#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 0.00 -1.10 2.12 2.13 -1.26 -4.56 120.64 117.96 1jfw n GLU 2 Ca 0.00 0.03 -0.20 0.00 0.66 0.00 0.00 57.16 57.65 1jfw n GLU 2 Cb 0.00 -0.34 -0.13 0.00 0.27 0.00 0.00 31.44 31.24 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 -1.07 2.51 -0.11 5.31 -0.04 -1.24 -4.62 135.00 135.73 1jfw n PRO 3 Ca 0.00 -1.38 -0.12 0.00 -0.04 0.00 0.00 63.50 61.96 1jfw n PRO 3 Cb 0.00 -2.24 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 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 2.29 1.28 -3.03 0.52 2.07 -1.80 -2.27 116.25 115.32 1jfw h VAL 4 Ca 0.39 -1.20 -0.54 0.00 0.82 0.00 0.00 66.70 66.18 1jfw h VAL 4 Cb 1.15 1.37 0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1jfw h VAL 4 CO 0.69 0.39 0.72 -1.81 0.02 0.00 0.00 177.57 177.58 1jfw s ASP 5 N -6.31 6.92 -1.07 0.57 1.01 -1.26 -4.65 116.67 111.88 1jfw s ASP 5 Ca -0.13 2.13 -0.22 0.00 0.71 0.00 0.00 52.55 55.04 1jfw s ASP 5 Cb 0.09 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 41.44 1jfw s ASP 5 CO 0.80 -0.62 1.74 -2.16 0.21 0.00 0.00 175.17 175.14 1jfw s PRO 6 N 1.62 3.15 -0.49 8.23 0.04 -1.26 -4.77 135.00 141.51 1jfw s PRO 6 Ca 0.62 -1.03 0.06 0.00 0.04 0.00 0.00 61.00 60.69 1jfw s PRO 6 Cb -0.32 -5.28 0.23 0.00 0.04 0.00 0.00 34.50 29.17 1jfw s PRO 6 CO 0.28 -2.90 0.81 -2.13 0.04 0.00 0.00 177.00 173.10 1jfw n ARG 7 N 8.68 0.70 -4.15 4.56 0.63 -1.26 -4.65 116.66 121.17 1jfw n ARG 7 Ca 0.40 -1.96 -0.17 0.00 -0.92 0.00 0.00 57.85 55.20 1jfw n ARG 7 Cb 0.48 -1.45 -0.15 0.00 0.45 0.00 0.00 32.46 31.79 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 -0.36 1.84 0.35 6.15 1.43 -1.26 -5.01 118.68 121.82 1jfw s LEU 8 Ca 0.32 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 1jfw s LEU 8 Cb 0.17 -0.30 0.66 0.00 0.03 0.00 0.00 46.19 46.74 1jfw s LEU 8 CO -0.19 0.04 1.97 1.05 0.23 0.00 0.00 176.35 179.44 1jfw h GLU 9 N 6.29 0.83 -5.36 1.70 9.09 -2.03 -3.30 114.58 121.80 1jfw h GLU 9 Ca -0.31 -0.05 -0.53 0.00 0.05 0.00 0.00 59.36 58.52 1jfw h GLU 9 Cb 1.18 -0.19 -0.04 0.00 -1.65 0.00 0.00 28.75 28.05 1jfw h GLU 9 CO 0.50 0.55 1.81 -0.35 0.05 0.00 0.00 179.01 181.56 1jfw n PRO 10 N -4.46 2.27 -2.67 1.06 -0.04 -1.26 -4.94 135.00 124.96 1jfw n PRO 10 Ca 0.10 -2.70 -0.42 0.00 -0.04 0.00 0.00 63.50 60.43 1jfw n PRO 10 Cb 0.15 -3.51 -0.02 0.00 -0.04 0.00 0.00 33.50 30.08 1jfw n PRO 10 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 1jfw s TRP 11 N 7.21 2.80 -0.44 0.54 -0.00 -1.24 -4.71 118.94 123.10 1jfw s TRP 11 Ca 0.60 -1.29 0.09 0.00 -0.00 0.00 0.00 56.10 55.50 1jfw s TRP 11 Cb 0.04 -4.61 0.31 0.00 -0.00 0.00 0.00 33.47 29.21 1jfw s TRP 11 CO 0.09 -1.77 0.70 1.17 -0.00 0.00 0.00 176.95 177.15 1jfw n LYS 12 N 8.02 1.41 -3.71 5.86 4.81 -1.26 -5.05 118.16 128.24 1jfw n LYS 12 Ca 0.36 -3.70 -0.29 0.00 -0.87 0.00 0.00 58.31 53.82 1jfw n LYS 12 Cb 0.48 -1.70 -0.13 0.00 0.02 0.00 0.00 35.03 33.71 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 -2.23 2.12 0.18 5.64 2.46 -1.26 -4.13 115.29 118.06 1jfw s HIS 13 Ca 0.40 -2.55 -0.03 0.00 0.47 0.00 0.00 55.06 53.35 1jfw s HIS 13 Cb 0.27 -1.91 0.06 0.00 -0.13 0.00 0.00 32.58 30.86 1jfw s HIS 13 CO -0.09 -0.76 1.45 -1.00 -2.47 0.00 0.00 174.74 171.87 1jfw h PRO 14 N 6.45 0.48 0.00 2.88 0.13 -1.82 -3.43 132.00 136.70 1jfw h PRO 14 Ca 0.04 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1jfw h PRO 14 Cb 0.90 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1jfw h PRO 14 CO 0.51 0.99 0.00 0.41 -0.23 0.00 0.00 178.00 179.67 1jfw n GLY 15 N 0.47 2.27 3.16 1.56 0.00 -1.26 -4.54 105.19 106.85 1jfw n GLY 15 Ca -0.04 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.27 0.00 1.61 0.01 -1.26 -4.59 113.70 104.20 1jfw s SER 16 Ca 0.00 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.08 1jfw s SER 16 Cb 0.00 2.08 0.00 0.00 0.21 0.00 0.00 66.02 68.31 1jfw s SER 16 CO 0.00 -0.24 0.00 1.67 0.41 0.00 0.00 173.24 175.08 1jfw n GLN 17 N 5.43 0.00 -2.32 12.44 -0.06 -1.26 -4.93 117.38 126.69 1jfw n GLN 17 Ca -0.02 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.63 1jfw n GLN 17 Cb 0.51 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.66 1jfw n GLN 17 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1jfw s PRO 18 N -0.67 3.21 -0.40 3.69 0.04 -1.26 -4.98 135.00 134.64 1jfw s PRO 18 Ca 0.00 -1.52 -0.25 0.00 0.04 0.00 0.00 61.00 59.26 1jfw s PRO 18 Cb 0.00 -5.38 0.02 0.00 0.04 0.00 0.00 34.50 29.18 1jfw s PRO 18 CO 0.00 -3.13 0.90 0.21 0.04 0.00 0.00 177.00 175.01 1jfw s LYS 19 N 5.42 3.73 0.00 4.56 2.20 -1.26 -0.95 119.74 133.44 1jfw s LYS 19 Ca 0.61 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 1jfw s LYS 19 Cb 0.01 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1jfw s LYS 19 CO 0.10 -1.01 0.00 2.41 -0.36 0.00 0.00 175.35 176.49 1jfw n THR 20 N 6.07 0.00 -2.02 3.43 -1.04 -1.26 -4.97 114.28 114.49 1jfw n THR 20 Ca 0.06 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.65 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 -1.00 5.43 -0.47 2.41 0.00 -1.26 -4.75 120.51 120.87 1jfw n ALA 21 Ca 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.36 1jfw n ALA 21 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 19.45 16.16 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 -0.64 0.00 0.00 -1.32 -1.26 -4.49 115.64 107.93 1jfw s THR 23 Ca 0.00 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 1jfw s THR 23 Cb 0.00 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 1jfw s THR 23 CO 0.00 -0.04 0.00 0.41 -2.21 0.00 0.00 174.62 172.78 1jfw n THR 24 N 5.38 -1.17 -3.35 5.08 -1.04 -0.12 -4.28 114.28 114.78 1jfw n THR 24 Ca -0.05 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.84 1jfw n THR 24 Cb 0.50 -1.17 -0.08 0.00 -1.82 0.00 0.00 70.33 67.76 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 5.34 -1.67 0.00 0.00 4.02 0.18 -1.59 117.16 123.45 1jfw n TYR 26 Ca -0.01 0.58 0.00 0.00 -0.01 0.00 0.00 57.90 58.46 1jfw n TYR 26 Cb 0.48 -3.62 0.00 0.00 -0.02 0.00 0.00 39.34 36.18 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 0.04 0.00 2.10 -1.88 -2.39 116.57 114.44 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 0.29 -0.02 0.87 -2.00 0.00 0.00 179.45 178.59 1jfw h LYS 29 N 0.00 -0.05 -2.54 0.07 1.79 -1.61 -3.46 116.57 110.77 1jfw h LYS 29 Ca -0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 1jfw h LYS 29 Cb 0.76 0.01 -0.39 0.00 -1.58 0.00 0.00 32.23 31.04 1jfw h LYS 29 CO 0.04 -0.03 -0.87 0.00 -1.08 0.00 0.00 179.45 177.50 1jfw n PHE 32 N -2.04 0.00 -2.68 0.00 3.72 -0.90 -4.50 117.46 111.07 1jfw n PHE 32 Ca -0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.16 1jfw n PHE 32 Cb 0.54 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.13 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 -4.16 115.29 117.52 1jfw s HIS 33 Ca 0.00 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 1jfw s HIS 33 Cb 0.00 -2.74 0.00 0.00 1.11 0.00 0.00 32.58 30.95 1jfw s HIS 33 CO 0.00 -1.03 0.31 0.00 -0.85 0.00 0.00 174.74 173.18 1jfw n GLN 35 N -0.77 0.35 -2.49 0.00 6.02 -1.26 -0.65 117.38 118.57 1jfw n GLN 35 Ca 0.00 -3.18 -0.43 0.00 -0.01 0.00 0.00 57.00 53.38 1jfw n GLN 35 Cb 0.00 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.74 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 2.39 4.30 -0.05 5.09 3.14 -1.26 -4.85 118.33 127.09 1jfw n VAL 36 Ca 0.27 -4.46 -0.03 0.00 -2.96 0.00 0.00 64.34 57.17 1jfw n VAL 36 Cb 0.50 -2.39 -0.01 0.00 -1.06 0.00 0.00 33.84 30.88 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 -4.25 0.00 -0.27 0.00 3.72 -1.26 -4.53 117.46 110.86 1jfw n PHE 38 Ca -0.04 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.43 1jfw n PHE 38 Cb 0.15 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 38.88 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 0.32 -0.86 4.37 1.03 -1.77 -2.54 112.91 113.46 1jfw h THR 39 Ca 0.00 -0.04 0.08 0.00 -0.01 0.00 0.00 66.41 66.43 1jfw h THR 39 Cb 0.00 0.19 -0.06 0.00 -1.07 0.00 0.00 68.15 67.21 1jfw h THR 39 CO 0.00 0.02 0.56 0.74 -0.01 0.00 0.00 175.52 176.83 1jfw h THR 40 N 0.13 1.02 0.05 0.00 2.02 -1.81 -2.70 112.91 111.61 1jfw h THR 40 Ca 0.45 -0.31 -0.18 0.00 0.77 0.00 0.00 66.41 67.13 1jfw h THR 40 Cb 0.83 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1jfw h THR 40 CO -0.67 0.17 -0.95 0.11 0.37 0.00 0.00 175.52 174.54 1jfw h LYS 41 N 0.92 0.11 0.00 6.66 1.57 -1.92 -3.40 116.57 120.51 1jfw h LYS 41 Ca 0.38 -0.19 -0.32 0.00 -1.87 0.00 0.00 60.65 58.65 1jfw h LYS 41 Cb 0.29 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1jfw h LYS 41 CO -0.15 1.09 -1.96 0.00 -0.57 0.00 0.00 179.45 177.87 1jfw n ALA 42 N -2.98 1.04 -3.58 3.86 0.00 -0.96 -3.31 120.51 114.58 1jfw n ALA 42 Ca -0.22 -0.93 -0.16 0.00 0.00 0.00 0.00 53.44 52.13 1jfw n ALA 42 Cb 0.72 0.01 -0.13 0.00 0.00 0.00 0.00 19.45 20.05 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 -7.68 -0.19 0.00 0.00 1.43 -1.02 -3.04 118.68 108.17 1jfw s LEU 43 Ca -0.34 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1jfw s LEU 43 Cb 0.11 0.51 0.00 0.00 0.03 0.00 0.00 46.19 46.84 1jfw s LEU 43 CO 0.48 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1jfw n GLY 44 N 5.33 0.25 0.00 -3.19 0.00 -1.20 -4.39 105.19 101.99 1jfw n GLY 44 Ca -0.05 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1jfw n GLY 44 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jfw n ILE 45 N 9.00 0.00 -3.21 -0.61 5.41 -0.85 -1.11 119.36 127.99 1jfw n ILE 45 Ca 0.00 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.51 1jfw n ILE 45 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 1jfw n ILE 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1jfw n SER 46 N -0.13 1.63 -3.82 4.38 3.41 -1.26 -4.14 113.62 113.68 1jfw n SER 46 Ca 0.00 -3.05 -0.22 0.00 -0.26 0.00 0.00 58.87 55.34 1jfw n SER 46 Cb 0.00 -0.63 -0.17 0.00 -0.26 0.00 0.00 64.21 63.15 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 -2.04 0.74 0.00 7.33 2.02 -0.27 -4.82 117.35 120.31 1jfw s TYR 47 Ca 0.39 -0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 1jfw s TYR 47 Cb 0.22 -0.77 0.00 0.00 -0.40 0.00 0.00 41.96 41.01 1jfw s TYR 47 CO -0.09 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.02 1jfw n GLY 48 N 4.71 1.33 0.16 0.71 0.00 -1.21 -2.76 105.19 108.13 1jfw n GLY 48 Ca -0.14 0.35 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 0.45 0.00 1.61 -0.00 -1.84 -3.48 114.38 111.12 1jfw h ARG 49 Ca 0.00 -0.20 0.00 0.00 -0.50 0.00 0.00 59.98 59.28 1jfw h ARG 49 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 29.96 1jfw h ARG 49 CO 0.00 0.74 0.00 0.36 0.00 0.00 0.00 179.97 181.07 1jfw n LYS 50 N -4.53 0.00 -2.94 0.04 2.85 -1.11 -4.63 118.16 107.83 1jfw n LYS 50 Ca -0.05 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.77 1jfw n LYS 50 Cb 0.34 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.72 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 3.37 -4.24 -1.58 4.76 -1.26 -4.52 118.16 114.69 1jfw n LYS 51 Ca 0.00 -3.85 -0.27 0.00 -2.87 0.00 0.00 58.31 51.32 1jfw n LYS 51 Cb 0.00 -3.04 -0.17 0.00 -1.84 0.00 0.00 35.03 29.98 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 1.55 1.91 -1.13 1.97 6.06 -1.26 -5.10 118.95 122.96 1jfw s ARG 52 Ca 0.43 -0.44 -0.19 0.00 -2.50 0.00 0.00 55.73 53.03 1jfw s ARG 52 Cb -0.03 -1.73 0.09 0.00 0.06 0.00 0.00 34.95 33.34 1jfw s ARG 52 CO 0.00 -0.14 1.49 0.50 -2.50 0.00 0.00 175.30 174.65 1jfw s ARG 53 N 1.23 3.80 -0.07 5.12 6.06 -1.26 -3.73 118.95 130.11 1jfw s ARG 53 Ca -0.03 -1.76 -0.03 0.00 -2.50 0.00 0.00 55.73 51.41 1jfw s ARG 53 Cb -0.14 -5.29 0.04 0.00 0.06 0.00 0.00 34.95 29.61 1jfw s ARG 53 CO -0.04 -2.08 0.16 -1.14 -2.50 0.00 0.00 175.30 169.70 1jfw s GLN 54 N 3.78 0.12 0.00 5.12 2.00 -1.26 -5.08 119.66 124.34 1jfw s GLN 54 Ca 0.46 0.36 0.00 0.00 -2.00 0.00 0.00 55.36 54.18 1jfw s GLN 54 Cb 0.00 -0.13 0.00 0.00 0.80 0.00 0.00 33.01 33.68 1jfw s GLN 54 CO -0.02 -0.14 0.00 0.54 -0.50 0.00 0.00 175.29 175.17 1jfw n ARG 55 N 4.00 0.00 -3.24 1.67 1.74 -1.26 -4.24 116.66 115.33 1jfw n ARG 55 Ca -0.24 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.70 1jfw n ARG 55 Cb 0.53 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.98 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 -0.79 -1.74 -1.40 5.56 0.63 -1.26 -4.64 116.66 113.02 1jfw n ARG 56 Ca 0.00 1.48 -0.49 0.00 -0.92 0.00 0.00 57.85 57.92 1jfw n ARG 56 Cb 0.00 -4.39 -0.12 0.00 0.45 0.00 0.00 32.46 28.40 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 -1.34 0.20 -0.07 -0.14 0.63 -1.26 -4.96 116.66 109.72 1jfw n ARG 57 Ca -0.06 0.03 -0.13 0.00 -0.92 0.00 0.00 57.85 56.78 1jfw n ARG 57 Cb 0.56 -1.74 -0.01 0.00 0.45 0.00 0.00 32.46 31.72 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 11.42 0.80 -1.74 -0.14 0.13 -1.88 -3.35 132.00 137.24 1jfw h PRO 58 Ca -0.11 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1jfw h PRO 58 Cb 1.35 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1jfw h PRO 58 CO 1.22 1.12 0.00 -0.35 -0.23 0.00 0.00 178.00 179.75 1jfw n PRO 59 N -4.01 0.79 -2.19 1.56 -0.04 -1.26 -4.30 135.00 125.55 1jfw n PRO 59 Ca -0.03 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 1jfw n PRO 59 Cb 0.60 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 1.28 3.14 0.00 0.54 7.27 -1.26 -4.04 117.38 124.31 1jfw n GLN 60 Ca 0.00 -3.08 0.00 0.00 0.07 0.00 0.00 57.00 53.99 1jfw n GLN 60 Cb 0.40 -3.25 0.00 0.00 2.41 0.00 0.00 30.24 29.79 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 4.20 -0.51 0.00 1.69 0.00 -1.26 -5.12 105.19 104.19 1jfw n GLY 61 Ca 0.47 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -4.00 1.61 2.88 -1.26 -4.98 113.62 107.87 1jfw n SER 62 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1jfw n SER 62 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 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 1.90 2.13 0.02 -1.46 -0.21 -0.99 -4.77 119.66 116.28 1jfw s GLN 63 Ca 0.00 -0.61 -0.26 0.00 0.02 0.00 0.00 55.36 54.51 1jfw s GLN 63 Cb 0.00 -2.15 -0.17 0.00 1.00 0.00 0.00 33.01 31.69 1jfw s GLN 63 CO 0.00 -0.30 1.27 1.79 -2.12 0.00 0.00 175.29 175.93 1jfw h THR 64 N 6.17 0.65 0.00 -0.19 1.35 -1.89 -2.84 112.91 116.17 1jfw h THR 64 Ca -0.34 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1jfw h THR 64 Cb 1.12 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1jfw h THR 64 CO 0.50 0.10 0.00 1.41 -0.25 0.00 0.00 175.52 177.28 1jfw n HIS 65 N -5.16 0.00 -3.28 4.73 8.25 -1.26 -1.19 115.22 117.30 1jfw n HIS 65 Ca -0.10 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.11 1jfw n HIS 65 Cb 0.27 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.31 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 1.83 0.02 -0.41 7.27 -1.18 -4.34 117.38 120.58 1jfw n GLN 66 Ca 0.00 -4.08 0.00 0.00 0.07 0.00 0.00 57.00 52.99 1jfw n GLN 66 Cb 0.00 -1.84 0.00 0.00 2.41 0.00 0.00 30.24 30.81 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 0.93 0.53 -0.59 1.69 0.31 -0.33 -4.42 118.33 116.45 1jfw n VAL 67 Ca 0.26 0.18 0.01 0.00 -0.01 0.00 0.00 64.34 64.78 1jfw n VAL 67 Cb 0.47 -1.22 -0.00 0.00 -0.91 0.00 0.00 33.84 32.17 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 -2.95 -3.17 -4.56 4.52 3.41 -1.26 -4.83 113.62 104.78 1jfw n SER 68 Ca 0.00 0.69 -0.39 0.00 -0.26 0.00 0.00 58.87 58.91 1jfw n SER 68 Cb 0.00 -1.36 -0.03 0.00 -0.26 0.00 0.00 64.21 62.55 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 -4.05 3.44 0.00 1.04 0.20 -1.26 -4.36 118.68 113.68 1jfw s LEU 69 Ca 0.00 -1.30 0.00 0.00 0.69 0.00 0.00 54.13 53.52 1jfw s LEU 69 Cb 0.00 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 43.19 1jfw s LEU 69 CO 0.00 -1.71 0.00 -1.54 -0.29 0.00 0.00 176.35 172.81 1jfw n SER 70 N 9.67 0.00 -3.65 3.68 3.41 -1.26 -5.09 113.62 120.38 1jfw n SER 70 Ca 0.33 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.65 1jfw n SER 70 Cb 0.50 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.00 0.47 0.04 4.33 2.20 -1.26 -5.10 119.74 120.42 1jfw s LYS 71 Ca 0.00 -0.74 -0.22 0.00 -0.36 0.00 0.00 55.97 54.65 1jfw s LYS 71 Cb 0.00 -1.67 -0.15 0.00 -1.51 0.00 0.00 37.83 34.51 1jfw s LYS 71 CO 0.00 -0.95 1.45 1.96 -0.36 0.00 0.00 175.35 177.46 1jfw h GLN 72 N 8.25 0.18 -2.09 4.03 1.08 -1.88 -3.25 115.11 121.42 1jfw h GLN 72 Ca -0.16 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 56.89 1jfw h GLN 72 Cb 1.03 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.42 1jfw h GLN 72 CO 0.44 0.46 -0.13 -2.30 -0.95 0.00 0.00 178.83 176.35 1jfw n PRO 73 N -4.80 1.27 -2.72 1.46 -0.02 -1.26 -4.82 135.00 124.11 1jfw n PRO 73 Ca -0.06 -0.44 -0.43 0.00 -2.02 0.00 0.00 63.50 60.54 1jfw n PRO 73 Cb 0.21 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1jfw n PRO 73 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1jfw n THR 74 N 2.12 4.19 0.00 3.45 -1.04 -1.23 -4.91 114.28 116.86 1jfw n THR 74 Ca 0.19 -4.50 0.00 0.00 -2.04 0.00 0.00 64.05 57.70 1jfw n THR 74 Cb 0.60 -2.43 0.00 0.00 -1.82 0.00 0.00 70.33 66.67 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 5.74 0.00 -3.78 8.00 3.41 -1.26 -4.78 113.62 120.95 1jfw n SER 75 Ca 0.40 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.88 1jfw n SER 75 Cb 0.42 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.26 -0.72 4.33 -0.21 -1.26 -5.12 119.66 116.94 1jfw s GLN 76 Ca 0.00 0.36 -0.26 0.00 0.02 0.00 0.00 55.36 55.48 1jfw s GLN 76 Cb 0.00 0.08 0.00 0.00 1.00 0.00 0.00 33.01 34.09 1jfw s GLN 76 CO 0.00 -0.06 1.62 -1.25 -2.12 0.00 0.00 175.29 173.49 1jfw s PRO 77 N 0.34 2.90 -1.29 2.91 0.04 -1.26 -4.94 135.00 133.70 1jfw s PRO 77 Ca -0.02 0.06 -0.13 0.00 0.04 0.00 0.00 61.00 60.95 1jfw s PRO 77 Cb -0.03 -4.46 0.13 0.00 0.04 0.00 0.00 34.50 30.18 1jfw s PRO 77 CO -0.01 -2.54 1.76 0.54 0.04 0.00 0.00 177.00 176.78 1jfw n ARG 78 N 9.20 3.34 0.00 4.56 1.74 -1.26 -4.27 116.66 129.96 1jfw n ARG 78 Ca 0.17 -3.45 0.00 0.00 -0.77 0.00 0.00 57.85 53.80 1jfw n ARG 78 Cb 0.50 -3.13 0.00 0.00 -1.02 0.00 0.00 32.46 28.81 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 3.93 2.45 2.24 -0.13 0.00 -1.26 -4.94 105.19 107.48 1jfw n GLY 79 Ca 0.42 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.64 -4.08 1.61 10.43 -1.21 -3.11 116.55 115.55 1jfw n ASP 80 Ca 0.00 0.89 -0.43 0.00 2.57 0.00 0.00 54.79 57.82 1jfw n ASP 80 Cb 0.00 -3.72 0.00 0.00 1.84 0.00 0.00 41.12 39.25 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 0.59 3.39 0.00 -0.24 -0.04 -1.26 -4.26 135.00 133.17 1jfw n PRO 81 Ca -0.06 -3.44 0.00 0.00 -0.04 0.00 0.00 63.50 59.96 1jfw n PRO 81 Cb 0.10 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.48 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 4.27 0.00 0.00 0.52 -1.04 -1.26 -4.91 114.28 111.86 1jfw n THR 82 Ca 0.42 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 1jfw n THR 82 Cb 0.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 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 0.97 3.77 3.41 0.00 -1.26 -4.79 105.19 107.32 1jfw n GLY 83 Ca 0.00 -1.23 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 1jfw n GLY 83 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jfw s PRO 84 N 0.00 3.86 0.01 1.61 0.02 -1.26 -4.11 135.00 135.12 1jfw s PRO 84 Ca 0.00 2.42 -0.28 0.00 0.02 0.00 0.00 61.00 63.16 1jfw s PRO 84 Cb 0.00 -2.76 -0.04 0.00 0.02 0.00 0.00 34.50 31.72 1jfw s PRO 84 CO 0.00 -0.68 0.87 0.21 -0.33 0.00 0.00 177.00 177.07 1jfw s LYS 85 N -2.31 4.54 0.00 5.54 2.20 -1.26 -5.11 119.74 123.34 1jfw s LYS 85 Ca 0.58 1.23 0.30 0.00 -0.36 0.00 0.00 55.97 57.72 1jfw s LYS 85 Cb -0.44 -3.43 1.81 0.00 -1.51 0.00 0.00 37.83 34.26 1jfw s LYS 85 CO 0.57 0.07 2.14 -0.85 -0.36 0.00 0.00 175.35 176.91