#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 -1.17 2.12 2.13 -1.26 -4.57 120.64 117.89 1jfw n GLU 2 Ca 0.00 0.06 -0.26 0.00 0.66 0.00 0.00 57.16 57.62 1jfw n GLU 2 Cb 0.00 -0.36 -0.10 0.00 0.27 0.00 0.00 31.44 31.25 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 -1.31 2.88 -0.06 5.31 -0.04 -1.23 -4.63 135.00 135.92 1jfw n PRO 3 Ca 0.00 -1.64 -0.14 0.00 -0.04 0.00 0.00 63.50 61.68 1jfw n PRO 3 Cb 0.00 -2.40 -0.07 0.00 -0.04 0.00 0.00 33.50 30.99 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 2.50 1.35 -2.92 0.52 2.07 -1.81 -2.09 116.25 115.87 1jfw h VAL 4 Ca 0.54 -1.43 -0.53 0.00 0.82 0.00 0.00 66.70 66.09 1jfw h VAL 4 Cb 0.89 1.92 0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1jfw h VAL 4 CO 1.02 0.43 0.80 -1.81 0.02 0.00 0.00 177.57 178.02 1jfw s ASP 5 N -6.27 6.76 -1.12 0.57 1.01 -1.26 -4.65 116.67 111.71 1jfw s ASP 5 Ca -0.14 2.36 -0.22 0.00 0.71 0.00 0.00 52.55 55.27 1jfw s ASP 5 Cb 0.06 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 1jfw s ASP 5 CO 0.77 -0.72 1.81 -2.16 0.21 0.00 0.00 175.17 175.09 1jfw s PRO 6 N 1.46 3.05 -0.50 8.23 0.04 -1.26 -4.76 135.00 141.25 1jfw s PRO 6 Ca 0.66 -1.15 0.07 0.00 0.04 0.00 0.00 61.00 60.62 1jfw s PRO 6 Cb -0.38 -5.29 0.20 0.00 0.04 0.00 0.00 34.50 29.08 1jfw s PRO 6 CO 0.30 -3.14 0.73 -2.13 0.04 0.00 0.00 177.00 172.80 1jfw n ARG 7 N 8.54 0.58 -4.64 4.56 0.63 -1.26 -4.60 116.66 120.47 1jfw n ARG 7 Ca 0.43 -2.10 -0.24 0.00 -0.92 0.00 0.00 57.85 55.02 1jfw n ARG 7 Cb 0.47 -1.48 -0.14 0.00 0.45 0.00 0.00 32.46 31.76 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 0.29 2.11 0.21 6.15 1.43 -1.26 -5.00 118.68 122.61 1jfw s LEU 8 Ca 0.31 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 1jfw s LEU 8 Cb 0.07 -0.84 0.16 0.00 0.03 0.00 0.00 46.19 45.62 1jfw s LEU 8 CO -0.12 0.15 1.87 1.05 0.23 0.00 0.00 176.35 179.53 1jfw h GLU 9 N 5.25 1.03 -5.67 1.70 9.09 -2.03 -3.24 114.58 120.72 1jfw h GLU 9 Ca -0.39 -0.07 -0.42 0.00 0.05 0.00 0.00 59.36 58.53 1jfw h GLU 9 Cb 1.16 -0.23 -0.06 0.00 -1.65 0.00 0.00 28.75 27.98 1jfw h GLU 9 CO 0.46 0.70 1.24 -1.25 0.05 0.00 0.00 179.01 180.21 1jfw s PRO 10 N -6.08 2.91 -1.09 1.06 0.04 -1.26 -4.96 135.00 125.62 1jfw s PRO 10 Ca -0.13 -1.10 -0.20 0.00 0.04 0.00 0.00 61.00 59.62 1jfw s PRO 10 Cb 0.15 -5.27 0.09 0.00 0.04 0.00 0.00 34.50 29.51 1jfw s PRO 10 CO 0.79 -3.32 1.45 -0.46 0.04 0.00 0.00 177.00 175.50 1jfw s TRP 11 N 8.86 2.82 -0.36 0.56 -0.00 -1.22 -4.64 118.94 124.96 1jfw s TRP 11 Ca 0.64 -1.29 0.14 0.00 -0.00 0.00 0.00 56.10 55.59 1jfw s TRP 11 Cb -0.01 -4.58 0.38 0.00 -0.00 0.00 0.00 33.47 29.25 1jfw s TRP 11 CO 0.06 -1.75 0.79 1.17 -0.00 0.00 0.00 176.95 177.22 1jfw n LYS 12 N 7.92 1.05 -3.94 5.86 4.81 -1.26 -5.09 118.16 127.51 1jfw n LYS 12 Ca 0.35 -3.36 -0.31 0.00 -0.87 0.00 0.00 58.31 54.12 1jfw n LYS 12 Cb 0.49 -1.59 -0.14 0.00 0.02 0.00 0.00 35.03 33.81 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 -2.64 3.28 0.13 5.64 2.46 -1.26 -4.05 115.29 118.85 1jfw s HIS 13 Ca 0.37 -3.12 -0.09 0.00 0.47 0.00 0.00 55.06 52.68 1jfw s HIS 13 Cb 0.38 -2.87 -0.08 0.00 -0.13 0.00 0.00 32.58 29.88 1jfw s HIS 13 CO -0.05 -0.78 1.36 -1.00 -2.47 0.00 0.00 174.74 171.80 1jfw h PRO 14 N 6.70 0.71 0.00 2.88 0.13 -1.82 -3.43 132.00 137.17 1jfw h PRO 14 Ca -0.07 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1jfw h PRO 14 Cb 0.91 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1jfw h PRO 14 CO 0.67 1.17 0.00 0.41 -0.23 0.00 0.00 178.00 180.02 1jfw n GLY 15 N 0.60 1.93 3.15 1.56 0.00 -1.26 -4.53 105.19 106.65 1jfw n GLY 15 Ca -0.06 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.36 0.00 1.61 0.01 -1.26 -4.48 113.70 104.22 1jfw s SER 16 Ca 0.00 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1jfw s SER 16 Cb 0.00 2.00 0.00 0.00 0.21 0.00 0.00 66.02 68.23 1jfw s SER 16 CO 0.00 -0.25 0.00 1.67 0.41 0.00 0.00 173.24 175.07 1jfw n GLN 17 N 5.41 0.00 -2.30 12.44 -0.06 -1.26 -4.91 117.38 126.69 1jfw n GLN 17 Ca 0.02 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.67 1jfw n GLN 17 Cb 0.53 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.67 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 -0.74 3.14 -0.35 3.69 0.04 -1.26 -4.98 135.00 134.53 1jfw s PRO 18 Ca 0.00 -1.31 -0.23 0.00 0.04 0.00 0.00 61.00 59.49 1jfw s PRO 18 Cb 0.00 -5.33 0.01 0.00 0.04 0.00 0.00 34.50 29.22 1jfw s PRO 18 CO 0.00 -3.10 0.78 0.21 0.04 0.00 0.00 177.00 174.93 1jfw s LYS 19 N 5.61 3.80 0.00 4.56 2.20 -1.26 -1.07 119.74 133.57 1jfw s LYS 19 Ca 0.61 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 1jfw s LYS 19 Cb 0.00 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 1jfw s LYS 19 CO 0.07 -0.81 0.00 2.41 -0.36 0.00 0.00 175.35 176.65 1jfw n THR 20 N 5.73 0.00 -2.23 3.43 -1.04 -1.26 -4.98 114.28 113.94 1jfw n THR 20 Ca 0.03 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.61 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 -1.39 5.02 -0.44 2.41 0.00 -1.26 -4.77 120.51 120.08 1jfw n ALA 21 Ca 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 53.44 49.35 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 -0.69 0.00 0.00 -1.32 -1.26 -4.49 115.64 107.88 1jfw s THR 23 Ca 0.00 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 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 0.01 0.00 0.41 -2.21 0.00 0.00 174.62 172.83 1jfw n THR 24 N 5.39 -1.99 -3.30 5.08 -1.04 -0.23 -4.27 114.28 113.92 1jfw n THR 24 Ca -0.07 0.05 -0.09 0.00 -2.04 0.00 0.00 64.05 61.89 1jfw n THR 24 Cb 0.50 -1.89 -0.06 0.00 -1.82 0.00 0.00 70.33 67.06 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 5.11 -1.56 0.00 0.00 4.01 0.38 -1.93 117.16 123.17 1jfw n TYR 26 Ca 0.03 0.55 0.00 0.00 -0.16 0.00 0.00 57.90 58.33 1jfw n TYR 26 Cb 0.49 -3.43 0.00 0.00 -0.31 0.00 0.00 39.34 36.09 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 0.07 0.00 2.10 -1.89 -2.33 116.57 114.52 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 -0.04 0.87 -2.00 0.00 0.00 179.45 178.58 1jfw h LYS 29 N 0.00 -0.09 -2.64 0.07 1.79 -1.61 -3.46 116.57 110.63 1jfw h LYS 29 Ca -0.00 0.01 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 1jfw h LYS 29 Cb 0.83 0.02 -0.39 0.00 -1.58 0.00 0.00 32.23 31.11 1jfw h LYS 29 CO 0.04 -0.06 -0.83 0.00 -1.08 0.00 0.00 179.45 177.51 1jfw n PHE 32 N -2.27 0.00 -2.71 0.00 3.72 -0.88 -4.50 117.46 110.82 1jfw n PHE 32 Ca -0.03 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.16 1jfw n PHE 32 Cb 0.55 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.15 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 2.43 0.00 1.38 3.76 -1.26 -4.20 115.29 117.40 1jfw s HIS 33 Ca 0.00 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 1jfw s HIS 33 Cb 0.00 -2.71 0.00 0.00 1.11 0.00 0.00 32.58 30.98 1jfw s HIS 33 CO 0.00 -1.03 0.32 0.00 -0.85 0.00 0.00 174.74 173.18 1jfw n GLN 35 N -0.69 0.24 -2.55 0.00 6.02 -1.26 -0.47 117.38 118.67 1jfw n GLN 35 Ca 0.00 -3.13 -0.43 0.00 -0.01 0.00 0.00 57.00 53.43 1jfw n GLN 35 Cb 0.00 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 29.64 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 2.73 4.29 -0.05 5.09 3.14 -1.26 -4.85 118.33 127.42 1jfw n VAL 36 Ca 0.29 -4.49 -0.02 0.00 -2.96 0.00 0.00 64.34 57.16 1jfw n VAL 36 Cb 0.49 -2.40 -0.01 0.00 -1.06 0.00 0.00 33.84 30.86 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 -4.34 0.00 -0.26 0.00 3.72 -1.26 -4.52 117.46 110.80 1jfw n PHE 38 Ca -0.03 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.38 1jfw n PHE 38 Cb 0.13 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.26 -0.83 4.37 1.03 -1.77 -3.07 112.91 112.89 1jfw h THR 39 Ca 0.00 -0.00 0.06 0.00 -0.01 0.00 0.00 66.41 66.46 1jfw h THR 39 Cb 0.00 0.26 -0.05 0.00 -1.07 0.00 0.00 68.15 67.29 1jfw h THR 39 CO 0.00 0.00 0.55 0.74 -0.01 0.00 0.00 175.52 176.80 1jfw h THR 40 N 0.00 1.07 0.07 0.00 2.02 -1.81 -2.25 112.91 112.02 1jfw h THR 40 Ca 0.36 -0.33 -0.20 0.00 0.77 0.00 0.00 66.41 67.01 1jfw h THR 40 Cb 0.54 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1jfw h THR 40 CO -0.76 0.17 -1.00 0.11 0.37 0.00 0.00 175.52 174.41 1jfw h LYS 41 N 0.95 0.16 0.00 6.66 1.57 -1.94 -3.43 116.57 120.55 1jfw h LYS 41 Ca 0.35 -0.27 -0.34 0.00 -1.87 0.00 0.00 60.65 58.52 1jfw h LYS 41 Cb 0.17 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 1jfw h LYS 41 CO -0.12 1.13 -2.25 0.00 -0.57 0.00 0.00 179.45 177.64 1jfw n ALA 42 N -2.93 1.53 -3.55 3.86 0.00 -1.16 -2.95 120.51 115.30 1jfw n ALA 42 Ca -0.22 -0.92 -0.22 0.00 0.00 0.00 0.00 53.44 52.08 1jfw n ALA 42 Cb 0.76 0.05 -0.15 0.00 0.00 0.00 0.00 19.45 20.11 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 -6.51 0.10 0.00 0.00 1.43 -0.85 -3.38 118.68 109.47 1jfw s LEU 43 Ca -0.30 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1jfw s LEU 43 Cb 0.09 0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.40 1jfw s LEU 43 CO 0.48 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1jfw n GLY 44 N 5.30 0.63 0.00 -3.19 0.00 -1.19 -4.40 105.19 102.33 1jfw n GLY 44 Ca -0.06 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 5.78 0.00 -3.22 -0.61 5.41 -0.79 -1.09 119.36 124.85 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 -0.10 1.62 -3.79 4.38 3.41 -1.26 -4.20 113.62 113.68 1jfw n SER 46 Ca 0.00 -3.04 -0.25 0.00 -0.26 0.00 0.00 58.87 55.31 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 -2.00 0.98 0.00 7.33 2.02 -0.25 -4.86 117.35 120.57 1jfw s TYR 47 Ca 0.39 -0.53 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1jfw s TYR 47 Cb 0.22 -0.97 0.00 0.00 -0.40 0.00 0.00 41.96 40.80 1jfw s TYR 47 CO -0.08 -0.46 0.00 0.41 -1.57 0.00 0.00 175.55 173.84 1jfw n GLY 48 N 5.07 1.51 0.06 0.71 0.00 -1.15 -3.19 105.19 108.19 1jfw n GLY 48 Ca -0.09 0.34 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.00 1.61 -0.00 -1.87 -3.48 114.38 110.64 1jfw h ARG 49 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1jfw h ARG 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1jfw h ARG 49 CO 0.00 0.62 0.00 0.36 0.00 0.00 0.00 179.97 180.95 1jfw n LYS 50 N -4.79 0.00 -2.50 0.04 2.85 -1.22 -4.67 118.16 107.88 1jfw n LYS 50 Ca -0.09 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.74 1jfw n LYS 50 Cb 0.31 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.69 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 3.41 -4.02 -1.58 4.76 -1.26 -4.46 118.16 115.01 1jfw n LYS 51 Ca 0.00 -3.51 -0.30 0.00 -2.87 0.00 0.00 58.31 51.63 1jfw n LYS 51 Cb 0.00 -3.06 -0.16 0.00 -1.84 0.00 0.00 35.03 29.97 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 1.46 2.26 -1.18 1.97 6.06 -1.26 -5.09 118.95 123.17 1jfw s ARG 52 Ca 0.43 -0.68 -0.20 0.00 -2.50 0.00 0.00 55.73 52.78 1jfw s ARG 52 Cb 0.05 -2.25 0.07 0.00 0.06 0.00 0.00 34.95 32.88 1jfw s ARG 52 CO 0.00 -0.30 1.60 0.50 -2.50 0.00 0.00 175.30 174.60 1jfw s ARG 53 N 1.44 3.83 -0.02 5.12 6.06 -1.26 -3.58 118.95 130.54 1jfw s ARG 53 Ca 0.03 -1.67 -0.00 0.00 -2.50 0.00 0.00 55.73 51.58 1jfw s ARG 53 Cb -0.14 -5.44 0.03 0.00 0.06 0.00 0.00 34.95 29.46 1jfw s ARG 53 CO -0.10 -2.21 0.03 -1.14 -2.50 0.00 0.00 175.30 169.38 1jfw s GLN 54 N 4.39 -0.03 0.00 5.12 2.00 -1.26 -5.08 119.66 124.80 1jfw s GLN 54 Ca 0.50 0.16 0.00 0.00 -2.00 0.00 0.00 55.36 54.02 1jfw s GLN 54 Cb 0.02 -0.21 0.00 0.00 0.80 0.00 0.00 33.01 33.62 1jfw s GLN 54 CO 0.00 -0.14 0.00 0.54 -0.50 0.00 0.00 175.29 175.19 1jfw n ARG 55 N 4.00 0.00 -3.27 1.67 1.74 -1.26 -4.28 116.66 115.27 1jfw n ARG 55 Ca -0.25 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.69 1jfw n ARG 55 Cb 0.52 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.97 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 -0.87 -1.70 -1.40 5.56 0.63 -1.26 -4.60 116.66 113.02 1jfw n ARG 56 Ca 0.00 1.44 -0.49 0.00 -0.92 0.00 0.00 57.85 57.87 1jfw n ARG 56 Cb 0.00 -4.32 -0.13 0.00 0.45 0.00 0.00 32.46 28.46 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 -1.44 0.14 -0.12 -0.14 0.63 -1.26 -4.96 116.66 109.51 1jfw n ARG 57 Ca -0.07 0.02 -0.13 0.00 -0.92 0.00 0.00 57.85 56.76 1jfw n ARG 57 Cb 0.57 -1.68 -0.02 0.00 0.45 0.00 0.00 32.46 31.78 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 11.19 0.90 -1.89 -0.14 0.13 -1.87 -3.35 132.00 136.97 1jfw h PRO 58 Ca -0.10 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1jfw h PRO 58 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1jfw h PRO 58 CO 1.23 1.10 0.00 -0.35 -0.23 0.00 0.00 178.00 179.75 1jfw n PRO 59 N -4.13 0.80 -2.23 1.56 -0.04 -1.26 -4.26 135.00 125.44 1jfw n PRO 59 Ca -0.02 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.01 1jfw n PRO 59 Cb 0.51 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 1.46 3.16 0.00 0.54 7.27 -1.26 -4.07 117.38 124.49 1jfw n GLN 60 Ca 0.00 -3.12 0.00 0.00 0.07 0.00 0.00 57.00 53.95 1jfw n GLN 60 Cb 0.40 -3.24 0.00 0.00 2.41 0.00 0.00 30.24 29.81 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 4.18 -0.42 0.00 1.69 0.00 -1.26 -5.11 105.19 104.27 1jfw n GLY 61 Ca 0.47 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -3.94 1.61 2.88 -1.26 -4.97 113.62 107.94 1jfw n SER 62 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1jfw n SER 62 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 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 1.49 1.75 0.01 -1.46 -0.21 -0.97 -4.76 119.66 115.50 1jfw s GLN 63 Ca 0.00 -0.40 -0.25 0.00 0.02 0.00 0.00 55.36 54.73 1jfw s GLN 63 Cb 0.00 -1.83 -0.16 0.00 1.00 0.00 0.00 33.01 32.03 1jfw s GLN 63 CO 0.00 -0.29 1.16 1.79 -2.12 0.00 0.00 175.29 175.83 1jfw h THR 64 N 6.18 0.43 0.00 -0.19 1.35 -1.89 -2.84 112.91 115.96 1jfw h THR 64 Ca -0.31 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1jfw h THR 64 Cb 1.13 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1jfw h THR 64 CO 0.44 0.07 0.00 1.41 -0.25 0.00 0.00 175.52 177.19 1jfw n HIS 65 N -5.22 0.00 -3.32 4.73 8.25 -1.26 -1.32 115.22 117.07 1jfw n HIS 65 Ca -0.10 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.10 1jfw n HIS 65 Cb 0.30 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.33 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 1.53 0.00 -0.41 7.27 -1.21 -4.33 117.38 120.24 1jfw n GLN 66 Ca 0.00 -3.90 0.00 0.00 0.07 0.00 0.00 57.00 53.17 1jfw n GLN 66 Cb 0.00 -1.72 0.00 0.00 2.41 0.00 0.00 30.24 30.93 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 1.22 0.00 -0.78 1.69 0.31 -0.44 -4.52 118.33 115.81 1jfw n VAL 67 Ca 0.25 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1jfw n VAL 67 Cb 0.47 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 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 -2.38 -4.44 -4.56 4.52 3.41 -1.26 -4.84 113.62 104.07 1jfw n SER 68 Ca 0.00 0.80 -0.36 0.00 -0.26 0.00 0.00 58.87 59.05 1jfw n SER 68 Cb 0.00 -1.96 -0.04 0.00 -0.26 0.00 0.00 64.21 61.95 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 -3.57 3.27 0.00 1.04 0.20 -1.26 -4.32 118.68 114.04 1jfw s LEU 69 Ca 0.00 -0.55 0.00 0.00 0.69 0.00 0.00 54.13 54.27 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 -2.21 0.00 -1.54 -0.29 0.00 0.00 176.35 172.31 1jfw n SER 70 N 11.69 0.00 -3.64 3.68 3.41 -1.26 -5.09 113.62 122.40 1jfw n SER 70 Ca 0.27 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.59 1jfw n SER 70 Cb 0.50 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.43 0.15 4.33 2.20 -1.26 -5.11 119.74 120.48 1jfw s LYS 71 Ca 0.00 -0.66 -0.14 0.00 -0.36 0.00 0.00 55.97 54.81 1jfw s LYS 71 Cb 0.00 -1.65 0.04 0.00 -1.51 0.00 0.00 37.83 34.70 1jfw s LYS 71 CO 0.00 -0.92 1.74 1.96 -0.36 0.00 0.00 175.35 177.77 1jfw h GLN 72 N 8.28 0.70 -5.18 4.03 1.08 -1.87 -3.24 115.11 118.90 1jfw h GLN 72 Ca -0.17 -0.10 -0.45 0.00 -1.45 0.00 0.00 58.65 56.48 1jfw h GLN 72 Cb 1.04 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 1jfw h GLN 72 CO 0.42 0.58 1.52 -2.30 -0.95 0.00 0.00 178.83 178.10 1jfw n PRO 73 N -4.63 1.68 -1.65 1.46 -0.02 -1.26 -4.63 135.00 125.95 1jfw n PRO 73 Ca 0.02 -2.33 -0.39 0.00 -2.02 0.00 0.00 63.50 58.77 1jfw n PRO 73 Cb 0.11 -3.47 -0.02 0.00 -0.02 0.00 0.00 33.50 30.10 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 7.16 4.78 0.00 3.45 -1.04 -1.23 -4.87 114.28 122.53 1jfw n THR 74 Ca 0.47 -3.44 0.00 0.00 -2.04 0.00 0.00 64.05 59.04 1jfw n THR 74 Cb 0.45 -2.34 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 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 2.65 0.00 -3.86 8.00 3.41 -1.26 -4.54 113.62 118.01 1jfw n SER 75 Ca 0.71 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 59.18 1jfw n SER 75 Cb 0.24 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.10 -0.88 4.33 -0.21 -1.26 -5.11 119.66 116.63 1jfw s GLN 76 Ca 0.00 0.01 -0.25 0.00 0.02 0.00 0.00 55.36 55.14 1jfw s GLN 76 Cb 0.00 -0.17 -0.01 0.00 1.00 0.00 0.00 33.01 33.84 1jfw s GLN 76 CO 0.00 -0.02 1.72 -1.25 -2.12 0.00 0.00 175.29 173.61 1jfw s PRO 77 N 0.28 2.95 -1.28 2.91 0.04 -1.26 -4.93 135.00 133.71 1jfw s PRO 77 Ca -0.02 -0.42 -0.15 0.00 0.04 0.00 0.00 61.00 60.45 1jfw s PRO 77 Cb -0.04 -4.98 0.12 0.00 0.04 0.00 0.00 34.50 29.64 1jfw s PRO 77 CO -0.01 -2.81 1.68 0.54 0.04 0.00 0.00 177.00 176.44 1jfw n ARG 78 N 8.96 3.30 0.00 4.56 1.74 -1.26 -4.21 116.66 129.75 1jfw n ARG 78 Ca 0.32 -3.49 0.00 0.00 -0.77 0.00 0.00 57.85 53.90 1jfw n ARG 78 Cb 0.49 -3.20 0.00 0.00 -1.02 0.00 0.00 32.46 28.73 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 4.34 2.40 2.27 -0.13 0.00 -1.26 -4.94 105.19 107.88 1jfw n GLY 79 Ca 0.43 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 -5.22 -4.15 1.61 10.43 -1.23 -3.28 116.55 114.72 1jfw n ASP 80 Ca 0.00 0.92 -0.43 0.00 2.57 0.00 0.00 54.79 57.85 1jfw n ASP 80 Cb 0.00 -3.79 0.00 0.00 1.84 0.00 0.00 41.12 39.17 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 0.54 3.26 0.00 -0.24 -0.04 -1.26 -4.25 135.00 133.00 1jfw n PRO 81 Ca -0.04 -3.30 0.00 0.00 -0.04 0.00 0.00 63.50 60.13 1jfw n PRO 81 Cb 0.06 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.33 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 4.85 0.00 -0.03 0.52 -1.04 -1.26 -4.93 114.28 112.39 1jfw n THR 82 Ca 0.45 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 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 -0.01 0.97 3.75 3.41 0.00 -1.26 -4.84 105.19 107.21 1jfw n GLY 83 Ca 0.00 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.26 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 3.19 -0.01 1.61 0.02 -1.26 -4.26 135.00 134.29 1jfw s PRO 84 Ca 0.00 2.20 -0.28 0.00 0.02 0.00 0.00 61.00 62.94 1jfw s PRO 84 Cb 0.00 -2.27 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 1jfw s PRO 84 CO 0.00 -1.14 0.90 0.21 -0.33 0.00 0.00 177.00 176.64 1jfw s LYS 85 N -2.89 4.53 0.00 5.54 2.20 -1.26 -5.10 119.74 122.76 1jfw s LYS 85 Ca 0.71 1.27 0.25 0.00 -0.36 0.00 0.00 55.97 57.84 1jfw s LYS 85 Cb -0.40 -3.45 1.48 0.00 -1.51 0.00 0.00 37.83 33.96 1jfw s LYS 85 CO 0.47 -0.01 1.84 -0.85 -0.36 0.00 0.00 175.35 176.45