#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfw n GLU 2 N 0.00 0.54 -1.72 2.12 2.13 -1.25 -4.70 120.64 117.76 1jfw n GLU 2 Ca 0.00 0.22 -0.41 0.00 0.66 0.00 0.00 57.16 57.63 1jfw n GLU 2 Cb 0.00 -1.42 -0.01 0.00 0.27 0.00 0.00 31.44 30.28 1jfw n GLU 2 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1jfw n PRO 3 N -4.36 3.33 -0.06 5.31 -0.04 -1.23 -4.76 135.00 133.19 1jfw n PRO 3 Ca -0.27 -2.68 -0.05 0.00 -0.04 0.00 0.00 63.50 60.45 1jfw n PRO 3 Cb 0.63 -3.05 -0.04 0.00 -0.04 0.00 0.00 33.50 31.00 1jfw n PRO 3 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1jfw h VAL 4 N 3.58 0.53 -2.65 0.52 2.07 -1.84 -3.38 116.25 115.09 1jfw h VAL 4 Ca 0.64 -1.42 -0.55 0.00 0.82 0.00 0.00 66.70 66.19 1jfw h VAL 4 Cb 0.51 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1jfw h VAL 4 CO 1.80 0.18 1.06 -1.81 0.02 0.00 0.00 177.57 178.82 1jfw s ASP 5 N -5.81 6.69 -0.61 0.57 1.11 -1.26 -4.94 116.67 112.42 1jfw s ASP 5 Ca -0.08 2.21 -0.28 0.00 0.18 0.00 0.00 52.55 54.59 1jfw s ASP 5 Cb -0.00 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.48 1jfw s ASP 5 CO 0.24 -0.90 1.27 -2.16 1.18 0.00 0.00 175.17 174.79 1jfw s PRO 6 N 3.84 3.38 -0.40 8.23 0.04 -1.26 -4.48 135.00 144.35 1jfw s PRO 6 Ca 0.72 0.19 0.10 0.00 0.04 0.00 0.00 61.00 62.05 1jfw s PRO 6 Cb -0.33 -4.08 0.34 0.00 0.04 0.00 0.00 34.50 30.47 1jfw s PRO 6 CO 0.29 -1.86 0.91 -2.13 0.04 0.00 0.00 177.00 174.25 1jfw n ARG 7 N 8.72 1.00 -3.44 4.56 0.63 -1.26 -4.77 116.66 122.10 1jfw n ARG 7 Ca 0.08 -2.76 -0.37 0.00 -0.92 0.00 0.00 57.85 53.88 1jfw n ARG 7 Cb 0.49 -1.37 -0.06 0.00 0.45 0.00 0.00 32.46 31.97 1jfw n ARG 7 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1jfw s LEU 8 N -2.42 4.29 0.38 6.15 1.43 -1.26 -4.84 118.68 122.40 1jfw s LEU 8 Ca 0.32 0.70 0.12 0.00 -1.03 0.00 0.00 54.13 54.24 1jfw s LEU 8 Cb 0.33 -2.54 0.91 0.00 0.03 0.00 0.00 46.19 44.93 1jfw s LEU 8 CO -0.06 0.09 1.88 1.05 0.23 0.00 0.00 176.35 179.53 1jfw h GLU 9 N 6.43 0.57 -5.58 1.70 9.09 -2.03 -3.24 114.58 121.52 1jfw h GLU 9 Ca -0.43 -0.03 -0.36 0.00 0.05 0.00 0.00 59.36 58.59 1jfw h GLU 9 Cb 1.18 -0.13 -0.05 0.00 -1.65 0.00 0.00 28.75 28.10 1jfw h GLU 9 CO 0.74 0.38 1.12 -1.25 0.05 0.00 0.00 179.01 180.04 1jfw s PRO 10 N -5.58 2.68 -1.29 1.06 0.04 -1.26 -4.93 135.00 125.72 1jfw s PRO 10 Ca -0.09 -1.07 -0.15 0.00 0.04 0.00 0.00 61.00 59.73 1jfw s PRO 10 Cb 0.22 -5.24 0.12 0.00 0.04 0.00 0.00 34.50 29.64 1jfw s PRO 10 CO 0.78 -3.64 1.71 1.87 0.04 0.00 0.00 177.00 177.76 1jfw n TRP 11 N 13.56 4.41 -3.03 0.56 -0.00 -1.22 -4.63 117.44 127.09 1jfw n TRP 11 Ca 0.44 -3.04 -0.26 0.00 -0.00 0.00 0.00 57.50 54.64 1jfw n TRP 11 Cb 0.47 -2.38 -0.04 0.00 -0.00 0.00 0.00 31.31 29.36 1jfw n TRP 11 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1jfw n LYS 12 N 6.51 2.93 -3.71 5.87 4.81 -1.26 -5.03 118.16 128.28 1jfw n LYS 12 Ca 0.44 -4.70 -0.28 0.00 -0.87 0.00 0.00 58.31 52.90 1jfw n LYS 12 Cb 0.43 -2.18 -0.12 0.00 0.02 0.00 0.00 35.03 33.17 1jfw n LYS 12 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1jfw s HIS 13 N -3.23 2.36 0.12 5.64 2.46 -1.26 -4.62 115.29 116.76 1jfw s HIS 13 Ca 0.47 -2.74 -0.13 0.00 0.47 0.00 0.00 55.06 53.12 1jfw s HIS 13 Cb 0.27 -1.98 -0.07 0.00 -0.13 0.00 0.00 32.58 30.67 1jfw s HIS 13 CO -0.12 -0.71 1.44 -1.00 -2.47 0.00 0.00 174.74 171.88 1jfw h PRO 14 N 6.04 0.80 0.00 2.88 0.13 -1.83 -3.46 132.00 136.56 1jfw h PRO 14 Ca 0.10 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1jfw h PRO 14 Cb 0.87 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1jfw h PRO 14 CO 0.54 1.05 0.00 0.41 -0.23 0.00 0.00 178.00 179.77 1jfw n GLY 15 N 0.14 2.32 3.55 1.56 0.00 -1.26 -4.65 105.19 106.85 1jfw n GLY 15 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1jfw n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jfw s SER 16 N -4.00 -1.04 0.00 1.61 0.01 -1.26 -4.71 113.70 104.31 1jfw s SER 16 Ca 0.00 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.60 1jfw s SER 16 Cb 0.00 2.15 0.00 0.00 0.21 0.00 0.00 66.02 68.38 1jfw s SER 16 CO 0.00 -0.20 0.00 1.67 0.41 0.00 0.00 173.24 175.12 1jfw n GLN 17 N 5.35 0.00 -1.81 12.44 -0.06 -1.26 -4.69 117.38 127.35 1jfw n GLN 17 Ca -0.10 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.51 1jfw n GLN 17 Cb 0.50 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.65 1jfw n GLN 17 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1jfw n PRO 18 N -2.23 2.18 -2.74 3.69 -0.04 -1.26 -4.97 135.00 129.63 1jfw n PRO 18 Ca 0.00 -2.47 -0.43 0.00 -0.04 0.00 0.00 63.50 60.56 1jfw n PRO 18 Cb 0.00 -3.33 -0.04 0.00 -0.04 0.00 0.00 33.50 30.10 1jfw n PRO 18 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1jfw s LYS 19 N 4.81 3.40 0.00 0.54 2.20 -1.26 -0.73 119.74 128.70 1jfw s LYS 19 Ca 0.57 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 1jfw s LYS 19 Cb 0.08 -4.04 0.00 0.00 -1.51 0.00 0.00 37.83 32.37 1jfw s LYS 19 CO 0.07 -1.55 0.00 2.41 -0.36 0.00 0.00 175.35 175.92 1jfw n THR 20 N 6.38 0.00 -2.02 3.43 -1.04 -1.26 -4.97 114.28 114.79 1jfw n THR 20 Ca 0.04 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.63 1jfw n THR 20 Cb 0.48 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 1jfw n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jfw n ALA 21 N -1.70 5.30 -0.86 2.41 0.00 -1.26 -4.82 120.51 119.58 1jfw n ALA 21 Ca 0.00 -4.03 0.00 0.00 0.00 0.00 0.00 53.44 49.41 1jfw n ALA 21 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 19.45 16.09 1jfw n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jfw s THR 23 N 0.00 -0.57 0.00 0.00 -1.32 -1.26 -4.50 115.64 107.99 1jfw s THR 23 Ca 0.00 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 1jfw s THR 23 Cb 0.00 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 1jfw s THR 23 CO 0.00 -0.31 0.00 0.41 -2.21 0.00 0.00 174.62 172.51 1jfw n THR 24 N 5.34 0.00 -3.38 5.08 -1.04 0.09 -4.06 114.28 116.32 1jfw n THR 24 Ca -0.01 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.85 1jfw n THR 24 Cb 0.49 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.91 1jfw n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jfw n TYR 26 N 5.23 -1.92 0.00 0.00 4.02 -0.01 -1.68 117.16 122.81 1jfw n TYR 26 Ca -0.00 0.68 0.00 0.00 -0.01 0.00 0.00 57.90 58.56 1jfw n TYR 26 Cb 0.47 -3.70 0.00 0.00 -0.02 0.00 0.00 39.34 36.08 1jfw n TYR 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jfw h LYS 28 N 0.00 0.00 0.00 0.00 2.10 -1.89 -2.29 116.57 114.49 1jfw h LYS 28 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1jfw h LYS 28 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1jfw h LYS 28 CO 0.00 0.46 -0.01 0.87 -2.00 0.00 0.00 179.45 178.76 1jfw h LYS 29 N 0.00 0.00 -2.66 0.07 1.79 -1.68 -3.45 116.57 110.63 1jfw h LYS 29 Ca -0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.86 1jfw h LYS 29 Cb 0.91 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.16 1jfw h LYS 29 CO 0.06 0.00 -0.82 0.00 -1.08 0.00 0.00 179.45 177.61 1jfw n PHE 32 N -1.22 0.00 -2.51 0.00 3.72 -0.86 -4.55 117.46 112.04 1jfw n PHE 32 Ca 0.01 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.18 1jfw n PHE 32 Cb 0.46 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.06 1jfw n PHE 32 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1jfw s HIS 33 N 0.00 2.51 0.00 1.38 3.76 -1.26 -4.06 115.29 117.62 1jfw s HIS 33 Ca 0.00 0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 1jfw s HIS 33 Cb 0.00 -2.94 0.00 0.00 1.11 0.00 0.00 32.58 30.75 1jfw s HIS 33 CO 0.00 -1.25 0.38 0.00 -0.85 0.00 0.00 174.74 173.02 1jfw n GLN 35 N -0.97 0.47 -2.52 0.00 6.02 -1.26 -0.83 117.38 118.29 1jfw n GLN 35 Ca 0.00 -3.08 -0.43 0.00 -0.01 0.00 0.00 57.00 53.48 1jfw n GLN 35 Cb 0.00 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 29.83 1jfw n GLN 35 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1jfw n VAL 36 N 2.12 4.30 -0.07 5.09 3.14 -1.26 -4.83 118.33 126.83 1jfw n VAL 36 Ca 0.24 -4.48 -0.04 0.00 -2.96 0.00 0.00 64.34 57.10 1jfw n VAL 36 Cb 0.51 -2.39 -0.01 0.00 -1.06 0.00 0.00 33.84 30.89 1jfw n VAL 36 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1jfw n PHE 38 N -4.44 0.00 -0.16 0.00 3.72 -1.26 -4.55 117.46 110.77 1jfw n PHE 38 Ca -0.07 0.00 0.25 0.00 -0.05 0.00 0.00 57.45 57.58 1jfw n PHE 38 Cb 0.25 0.00 0.67 0.00 -0.94 0.00 0.00 39.48 39.45 1jfw n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jfw h THR 39 N 0.00 0.61 -0.20 4.37 1.03 -1.82 -3.03 112.91 113.87 1jfw h THR 39 Ca 0.00 -0.03 0.06 0.00 -0.01 0.00 0.00 66.41 66.43 1jfw h THR 39 Cb 0.00 0.50 -0.01 0.00 -1.07 0.00 0.00 68.15 67.58 1jfw h THR 39 CO 0.00 0.02 0.20 0.74 -0.01 0.00 0.00 175.52 176.46 1jfw h THR 40 N 0.10 0.57 0.00 0.00 2.02 -1.85 -3.28 112.91 110.47 1jfw h THR 40 Ca 0.41 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.59 1jfw h THR 40 Cb 1.46 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1jfw h THR 40 CO -0.05 0.00 -0.75 0.29 0.37 0.00 0.00 175.52 175.38 1jfw n LYS 41 N -3.97 0.40 -0.05 6.66 5.02 -1.14 -4.79 118.16 120.28 1jfw n LYS 41 Ca 0.02 0.16 -0.06 0.00 -2.02 0.00 0.00 58.31 56.40 1jfw n LYS 41 Cb 0.33 -1.19 -0.02 0.00 -0.02 0.00 0.00 35.03 34.13 1jfw n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jfw n ALA 42 N -4.09 1.48 -3.51 7.82 0.00 -1.24 -3.46 120.51 117.50 1jfw n ALA 42 Ca -0.10 -0.58 -0.42 0.00 0.00 0.00 0.00 53.44 52.33 1jfw n ALA 42 Cb 0.39 0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 1jfw n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jfw s LEU 43 N -7.63 6.04 0.00 0.00 1.43 -1.26 -3.50 118.68 113.76 1jfw s LEU 43 Ca -0.21 -2.85 -0.09 0.00 -1.03 0.00 0.00 54.13 49.96 1jfw s LEU 43 Cb 0.03 -2.04 0.04 0.00 0.03 0.00 0.00 46.19 44.24 1jfw s LEU 43 CO 0.31 -0.46 0.54 0.61 0.23 0.00 0.00 176.35 177.58 1jfw n GLY 44 N 3.64 1.45 0.05 -3.19 0.00 -1.08 -4.26 105.19 101.79 1jfw n GLY 44 Ca 0.12 -1.25 -0.02 0.00 0.00 0.00 0.00 46.02 44.87 1jfw n GLY 44 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jfw h ILE 45 N 1.73 0.00 -0.89 -0.61 2.04 -1.82 -3.33 117.51 114.63 1jfw h ILE 45 Ca -0.24 -0.10 -0.56 0.00 1.00 0.00 0.00 64.86 64.97 1jfw h ILE 45 Cb 0.90 0.00 -0.26 0.00 -0.74 0.00 0.00 36.82 36.71 1jfw h ILE 45 CO 0.30 0.00 0.71 -1.54 0.00 0.00 0.00 178.15 177.63 1jfw n SER 46 N -2.56 6.13 -3.52 1.72 3.41 -1.26 -4.07 113.62 113.47 1jfw n SER 46 Ca -0.01 -3.57 -0.17 0.00 -0.26 0.00 0.00 58.87 54.86 1jfw n SER 46 Cb 0.04 -0.93 -0.13 0.00 -0.26 0.00 0.00 64.21 62.93 1jfw n SER 46 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1jfw s TYR 47 N -3.24 -0.33 0.00 7.33 2.02 -1.25 -4.85 117.35 117.02 1jfw s TYR 47 Ca 0.55 0.42 0.00 0.00 -0.37 0.00 0.00 57.07 57.67 1jfw s TYR 47 Cb 0.44 -0.27 0.00 0.00 -0.40 0.00 0.00 41.96 41.73 1jfw s TYR 47 CO 0.03 -0.55 0.00 0.41 -1.57 0.00 0.00 175.55 173.87 1jfw n GLY 48 N 5.33 1.68 0.19 0.71 0.00 -1.23 -2.62 105.19 109.25 1jfw n GLY 48 Ca -0.05 0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 1jfw n GLY 48 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jfw h ARG 49 N 0.00 -0.39 0.00 1.61 -0.00 -1.80 -3.48 114.38 110.32 1jfw h ARG 49 Ca 0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 1jfw h ARG 49 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.06 1jfw h ARG 49 CO 0.00 -0.26 0.00 0.36 0.00 0.00 0.00 179.97 180.07 1jfw n LYS 50 N -4.63 0.00 -2.84 0.04 2.85 -1.25 -4.35 118.16 107.97 1jfw n LYS 50 Ca -0.05 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.93 1jfw n LYS 50 Cb 0.16 -0.08 -0.03 0.00 -0.65 0.00 0.00 35.03 34.43 1jfw n LYS 50 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1jfw n LYS 51 N 0.00 3.42 -3.69 -1.58 4.76 -1.26 -3.81 118.16 116.00 1jfw n LYS 51 Ca 0.00 -4.78 -0.36 0.00 -2.87 0.00 0.00 58.31 50.30 1jfw n LYS 51 Cb 0.00 -2.26 -0.08 0.00 -1.84 0.00 0.00 35.03 30.85 1jfw n LYS 51 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1jfw s ARG 52 N -3.56 4.16 -1.32 1.97 6.06 -1.26 -5.01 118.95 119.99 1jfw s ARG 52 Ca 0.48 -0.21 -0.13 0.00 -2.50 0.00 0.00 55.73 53.37 1jfw s ARG 52 Cb 0.29 -3.46 0.12 0.00 0.06 0.00 0.00 34.95 31.96 1jfw s ARG 52 CO -0.15 0.22 1.87 -2.13 -2.50 0.00 0.00 175.30 172.60 1jfw n ARG 53 N 3.78 3.29 -3.66 5.12 3.00 -1.26 -3.51 116.66 123.41 1jfw n ARG 53 Ca -0.15 -3.29 -0.09 0.00 -0.00 0.00 0.00 57.85 54.31 1jfw n ARG 53 Cb 0.52 -3.14 -0.08 0.00 0.00 0.00 0.00 32.46 29.75 1jfw n ARG 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1jfw s GLN 54 N 2.02 0.60 0.00 -0.14 2.00 -1.26 -5.09 119.66 117.79 1jfw s GLN 54 Ca 0.45 1.03 0.00 0.00 -2.00 0.00 0.00 55.36 54.84 1jfw s GLN 54 Cb 0.07 0.10 0.00 0.00 0.80 0.00 0.00 33.01 33.99 1jfw s GLN 54 CO -0.01 -0.15 0.00 0.54 -0.50 0.00 0.00 175.29 175.17 1jfw n ARG 55 N 4.13 0.00 -3.57 1.67 1.74 -1.26 -4.51 116.66 114.86 1jfw n ARG 55 Ca -0.20 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.67 1jfw n ARG 55 Cb 0.57 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.06 1jfw n ARG 55 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1jfw n ARG 56 N -2.17 -4.29 -3.52 5.56 0.63 -1.26 -4.32 116.66 107.29 1jfw n ARG 56 Ca 0.00 0.69 -0.20 0.00 -0.92 0.00 0.00 57.85 57.41 1jfw n ARG 56 Cb 0.00 -5.28 0.00 0.00 0.45 0.00 0.00 32.46 27.63 1jfw n ARG 56 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1jfw n ARG 57 N -4.05 -0.85 -0.03 -0.14 0.63 -1.26 -4.97 116.66 105.99 1jfw n ARG 57 Ca -0.23 0.29 -0.10 0.00 -0.92 0.00 0.00 57.85 56.88 1jfw n ARG 57 Cb 0.66 -1.35 -0.04 0.00 0.45 0.00 0.00 32.46 32.17 1jfw n ARG 57 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1jfw h PRO 58 N -0.05 0.19 -3.95 -0.14 0.13 -1.86 -3.29 132.00 123.03 1jfw h PRO 58 Ca -0.43 -0.01 -0.71 0.00 -0.87 0.00 0.00 66.00 63.98 1jfw h PRO 58 Cb 0.90 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.93 1jfw h PRO 58 CO 0.26 0.13 3.03 -0.35 -0.23 0.00 0.00 178.00 180.84 1jfw n PRO 59 N -4.99 2.93 -1.49 1.56 -0.04 -1.26 -2.76 135.00 128.94 1jfw n PRO 59 Ca -0.04 -2.69 -0.39 0.00 -0.04 0.00 0.00 63.50 60.34 1jfw n PRO 59 Cb 0.03 -3.26 -0.02 0.00 -0.04 0.00 0.00 33.50 30.22 1jfw n PRO 59 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1jfw n GLN 60 N 5.89 3.89 0.00 0.54 7.27 -1.24 -4.22 117.38 129.51 1jfw n GLN 60 Ca 0.51 -2.52 0.00 0.00 0.07 0.00 0.00 57.00 55.06 1jfw n GLN 60 Cb 0.39 -2.78 0.00 0.00 2.41 0.00 0.00 30.24 30.26 1jfw n GLN 60 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1jfw n GLY 61 N 3.15 1.68 0.00 1.69 0.00 -1.26 -5.04 105.19 105.41 1jfw n GLY 61 Ca 0.74 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1jfw n GLY 61 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jfw n SER 62 N 0.00 0.00 -4.74 1.61 2.88 -1.26 -5.02 113.62 107.09 1jfw n SER 62 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1jfw n SER 62 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1jfw n SER 62 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1jfw s GLN 63 N 1.02 2.67 0.00 -1.46 -0.21 -1.23 -4.80 119.66 115.65 1jfw s GLN 63 Ca 0.00 -1.10 0.00 0.00 0.02 0.00 0.00 55.36 54.28 1jfw s GLN 63 Cb 0.00 -2.45 0.00 0.00 1.00 0.00 0.00 33.01 31.56 1jfw s GLN 63 CO 0.00 0.42 0.00 0.25 -2.12 0.00 0.00 175.29 173.84 1jfw n THR 64 N -0.70 0.00 0.00 -0.19 -2.24 -1.26 -4.44 114.28 105.45 1jfw n THR 64 Ca -0.08 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1jfw n THR 64 Cb 0.57 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 1jfw n THR 64 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jfw n HIS 65 N -1.54 0.00 -3.19 4.78 8.25 -1.26 -1.71 115.22 120.55 1jfw n HIS 65 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 1jfw n HIS 65 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1jfw n HIS 65 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1jfw n GLN 66 N 0.00 0.91 0.00 -0.41 7.27 -1.25 -4.35 117.38 119.56 1jfw n GLN 66 Ca 0.00 -3.36 0.00 0.00 0.07 0.00 0.00 57.00 53.71 1jfw n GLN 66 Cb 0.00 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.20 1jfw n GLN 66 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1jfw n VAL 67 N 0.95 0.00 -1.05 1.69 0.31 -0.69 -4.63 118.33 114.91 1jfw n VAL 67 Ca 0.23 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 1jfw n VAL 67 Cb 0.57 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 1jfw n VAL 67 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1jfw n SER 68 N -1.83 -6.14 -4.55 4.52 3.41 -1.26 -4.85 113.62 102.91 1jfw n SER 68 Ca 0.00 0.77 -0.39 0.00 -0.26 0.00 0.00 58.87 59.00 1jfw n SER 68 Cb 0.00 -2.50 -0.03 0.00 -0.26 0.00 0.00 64.21 61.42 1jfw n SER 68 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1jfw s LEU 69 N -1.91 3.28 0.00 1.04 0.20 -1.11 -4.32 118.68 115.86 1jfw s LEU 69 Ca 0.00 0.29 0.00 0.00 0.69 0.00 0.00 54.13 55.11 1jfw s LEU 69 Cb 0.00 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 43.21 1jfw s LEU 69 CO 0.00 -2.33 0.00 -1.54 -0.29 0.00 0.00 176.35 172.19 1jfw n SER 70 N 12.49 0.00 -3.73 3.68 3.41 -1.26 -5.06 113.62 123.15 1jfw n SER 70 Ca 0.19 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.51 1jfw n SER 70 Cb 0.52 0.17 -0.16 0.00 -0.26 0.00 0.00 64.21 64.48 1jfw n SER 70 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1jfw s LYS 71 N -0.42 0.69 0.02 4.33 2.20 -1.26 -5.10 119.74 120.19 1jfw s LYS 71 Ca 0.00 -0.74 -0.26 0.00 -0.36 0.00 0.00 55.97 54.61 1jfw s LYS 71 Cb 0.00 -1.99 -0.17 0.00 -1.51 0.00 0.00 37.83 34.16 1jfw s LYS 71 CO 0.00 -0.82 1.31 1.96 -0.36 0.00 0.00 175.35 177.43 1jfw h GLN 72 N 8.18 -0.47 -3.26 4.03 1.08 -1.88 -3.27 115.11 119.52 1jfw h GLN 72 Ca -0.16 0.03 -0.70 0.00 -1.45 0.00 0.00 58.65 56.38 1jfw h GLN 72 Cb 1.06 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.57 1jfw h GLN 72 CO 0.41 -0.18 3.28 -0.35 -0.95 0.00 0.00 178.83 181.04 1jfw n PRO 73 N -5.19 3.61 -2.27 1.46 -0.04 -1.26 -4.85 135.00 126.46 1jfw n PRO 73 Ca -0.10 -2.63 -0.43 0.00 -0.04 0.00 0.00 63.50 60.31 1jfw n PRO 73 Cb 0.27 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 1jfw n PRO 73 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jfw n THR 74 N 3.68 3.99 0.00 0.52 -1.04 -1.24 -4.89 114.28 115.30 1jfw n THR 74 Ca 0.65 -3.96 0.00 0.00 -2.04 0.00 0.00 64.05 58.71 1jfw n THR 74 Cb 0.29 -2.45 0.00 0.00 -1.82 0.00 0.00 70.33 66.34 1jfw n THR 74 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1jfw n SER 75 N 5.50 0.00 -3.78 8.00 3.41 -1.26 -4.70 113.62 120.79 1jfw n SER 75 Ca 0.45 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.93 1jfw n SER 75 Cb 0.39 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.22 1jfw n SER 75 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1jfw s GLN 76 N 0.00 0.23 -0.75 4.33 -0.21 -1.26 -5.11 119.66 116.88 1jfw s GLN 76 Ca 0.00 0.35 -0.26 0.00 0.02 0.00 0.00 55.36 55.48 1jfw s GLN 76 Cb 0.00 0.04 -0.01 0.00 1.00 0.00 0.00 33.01 34.04 1jfw s GLN 76 CO 0.00 -0.07 1.72 -1.25 -2.12 0.00 0.00 175.29 173.57 1jfw s PRO 77 N 0.45 2.83 -1.27 2.91 0.04 -1.26 -4.94 135.00 133.75 1jfw s PRO 77 Ca -0.03 0.04 -0.15 0.00 0.04 0.00 0.00 61.00 60.90 1jfw s PRO 77 Cb -0.04 -4.61 0.12 0.00 0.04 0.00 0.00 34.50 30.01 1jfw s PRO 77 CO -0.02 -2.72 1.65 0.54 0.04 0.00 0.00 177.00 176.50 1jfw n ARG 78 N 9.12 3.28 0.00 4.56 1.74 -1.26 -4.28 116.66 129.82 1jfw n ARG 78 Ca 0.23 -3.50 0.00 0.00 -0.77 0.00 0.00 57.85 53.81 1jfw n ARG 78 Cb 0.50 -3.24 0.00 0.00 -1.02 0.00 0.00 32.46 28.71 1jfw n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jfw n GLY 79 N 4.51 2.48 2.22 -0.13 0.00 -1.26 -4.94 105.19 108.07 1jfw n GLY 79 Ca 0.43 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1jfw n GLY 79 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jfw n ASP 80 N 0.00 -4.74 -3.90 1.61 10.43 -1.17 -3.75 116.55 115.03 1jfw n ASP 80 Ca 0.00 0.86 -0.43 0.00 2.57 0.00 0.00 54.79 57.80 1jfw n ASP 80 Cb 0.00 -3.62 0.00 0.00 1.84 0.00 0.00 41.12 39.34 1jfw n ASP 80 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 1jfw n PRO 81 N 0.55 3.60 0.00 -0.24 -0.04 -1.26 -4.31 135.00 133.30 1jfw n PRO 81 Ca -0.05 -3.54 0.00 0.00 -0.04 0.00 0.00 63.50 59.87 1jfw n PRO 81 Cb 0.08 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 1jfw n PRO 81 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jfw n THR 82 N 3.43 0.00 0.00 0.52 -1.04 -1.26 -4.92 114.28 111.01 1jfw n THR 82 Ca 0.40 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.41 1jfw n THR 82 Cb 0.37 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 1jfw n THR 82 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jfw n GLY 83 N -0.03 1.02 3.80 3.41 0.00 -1.26 -4.79 105.19 107.33 1jfw n GLY 83 Ca 0.00 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 1jfw n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jfw s PRO 84 N 0.00 4.18 0.02 1.61 0.04 -1.26 -4.04 135.00 135.55 1jfw s PRO 84 Ca 0.00 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 1jfw s PRO 84 Cb 0.00 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1jfw s PRO 84 CO 0.00 -0.10 1.07 0.21 0.04 0.00 0.00 177.00 178.22 1jfw s LYS 85 N -2.85 4.51 0.00 4.56 2.20 -1.26 -5.13 119.74 121.76 1jfw s LYS 85 Ca 0.60 1.56 0.32 0.00 -0.36 0.00 0.00 55.97 58.09 1jfw s LYS 85 Cb -0.15 -3.41 1.86 0.00 -1.51 0.00 0.00 37.83 34.62 1jfw s LYS 85 CO 0.20 -0.13 2.20 -0.85 -0.36 0.00 0.00 175.35 176.41