#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfw h GLU 2 N 0.00 -0.03 -3.44 2.12 4.81 -1.92 -3.40 114.58 112.72 1jfw h GLU 2 Ca 0.00 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.52 1jfw h GLU 2 Cb 0.00 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 1jfw h GLU 2 CO 0.00 -0.02 2.97 -0.35 -0.73 0.00 0.00 179.01 180.89 1jfw n PRO 3 N -2.76 3.48 -0.05 0.92 -0.04 -1.23 -4.71 135.00 130.61 1jfw n PRO 3 Ca -0.00 -2.83 -0.04 0.00 -0.04 0.00 0.00 63.50 60.59 1jfw n PRO 3 Cb 0.01 -2.99 -0.01 0.00 -0.04 0.00 0.00 33.50 30.47 1jfw n PRO 3 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1jfw n VAL 4 N 3.85 0.84 -2.07 0.52 0.31 -1.26 -2.02 118.33 118.50 1jfw n VAL 4 Ca 0.57 0.32 -0.42 0.00 -0.01 0.00 0.00 64.34 64.80 1jfw n VAL 4 Cb 0.32 -2.01 -0.03 0.00 -0.91 0.00 0.00 33.84 31.22 1jfw n VAL 4 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1jfw s ASP 5 N -4.92 6.72 -1.06 4.52 1.01 -1.26 -4.61 116.67 117.08 1jfw s ASP 5 Ca -0.12 2.38 -0.22 0.00 0.71 0.00 0.00 52.55 55.29 1jfw s ASP 5 Cb 0.02 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.42 1jfw s ASP 5 CO 0.18 -0.77 1.51 -2.16 0.21 0.00 0.00 175.17 174.13 1jfw s PRO 6 N 1.86 3.62 -0.45 8.23 0.04 -1.26 -4.56 135.00 142.47 1jfw s PRO 6 Ca 0.68 -1.22 0.07 0.00 0.04 0.00 0.00 61.00 60.56 1jfw s PRO 6 Cb -0.38 -5.38 0.24 0.00 0.04 0.00 0.00 34.50 29.02 1jfw s PRO 6 CO 0.30 -2.25 0.70 -2.13 0.04 0.00 0.00 177.00 173.66 1jfw n ARG 7 N 8.82 0.70 -3.71 4.56 0.63 -1.26 -4.51 116.66 121.89 1jfw n ARG 7 Ca 0.35 -2.42 -0.37 0.00 -0.92 0.00 0.00 57.85 54.50 1jfw n ARG 7 Cb 0.50 -1.38 -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 -0.74 4.36 0.18 6.15 1.43 -1.26 -4.73 118.68 124.07 1jfw s LEU 8 Ca 0.33 0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 1jfw s LEU 8 Cb 0.18 -2.25 0.09 0.00 0.03 0.00 0.00 46.19 44.23 1jfw s LEU 8 CO -0.18 0.31 1.75 1.05 0.23 0.00 0.00 176.35 179.50 1jfw h GLU 9 N 5.41 0.92 -5.76 1.70 9.09 -2.01 -3.29 114.58 120.63 1jfw h GLU 9 Ca -0.50 -0.16 -0.40 0.00 0.05 0.00 0.00 59.36 58.36 1jfw h GLU 9 Cb 1.21 -0.15 -0.06 0.00 -1.65 0.00 0.00 28.75 28.09 1jfw h GLU 9 CO 0.64 0.76 1.09 -1.25 0.05 0.00 0.00 179.01 180.30 1jfw s PRO 10 N -5.60 2.88 -0.80 1.06 0.04 -1.26 -4.97 135.00 126.34 1jfw s PRO 10 Ca -0.13 -0.79 -0.19 0.00 0.04 0.00 0.00 61.00 59.93 1jfw s PRO 10 Cb 0.13 -5.20 0.12 0.00 0.04 0.00 0.00 34.50 29.59 1jfw s PRO 10 CO 0.80 -3.17 0.98 -0.46 0.04 0.00 0.00 177.00 175.19 1jfw s TRP 11 N 8.74 3.06 -0.41 0.56 -0.00 -1.24 -4.76 118.94 124.89 1jfw s TRP 11 Ca 0.63 -1.18 0.09 0.00 -0.00 0.00 0.00 56.10 55.65 1jfw s TRP 11 Cb -0.03 -4.20 0.33 0.00 -0.00 0.00 0.00 33.47 29.57 1jfw s TRP 11 CO 0.01 -1.45 0.84 1.17 -0.00 0.00 0.00 176.95 177.53 1jfw n LYS 12 N 6.53 0.95 -3.72 5.86 4.81 -1.26 -5.09 118.16 126.25 1jfw n LYS 12 Ca 0.11 -2.82 -0.29 0.00 -0.87 0.00 0.00 58.31 54.44 1jfw n LYS 12 Cb 0.47 -1.44 -0.12 0.00 0.02 0.00 0.00 35.03 33.96 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 -1.29 2.22 0.33 5.64 2.46 -1.26 -4.26 115.29 119.13 1jfw s HIS 13 Ca 0.33 -2.63 0.13 0.00 0.47 0.00 0.00 55.06 53.36 1jfw s HIS 13 Cb 0.31 -1.96 0.61 0.00 -0.13 0.00 0.00 32.58 31.41 1jfw s HIS 13 CO -0.08 -0.74 1.75 -1.00 -2.47 0.00 0.00 174.74 172.20 1jfw h PRO 14 N 6.32 0.00 0.00 2.88 0.13 -1.85 -3.42 132.00 136.06 1jfw h PRO 14 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1jfw h PRO 14 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1jfw h PRO 14 CO 0.52 0.45 0.00 0.41 -0.23 0.00 0.00 178.00 179.15 1jfw n GLY 15 N -0.19 2.06 3.12 1.56 0.00 -1.26 -4.48 105.19 106.00 1jfw n GLY 15 Ca -0.02 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 0.12 1.61 0.01 -1.26 -4.36 113.70 104.55 1jfw s SER 16 Ca 0.00 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1jfw s SER 16 Cb 0.00 1.70 0.00 0.00 0.21 0.00 0.00 66.02 67.93 1jfw s SER 16 CO 0.00 -0.18 0.00 1.67 0.41 0.00 0.00 173.24 175.14 1jfw n GLN 17 N 4.75 0.00 -2.14 12.44 0.00 -1.26 -4.86 117.38 126.31 1jfw n GLN 17 Ca 0.08 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 56.72 1jfw n GLN 17 Cb 0.57 -0.08 -0.04 0.00 0.00 0.00 0.00 30.24 30.70 1jfw n GLN 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1jfw n PRO 18 N -3.01 2.25 -2.87 3.69 -0.04 -1.26 -4.99 135.00 128.77 1jfw n PRO 18 Ca 0.00 -2.71 -0.42 0.00 -0.04 0.00 0.00 63.50 60.33 1jfw n PRO 18 Cb 0.00 -3.54 -0.04 0.00 -0.04 0.00 0.00 33.50 29.87 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 5.31 3.93 0.00 0.54 2.20 -1.26 -1.12 119.74 129.34 1jfw s LYS 19 Ca 0.61 0.62 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 1jfw s LYS 19 Cb 0.03 -3.75 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1jfw s LYS 19 CO 0.10 -0.79 0.00 2.41 -0.36 0.00 0.00 175.35 176.71 1jfw n THR 20 N 5.70 0.00 -1.90 3.43 -1.04 -1.26 -4.93 114.28 114.29 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 -1.37 5.85 -0.21 2.41 0.00 -1.26 -4.70 120.51 121.24 1jfw n ALA 21 Ca 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 53.44 49.44 1jfw n ALA 21 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 19.45 16.18 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 -0.61 0.00 0.00 -1.32 -1.26 -4.46 115.64 107.98 1jfw s THR 23 Ca 0.00 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 1jfw s THR 23 Cb 0.00 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.34 1jfw s THR 23 CO 0.00 0.06 0.00 0.41 -2.21 0.00 0.00 174.62 172.88 1jfw n THR 24 N 5.38 -1.85 -3.72 5.08 -1.04 -0.28 -4.16 114.28 113.70 1jfw n THR 24 Ca -0.08 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.84 1jfw n THR 24 Cb 0.49 -2.03 -0.03 0.00 -1.82 0.00 0.00 70.33 66.94 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 -0.36 0.00 0.00 0.00 4.01 -0.27 -2.01 117.16 118.53 1jfw n TYR 26 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1jfw n TYR 26 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 1jfw n TYR 26 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jfw h LYS 28 N 0.00 0.00 0.00 0.00 2.10 -1.86 -3.23 116.57 113.58 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 0.34 -0.46 1.63 -2.00 0.00 0.00 179.45 178.96 1jfw n LYS 29 N -3.83 0.24 -3.66 0.07 4.76 -1.26 -4.97 118.16 109.52 1jfw n LYS 29 Ca -0.01 0.10 -0.38 0.00 -2.87 0.00 0.00 58.31 55.14 1jfw n LYS 29 Cb 0.41 -0.90 -0.08 0.00 -1.84 0.00 0.00 35.03 32.62 1jfw n LYS 29 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jfw n PHE 32 N -3.51 0.00 -4.34 0.00 3.72 -1.22 -4.48 117.46 107.63 1jfw n PHE 32 Ca -0.14 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 56.99 1jfw n PHE 32 Cb 0.64 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.08 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 2.52 0.04 1.38 3.76 -1.26 -4.56 115.29 117.17 1jfw s HIS 33 Ca 0.00 -0.27 -0.28 0.00 -0.15 0.00 0.00 55.06 54.36 1jfw s HIS 33 Cb 0.00 -1.22 -0.17 0.00 1.11 0.00 0.00 32.58 32.30 1jfw s HIS 33 CO 0.00 0.53 1.45 0.00 -0.85 0.00 0.00 174.74 175.87 1jfw s GLN 35 N -5.41 0.38 -0.66 0.00 -0.21 -1.26 -1.11 119.66 111.39 1jfw s GLN 35 Ca -0.15 -0.04 0.05 0.00 0.02 0.00 0.00 55.36 55.23 1jfw s GLN 35 Cb 0.03 -0.49 0.18 0.00 1.00 0.00 0.00 33.01 33.73 1jfw s GLN 35 CO 0.58 -1.04 0.49 1.55 -2.12 0.00 0.00 175.29 174.75 1jfw n VAL 36 N 5.29 1.31 -0.08 1.09 3.14 -1.26 -4.99 118.33 122.82 1jfw n VAL 36 Ca -0.00 -4.70 -0.08 0.00 -2.96 0.00 0.00 64.34 56.59 1jfw n VAL 36 Cb 0.48 -2.11 -0.04 0.00 -1.06 0.00 0.00 33.84 31.10 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 -4.60 0.00 -0.26 0.00 3.72 -1.26 -4.55 117.46 110.51 1jfw n PHE 38 Ca -0.12 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.35 1jfw n PHE 38 Cb 0.33 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.07 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 0.51 -0.92 4.37 1.03 -1.77 -2.31 112.91 113.82 1jfw h THR 39 Ca 0.00 -0.10 0.14 0.00 -0.01 0.00 0.00 66.41 66.44 1jfw h THR 39 Cb 0.00 0.19 -0.07 0.00 -1.07 0.00 0.00 68.15 67.20 1jfw h THR 39 CO 0.00 0.05 0.59 0.74 -0.01 0.00 0.00 175.52 176.89 1jfw h THR 40 N 0.29 0.85 0.00 0.00 2.02 -1.84 -3.04 112.91 111.19 1jfw h THR 40 Ca 0.44 -0.26 -0.20 0.00 0.77 0.00 0.00 66.41 67.16 1jfw h THR 40 Cb 0.76 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1jfw h THR 40 CO -0.52 0.14 -1.11 0.50 0.37 0.00 0.00 175.52 174.90 1jfw h LYS 41 N 0.75 0.00 0.00 6.66 3.64 -1.92 -3.41 116.57 122.30 1jfw h LYS 41 Ca 0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1jfw h LYS 41 Cb 0.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1jfw h LYS 41 CO -0.22 0.95 -0.43 0.00 -2.27 0.00 0.00 179.45 177.47 1jfw n ALA 42 N -3.36 0.38 -3.61 5.00 0.00 -0.87 -3.33 120.51 114.72 1jfw n ALA 42 Ca -0.29 -0.39 -0.19 0.00 0.00 0.00 0.00 53.44 52.58 1jfw n ALA 42 Cb 0.64 0.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.95 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 -7.38 -0.01 0.00 0.00 1.43 -1.15 -3.17 118.68 108.40 1jfw s LEU 43 Ca -0.13 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1jfw s LEU 43 Cb 0.02 0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.44 1jfw s LEU 43 CO 0.19 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1jfw n GLY 44 N 5.31 -0.45 0.14 -3.19 0.00 -1.21 -4.42 105.19 101.38 1jfw n GLY 44 Ca -0.05 -1.02 -0.04 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.22 -3.03 -0.61 5.41 -0.86 -1.95 119.36 127.09 1jfw n ILE 45 Ca 0.00 1.08 -0.20 0.00 1.00 0.00 0.00 62.75 64.64 1jfw n ILE 45 Cb 0.00 -1.37 -0.02 0.00 -0.71 0.00 0.00 39.64 37.54 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 -3.86 2.06 -3.78 4.38 3.41 -1.26 -4.44 113.62 110.13 1jfw n SER 46 Ca 0.01 -3.19 -0.22 0.00 -0.26 0.00 0.00 58.87 55.20 1jfw n SER 46 Cb 0.09 -0.59 -0.17 0.00 -0.26 0.00 0.00 64.21 63.28 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 -2.84 0.63 0.00 7.33 2.02 -0.82 -4.76 117.35 118.90 1jfw s TYR 47 Ca 0.41 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.97 1jfw s TYR 47 Cb 0.35 -0.75 0.00 0.00 -0.40 0.00 0.00 41.96 41.15 1jfw s TYR 47 CO -0.09 -0.30 0.00 0.41 -1.57 0.00 0.00 175.55 174.00 1jfw n GLY 48 N 4.99 1.51 0.06 0.71 0.00 -1.21 -2.87 105.19 108.38 1jfw n GLY 48 Ca -0.10 0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1jfw n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfw n ARG 49 N 0.00 0.11 0.00 1.61 3.00 -1.19 -4.99 116.66 115.19 1jfw n ARG 49 Ca 0.00 0.26 0.00 0.00 -0.01 0.00 0.00 57.85 58.10 1jfw n ARG 49 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 30.79 1jfw n ARG 49 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1jfw n LYS 50 N -1.87 0.00 -3.67 5.56 2.85 -1.14 -4.48 118.16 115.41 1jfw n LYS 50 Ca 0.04 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.02 1jfw n LYS 50 Cb 0.26 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.53 1jfw n LYS 50 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1jfw s LYS 51 N 0.00 1.72 0.01 -1.58 1.02 -1.26 -4.29 119.74 115.35 1jfw s LYS 51 Ca 0.00 -2.73 -0.28 0.00 0.02 0.00 0.00 55.97 52.98 1jfw s LYS 51 Cb 0.00 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1jfw s LYS 51 CO 0.00 -1.32 0.90 0.50 -0.92 0.00 0.00 175.35 174.51 1jfw s ARG 52 N -0.69 4.55 -1.24 1.68 6.06 -1.26 -4.96 118.95 123.08 1jfw s ARG 52 Ca 0.28 1.28 -0.09 0.00 -2.50 0.00 0.00 55.73 54.70 1jfw s ARG 52 Cb -0.02 -3.44 0.19 0.00 0.06 0.00 0.00 34.95 31.74 1jfw s ARG 52 CO -0.17 0.04 1.74 -2.13 -2.50 0.00 0.00 175.30 172.28 1jfw n ARG 53 N 3.62 3.69 -3.64 5.12 3.00 -1.26 -3.58 116.66 123.61 1jfw n ARG 53 Ca 0.03 -3.74 -0.08 0.00 -0.00 0.00 0.00 57.85 54.06 1jfw n ARG 53 Cb 0.51 -2.88 -0.07 0.00 0.00 0.00 0.00 32.46 30.02 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 0.12 0.69 0.05 -0.14 2.00 -1.26 -5.10 119.66 116.01 1jfw s GLN 54 Ca 0.39 1.05 0.00 0.00 -2.00 0.00 0.00 55.36 54.80 1jfw s GLN 54 Cb 0.06 0.21 0.00 0.00 0.80 0.00 0.00 33.01 34.08 1jfw s GLN 54 CO 0.01 -0.12 0.00 0.54 -0.50 0.00 0.00 175.29 175.22 1jfw n ARG 55 N 3.67 0.00 -3.59 1.67 1.74 -1.26 -4.57 116.66 114.32 1jfw n ARG 55 Ca -0.18 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.69 1jfw n ARG 55 Cb 0.58 -0.01 0.07 0.00 -1.02 0.00 0.00 32.46 32.08 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 -2.66 -6.59 -3.88 5.56 0.63 -1.26 -4.22 116.66 104.24 1jfw n ARG 56 Ca 0.00 0.77 -0.32 0.00 -0.92 0.00 0.00 57.85 57.38 1jfw n ARG 56 Cb 0.00 -5.70 0.01 0.00 0.45 0.00 0.00 32.46 27.21 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 -4.49 -1.12 -0.17 -0.14 0.63 -1.26 -4.99 116.66 105.12 1jfw n ARG 57 Ca -0.16 0.54 -0.09 0.00 -0.92 0.00 0.00 57.85 57.22 1jfw n ARG 57 Cb 0.62 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 31.13 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 -1.05 0.76 -3.36 -0.14 0.13 -1.86 -3.37 132.00 123.11 1jfw h PRO 58 Ca -0.66 -0.18 -0.69 0.00 -0.87 0.00 0.00 66.00 63.60 1jfw h PRO 58 Cb 1.40 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1jfw h PRO 58 CO 0.42 0.74 3.49 -0.35 -0.23 0.00 0.00 178.00 182.06 1jfw n PRO 59 N -4.49 3.44 -2.06 1.56 -0.04 -1.26 -4.81 135.00 127.34 1jfw n PRO 59 Ca 0.01 -2.44 -0.42 0.00 -0.04 0.00 0.00 63.50 60.61 1jfw n PRO 59 Cb 0.21 -2.97 -0.00 0.00 -0.04 0.00 0.00 33.50 30.70 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 4.41 3.68 0.00 0.54 7.27 -1.26 -4.29 117.38 127.73 1jfw n GLN 60 Ca 0.67 -3.22 0.00 0.00 0.07 0.00 0.00 57.00 54.53 1jfw n GLN 60 Cb 0.29 -2.93 0.00 0.00 2.41 0.00 0.00 30.24 30.02 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 2.90 1.83 0.23 1.69 0.00 -1.26 -5.03 105.19 105.55 1jfw n GLY 61 Ca 0.50 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.15 1.61 2.88 -1.26 -4.99 113.62 107.71 1jfw n SER 62 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1jfw n SER 62 Cb 0.00 0.03 -0.11 0.00 -0.75 0.00 0.00 64.21 63.38 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 -0.11 0.77 -0.19 -1.46 -0.21 -1.26 -4.96 119.66 112.24 1jfw s GLN 63 Ca 0.00 -1.12 -0.13 0.00 0.02 0.00 0.00 55.36 54.13 1jfw s GLN 63 Cb 0.00 -0.38 -0.08 0.00 1.00 0.00 0.00 33.01 33.55 1jfw s GLN 63 CO 0.00 0.05 -0.30 0.25 -2.12 0.00 0.00 175.29 173.17 1jfw n THR 64 N 0.58 1.35 0.00 -0.19 -2.24 -1.26 -4.59 114.28 107.93 1jfw n THR 64 Ca -0.16 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1jfw n THR 64 Cb 0.58 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 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 -4.15 0.00 -3.30 4.78 8.25 -1.26 -1.01 115.22 118.54 1jfw n HIS 65 Ca -0.32 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 56.88 1jfw n HIS 65 Cb 0.67 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.71 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 0.27 1.87 -0.00 -0.41 7.27 -1.26 -4.39 117.38 120.73 1jfw n GLN 66 Ca 0.00 -4.12 -0.00 0.00 0.07 0.00 0.00 57.00 52.95 1jfw n GLN 66 Cb 0.00 -1.86 -0.00 0.00 2.41 0.00 0.00 30.24 30.79 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 0.04 -1.73 1.69 0.31 -0.18 -4.67 118.33 114.74 1jfw n VAL 67 Ca 0.27 0.49 0.00 0.00 -0.01 0.00 0.00 64.34 65.09 1jfw n VAL 67 Cb 0.46 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 1jfw n VAL 67 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1jfw n SER 68 N -2.38 -7.83 -4.55 4.52 2.88 -1.26 -4.79 113.62 100.21 1jfw n SER 68 Ca -0.00 1.13 -0.34 0.00 -1.33 0.00 0.00 58.87 58.32 1jfw n SER 68 Cb 0.01 -4.26 -0.04 0.00 -0.75 0.00 0.00 64.21 59.17 1jfw n SER 68 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1jfw s LEU 69 N -0.77 3.28 0.00 2.46 1.43 -1.26 -4.40 118.68 119.42 1jfw s LEU 69 Ca 0.00 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1jfw s LEU 69 Cb 0.00 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1jfw s LEU 69 CO 0.00 -2.76 0.00 -1.54 0.23 0.00 0.00 176.35 172.28 1jfw n SER 70 N 14.72 0.00 -3.94 2.29 3.41 -1.26 -5.09 113.62 123.75 1jfw n SER 70 Ca 0.31 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.62 1jfw n SER 70 Cb 0.52 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.31 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 1.56 0.16 4.33 2.20 -1.26 -5.10 119.74 121.63 1jfw s LYS 71 Ca 0.00 -1.10 -0.14 0.00 -0.36 0.00 0.00 55.97 54.37 1jfw s LYS 71 Cb 0.00 -2.61 0.05 0.00 -1.51 0.00 0.00 37.83 33.75 1jfw s LYS 71 CO 0.00 -0.66 1.77 1.96 -0.36 0.00 0.00 175.35 178.06 1jfw h GLN 72 N 7.92 0.71 -5.62 4.03 1.08 -1.89 -3.23 115.11 118.11 1jfw h GLN 72 Ca -0.16 -0.08 -0.39 0.00 -1.45 0.00 0.00 58.65 56.57 1jfw h GLN 72 Cb 1.06 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 28.30 1jfw h GLN 72 CO 0.43 0.55 1.18 -2.14 -0.95 0.00 0.00 178.83 177.90 1jfw s PRO 73 N -5.85 2.79 -1.37 1.46 0.02 -1.26 -4.46 135.00 126.32 1jfw s PRO 73 Ca -0.13 -1.08 -0.16 0.00 0.02 0.00 0.00 61.00 59.66 1jfw s PRO 73 Cb 0.12 -5.25 0.04 0.00 0.02 0.00 0.00 34.50 29.43 1jfw s PRO 73 CO 0.76 -3.49 2.05 2.41 -0.33 0.00 0.00 177.00 178.39 1jfw n THR 74 N 7.57 3.52 0.00 0.99 -1.04 -1.22 -4.90 114.28 119.20 1jfw n THR 74 Ca 0.44 -3.30 0.00 0.00 -2.04 0.00 0.00 64.05 59.14 1jfw n THR 74 Cb 0.47 -2.50 0.00 0.00 -1.82 0.00 0.00 70.33 66.48 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 7.10 0.00 -3.80 8.00 3.41 -1.26 -4.35 113.62 122.72 1jfw n SER 75 Ca 0.51 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.82 1jfw n SER 75 Cb 0.42 0.00 -0.15 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 0.94 -1.12 4.33 -0.21 -1.26 -5.09 119.66 117.25 1jfw s GLN 76 Ca 0.00 -1.34 -0.22 0.00 0.02 0.00 0.00 55.36 53.82 1jfw s GLN 76 Cb 0.00 -2.31 0.01 0.00 1.00 0.00 0.00 33.01 31.71 1jfw s GLN 76 CO 0.00 -0.99 1.73 -1.25 -2.12 0.00 0.00 175.29 172.66 1jfw s PRO 77 N 1.35 3.32 -1.10 2.91 0.04 -1.26 -4.93 135.00 135.32 1jfw s PRO 77 Ca 0.11 -1.26 -0.21 0.00 0.04 0.00 0.00 61.00 59.67 1jfw s PRO 77 Cb -0.18 -5.34 0.06 0.00 0.04 0.00 0.00 34.50 29.08 1jfw s PRO 77 CO -0.19 -2.79 1.52 1.03 0.04 0.00 0.00 177.00 176.62 1jfw s ARG 78 N 5.40 3.72 0.00 4.56 0.52 -1.26 -4.08 118.95 127.80 1jfw s ARG 78 Ca 0.57 -1.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.36 1jfw s ARG 78 Cb -0.00 -5.39 0.00 0.00 0.52 0.00 0.00 34.95 30.08 1jfw s ARG 78 CO 0.02 -2.20 0.00 0.41 0.02 0.00 0.00 175.30 173.55 1jfw n GLY 79 N 6.36 2.51 2.37 -3.53 0.00 -1.26 -4.77 105.19 106.87 1jfw n GLY 79 Ca 0.37 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 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 -6.01 -4.14 1.61 10.43 -1.18 -4.08 116.55 113.18 1jfw n ASP 80 Ca 0.00 0.59 -0.43 0.00 2.57 0.00 0.00 54.79 57.53 1jfw n ASP 80 Cb 0.00 -3.93 0.00 0.00 1.84 0.00 0.00 41.12 39.03 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 -0.04 3.21 0.00 -0.24 -0.04 -1.26 -4.24 135.00 132.39 1jfw n PRO 81 Ca 0.05 -3.22 0.00 0.00 -0.04 0.00 0.00 63.50 60.29 1jfw n PRO 81 Cb 0.19 -3.23 0.00 0.00 -0.04 0.00 0.00 33.50 30.42 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 5.01 0.00 0.00 0.52 -1.04 -1.26 -4.94 114.28 112.57 1jfw n THR 82 Ca 0.46 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 1jfw n THR 82 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 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 -0.48 0.63 3.43 3.41 0.00 -1.26 -4.91 105.19 106.00 1jfw n GLY 83 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1jfw n GLY 83 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jfw n PRO 84 N 0.00 -1.83 -3.47 1.61 -0.02 -1.26 -4.51 135.00 125.52 1jfw n PRO 84 Ca 0.00 -0.50 -0.21 0.00 -2.02 0.00 0.00 63.50 60.77 1jfw n PRO 84 Cb 0.00 -2.02 -0.12 0.00 -0.02 0.00 0.00 33.50 31.34 1jfw n PRO 84 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1jfw s LYS 85 N -4.06 0.24 0.00 -0.52 2.36 -1.26 -4.91 119.74 111.59 1jfw s LYS 85 Ca 0.64 -0.13 0.15 0.00 -2.55 0.00 0.00 55.97 54.07 1jfw s LYS 85 Cb -0.21 -0.98 0.12 0.00 -1.05 0.00 0.00 37.83 35.71 1jfw s LYS 85 CO 0.65 -0.91 0.97 -0.85 1.55 0.00 0.00 175.35 176.76