.00 0.01 0.00 0.00 42.46 41.72 1pfj s ILE 43 CO 0.00 -0.19 0.67 -0.94 0.00 0.00 0.00 174.94 174.48 1pfj s SER 44 N -1.92 -1.38 -0.28 3.58 1.04 -1.24 -1.78 113.70 111.71 1pfj s SER 44 Ca -0.06 0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.60 1pfj s SER 44 Cb -0.01 1.92 0.01 0.00 0.10 0.00 0.00 66.02 68.04 1pfj s SER 44 CO -0.01 -0.25 0.04 -1.00 0.98 0.00 0.00 173.24 173.00 1pfj s HIS 45 N 2.86 3.12 -0.14 5.02 0.09 0.12 -4.91 115.29 121.44 1pfj s HIS 45 Ca 0.14 -1.06 -0.29 0.00 -0.00 0.00 0.00 55.06 53.84 1pfj s HIS 45 Cb -0.10 -2.21 -0.05 0.00 -0.00 0.00 0.00 32.58 30.23 1pfj s HIS 45 CO -0.24 -0.59 1.88 -1.64 -0.00 0.00 0.00 174.74 174.14 1pfj s MET 46 N 1.47 3.73 0.33 1.40 -1.94 -1.26 -1.57 119.30 121.46 1pfj s MET 46 Ca 0.02 2.04 0.10 0.00 -1.71 0.00 0.00 55.69 56.15 1pfj s MET 46 Cb -0.17 -4.16 1.01 0.00 2.01 0.00 0.00 34.83 33.53 1pfj s MET 46 CO 0.01 -1.40 1.56 0.66 -0.01 0.00 0.00 175.02 175.84 1pfj n TYR 47 N 9.01 0.86 -0.15 -0.03 4.01 0.56 0.28 117.16 131.70 1pfj n TYR 47 Ca 0.22 1.19 -0.10 0.00 -0.16 0.00 0.00 57.90 59.04 1pfj n TYR 47 Cb 0.44 -1.39 -0.01 0.00 -0.31 0.00 0.00 39.34 38.07 1pfj n TYR 47 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pfj h ALA 48 N 1.99 0.59 0.00 -0.72 0.00 -1.88 -0.49 119.26 118.74 1pfj h ALA 48 Ca 0.71 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1pfj h ALA 48 Cb 1.68 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1pfj h ALA 48 CO -0.86 0.42 0.00 -0.25 0.00 0.00 0.00 179.25 178.56 1pfj n ASP 49 N -4.35 0.00 -4.06 0.00 9.92 0.79 -4.47 116.55 114.38 1pfj n ASP 49 Ca -0.00 0.23 -0.20 0.00 -0.53 0.00 0.00 54.79 54.28 1pfj n ASP 49 Cb 0.33 -0.27 -0.15 0.00 -0.64 0.00 0.00 41.12 40.39 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 -2.55 0.86 -0.27 0.53 1.01 0.90 -3.89 121.20 117.79 1pfj s ILE 50 Ca 0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 1pfj s ILE 50 Cb 0.02 -0.73 0.13 0.00 0.01 0.00 0.00 42.46 41.89 1pfj s ILE 50 CO 0.05 0.22 0.29 -0.75 0.00 0.00 0.00 174.94 174.74 1pfj s LYS 51 N -0.33 0.30 0.00 2.79 2.36 0.20 -4.70 119.74 120.36 1pfj s LYS 51 Ca 0.04 -0.00 0.00 0.00 -2.55 0.00 0.00 55.97 53.46 1pfj s LYS 51 Cb -0.04 -0.75 0.00 0.00 -1.05 0.00 0.00 37.83 35.99 1pfj s LYS 51 CO -0.00 -0.92 0.00 0.00 1.55 0.00 0.00 175.35 175.98 1pfj s GLN 53 N 0.00 0.04 -0.20 0.00 1.11 -1.26 -1.58 119.66 117.77 1pfj s GLN 53 Ca 0.00 0.55 -0.00 0.00 0.01 0.00 0.00 55.36 55.92 1pfj s GLN 53 Cb 0.00 -0.26 0.05 0.00 -1.01 0.00 0.00 33.01 31.79 1pfj s GLN 53 CO 0.00 -0.30 -0.04 0.21 0.01 0.00 0.00 175.29 175.17 1pfj s LYS 54 N 2.21 1.43 -0.37 2.91 2.20 -0.59 -5.03 119.74 122.51 1pfj s LYS 54 Ca 0.02 -0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 54.94 1pfj s LYS 54 Cb -0.12 -2.25 0.10 0.00 -1.51 0.00 0.00 37.83 34.04 1pfj s LYS 54 CO -0.06 -0.52 0.11 0.42 -0.36 0.00 0.00 175.35 174.95 1pfj s ILE 55 N 1.57 2.91 -0.71 5.43 1.09 -1.26 -2.01 121.20 128.22 1pfj s ILE 55 Ca -0.02 -2.01 0.05 0.00 -1.10 0.00 0.00 60.65 57.57 1pfj s ILE 55 Cb -0.17 -2.97 0.17 0.00 -1.06 0.00 0.00 42.46 38.43 1pfj s ILE 55 CO -0.07 -0.54 0.50 -0.44 -0.10 0.00 0.00 174.94 174.28 1pfj s SER 56 N 1.44 4.81 0.00 3.58 0.01 -1.26 -4.81 113.70 117.47 1pfj s SER 56 Ca 0.06 -3.87 0.02 0.00 1.31 0.00 0.00 55.95 53.47 1pfj s SER 56 Cb -0.21 -1.63 0.03 0.00 0.21 0.00 0.00 66.02 64.42 1pfj s SER 56 CO -0.05 -0.08 0.98 -0.81 0.41 0.00 0.00 173.24 173.70 1pfj n PRO 57 N 1.96 0.00 0.08 12.44 -0.05 -1.26 -4.54 135.00 143.63 1pfj n PRO 57 Ca 0.20 -1.01 -0.06 0.00 -0.05 0.00 0.00 63.50 62.58 1pfj n PRO 57 Cb 0.35 -0.44 -0.05 0.00 -0.05 0.00 0.00 33.50 33.31 1pfj n PRO 57 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 175.50 176.50 1pfj h GLU 58 N 0.06 0.00 -0.56 0.54 -0.00 -1.96 -3.35 114.58 109.31 1pfj h GLU 58 Ca -0.02 -0.00 -0.28 0.00 -0.00 0.00 0.00 59.36 59.07 1pfj h GLU 58 Cb 1.41 0.00 -0.35 0.00 -0.00 0.00 0.00 28.75 29.81 1pfj h GLU 58 CO 0.01 0.91 -1.00 0.41 -0.00 0.00 0.00 179.01 179.34 1pfj n GLY 59 N 1.09 1.67 0.00 1.06 0.00 -1.26 -5.10 105.19 102.64 1pfj n GLY 59 Ca -0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 2.02 0.00 1.61 4.76 -1.26 -5.04 118.16 119.76 1pfj n LYS 60 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1pfj n LYS 60 Cb 0.82 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.01 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 0.00 -2.67 7.82 0.00 -1.26 -4.59 120.51 116.80 1pfj n ALA 61 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1pfj n ALA 61 Cb 0.00 0.34 0.04 0.00 0.00 0.00 0.00 19.45 19.83 1pfj n ALA 61 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1pfj n LYS 62 N -2.10 0.43 -1.35 0.00 0.00 -1.26 -5.07 118.16 108.80 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 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 35.03 34.91 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 -0.26 -1.81 -4.41 0.58 0.13 -1.26 -4.48 119.36 107.85 1pfj n ILE 63 Ca -0.16 0.00 -0.19 0.00 -1.10 0.00 0.00 62.75 61.30 1pfj n ILE 63 Cb 0.71 -3.61 -0.14 0.00 -0.84 0.00 0.00 39.64 35.76 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 -0.74 0.85 0.25 9.51 -2.07 -1.26 -1.00 119.66 125.19 1pfj s GLN 64 Ca 0.00 -0.47 0.03 0.00 -1.82 0.00 0.00 55.36 53.10 1pfj s GLN 64 Cb 0.00 -0.82 -0.05 0.00 -1.09 0.00 0.00 33.01 31.05 1pfj s GLN 64 CO 0.00 0.22 0.02 -0.48 -1.32 0.00 0.00 175.29 173.73 1pfj s LEU 65 N -0.49 2.11 -0.04 2.60 -0.00 0.55 -4.03 118.68 119.38 1pfj s LEU 65 Ca 0.03 -1.26 -0.02 0.00 -0.00 0.00 0.00 54.13 52.87 1pfj s LEU 65 Cb -0.05 -0.24 0.02 0.00 -0.00 0.00 0.00 46.19 45.92 1pfj s LEU 65 CO -0.00 -0.56 0.09 -1.58 -0.00 0.00 0.00 176.35 174.30 1pfj s GLN 66 N -3.89 0.06 -0.03 1.48 0.74 -0.85 -1.83 119.66 115.35 1pfj s GLN 66 Ca 0.31 0.20 -0.02 0.00 0.05 0.00 0.00 55.36 55.90 1pfj s GLN 66 Cb 0.06 -0.09 0.01 0.00 1.10 0.00 0.00 33.01 34.10 1pfj s GLN 66 CO 0.10 -0.09 0.06 -1.17 -0.55 0.00 0.00 175.29 173.64 1pfj s LEU 67 N 0.60 1.60 0.26 3.68 2.96 -0.11 -1.54 118.68 126.14 1pfj s LEU 67 Ca -0.05 0.12 0.12 0.00 -0.22 0.00 0.00 54.13 54.10 1pfj s LEU 67 Cb -0.06 0.18 -0.05 0.00 0.50 0.00 0.00 46.19 46.76 1pfj s LEU 67 CO -0.02 -0.04 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.09 1pfj s VAL 68 N 0.25 2.57 0.09 1.68 1.01 -0.61 0.28 120.40 125.66 1pfj s VAL 68 Ca -0.02 -2.29 -0.12 0.00 0.00 0.00 0.00 61.98 59.55 1pfj s VAL 68 Cb -0.03 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.96 1pfj s VAL 68 CO -0.01 -0.35 0.44 -0.76 0.00 0.00 0.00 175.10 174.42 1pfj s LEU 69 N -3.39 4.36 0.52 3.92 2.01 0.31 0.62 118.68 127.03 1pfj s LEU 69 Ca 0.29 0.89 0.38 0.00 0.01 0.00 0.00 54.13 55.69 1pfj s LEU 69 Cb -0.06 -3.02 1.54 0.00 0.01 0.00 0.00 46.19 44.67 1pfj s LEU 69 CO 0.15 0.17 1.73 1.12 1.01 0.00 0.00 176.35 180.52 1pfj h HIS 70 N 3.77 0.12 0.00 0.29 2.07 -1.77 -3.34 115.15 116.29 1pfj h HIS 70 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 1pfj h HIS 70 Cb 1.20 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 31.14 1pfj h HIS 70 CO 0.66 -0.01 0.00 0.00 -3.07 0.00 0.00 177.93 175.51 1pfj n ALA 71 N -2.75 0.00 -2.40 6.11 0.00 -1.26 -4.92 120.51 115.28 1pfj n ALA 71 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 1pfj n ALA 71 Cb 1.42 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.88 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 3.04 5.87 3.06 0.00 0.00 -1.25 -4.99 105.19 110.92 1pfj n GLY 72 Ca 0.00 -2.70 -0.23 0.00 0.00 0.00 0.00 46.02 43.09 1pfj n GLY 72 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pfj s ASP 73 N -2.93 1.63 0.16 1.61 -4.77 -1.26 -4.97 116.67 106.14 1pfj s ASP 73 Ca 0.49 -0.26 0.06 0.00 -3.30 0.00 0.00 52.55 49.54 1pfj s ASP 73 Cb 0.39 -0.46 -0.04 0.00 -1.09 0.00 0.00 42.92 41.73 1pfj s ASP 73 CO -0.23 0.10 0.06 -0.89 0.70 0.00 0.00 175.17 174.91 1pfj s THR 74 N 0.15 4.10 -0.22 2.11 2.01 -1.26 0.11 115.64 122.64 1pfj s THR 74 Ca -0.04 -1.23 0.01 0.00 0.31 0.00 0.00 61.69 60.74 1pfj s THR 74 Cb -0.10 -3.07 0.05 0.00 0.01 0.00 0.00 72.50 69.39 1pfj s THR 74 CO 0.01 -0.09 -0.09 -0.89 -0.69 0.00 0.00 174.62 172.87 1pfj s THR 75 N -1.71 1.72 -0.11 -0.82 2.01 0.80 -4.94 115.64 112.59 1pfj s THR 75 Ca 0.29 -1.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.05 1pfj s THR 75 Cb -0.10 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1pfj s THR 75 CO 0.21 0.03 -0.05 0.20 -0.69 0.00 0.00 174.62 174.32 1pfj s ASN 76 N 1.33 4.78 0.02 3.53 -0.87 -1.26 -0.93 114.94 121.54 1pfj s ASN 76 Ca -0.05 -0.05 -0.01 0.00 -1.57 0.00 0.00 52.86 51.19 1pfj s ASN 76 Cb -0.18 -1.48 -0.02 0.00 -0.02 0.00 0.00 41.25 39.55 1pfj s ASN 76 CO -0.07 0.28 -0.01 -0.36 -2.57 0.00 0.00 177.10 174.37 1pfj s PHE 77 N -0.32 0.27 0.02 2.20 0.08 -0.76 -4.78 117.98 114.68 1pfj s PHE 77 Ca 0.05 -0.56 -0.06 0.00 0.12 0.00 0.00 56.93 56.49 1pfj s PHE 77 Cb -0.12 -0.20 -0.00 0.00 -0.57 0.00 0.00 43.02 42.12 1pfj s PHE 77 CO 0.02 -0.23 0.11 -1.58 -0.10 0.00 0.00 175.22 173.44 1pfj s HIS 78 N -1.78 0.12 0.07 0.36 5.65 0.52 -0.33 115.29 119.90 1pfj s HIS 78 Ca -0.13 -0.30 0.04 0.00 0.25 0.00 0.00 55.06 54.92 1pfj s HIS 78 Cb -0.07 -0.09 -0.04 0.00 -1.18 0.00 0.00 32.58 31.19 1pfj s HIS 78 CO -0.02 -0.31 -0.01 -0.06 -0.65 0.00 0.00 174.74 173.70 1pfj s PHE 79 N -1.83 2.99 -0.30 3.88 0.08 -0.17 0.26 117.98 122.89 1pfj s PHE 79 Ca -0.11 -0.01 -0.17 0.00 0.12 0.00 0.00 56.93 56.76 1pfj s PHE 79 Cb -0.06 -1.56 0.17 0.00 -0.57 0.00 0.00 43.02 41.01 1pfj s PHE 79 CO -0.01 0.47 1.18 0.45 -0.10 0.00 0.00 175.22 177.21 1pfj s SER 80 N -2.15 -0.20 0.16 1.36 0.15 -1.26 -4.76 113.70 107.00 1pfj s SER 80 Ca 0.24 0.13 -0.00 0.00 0.70 0.00 0.00 55.95 57.03 1pfj s SER 80 Cb -0.12 1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 65.32 1pfj s SER 80 CO 0.16 -0.04 0.05 0.20 1.20 0.00 0.00 173.24 174.82 1pfj s ASN 81 N 2.91 0.59 0.56 5.45 0.02 -1.26 -4.76 114.94 118.44 1pfj s ASN 81 Ca -0.07 -1.23 0.35 0.00 -1.02 0.00 0.00 52.86 50.89 1pfj s ASN 81 Cb -0.08 0.25 1.47 0.00 0.02 0.00 0.00 41.25 42.91 1pfj s ASN 81 CO -0.09 -0.70 1.74 1.05 0.02 0.00 0.00 177.10 179.12 1pfj h GLU 82 N 2.76 0.00 0.00 -0.60 4.11 -2.03 -3.11 114.58 115.72 1pfj h GLU 82 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1pfj h GLU 82 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1pfj h GLU 82 CO 0.59 0.00 -0.21 0.43 0.07 0.00 0.00 179.01 179.90 1pfj n SER 83 N -3.93 0.00 -0.69 3.06 7.64 -1.26 -4.88 113.62 113.55 1pfj n SER 83 Ca 0.23 -1.42 0.04 0.00 1.01 0.00 0.00 58.87 58.73 1pfj n SER 83 Cb 1.22 -0.08 0.20 0.00 -1.01 0.00 0.00 64.21 64.54 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 2.26 -1.41 0.44 -1.04 -1.17 -4.72 114.28 108.63 1pfj n THR 84 Ca 0.00 -3.22 -0.28 0.00 -2.04 0.00 0.00 64.05 58.52 1pfj n THR 84 Cb 0.58 -0.27 -0.01 0.00 -1.82 0.00 0.00 70.33 68.82 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 -1.11 6.17 -2.45 2.41 0.00 -1.26 -3.92 120.51 120.35 1pfj n ALA 85 Ca 0.21 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.69 1pfj n ALA 85 Cb 0.73 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 0.35 0.00 0.22 0.00 0.31 -1.26 -4.86 118.33 113.09 1pfj n VAL 86 Ca 0.47 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.89 1pfj n VAL 86 Cb 0.52 0.00 0.48 0.00 -0.91 0.00 0.00 33.84 33.92 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 0.00 0.00 5.55 1.57 -1.95 0.11 116.57 121.84 1pfj h LYS 87 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pfj h LYS 87 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1pfj h LYS 87 CO 0.00 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.27 1pfj n GLU 88 N -2.31 0.00 0.05 3.15 1.02 -1.26 -0.43 120.64 120.86 1pfj n GLU 88 Ca -0.01 0.39 -0.05 0.00 -0.02 0.00 0.00 57.16 57.46 1pfj n GLU 88 Cb 0.36 -1.32 0.14 0.00 -0.02 0.00 0.00 31.44 30.61 1pfj n GLU 88 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pfj h ARG 89 N 0.00 0.38 -0.90 3.49 2.47 -1.60 -2.44 114.38 115.79 1pfj h ARG 89 Ca 0.00 -0.21 0.19 0.00 -1.26 0.00 0.00 59.98 58.71 1pfj h ARG 89 Cb 0.00 0.01 -0.17 0.00 -1.65 0.00 0.00 29.97 28.16 1pfj h ARG 89 CO 0.00 0.77 -0.16 0.22 0.56 0.00 0.00 179.97 181.37 1pfj h ASP 90 N 0.31 -0.72 0.29 7.04 3.58 -0.69 2.37 116.42 128.60 1pfj h ASP 90 Ca 0.02 0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 1pfj h ASP 90 Cb 0.94 0.52 -0.02 0.00 1.72 0.00 0.00 39.33 42.50 1pfj h ASP 90 CO 0.08 -0.29 -0.26 0.00 -2.88 0.00 0.00 179.24 175.89 1pfj h ALA 91 N 1.89 -0.56 -0.98 -0.78 0.00 -0.26 0.14 119.26 118.72 1pfj h ALA 91 Ca 0.46 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.43 1pfj h ALA 91 Cb 0.76 0.36 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 1pfj h ALA 91 CO -0.90 -0.84 -0.40 0.28 0.00 0.00 0.00 179.25 177.39 1pfj h VAL 92 N -0.57 0.01 -0.46 0.00 2.07 0.38 2.27 116.25 119.95 1pfj h VAL 92 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1pfj h VAL 92 Cb 0.51 0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.20 1pfj h VAL 92 CO -0.03 0.00 -0.17 0.50 0.02 0.00 0.00 177.57 177.89 1pfj h LYS 93 N -0.01 -0.07 -0.71 1.57 3.64 0.18 0.04 116.57 121.21 1pfj h LYS 93 Ca 0.33 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.78 1pfj h LYS 93 Cb 0.59 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.34 1pfj h LYS 93 CO -0.97 -0.05 -0.42 -3.47 -2.27 0.00 0.00 179.45 172.27 1pfj n ASP 94 N -5.38 -0.75 -0.34 4.20 -0.08 0.75 0.90 116.55 115.86 1pfj n ASP 94 Ca 0.04 1.55 -0.06 0.00 -1.51 0.00 0.00 54.79 54.81 1pfj n ASP 94 Cb 0.28 -0.31 -0.02 0.00 2.34 0.00 0.00 41.12 43.42 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 -1.65 -0.17 -2.67 3.38 0.54 0.25 115.31 114.99 1pfj h LEU 95 Ca 0.11 0.30 0.02 0.00 0.09 0.00 0.00 57.88 58.40 1pfj h LEU 95 Cb 0.29 0.79 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1pfj h LEU 95 CO -0.67 -0.29 -0.10 0.18 0.09 0.00 0.00 178.44 177.65 1pfj n LEU 96 N -5.39 -0.18 0.00 1.67 4.77 0.26 0.32 117.00 118.45 1pfj n LEU 96 Ca 0.05 1.04 0.07 0.00 -0.03 0.00 0.00 56.01 57.14 1pfj n LEU 96 Cb 0.35 -0.41 0.40 0.00 -2.33 0.00 0.00 43.42 41.42 1pfj n LEU 96 CO -0.10 -0.62 0.64 0.00 -1.33 0.00 0.00 177.39 175.97 1pfj n GLN 97 N -3.33 0.38 0.01 3.23 0.00 -0.45 -1.19 117.38 116.02 1pfj n GLN 97 Ca 0.00 0.04 -0.16 0.00 0.00 0.00 0.00 57.00 56.88 1pfj n GLN 97 Cb 0.04 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.64 1pfj n GLN 97 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1pfj h GLN 98 N 0.00 0.18 0.00 2.61 4.15 0.86 -3.35 115.11 119.56 1pfj h GLN 98 Ca 0.00 -0.31 -0.14 0.00 0.77 0.00 0.00 58.65 58.97 1pfj h GLN 98 Cb 0.03 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1pfj h GLN 98 CO 0.00 0.97 -1.19 -0.07 -1.93 0.00 0.00 178.83 176.60 1pfj h LEU 99 N 0.05 0.00 -1.39 -2.39 4.07 0.91 -3.33 115.31 113.23 1pfj h LEU 99 Ca -0.35 0.00 0.41 0.00 0.08 0.00 0.00 57.88 58.02 1pfj h LEU 99 Cb 2.03 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 43.64 1pfj h LEU 99 CO 0.10 0.51 0.82 0.25 -1.08 0.00 0.00 178.44 179.03 1pfj h LEU 100 N 0.00 0.27 0.00 1.67 6.46 -1.29 3.60 115.31 126.02 1pfj h LEU 100 Ca -0.12 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1pfj h LEU 100 Cb 1.49 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.53 1pfj h LEU 100 CO 0.05 -0.15 0.00 -2.65 -0.62 0.00 0.00 178.44 175.07 1pfj n PRO 101 N -4.70 0.75 -0.12 5.25 -0.02 -1.25 -3.62 135.00 131.29 1pfj n PRO 101 Ca 0.35 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.62 1pfj n PRO 101 Cb 1.35 -1.28 -0.12 0.00 -0.02 0.00 0.00 33.50 33.43 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 -0.78 0.64 0.00 -0.52 4.81 1.19 -4.33 118.16 119.17 1pfj n LYS 102 Ca 0.10 0.20 0.07 0.00 -0.87 0.00 0.00 58.31 57.82 1pfj n LYS 102 Cb 0.05 -1.54 0.35 0.00 0.02 0.00 0.00 35.03 33.91 1pfj n LYS 102 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1pfj n PHE 103 N -3.58 0.00 -1.33 5.64 3.72 -1.23 -4.56 117.46 116.12 1pfj n PHE 103 Ca -0.47 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 56.90 1pfj n PHE 103 Cb 0.96 -0.33 0.02 0.00 -0.94 0.00 0.00 39.48 39.19 1pfj n PHE 103 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1pfj n LYS 104 N -1.33 -0.00 -0.24 -1.08 4.01 -1.26 -4.83 118.16 113.42 1pfj n LYS 104 Ca 0.06 -0.23 0.00 0.00 -0.51 0.00 0.00 58.31 57.63 1pfj n LYS 104 Cb 0.12 -0.13 0.00 0.00 -0.51 0.00 0.00 35.03 34.51 1pfj n LYS 104 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1pfj n ARG 105 N -1.28 2.58 -0.49 1.97 5.12 -1.26 -5.04 116.66 118.25 1pfj n ARG 105 Ca 0.02 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.97 1pfj n ARG 105 Cb 0.06 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.40 1pfj n ARG 105 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1pfj n LYS 106 N -0.22 0.36 -0.12 5.56 5.02 -1.26 -4.81 118.16 122.70 1pfj n LYS 106 Ca 0.00 -1.55 -0.20 0.00 -2.02 0.00 0.00 58.31 54.54 1pfj n LYS 106 Cb 0.00 -0.73 -0.10 0.00 -0.02 0.00 0.00 35.03 34.18 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 -0.34 1.46 -0.64 7.82 0.00 -1.26 -5.31 120.51 122.24 1pfj n ALA 107 Ca 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1pfj n ALA 107 Cb 0.73 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.22 1pfj n ALA 107 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79