#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfu s THR 5 N 0.00 5.02 0.00 0.52 2.01 -1.26 -5.04 115.64 116.90 1jfu s THR 5 Ca 0.00 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1jfu s THR 5 Cb 0.00 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1jfu s THR 5 CO 0.00 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.64 1jfu n GLY 6 N 0.25 -2.68 3.67 4.40 0.00 -1.26 -4.71 105.19 104.86 1jfu n GLY 6 Ca -0.07 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 1jfu n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jfu n ASP 7 N -1.26 4.01 0.13 1.61 -0.08 -1.26 -4.88 116.55 114.82 1jfu n ASP 7 Ca 0.00 0.94 0.12 0.00 -1.51 0.00 0.00 54.79 54.34 1jfu n ASP 7 Cb 0.00 -1.50 0.64 0.00 2.34 0.00 0.00 41.12 42.60 1jfu n ASP 7 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1jfu h PRO 8 N 9.81 0.05 0.00 -0.67 0.11 -1.93 0.84 132.00 140.21 1jfu h PRO 8 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1jfu h PRO 8 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jfu h PRO 8 CO 0.94 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 1jfu n ALA 9 N -2.57 1.57 0.30 -0.75 0.00 -1.26 -1.92 120.51 115.87 1jfu n ALA 9 Ca 0.03 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1jfu n ALA 9 Cb 0.29 -1.21 0.26 0.00 0.00 0.00 0.00 19.45 18.79 1jfu n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jfu h ARG 11 N 3.50 0.95 -0.21 0.00 3.08 -1.52 -2.75 114.38 117.43 1jfu h ARG 11 Ca 0.00 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1jfu h ARG 11 Cb 0.79 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1jfu h ARG 11 CO 0.00 0.83 -0.03 0.00 -1.07 0.00 0.00 179.97 179.70 1jfu h ALA 12 N 1.28 1.57 -0.56 0.04 0.00 -1.83 -1.63 119.26 118.13 1jfu h ALA 12 Ca 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1jfu h ALA 12 Cb 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1jfu h ALA 12 CO -0.01 0.31 0.18 0.00 0.00 0.00 0.00 179.25 179.74 1jfu h ALA 13 N 1.68 1.27 -0.42 0.00 0.00 -1.78 0.12 119.26 120.13 1jfu h ALA 13 Ca 0.07 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1jfu h ALA 13 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1jfu h ALA 13 CO 0.01 0.52 -0.16 0.28 0.00 0.00 0.00 179.25 179.90 1jfu h VAL 14 N 0.81 1.28 -0.20 0.00 2.07 -1.31 0.35 116.25 119.25 1jfu h VAL 14 Ca 0.19 -1.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 1jfu h VAL 14 Cb 0.23 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1jfu h VAL 14 CO -0.01 0.43 -0.19 0.00 0.02 0.00 0.00 177.57 177.82 1jfu h ALA 15 N 0.84 1.31 -0.40 1.67 0.00 -0.79 0.92 119.26 122.81 1jfu h ALA 15 Ca 0.10 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1jfu h ALA 15 Cb 0.71 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1jfu h ALA 15 CO 0.05 0.47 -0.05 1.15 0.00 0.00 0.00 179.25 180.87 1jfu h THR 16 N 0.32 1.27 -0.54 0.00 2.02 -0.15 -1.77 112.91 114.06 1jfu h THR 16 Ca 0.06 -1.11 0.06 0.00 0.77 0.00 0.00 66.41 66.18 1jfu h THR 16 Cb 0.52 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 68.07 1jfu h THR 16 CO 0.03 0.37 0.26 0.00 0.37 0.00 0.00 175.52 176.56 1jfu h ALA 17 N 0.86 0.70 -0.59 6.16 0.00 0.55 -0.74 119.26 126.20 1jfu h ALA 17 Ca 0.11 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1jfu h ALA 17 Cb 0.55 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1jfu h ALA 17 CO 0.03 -0.10 0.08 1.96 0.00 0.00 0.00 179.25 181.22 1jfu h GLN 18 N 0.50 0.96 -0.56 0.00 4.20 -0.70 -1.02 115.11 118.49 1jfu h GLN 18 Ca 0.25 -0.25 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1jfu h GLN 18 Cb 0.19 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1jfu h GLN 18 CO -0.19 0.90 0.05 -0.22 -0.67 0.00 0.00 178.83 178.70 1jfu h LYS 19 N 0.90 0.95 -0.02 1.46 3.64 -0.72 -3.15 116.57 119.65 1jfu h LYS 19 Ca 0.18 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1jfu h LYS 19 Cb 0.42 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1jfu h LYS 19 CO 0.01 0.93 -0.20 0.44 -2.27 0.00 0.00 179.45 178.37 1jfu n ILE 20 N -4.30 0.00 -0.33 2.00 -5.35 -0.34 -4.50 119.36 106.54 1jfu n ILE 20 Ca 0.02 -0.26 0.13 0.00 -0.27 0.00 0.00 62.75 62.38 1jfu n ILE 20 Cb 0.30 0.82 0.32 0.00 -1.74 0.00 0.00 39.64 39.33 1jfu n ILE 20 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jfu h ALA 21 N 4.08 1.56 0.00 -1.28 0.00 -1.14 0.15 119.26 122.63 1jfu h ALA 21 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jfu h ALA 21 Cb 0.65 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jfu h ALA 21 CO 0.00 -0.21 0.00 -1.35 0.00 0.00 0.00 179.25 177.69 1jfu h PRO 22 N 0.57 0.00 0.00 0.00 0.11 -1.81 -1.29 132.00 129.58 1jfu h PRO 22 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1jfu h PRO 22 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1jfu h PRO 22 CO -0.45 0.00 -0.52 1.28 -0.21 0.00 0.00 178.00 178.09 1jfu n LEU 23 N -2.53 0.52 -4.30 2.35 4.77 0.53 -4.57 117.00 113.76 1jfu n LEU 23 Ca -0.01 0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.58 1jfu n LEU 23 Cb 0.11 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1jfu n LEU 23 CO 0.16 0.10 1.95 0.00 -1.33 0.00 0.00 177.39 178.26 1jfu n ALA 24 N -1.55 4.23 -3.59 -1.18 0.00 -0.49 -4.74 120.51 113.20 1jfu n ALA 24 Ca 0.05 -4.02 -0.11 0.00 0.00 0.00 0.00 53.44 49.36 1jfu n ALA 24 Cb 0.35 -3.36 -0.03 0.00 0.00 0.00 0.00 19.45 16.40 1jfu n ALA 24 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1jfu n HIS 25 N 6.65 -0.46 0.00 0.00 1.44 -1.26 -4.27 115.22 117.32 1jfu n HIS 25 Ca 0.45 -1.32 0.00 0.00 -2.01 0.00 0.00 57.72 54.85 1jfu n HIS 25 Cb 0.43 0.16 0.00 0.00 0.12 0.00 0.00 29.99 30.69 1jfu n HIS 25 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1jfu n GLY 26 N -0.30 3.41 0.33 -1.39 0.00 -1.26 -1.37 105.19 104.60 1jfu n GLY 26 Ca 0.03 0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.24 1jfu n GLY 26 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jfu h GLU 27 N 0.00 0.00 -0.08 1.61 4.39 -1.95 -1.70 114.58 116.85 1jfu h GLU 27 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1jfu h GLU 27 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1jfu h GLU 27 CO 0.00 0.00 -0.18 1.33 -1.16 0.00 0.00 179.01 179.00 1jfu n VAL 28 N -3.77 2.13 0.29 3.13 0.24 -0.47 -4.31 118.33 115.57 1jfu n VAL 28 Ca 0.00 -2.61 0.18 0.00 -2.04 0.00 0.00 64.34 59.87 1jfu n VAL 28 Cb 0.25 -0.25 0.97 0.00 -1.47 0.00 0.00 33.84 33.34 1jfu n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jfu h ALA 29 N 0.68 1.44 -0.00 2.33 0.00 -0.97 -2.02 119.26 120.72 1jfu h ALA 29 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jfu h ALA 29 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1jfu h ALA 29 CO 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 179.25 179.15 1jfu n ALA 30 N -2.21 2.69 -2.10 0.00 0.00 -1.26 -4.80 120.51 112.83 1jfu n ALA 30 Ca -0.01 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 1jfu n ALA 30 Cb 0.18 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1jfu n ALA 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jfu s LEU 31 N -2.24 4.36 -0.28 0.00 1.43 -0.76 -4.61 118.68 116.59 1jfu s LEU 31 Ca 0.36 2.38 -0.08 0.00 -1.03 0.00 0.00 54.13 55.76 1jfu s LEU 31 Cb 0.21 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.83 1jfu s LEU 31 CO 0.41 -0.72 0.11 -0.89 0.23 0.00 0.00 176.35 175.50 1jfu s THR 32 N 1.39 4.44 0.40 5.49 2.01 0.13 -4.93 115.64 124.57 1jfu s THR 32 Ca 0.67 -0.32 -0.25 0.00 0.31 0.00 0.00 61.69 62.09 1jfu s THR 32 Cb -0.38 -3.18 -0.08 0.00 0.01 0.00 0.00 72.50 68.86 1jfu s THR 32 CO 0.30 0.19 1.16 -0.04 -0.69 0.00 0.00 174.62 175.54 1jfu s MET 33 N 1.61 4.06 0.37 4.92 1.00 -1.26 -1.77 119.30 128.21 1jfu s MET 33 Ca 0.05 1.80 -0.28 0.00 0.00 0.00 0.00 55.69 57.27 1jfu s MET 33 Cb -0.16 -2.66 -0.10 0.00 0.00 0.00 0.00 34.83 31.91 1jfu s MET 33 CO 0.05 -0.31 1.37 0.00 0.00 0.00 0.00 175.02 176.13 1jfu s ALA 34 N -1.44 3.46 -0.00 3.03 0.00 0.09 -4.90 121.76 122.00 1jfu s ALA 34 Ca 0.57 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1jfu s ALA 34 Cb -0.30 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.29 1jfu s ALA 34 CO 0.37 -0.84 0.04 -1.13 0.00 0.00 0.00 175.76 174.20 1jfu n SER 35 N 0.50 0.08 -4.22 0.00 3.41 -1.26 -4.73 113.62 107.41 1jfu n SER 35 Ca 0.01 -0.54 -0.22 0.00 -0.26 0.00 0.00 58.87 57.86 1jfu n SER 35 Cb 0.41 0.92 -0.13 0.00 -0.26 0.00 0.00 64.21 65.16 1jfu n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jfu s ALA 36 N -0.93 1.50 0.16 7.33 0.00 -1.26 -5.07 121.76 123.50 1jfu s ALA 36 Ca 0.00 -1.04 -0.31 0.00 0.00 0.00 0.00 51.96 50.62 1jfu s ALA 36 Cb 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 23.12 22.81 1jfu s ALA 36 CO 0.00 0.29 1.37 -2.14 0.00 0.00 0.00 175.76 175.28 1jfu s PRO 37 N -1.48 4.34 -0.16 0.00 0.02 -1.26 -4.90 135.00 131.56 1jfu s PRO 37 Ca 0.04 2.09 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 1jfu s PRO 37 Cb -0.09 -3.21 0.08 0.00 0.02 0.00 0.00 34.50 31.29 1jfu s PRO 37 CO 0.02 -0.37 0.23 -1.17 -0.33 0.00 0.00 177.00 175.39 1jfu s LEU 38 N 0.53 -0.20 -0.26 -5.54 2.96 -1.26 -4.03 118.68 110.88 1jfu s LEU 38 Ca 0.61 0.15 -0.24 0.00 -0.22 0.00 0.00 54.13 54.43 1jfu s LEU 38 Cb -0.37 0.51 -0.00 0.00 0.50 0.00 0.00 46.19 46.82 1jfu s LEU 38 CO 0.34 -0.29 0.81 -0.75 -1.32 0.00 0.00 176.35 175.15 1jfu s LYS 39 N 2.36 4.13 0.56 1.98 2.20 -1.26 -0.72 119.74 129.00 1jfu s LYS 39 Ca 0.05 0.85 -0.20 0.00 -0.36 0.00 0.00 55.97 56.31 1jfu s LYS 39 Cb -0.14 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 1jfu s LYS 39 CO -0.10 -0.55 1.23 -0.51 -0.36 0.00 0.00 175.35 175.05 1jfu s LEU 40 N 2.86 3.76 0.53 5.43 2.01 -0.83 -4.96 118.68 127.48 1jfu s LEU 40 Ca 0.34 2.44 -0.21 0.00 0.01 0.00 0.00 54.13 56.72 1jfu s LEU 40 Cb -0.15 -4.48 -0.07 0.00 0.01 0.00 0.00 46.19 41.50 1jfu s LEU 40 CO 0.09 -1.48 0.97 -2.65 1.01 0.00 0.00 176.35 174.29 1jfu n PRO 41 N -1.31 1.09 -2.41 1.29 -0.02 -1.26 -4.83 135.00 127.55 1jfu n PRO 41 Ca 0.12 0.41 -0.43 0.00 -2.02 0.00 0.00 63.50 61.58 1jfu n PRO 41 Cb 0.48 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1jfu n PRO 41 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1jfu n ASP 42 N -0.23 4.73 -4.61 2.55 -0.08 -1.26 -4.89 116.55 112.75 1jfu n ASP 42 Ca 0.12 -2.91 -0.49 0.00 -1.51 0.00 0.00 54.79 49.99 1jfu n ASP 42 Cb 0.44 -1.70 -0.04 0.00 2.34 0.00 0.00 41.12 42.16 1jfu n ASP 42 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1jfu n LEU 43 N 7.46 2.08 -4.48 -2.67 4.77 -1.26 -4.53 117.00 118.37 1jfu n LEU 43 Ca 0.48 1.12 -0.35 0.00 -0.03 0.00 0.00 56.01 57.24 1jfu n LEU 43 Cb 0.44 -1.28 -0.12 0.00 -2.33 0.00 0.00 43.42 40.13 1jfu n LEU 43 CO 0.79 -0.92 -0.33 0.00 -1.33 0.00 0.00 177.39 175.60 1jfu s ALA 44 N 0.23 3.05 0.11 -1.18 0.00 -1.26 -1.02 121.76 121.69 1jfu s ALA 44 Ca 0.77 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 1jfu s ALA 44 Cb -0.83 -1.72 0.01 0.00 0.00 0.00 0.00 23.12 20.58 1jfu s ALA 44 CO 0.48 -0.02 0.17 1.97 0.00 0.00 0.00 175.76 178.35 1jfu n PHE 45 N 3.99 -0.89 -4.41 0.00 -1.74 -0.81 -4.66 117.46 108.95 1jfu n PHE 45 Ca -0.17 -0.69 -0.25 0.00 -0.56 0.00 0.00 57.45 55.78 1jfu n PHE 45 Cb 0.52 0.19 -0.11 0.00 1.52 0.00 0.00 39.48 41.60 1jfu n PHE 45 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1jfu s GLU 46 N -2.20 1.48 0.20 3.97 8.01 0.58 0.22 118.70 130.97 1jfu s GLU 46 Ca 0.08 -1.54 0.01 0.00 0.01 0.00 0.00 54.97 53.53 1jfu s GLU 46 Cb -0.01 -1.70 0.04 0.00 -4.31 0.00 0.00 34.13 28.15 1jfu s GLU 46 CO 0.06 0.35 0.28 -0.40 0.01 0.00 0.00 175.26 175.56 1jfu n ASP 47 N 0.12 0.48 0.15 -0.19 5.68 -0.09 -0.65 116.55 122.04 1jfu n ASP 47 Ca -0.11 -1.38 0.08 0.00 -0.50 0.00 0.00 54.79 52.88 1jfu n ASP 47 Cb 0.57 -0.17 0.58 0.00 -1.14 0.00 0.00 41.12 40.96 1jfu n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jfu h ALA 48 N -0.20 1.96 -0.02 2.12 0.00 -1.88 -1.38 119.26 119.85 1jfu h ALA 48 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jfu h ALA 48 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1jfu h ALA 48 CO 0.11 0.02 -0.04 -0.25 0.00 0.00 0.00 179.25 179.09 1jfu n ASP 49 N -4.51 1.91 0.00 0.00 8.00 -1.26 -4.94 116.55 115.75 1jfu n ASP 49 Ca 0.00 -1.60 0.00 0.00 0.71 0.00 0.00 54.79 53.91 1jfu n ASP 49 Cb 0.14 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1jfu n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jfu n GLY 50 N 1.25 0.82 3.80 0.44 0.00 -0.52 -5.08 105.19 105.89 1jfu n GLY 50 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1jfu n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfu s LYS 51 N -0.66 4.43 0.16 1.61 1.02 -1.26 -4.72 119.74 120.33 1jfu s LYS 51 Ca 0.00 1.09 -0.31 0.00 0.02 0.00 0.00 55.97 56.77 1jfu s LYS 51 Cb 0.00 -2.92 -0.09 0.00 -0.52 0.00 0.00 37.83 34.30 1jfu s LYS 51 CO 0.00 0.39 1.44 -2.14 -0.92 0.00 0.00 175.35 174.11 1jfu s PRO 52 N -1.85 4.29 0.17 -1.68 0.02 -1.26 -0.91 135.00 133.78 1jfu s PRO 52 Ca 0.44 2.19 0.08 0.00 0.02 0.00 0.00 61.00 63.73 1jfu s PRO 52 Cb -0.19 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.10 1jfu s PRO 52 CO 0.23 -0.46 -0.16 0.15 -0.33 0.00 0.00 177.00 176.43 1jfu s LYS 53 N 0.67 1.26 0.08 5.54 -0.14 0.13 -4.90 119.74 122.39 1jfu s LYS 53 Ca 0.64 -1.45 0.04 0.00 -1.36 0.00 0.00 55.97 53.84 1jfu s LYS 53 Cb -0.40 -1.21 -0.03 0.00 -1.68 0.00 0.00 37.83 34.52 1jfu s LYS 53 CO 0.34 0.23 -0.12 0.15 -0.76 0.00 0.00 175.35 175.19 1jfu s LYS 54 N -3.07 0.81 0.39 1.68 1.02 -1.26 -1.92 119.74 117.39 1jfu s LYS 54 Ca 0.17 -1.03 0.10 0.00 0.02 0.00 0.00 55.97 55.24 1jfu s LYS 54 Cb -0.04 -0.66 0.89 0.00 -0.52 0.00 0.00 37.83 37.50 1jfu s LYS 54 CO 0.06 0.13 1.94 1.25 -0.92 0.00 0.00 175.35 177.81 1jfu h LEU 55 N 3.98 0.53 -0.44 3.17 5.85 -1.31 -0.74 115.31 126.35 1jfu h LEU 55 Ca -0.39 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1jfu h LEU 55 Cb 1.19 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1jfu h LEU 55 CO 0.46 0.31 0.00 -1.54 -0.34 0.00 0.00 178.44 177.33 1jfu n SER 56 N -4.49 0.32 0.04 1.25 3.41 -1.26 -1.26 113.62 111.63 1jfu n SER 56 Ca 0.12 0.59 0.09 0.00 -0.26 0.00 0.00 58.87 59.42 1jfu n SER 56 Cb 0.37 -0.66 0.38 0.00 -0.26 0.00 0.00 64.21 64.04 1jfu n SER 56 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jfu n ASP 57 N -1.87 0.21 -0.72 4.04 8.00 -0.28 -2.78 116.55 123.14 1jfu n ASP 57 Ca 0.02 0.55 0.07 0.00 0.71 0.00 0.00 54.79 56.14 1jfu n ASP 57 Cb 0.15 -0.59 0.14 0.00 -0.02 0.00 0.00 41.12 40.80 1jfu n ASP 57 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1jfu n PHE 58 N -1.73 0.32 -1.67 1.24 3.01 -0.38 -5.00 117.46 113.26 1jfu n PHE 58 Ca 0.03 -0.26 -0.39 0.00 1.01 0.00 0.00 57.45 57.84 1jfu n PHE 58 Cb 0.20 -0.01 0.04 0.00 -0.01 0.00 0.00 39.48 39.69 1jfu n PHE 58 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1jfu n ARG 59 N 0.84 1.35 0.00 -1.08 1.74 -1.12 -2.63 116.66 115.76 1jfu n ARG 59 Ca 0.12 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 1jfu n ARG 59 Cb 0.43 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.57 1jfu n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jfu n GLY 60 N 1.04 1.35 3.32 -0.13 0.00 0.40 -5.04 105.19 106.14 1jfu n GLY 60 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1jfu n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfu s LYS 61 N -0.90 1.25 0.30 1.61 1.02 -1.08 -4.85 119.74 117.09 1jfu s LYS 61 Ca 0.00 -1.42 -0.25 0.00 0.02 0.00 0.00 55.97 54.32 1jfu s LYS 61 Cb 0.00 -1.23 -0.09 0.00 -0.52 0.00 0.00 37.83 35.98 1jfu s LYS 61 CO 0.00 0.24 0.89 0.99 -0.92 0.00 0.00 175.35 176.55 1jfu s THR 62 N -2.24 4.30 0.06 2.17 2.01 -0.41 -3.17 115.64 118.35 1jfu s THR 62 Ca 0.16 1.70 0.03 0.00 0.31 0.00 0.00 61.69 63.89 1jfu s THR 62 Cb -0.05 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1jfu s THR 62 CO 0.06 0.16 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.29 1jfu s LEU 63 N -2.03 2.30 -0.35 4.42 1.43 -0.22 -2.33 118.68 121.90 1jfu s LEU 63 Ca 0.48 -0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1jfu s LEU 63 Cb -0.18 -0.30 0.05 0.00 0.03 0.00 0.00 46.19 45.79 1jfu s LEU 63 CO 0.23 -0.18 0.13 -0.22 0.23 0.00 0.00 176.35 176.54 1jfu s LEU 64 N -1.82 4.47 -0.24 1.79 2.96 -0.74 -0.63 118.68 124.48 1jfu s LEU 64 Ca -0.04 -1.25 -0.16 0.00 -0.22 0.00 0.00 54.13 52.45 1jfu s LEU 64 Cb -0.08 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1jfu s LEU 64 CO 0.01 -0.37 0.42 -0.69 -1.32 0.00 0.00 176.35 174.40 1jfu s VAL 65 N 1.38 5.16 -0.01 1.68 1.01 0.37 -0.30 120.40 129.69 1jfu s VAL 65 Ca -0.01 0.69 0.08 0.00 0.00 0.00 0.00 61.98 62.75 1jfu s VAL 65 Cb -0.20 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1jfu s VAL 65 CO 0.02 0.17 -0.25 0.21 0.00 0.00 0.00 175.10 175.25 1jfu s ASN 66 N 1.40 3.11 -0.16 3.32 3.84 -0.33 0.10 114.94 126.22 1jfu s ASN 66 Ca 0.18 -0.47 -0.02 0.00 0.21 0.00 0.00 52.86 52.75 1jfu s ASN 66 Cb -0.15 -0.36 -0.02 0.00 -0.55 0.00 0.00 41.25 40.17 1jfu s ASN 66 CO 0.09 0.31 -0.08 -0.76 -2.79 0.00 0.00 177.10 173.88 1jfu s LEU 67 N -0.70 2.93 0.07 3.21 1.43 -0.36 -0.09 118.68 125.16 1jfu s LEU 67 Ca 0.10 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1jfu s LEU 67 Cb -0.10 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1jfu s LEU 67 CO -0.01 0.11 -0.01 -1.66 0.23 0.00 0.00 176.35 175.02 1jfu s TRP 68 N 0.68 0.57 0.03 0.29 1.48 -0.86 -3.41 118.94 117.73 1jfu s TRP 68 Ca -0.04 -1.09 -0.14 0.00 -1.06 0.00 0.00 56.10 53.78 1jfu s TRP 68 Cb -0.15 -0.40 0.02 0.00 -1.16 0.00 0.00 33.47 31.78 1jfu s TRP 68 CO 0.02 -0.41 0.29 0.00 -4.06 0.00 0.00 176.95 172.80 1jfu s ALA 69 N -3.94 -0.67 0.15 2.67 0.00 -1.26 -0.90 121.76 117.80 1jfu s ALA 69 Ca 0.10 0.04 0.31 0.00 0.00 0.00 0.00 51.96 52.41 1jfu s ALA 69 Cb 0.08 0.27 1.28 0.00 0.00 0.00 0.00 23.12 24.75 1jfu s ALA 69 CO -0.08 -0.38 1.96 1.79 0.00 0.00 0.00 175.76 179.05 1jfu h THR 70 N 3.36 0.20 0.00 0.00 1.35 -1.96 -2.50 112.91 113.35 1jfu h THR 70 Ca -0.31 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1jfu h THR 70 Cb 1.19 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1jfu h THR 70 CO 0.45 0.07 0.00 -2.67 -0.25 0.00 0.00 175.52 173.12 1jfu n TRP 71 N -3.21 0.33 -3.29 4.73 4.27 -1.26 -4.71 117.44 114.30 1jfu n TRP 71 Ca 0.00 0.10 -0.43 0.00 -3.89 0.00 0.00 57.50 53.28 1jfu n TRP 71 Cb 0.33 -0.66 -0.08 0.00 -1.36 0.00 0.00 31.31 29.53 1jfu n TRP 71 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1jfu h VAL 73 N 5.76 0.90 -0.37 0.00 2.07 -1.85 -1.81 116.25 120.95 1jfu h VAL 73 Ca -0.27 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.05 1jfu h VAL 73 Cb 1.11 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1jfu h VAL 73 CO 0.83 0.06 0.26 -0.65 0.02 0.00 0.00 177.57 178.09 1jfu h PRO 74 N -0.34 0.23 0.36 1.57 0.11 -1.94 -2.12 132.00 129.87 1jfu h PRO 74 Ca -0.02 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1jfu h PRO 74 Cb 0.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1jfu h PRO 74 CO 0.04 0.15 -0.17 0.00 -0.21 0.00 0.00 178.00 177.81 1jfu h ARG 76 N -0.74 0.76 0.00 0.00 3.08 -1.02 -1.27 114.38 115.19 1jfu h ARG 76 Ca -0.05 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 1jfu h ARG 76 Cb 0.50 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1jfu h ARG 76 CO 0.08 0.51 -0.42 0.87 -1.07 0.00 0.00 179.97 179.93 1jfu h LYS 77 N 0.79 0.00 -0.01 0.04 1.57 -1.21 -3.01 116.57 114.74 1jfu h LYS 77 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1jfu h LYS 77 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1jfu h LYS 77 CO -0.33 0.42 -0.42 -0.85 -0.57 0.00 0.00 179.45 177.70 1jfu n GLU 78 N -3.62 0.73 -0.33 3.15 0.28 -0.53 -4.31 120.64 116.00 1jfu n GLU 78 Ca -0.01 -0.50 0.00 0.00 -0.16 0.00 0.00 57.16 56.50 1jfu n GLU 78 Cb 0.52 -1.49 0.17 0.00 1.43 0.00 0.00 31.44 32.07 1jfu n GLU 78 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1jfu h MET 79 N 1.21 1.18 -0.96 3.44 0.00 -1.27 -1.84 114.93 116.69 1jfu h MET 79 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 59.70 59.70 1jfu h MET 79 Cb 0.57 -0.27 -0.07 0.00 0.00 0.00 0.00 31.60 31.83 1jfu h MET 79 CO 0.00 0.78 0.61 -1.35 0.00 0.00 0.00 176.91 176.94 1jfu h PRO 80 N 1.21 1.04 -0.12 -0.22 0.11 -1.79 -0.71 132.00 131.52 1jfu h PRO 80 Ca 0.36 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.42 1jfu h PRO 80 Cb -0.06 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 30.80 1jfu h PRO 80 CO -0.10 0.69 -0.01 0.00 -0.21 0.00 0.00 178.00 178.38 1jfu h ALA 81 N 1.45 0.10 -0.80 -0.75 0.00 -1.62 -0.35 119.26 117.30 1jfu h ALA 81 Ca 0.43 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.41 1jfu h ALA 81 Cb 0.23 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1jfu h ALA 81 CO -0.19 -0.46 0.51 -0.07 0.00 0.00 0.00 179.25 179.04 1jfu h LEU 82 N 0.03 0.84 -1.12 0.00 3.38 -0.94 -0.96 115.31 116.54 1jfu h LEU 82 Ca 0.06 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1jfu h LEU 82 Cb 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1jfu h LEU 82 CO -0.10 0.58 0.06 -0.78 0.09 0.00 0.00 178.44 178.29 1jfu h ASP 83 N 0.99 0.64 -0.04 -0.43 3.58 -0.70 -0.95 116.42 119.52 1jfu h ASP 83 Ca 0.32 -0.12 -0.20 0.00 0.42 0.00 0.00 57.03 57.46 1jfu h ASP 83 Cb 0.02 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.91 1jfu h ASP 83 CO -0.12 0.66 -0.69 -0.33 -2.88 0.00 0.00 179.24 175.89 1jfu h GLU 84 N 0.65 0.67 -0.49 0.28 5.08 -0.45 -2.00 114.58 118.32 1jfu h GLU 84 Ca 0.14 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1jfu h GLU 84 Cb 0.31 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1jfu h GLU 84 CO 0.00 1.12 0.21 1.25 -1.00 0.00 0.00 179.01 180.60 1jfu h LEU 85 N 0.48 0.66 -0.22 1.33 5.85 -0.93 -1.14 115.31 121.33 1jfu h LEU 85 Ca -0.03 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.59 1jfu h LEU 85 Cb 1.29 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 1jfu h LEU 85 CO 0.14 0.63 -0.09 -0.61 -0.34 0.00 0.00 178.44 178.16 1jfu h GLN 86 N 0.65 -0.06 -1.00 1.25 5.75 -1.13 -0.41 115.11 120.16 1jfu h GLN 86 Ca 0.17 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.74 1jfu h GLN 86 Cb 0.16 0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.65 1jfu h GLN 86 CO -0.02 -0.04 0.64 0.78 -2.65 0.00 0.00 178.83 177.55 1jfu h GLY 87 N -0.06 1.54 1.03 2.39 0.00 -0.83 0.12 103.07 107.26 1jfu h GLY 87 Ca 0.12 -0.47 -0.22 0.00 0.00 0.00 0.00 47.33 46.76 1jfu h GLY 87 CO -0.26 0.31 -0.87 0.50 0.00 0.00 0.00 176.54 176.22 1jfu h LYS 88 N 1.15 0.58 -0.00 4.80 1.79 -0.80 -3.40 116.57 120.68 1jfu h LYS 88 Ca 0.44 -0.63 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1jfu h LYS 88 Cb 0.21 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1jfu h LYS 88 CO -0.19 1.24 -0.26 1.28 -1.08 0.00 0.00 179.45 180.44 1jfu n LEU 89 N -4.00 0.33 -4.77 2.94 4.77 -0.20 -5.03 117.00 111.03 1jfu n LEU 89 Ca -0.11 -0.52 -0.41 0.00 -0.03 0.00 0.00 56.01 54.94 1jfu n LEU 89 Cb 0.80 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.88 1jfu n LEU 89 CO 0.52 0.08 1.13 -0.55 -1.33 0.00 0.00 177.39 177.24 1jfu s SER 90 N -1.50 6.44 0.00 -1.43 0.15 0.02 -4.45 113.70 112.93 1jfu s SER 90 Ca 0.02 2.94 0.00 0.00 0.70 0.00 0.00 55.95 59.62 1jfu s SER 90 Cb 0.04 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1jfu s SER 90 CO 0.23 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.46 1jfu n GLY 91 N 0.99 -0.75 0.33 9.45 0.00 -0.18 -4.93 105.19 110.08 1jfu n GLY 91 Ca 0.03 -0.89 0.22 0.00 0.00 0.00 0.00 46.02 45.38 1jfu n GLY 91 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jfu h PRO 92 N 0.00 0.00 -0.00 1.61 0.11 -2.00 -2.88 132.00 128.83 1jfu h PRO 92 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1jfu h PRO 92 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1jfu h PRO 92 CO 0.00 0.00 -0.28 0.09 -0.21 0.00 0.00 178.00 177.60 1jfu n ASN 93 N -3.05 0.95 -3.69 -2.05 5.03 -1.26 -4.70 115.26 106.50 1jfu n ASN 93 Ca -0.03 -0.98 -0.14 0.00 0.87 0.00 0.00 54.58 54.30 1jfu n ASN 93 Cb 0.08 0.64 -0.08 0.00 -1.02 0.00 0.00 39.78 39.40 1jfu n ASN 93 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1jfu s PHE 94 N -1.53 -0.48 -0.05 3.10 5.36 -1.09 -1.29 117.98 122.01 1jfu s PHE 94 Ca 0.07 1.04 -0.16 0.00 -0.96 0.00 0.00 56.93 56.93 1jfu s PHE 94 Cb 0.08 0.20 0.03 0.00 -0.34 0.00 0.00 43.02 42.99 1jfu s PHE 94 CO 0.29 -0.35 0.35 -1.21 -1.46 0.00 0.00 175.22 172.84 1jfu s GLU 95 N -0.37 0.64 -0.18 10.12 2.02 -0.98 -1.02 118.70 128.94 1jfu s GLU 95 Ca -0.05 0.00 -0.17 0.00 0.02 0.00 0.00 54.97 54.77 1jfu s GLU 95 Cb -0.03 0.29 -0.04 0.00 0.10 0.00 0.00 34.13 34.45 1jfu s GLU 95 CO 0.03 -0.16 0.42 0.08 0.02 0.00 0.00 175.26 175.65 1jfu s VAL 96 N -0.97 5.19 -0.56 2.63 1.01 -1.26 -1.78 120.40 124.67 1jfu s VAL 96 Ca -0.10 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1jfu s VAL 96 Cb -0.04 -3.76 0.14 0.00 0.00 0.00 0.00 36.38 32.72 1jfu s VAL 96 CO 0.04 0.27 0.33 -0.69 0.00 0.00 0.00 175.10 175.06 1jfu s VAL 97 N 1.10 3.16 -0.31 2.92 1.01 0.59 -4.94 120.40 123.94 1jfu s VAL 97 Ca 0.21 -3.03 -0.18 0.00 0.00 0.00 0.00 61.98 58.99 1jfu s VAL 97 Cb -0.15 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1jfu s VAL 97 CO 0.08 -0.82 0.50 0.00 0.00 0.00 0.00 175.10 174.86 1jfu s ALA 98 N -0.04 3.53 -0.32 5.51 0.00 -1.26 -1.19 121.76 127.98 1jfu s ALA 98 Ca 0.16 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.20 1jfu s ALA 98 Cb -0.23 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1jfu s ALA 98 CO -0.02 -0.97 0.14 0.42 0.00 0.00 0.00 175.76 175.32 1jfu s ILE 99 N 2.33 4.36 0.23 0.00 1.01 0.87 -3.91 121.20 126.09 1jfu s ILE 99 Ca 0.19 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 1jfu s ILE 99 Cb -0.16 -3.29 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 1jfu s ILE 99 CO 0.11 -0.01 1.18 0.21 0.00 0.00 0.00 174.94 176.43 1jfu s ASN 100 N 1.55 7.11 -0.15 3.58 3.84 -0.58 -2.02 114.94 128.27 1jfu s ASN 100 Ca 0.03 2.29 0.14 0.00 0.21 0.00 0.00 52.86 55.53 1jfu s ASN 100 Cb -0.18 -2.62 0.37 0.00 -0.55 0.00 0.00 41.25 38.27 1jfu s ASN 100 CO 0.05 -0.31 1.19 2.30 -2.79 0.00 0.00 177.10 177.53 1jfu n ILE 101 N 1.92 1.76 -1.82 -5.21 -5.35 -0.08 -0.46 119.36 110.13 1jfu n ILE 101 Ca 0.02 -2.58 -0.42 0.00 -0.27 0.00 0.00 62.75 59.51 1jfu n ILE 101 Cb 0.44 -0.06 -0.02 0.00 -1.74 0.00 0.00 39.64 38.26 1jfu n ILE 101 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1jfu s ASP 102 N -2.89 6.43 -0.01 7.28 1.11 -1.26 -4.53 116.67 122.80 1jfu s ASP 102 Ca 0.34 2.86 0.13 0.00 0.18 0.00 0.00 52.55 56.06 1jfu s ASP 102 Cb 0.33 -2.62 -0.17 0.00 1.07 0.00 0.00 42.92 41.53 1jfu s ASP 102 CO -0.05 -0.89 0.43 0.35 1.18 0.00 0.00 175.17 176.18 1jfu n THR 103 N 2.78 0.00 -4.38 -1.27 -2.24 -1.26 -4.38 114.28 103.52 1jfu n THR 103 Ca 0.10 -0.25 -0.26 0.00 -2.27 0.00 0.00 64.05 61.38 1jfu n THR 103 Cb 0.37 0.62 -0.13 0.00 -2.10 0.00 0.00 70.33 69.10 1jfu n THR 103 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1jfu s ARG 104 N -2.54 1.25 -0.52 -0.78 0.52 -1.26 -4.90 118.95 110.72 1jfu s ARG 104 Ca 0.00 -1.18 -0.10 0.00 -0.52 0.00 0.00 55.73 53.94 1jfu s ARG 104 Cb 0.09 -1.55 0.01 0.00 0.52 0.00 0.00 34.95 34.02 1jfu s ARG 104 CO 0.54 0.37 0.61 -0.25 0.02 0.00 0.00 175.30 176.59 1jfu n ASP 105 N 1.17 -7.66 0.07 0.23 8.00 -1.26 -4.89 116.55 112.22 1jfu n ASP 105 Ca -0.19 0.30 0.10 0.00 0.71 0.00 0.00 54.79 55.71 1jfu n ASP 105 Cb 0.53 -5.19 0.41 0.00 -0.02 0.00 0.00 41.12 36.86 1jfu n ASP 105 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1jfu n PRO 106 N -0.83 0.11 0.06 -0.24 -0.04 -1.26 -2.66 135.00 130.14 1jfu n PRO 106 Ca 0.07 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1jfu n PRO 106 Cb 0.46 -1.71 0.01 0.00 -0.04 0.00 0.00 33.50 32.22 1jfu n PRO 106 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1jfu n GLU 107 N -1.92 0.48 -0.22 0.54 4.07 -1.26 -4.36 120.64 117.97 1jfu n GLU 107 Ca 0.03 0.04 -0.02 0.00 -0.06 0.00 0.00 57.16 57.15 1jfu n GLU 107 Cb 0.21 -1.70 0.09 0.00 -0.06 0.00 0.00 31.44 29.98 1jfu n GLU 107 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1jfu h LYS 108 N 0.00 0.58 -0.42 5.31 3.64 -1.86 -1.18 116.57 122.65 1jfu h LYS 108 Ca 0.00 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1jfu h LYS 108 Cb 0.89 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1jfu h LYS 108 CO 0.00 0.39 -0.11 -1.35 -2.27 0.00 0.00 179.45 176.11 1jfu h PRO 109 N 0.60 0.76 -0.61 1.90 0.11 -1.77 -0.34 132.00 132.65 1jfu h PRO 109 Ca 0.29 -0.25 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 1jfu h PRO 109 Cb 0.22 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.24 1jfu h PRO 109 CO -0.20 0.84 0.20 0.87 -0.21 0.00 0.00 178.00 179.50 1jfu h LYS 110 N 0.69 0.94 -0.55 1.05 1.57 -1.69 -0.38 116.57 118.20 1jfu h LYS 110 Ca 0.12 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1jfu h LYS 110 Cb 0.58 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1jfu h LYS 110 CO 0.04 0.83 0.18 1.15 -0.57 0.00 0.00 179.45 181.07 1jfu h THR 111 N 0.86 1.24 -0.12 -0.16 2.02 -0.97 -1.20 112.91 114.58 1jfu h THR 111 Ca 0.20 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1jfu h THR 111 Cb 0.27 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1jfu h THR 111 CO -0.01 0.30 0.08 0.15 0.37 0.00 0.00 175.52 176.41 1jfu h PHE 112 N 0.76 0.15 -0.63 3.16 3.57 -0.71 -0.97 116.94 122.28 1jfu h PHE 112 Ca 0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1jfu h PHE 112 Cb 0.27 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1jfu h PHE 112 CO 0.02 0.09 0.35 -0.07 -2.23 0.00 0.00 178.31 176.47 1jfu h LEU 113 N 0.16 0.77 -0.21 0.59 3.38 -0.95 -2.12 115.31 116.92 1jfu h LEU 113 Ca 0.04 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1jfu h LEU 113 Cb -0.02 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1jfu h LEU 113 CO -0.01 0.61 -0.26 0.11 0.09 0.00 0.00 178.44 178.98 1jfu h LYS 114 N 0.87 0.55 -0.07 1.13 1.57 -0.80 -0.40 116.57 119.43 1jfu h LYS 114 Ca 0.22 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1jfu h LYS 114 Cb 0.01 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1jfu h LYS 114 CO -0.04 0.90 -0.18 0.93 -0.57 0.00 0.00 179.45 180.50 1jfu h GLU 115 N 0.23 0.11 -0.01 3.15 5.08 -1.05 -1.40 114.58 120.69 1jfu h GLU 115 Ca 0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jfu h GLU 115 Cb 0.83 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1jfu h GLU 115 CO 0.06 0.29 -0.05 0.00 -1.00 0.00 0.00 179.01 178.31 1jfu n ALA 116 N -2.49 2.68 -3.71 3.43 0.00 -0.81 -4.94 120.51 114.66 1jfu n ALA 116 Ca -0.02 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 52.81 1jfu n ALA 116 Cb 0.27 -1.23 0.04 0.00 0.00 0.00 0.00 19.45 18.53 1jfu n ALA 116 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jfu n ASN 117 N -0.21 -1.97 -4.22 0.00 5.15 -0.53 -4.96 115.26 108.52 1jfu n ASN 117 Ca 0.18 -0.79 -0.38 0.00 -0.60 0.00 0.00 54.58 53.00 1jfu n ASN 117 Cb 0.31 -4.16 -0.11 0.00 -0.53 0.00 0.00 39.78 35.29 1jfu n ASN 117 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jfu s LEU 118 N -6.76 4.80 -0.00 1.20 1.43 -0.25 -4.90 118.68 114.19 1jfu s LEU 118 Ca 0.12 -1.50 0.05 0.00 -1.03 0.00 0.00 54.13 51.78 1jfu s LEU 118 Cb -0.06 -1.89 -0.07 0.00 0.03 0.00 0.00 46.19 44.20 1jfu s LEU 118 CO 0.80 -0.45 0.17 0.35 0.23 0.00 0.00 176.35 177.45 1jfu n THR 119 N 4.78 0.00 0.23 5.49 -2.24 -1.26 -4.69 114.28 116.59 1jfu n THR 119 Ca -0.09 -0.23 0.11 0.00 -2.27 0.00 0.00 64.05 61.56 1jfu n THR 119 Cb 0.43 0.65 0.51 0.00 -2.10 0.00 0.00 70.33 69.81 1jfu n THR 119 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1jfu h ARG 120 N 0.00 0.00 0.00 -0.78 3.08 -1.90 -2.96 114.38 111.82 1jfu h ARG 120 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jfu h ARG 120 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1jfu h ARG 120 CO 0.00 0.20 0.00 1.28 -1.07 0.00 0.00 179.97 180.38 1jfu n LEU 121 N -3.41 0.66 0.00 3.04 4.77 -1.26 -4.94 117.00 115.86 1jfu n LEU 121 Ca -0.00 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1jfu n LEU 121 Cb 0.40 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1jfu n LEU 121 CO 0.33 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1jfu n GLY 122 N 1.33 0.76 2.46 -0.72 0.00 -1.12 -4.46 105.19 103.44 1jfu n GLY 122 Ca 0.06 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 1jfu n GLY 122 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jfu n TYR 123 N 6.64 -1.70 -2.25 1.61 9.36 -1.26 -4.96 117.16 124.61 1jfu n TYR 123 Ca 0.00 -2.76 -0.38 0.00 3.32 0.00 0.00 57.90 58.08 1jfu n TYR 123 Cb 0.00 0.58 -0.02 0.00 -0.63 0.00 0.00 39.34 39.28 1jfu n TYR 123 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1jfu s PHE 124 N -0.47 3.02 0.08 2.98 0.08 -1.25 -3.09 117.98 119.32 1jfu s PHE 124 Ca 0.33 1.53 -0.25 0.00 0.12 0.00 0.00 56.93 58.66 1jfu s PHE 124 Cb 0.23 -3.45 0.06 0.00 -0.57 0.00 0.00 43.02 39.30 1jfu s PHE 124 CO -0.15 -1.47 0.59 0.54 -0.10 0.00 0.00 175.22 174.63 1jfu s ASN 125 N -1.06 -0.55 -0.34 1.36 2.20 0.17 -1.52 114.94 115.20 1jfu s ASN 125 Ca 0.57 0.22 -0.01 0.00 -0.94 0.00 0.00 52.86 52.70 1jfu s ASN 125 Cb -0.32 0.55 0.13 0.00 -2.00 0.00 0.00 41.25 39.61 1jfu s ASN 125 CO 0.40 -0.81 0.18 -0.62 -2.94 0.00 0.00 177.10 173.31 1jfu s ASP 126 N -2.16 3.22 0.04 3.54 2.15 0.40 -0.31 116.67 123.55 1jfu s ASP 126 Ca -0.03 -1.92 0.09 0.00 0.43 0.00 0.00 52.55 51.11 1jfu s ASP 126 Cb -0.01 -0.44 0.39 0.00 -0.30 0.00 0.00 42.92 42.57 1jfu s ASP 126 CO -0.04 -0.35 1.27 0.00 -0.17 0.00 0.00 175.17 175.88 1jfu n GLN 127 N 4.41 0.02 0.07 4.34 1.13 -1.26 -1.09 117.38 125.00 1jfu n GLN 127 Ca 0.06 0.41 0.12 0.00 -1.94 0.00 0.00 57.00 55.65 1jfu n GLN 127 Cb 0.39 -1.56 0.07 0.00 0.11 0.00 0.00 30.24 29.24 1jfu n GLN 127 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1jfu n LYS 128 N -1.61 0.43 -1.58 -1.09 5.02 -1.26 -4.33 118.16 113.74 1jfu n LYS 128 Ca 0.01 0.09 -0.20 0.00 -2.02 0.00 0.00 58.31 56.19 1jfu n LYS 128 Cb 0.08 -1.73 -0.09 0.00 -0.02 0.00 0.00 35.03 33.27 1jfu n LYS 128 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jfu n ALA 129 N -1.99 -0.31 0.13 7.82 0.00 -0.25 -4.87 120.51 121.05 1jfu n ALA 129 Ca 0.02 0.32 0.02 0.00 0.00 0.00 0.00 53.44 53.80 1jfu n ALA 129 Cb 0.49 -2.01 0.38 0.00 0.00 0.00 0.00 19.45 18.31 1jfu n ALA 129 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1jfu h LYS 130 N 0.00 0.20 -0.59 0.00 3.64 -1.93 -1.97 116.57 115.93 1jfu h LYS 130 Ca -0.41 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 58.99 1jfu h LYS 130 Cb 1.32 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.08 1jfu h LYS 130 CO 0.60 0.38 0.39 -0.39 -2.27 0.00 0.00 179.45 178.16 1jfu h VAL 131 N 0.19 0.95 -0.50 2.00 -1.51 -1.89 0.13 116.25 115.62 1jfu h VAL 131 Ca 0.04 -0.17 -0.09 0.00 -1.23 0.00 0.00 66.70 65.24 1jfu h VAL 131 Cb 0.42 0.42 -0.02 0.00 -2.13 0.00 0.00 31.29 29.98 1jfu h VAL 131 CO 0.03 0.09 -0.06 0.15 -1.23 0.00 0.00 177.57 176.55 1jfu h PHE 132 N 0.49 1.02 -0.65 5.19 3.57 -1.75 -2.44 116.94 122.37 1jfu h PHE 132 Ca 0.26 -0.20 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 1jfu h PHE 132 Cb 0.39 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1jfu h PHE 132 CO -0.00 0.97 0.11 1.96 -2.23 0.00 0.00 178.31 179.11 1jfu h GLN 133 N 0.78 1.06 -0.58 1.11 1.08 -0.93 0.10 115.11 117.74 1jfu h GLN 133 Ca 0.14 -0.28 0.09 0.00 -1.45 0.00 0.00 58.65 57.15 1jfu h GLN 133 Cb 0.60 -0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 27.83 1jfu h GLN 133 CO 0.04 0.97 0.20 -0.44 -0.95 0.00 0.00 178.83 178.65 1jfu h ASP 134 N 1.00 0.19 0.50 1.46 3.32 -0.66 0.26 116.42 122.49 1jfu h ASP 134 Ca 0.20 0.08 -0.20 0.00 0.02 0.00 0.00 57.03 57.12 1jfu h ASP 134 Cb 0.43 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1jfu h ASP 134 CO 0.01 0.12 -0.88 -0.07 -1.72 0.00 0.00 179.24 176.70 1jfu h LEU 135 N 0.38 0.34 0.11 1.55 3.38 -1.23 -3.22 115.31 116.61 1jfu h LEU 135 Ca 0.29 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jfu h LEU 135 Cb 0.35 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1jfu h LEU 135 CO -0.30 1.06 -0.06 0.50 0.09 0.00 0.00 178.44 179.74 1jfu h LYS 136 N 0.15 -0.15 -1.26 1.13 3.64 0.07 -1.33 116.57 118.82 1jfu h LYS 136 Ca -0.05 0.01 0.36 0.00 -1.27 0.00 0.00 60.65 59.70 1jfu h LYS 136 Cb 1.50 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 33.29 1jfu h LYS 136 CO 0.14 -0.10 0.88 0.00 -2.27 0.00 0.00 179.45 178.10 1jfu h ALA 137 N 0.74 2.99 -0.50 5.00 0.00 -0.53 -0.74 119.26 126.23 1jfu h ALA 137 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jfu h ALA 137 Cb 0.12 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1jfu h ALA 137 CO 0.02 -1.40 0.00 0.44 0.00 0.00 0.00 179.25 178.31 1jfu n ILE 138 N -4.29 1.66 -2.01 0.00 -5.35 -0.94 -4.95 119.36 103.48 1jfu n ILE 138 Ca 0.29 -1.27 -0.03 0.00 -0.27 0.00 0.00 62.75 61.46 1jfu n ILE 138 Cb 1.28 0.17 -0.00 0.00 -1.74 0.00 0.00 39.64 39.35 1jfu n ILE 138 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jfu n GLY 139 N 0.67 0.26 0.06 3.28 0.00 -0.28 -4.95 105.19 104.23 1jfu n GLY 139 Ca 0.21 -0.76 0.02 0.00 0.00 0.00 0.00 46.02 45.49 1jfu n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfu n ARG 140 N -1.39 1.76 -3.58 1.61 5.12 -0.54 -4.83 116.66 114.79 1jfu n ARG 140 Ca -0.04 -1.51 -0.28 0.00 -1.93 0.00 0.00 57.85 54.10 1jfu n ARG 140 Cb 0.51 -0.97 -0.11 0.00 -1.16 0.00 0.00 32.46 30.72 1jfu n ARG 140 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jfu s ALA 141 N -1.14 2.11 -1.28 7.54 0.00 -1.20 -4.83 121.76 122.95 1jfu s ALA 141 Ca 0.07 -2.78 0.23 0.00 0.00 0.00 0.00 51.96 49.48 1jfu s ALA 141 Cb 0.06 -1.79 0.14 0.00 0.00 0.00 0.00 23.12 21.53 1jfu s ALA 141 CO 0.01 -2.03 1.16 1.28 0.00 0.00 0.00 175.76 176.18 1jfu n LEU 142 N 2.84 1.05 0.00 0.00 4.77 -1.26 -4.66 117.00 119.73 1jfu n LEU 142 Ca 0.22 -0.38 -0.02 0.00 -0.03 0.00 0.00 56.01 55.80 1jfu n LEU 142 Cb 0.41 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1jfu n LEU 142 CO 0.16 0.23 0.65 0.61 -1.33 0.00 0.00 177.39 177.71 1jfu n GLY 143 N 1.47 0.73 2.90 -0.72 0.00 -1.26 -5.09 105.19 103.21 1jfu n GLY 143 Ca 0.06 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 1jfu n GLY 143 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jfu s MET 144 N -2.04 0.84 0.84 1.61 -1.94 -1.26 -3.72 119.30 113.63 1jfu s MET 144 Ca 0.18 -0.11 -0.12 0.00 -1.71 0.00 0.00 55.69 53.93 1jfu s MET 144 Cb -0.02 -0.84 0.09 0.00 2.01 0.00 0.00 34.83 36.07 1jfu s MET 144 CO 0.04 -0.07 1.10 -1.25 -0.01 0.00 0.00 175.02 174.83 1jfu s PRO 145 N 0.88 1.76 -0.05 2.03 0.04 -1.26 -4.80 135.00 133.60 1jfu s PRO 145 Ca -0.12 0.59 0.05 0.00 0.04 0.00 0.00 61.00 61.56 1jfu s PRO 145 Cb -0.14 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1jfu s PRO 145 CO 0.00 -1.84 -0.19 0.99 0.04 0.00 0.00 177.00 176.01 1jfu s THR 146 N -3.15 1.59 0.02 1.26 2.01 -1.22 -1.09 115.64 115.07 1jfu s THR 146 Ca 0.62 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.87 1jfu s THR 146 Cb -0.15 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1jfu s THR 146 CO 0.54 0.45 -0.15 -0.44 -0.69 0.00 0.00 174.62 174.33 1jfu s SER 147 N 0.02 1.83 -0.07 3.53 0.01 -0.76 -1.23 113.70 117.03 1jfu s SER 147 Ca -0.05 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.83 1jfu s SER 147 Cb -0.12 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 65.97 1jfu s SER 147 CO 0.03 0.11 -0.10 -0.69 0.41 0.00 0.00 173.24 172.99 1jfu s VAL 148 N -0.67 1.03 -0.21 3.43 1.01 0.12 -1.03 120.40 124.07 1jfu s VAL 148 Ca 0.04 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 1jfu s VAL 148 Cb -0.07 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1jfu s VAL 148 CO 0.01 0.34 0.67 -0.22 0.00 0.00 0.00 175.10 175.89 1jfu s LEU 149 N 0.83 4.12 -0.03 3.92 2.96 0.59 -0.48 118.68 130.60 1jfu s LEU 149 Ca -0.12 0.86 0.08 0.00 -0.22 0.00 0.00 54.13 54.73 1jfu s LEU 149 Cb -0.15 -2.94 -0.02 0.00 0.50 0.00 0.00 46.19 43.58 1jfu s LEU 149 CO 0.02 -0.33 -0.26 -0.69 -1.32 0.00 0.00 176.35 173.77 1jfu s VAL 150 N 2.14 2.05 0.83 1.68 1.01 0.20 -0.74 120.40 127.58 1jfu s VAL 150 Ca 0.30 -1.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 1jfu s VAL 150 Cb -0.16 -1.71 0.14 0.00 0.00 0.00 0.00 36.38 34.65 1jfu s VAL 150 CO 0.10 0.58 1.16 1.51 0.00 0.00 0.00 175.10 178.45 1jfu s ASP 151 N -0.52 3.96 0.00 3.32 -4.77 -0.02 -1.05 116.67 117.58 1jfu s ASP 151 Ca 0.07 0.24 0.11 0.00 -3.30 0.00 0.00 52.55 49.67 1jfu s ASP 151 Cb -0.11 -0.56 0.55 0.00 -1.09 0.00 0.00 42.92 41.72 1jfu s ASP 151 CO -0.00 -2.17 1.20 -2.65 0.70 0.00 0.00 175.17 172.25 1jfu n PRO 152 N -3.31 0.19 -0.28 2.11 -0.02 -1.19 -1.53 135.00 130.97 1jfu n PRO 152 Ca 0.13 0.15 0.08 0.00 -2.02 0.00 0.00 63.50 61.84 1jfu n PRO 152 Cb 0.60 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.81 1jfu n PRO 152 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1jfu n GLN 153 N -1.23 2.88 -1.26 -0.52 1.13 -1.26 -0.45 117.38 116.66 1jfu n GLN 153 Ca 0.06 -2.35 -0.01 0.00 -1.94 0.00 0.00 57.00 52.76 1jfu n GLN 153 Cb 0.07 -1.43 -0.00 0.00 0.11 0.00 0.00 30.24 28.99 1jfu n GLN 153 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jfu n GLY 154 N 0.92 0.41 3.78 1.08 0.00 -0.58 -4.99 105.19 105.81 1jfu n GLY 154 Ca 0.17 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 1jfu n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfu s GLU 156 N -2.09 4.25 -0.24 0.00 2.12 0.10 -0.84 118.70 122.01 1jfu s GLU 156 Ca 0.26 2.20 -0.05 0.00 0.36 0.00 0.00 54.97 57.74 1jfu s GLU 156 Cb -0.12 -3.39 -0.17 0.00 0.26 0.00 0.00 34.13 30.70 1jfu s GLU 156 CO 0.18 -0.59 -0.14 -0.89 -0.54 0.00 0.00 175.26 173.28 1jfu n ILE 157 N 4.32 1.55 -3.49 -3.70 5.41 0.08 -4.52 119.36 119.01 1jfu n ILE 157 Ca 0.14 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.30 1jfu n ILE 157 Cb 0.41 -1.63 -0.02 0.00 -0.71 0.00 0.00 39.64 37.69 1jfu n ILE 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jfu s ALA 158 N -2.51 -1.80 0.01 -1.39 0.00 -1.14 -0.73 121.76 114.21 1jfu s ALA 158 Ca -0.34 0.97 0.01 0.00 0.00 0.00 0.00 51.96 52.60 1jfu s ALA 158 Cb 0.10 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 1jfu s ALA 158 CO 0.60 -0.68 -0.04 0.99 0.00 0.00 0.00 175.76 176.63 1jfu s THR 159 N -3.12 0.23 -0.07 0.00 2.01 -0.73 -0.30 115.64 113.65 1jfu s THR 159 Ca 0.04 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.52 1jfu s THR 159 Cb -0.01 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.23 1jfu s THR 159 CO -0.09 -0.20 -0.14 -0.51 -0.69 0.00 0.00 174.62 172.98 1jfu s ILE 160 N -0.75 1.31 -1.10 1.82 2.07 -0.20 -0.69 121.20 123.65 1jfu s ILE 160 Ca -0.06 -0.57 -0.10 0.00 -1.41 0.00 0.00 60.65 58.50 1jfu s ILE 160 Cb -0.05 -1.18 0.26 0.00 0.13 0.00 0.00 42.46 41.62 1jfu s ILE 160 CO -0.00 0.39 1.13 0.00 -1.91 0.00 0.00 174.94 174.55 1jfu s ALA 161 N 0.65 4.62 0.00 1.50 0.00 -1.26 -1.83 121.76 125.43 1jfu s ALA 161 Ca -0.15 -3.76 0.00 0.00 0.00 0.00 0.00 51.96 48.06 1jfu s ALA 161 Cb -0.16 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1jfu s ALA 161 CO 0.04 -2.27 0.00 0.41 0.00 0.00 0.00 175.76 173.94 1jfu n GLY 162 N 2.95 1.26 3.91 0.00 0.00 -0.25 -4.86 105.19 108.19 1jfu n GLY 162 Ca 0.25 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 1jfu n GLY 162 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jfu s PRO 163 N -1.60 3.09 0.12 1.61 0.04 -1.26 -4.67 135.00 132.33 1jfu s PRO 163 Ca 0.00 0.11 -0.12 0.00 0.04 0.00 0.00 61.00 61.03 1jfu s PRO 163 Cb 0.00 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1jfu s PRO 163 CO 0.00 -0.60 0.30 0.00 0.04 0.00 0.00 177.00 176.74 1jfu s ALA 164 N -2.97 -0.52 -1.11 8.56 0.00 -1.26 -5.05 121.76 119.41 1jfu s ALA 164 Ca 0.53 -0.39 -0.19 0.00 0.00 0.00 0.00 51.96 51.90 1jfu s ALA 164 Cb -0.11 0.63 0.09 0.00 0.00 0.00 0.00 23.12 23.73 1jfu s ALA 164 CO 0.46 -0.59 1.47 -2.00 0.00 0.00 0.00 175.76 175.09 1jfu s GLU 165 N -3.85 3.78 0.01 0.00 2.56 -1.26 -4.81 118.70 115.12 1jfu s GLU 165 Ca 0.06 -1.71 0.13 0.00 0.00 0.00 0.00 54.97 53.45 1jfu s GLU 165 Cb 0.03 -5.28 0.57 0.00 2.00 0.00 0.00 34.13 31.45 1jfu s GLU 165 CO -0.10 -2.07 1.43 0.91 -0.56 0.00 0.00 175.26 174.86 1jfu n TRP 166 N 7.82 0.02 0.88 5.30 7.02 -1.26 -1.90 117.44 135.32 1jfu n TRP 166 Ca 0.36 0.01 0.11 0.00 -1.02 0.00 0.00 57.50 56.96 1jfu n TRP 166 Cb 0.48 -0.51 0.08 0.00 -2.42 0.00 0.00 31.31 28.94 1jfu n TRP 166 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jfu n ALA 167 N -1.51 2.52 -1.17 6.99 0.00 -1.26 -4.46 120.51 121.64 1jfu n ALA 167 Ca 0.03 -0.66 -0.31 0.00 0.00 0.00 0.00 53.44 52.50 1jfu n ALA 167 Cb 0.16 -0.71 0.11 0.00 0.00 0.00 0.00 19.45 19.00 1jfu n ALA 167 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jfu s SER 168 N -1.80 4.21 0.26 0.00 1.04 -0.80 -4.81 113.70 111.81 1jfu s SER 168 Ca 0.24 1.87 -0.05 0.00 0.48 0.00 0.00 55.95 58.49 1jfu s SER 168 Cb 0.18 -2.51 0.30 0.00 0.10 0.00 0.00 66.02 64.08 1jfu s SER 168 CO 0.28 -2.23 1.94 -0.33 0.98 0.00 0.00 173.24 173.87 1jfu h GLU 169 N -1.27 1.27 -0.21 4.02 4.39 -1.94 0.01 114.58 120.86 1jfu h GLU 169 Ca -0.44 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.22 1jfu h GLU 169 Cb 1.24 -0.29 -0.04 0.00 -0.10 0.00 0.00 28.75 29.56 1jfu h GLU 169 CO 0.50 0.85 -0.04 -0.44 -1.16 0.00 0.00 179.01 178.72 1jfu h ASP 170 N 1.31 -0.16 -0.20 1.42 3.32 -1.92 -0.38 116.42 119.80 1jfu h ASP 170 Ca 0.35 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.43 1jfu h ASP 170 Cb -0.15 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1jfu h ASP 170 CO -0.08 -0.05 0.02 0.00 -1.72 0.00 0.00 179.24 177.41 1jfu h ALA 171 N 1.20 0.27 -0.78 3.45 0.00 -1.61 -2.75 119.26 119.05 1jfu h ALA 171 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1jfu h ALA 171 Cb 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1jfu h ALA 171 CO -0.20 -0.04 0.36 -0.07 0.00 0.00 0.00 179.25 179.30 1jfu h LEU 172 N 0.13 1.03 -0.73 0.00 3.38 -0.80 -1.33 115.31 116.99 1jfu h LEU 172 Ca 0.06 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jfu h LEU 172 Cb 0.35 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1jfu h LEU 172 CO 0.01 0.88 0.45 0.50 0.09 0.00 0.00 178.44 180.37 1jfu h LYS 173 N 1.10 0.97 -0.30 1.13 3.64 -1.06 0.11 116.57 122.16 1jfu h LYS 173 Ca 0.26 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1jfu h LYS 173 Cb 0.14 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1jfu h LYS 173 CO -0.03 0.68 0.09 1.25 -2.27 0.00 0.00 179.45 179.17 1jfu h LEU 174 N 0.99 0.44 -0.27 5.20 6.46 -1.16 -1.46 115.31 125.51 1jfu h LEU 174 Ca 0.26 -0.21 -0.14 0.00 -0.12 0.00 0.00 57.88 57.68 1jfu h LEU 174 Cb -0.06 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.75 1jfu h LEU 174 CO -0.05 0.53 -0.36 0.40 -0.62 0.00 0.00 178.44 178.34 1jfu h ILE 175 N 0.33 1.30 -0.94 4.05 2.04 -1.06 -1.47 117.51 121.75 1jfu h ILE 175 Ca 0.10 -1.55 0.02 0.00 1.00 0.00 0.00 64.86 64.43 1jfu h ILE 175 Cb 0.25 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1jfu h ILE 175 CO -0.00 0.50 0.62 0.03 0.00 0.00 0.00 178.15 179.29 1jfu h ARG 176 N 0.46 1.20 -0.39 2.37 3.08 -0.78 -0.42 114.38 119.90 1jfu h ARG 176 Ca 0.03 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1jfu h ARG 176 Cb 0.95 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1jfu h ARG 176 CO 0.09 0.79 -0.04 0.00 -1.07 0.00 0.00 179.97 179.74 1jfu h ALA 177 N 1.37 1.21 -0.57 0.04 0.00 -1.08 -0.35 119.26 119.87 1jfu h ALA 177 Ca 0.36 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1jfu h ALA 177 Cb -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1jfu h ALA 177 CO -0.10 0.52 -0.06 0.00 0.00 0.00 0.00 179.25 179.61 1jfu h ALA 178 N 1.36 0.77 -0.18 0.00 0.00 -0.21 -3.19 119.26 117.82 1jfu h ALA 178 Ca 0.12 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 1jfu h ALA 178 Cb 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jfu h ALA 178 CO 0.02 0.65 -0.64 1.15 0.00 0.00 0.00 179.25 180.43 1jfu h THR 179 N 0.93 1.31 -0.00 0.00 2.02 -0.83 -3.50 112.91 112.83 1jfu h THR 179 Ca 0.15 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.44 1jfu h THR 179 Cb 0.62 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1jfu h THR 179 CO 0.04 0.59 0.00 0.61 0.37 0.00 0.00 175.52 177.13