#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtf s ARG 8 N 0.00 1.80 -0.11 1.20 3.00 -1.26 -4.96 118.95 118.62 2jtf s ARG 8 Ca 0.00 -2.50 -0.27 0.00 0.00 0.00 0.00 55.73 52.95 2jtf s ARG 8 Cb 0.00 -3.01 -0.27 0.00 0.00 0.00 0.00 34.95 31.67 2jtf s ARG 8 CO 0.00 -1.15 0.83 -1.35 0.00 0.00 0.00 175.30 173.64 2jtf h PRO 9 N 6.45 0.08 -6.97 3.54 0.11 -1.95 -3.32 132.00 129.93 2jtf h PRO 9 Ca -0.03 -0.12 -0.45 0.00 0.11 0.00 0.00 66.00 65.51 2jtf h PRO 9 Cb 0.89 0.04 0.05 0.00 0.11 0.00 0.00 31.00 32.10 2jtf h PRO 9 CO 0.63 1.03 0.05 0.20 -0.21 0.00 0.00 178.00 179.69 2jtf s GLY 10 N -4.21 1.73 -0.48 -0.55 0.00 -1.26 -2.65 107.32 99.90 2jtf s GLY 10 Ca -0.18 -1.11 -0.44 0.00 0.00 0.00 0.00 44.72 42.99 2jtf s GLY 10 CO 0.72 -0.81 1.97 1.39 0.00 0.00 0.00 173.10 176.37 2jtf n ILE 11 N -2.48 0.02 -4.67 0.90 5.41 -0.93 -4.02 119.36 113.59 2jtf n ILE 11 Ca 0.07 -0.02 -0.23 0.00 1.00 0.00 0.00 62.75 63.56 2jtf n ILE 11 Cb 0.59 -0.59 -0.15 0.00 -0.71 0.00 0.00 39.64 38.78 2jtf n ILE 11 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2jtf s THR 12 N 5.09 1.32 -1.26 1.39 2.01 -1.24 -2.34 115.64 120.62 2jtf s THR 12 Ca 1.14 -0.84 -0.19 0.00 0.31 0.00 0.00 61.69 62.11 2jtf s THR 12 Cb -1.45 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 69.95 2jtf s THR 12 CO 0.70 0.27 1.86 0.33 -0.69 0.00 0.00 174.62 177.09 2jtf n PHE 13 N 2.39 3.83 -3.66 4.92 7.35 -1.26 -4.78 117.46 126.25 2jtf n PHE 13 Ca -0.16 -2.42 -0.08 0.00 -0.76 0.00 0.00 57.45 54.04 2jtf n PHE 13 Cb 0.54 -2.57 -0.08 0.00 0.35 0.00 0.00 39.48 37.73 2jtf n PHE 13 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2jtf s GLU 14 N 4.76 0.61 -0.31 -4.13 0.41 -1.26 -5.07 118.70 113.71 2jtf s GLU 14 Ca 0.57 1.13 -0.29 0.00 -0.41 0.00 0.00 54.97 55.97 2jtf s GLU 14 Cb 0.05 0.14 -0.00 0.00 -1.78 0.00 0.00 34.13 32.54 2jtf s GLU 14 CO 0.08 -0.16 1.41 0.42 -0.49 0.00 0.00 175.26 176.52 2jtf s ILE 15 N 1.67 3.97 0.00 -1.63 1.09 -1.26 -1.32 121.20 123.71 2jtf s ILE 15 Ca -0.09 1.06 0.00 0.00 -1.10 0.00 0.00 60.65 60.52 2jtf s ILE 15 Cb -0.06 -4.05 0.00 0.00 -1.06 0.00 0.00 42.46 37.28 2jtf s ILE 15 CO -0.18 -0.50 0.00 0.61 -0.10 0.00 0.00 174.94 174.77 2jtf n GLY 16 N 4.60 0.89 3.96 6.18 0.00 0.65 -5.01 105.19 116.46 2jtf n GLY 16 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2jtf n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtf s ALA 17 N -2.00 2.84 0.18 4.61 0.00 -0.44 -4.77 121.76 122.19 2jtf s ALA 17 Ca 0.00 -1.45 0.10 0.00 0.00 0.00 0.00 51.96 50.61 2jtf s ALA 17 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 2jtf s ALA 17 CO 0.00 -2.06 -0.14 1.03 0.00 0.00 0.00 175.76 174.59 2jtf s ARG 18 N -5.59 1.89 0.26 0.00 0.52 -1.25 -0.10 118.95 114.68 2jtf s ARG 18 Ca 0.71 -1.34 0.09 0.00 -0.52 0.00 0.00 55.73 54.67 2jtf s ARG 18 Cb -0.04 -2.07 -0.05 0.00 0.52 0.00 0.00 34.95 33.31 2jtf s ARG 18 CO 0.50 0.43 -0.13 -0.48 0.02 0.00 0.00 175.30 175.63 2jtf s LEU 19 N -2.74 2.57 -0.37 2.53 -0.00 0.21 -3.42 118.68 117.45 2jtf s LEU 19 Ca 0.23 -1.09 -0.11 0.00 -0.00 0.00 0.00 54.13 53.17 2jtf s LEU 19 Cb -0.09 -0.81 0.03 0.00 -0.00 0.00 0.00 46.19 45.32 2jtf s LEU 19 CO 0.13 -0.17 0.20 -1.61 -0.00 0.00 0.00 176.35 174.91 2jtf s GLU 20 N -3.63 2.80 -0.12 1.48 2.02 -0.72 0.53 118.70 121.06 2jtf s GLU 20 Ca 0.27 -1.10 -0.03 0.00 0.02 0.00 0.00 54.97 54.14 2jtf s GLU 20 Cb -0.00 -3.71 -0.03 0.00 0.10 0.00 0.00 34.13 30.48 2jtf s GLU 20 CO 0.11 -0.70 -0.01 0.00 0.02 0.00 0.00 175.26 174.68 2jtf s ALA 21 N 1.54 3.20 -0.86 5.21 0.00 -0.14 0.80 121.76 131.50 2jtf s ALA 21 Ca 0.02 -0.81 -0.20 0.00 0.00 0.00 0.00 51.96 50.97 2jtf s ALA 21 Cb -0.19 -1.54 0.11 0.00 0.00 0.00 0.00 23.12 21.50 2jtf s ALA 21 CO 0.06 0.43 1.10 -1.17 0.00 0.00 0.00 175.76 176.19 2jtf s LEU 22 N -0.36 4.79 0.58 0.00 1.98 0.64 -0.68 118.68 125.63 2jtf s LEU 22 Ca 0.07 -1.74 -0.14 0.00 -2.89 0.00 0.00 54.13 49.43 2jtf s LEU 22 Cb -0.12 -2.41 -0.05 0.00 0.66 0.00 0.00 46.19 44.26 2jtf s LEU 22 CO 0.02 -1.19 1.02 1.51 -1.89 0.00 0.00 176.35 175.82 2jtf s ASP 23 N 3.74 6.23 0.00 3.68 -4.77 -0.11 -4.78 116.67 120.66 2jtf s ASP 23 Ca 0.31 1.56 0.02 0.00 -3.30 0.00 0.00 52.55 51.14 2jtf s ASP 23 Cb -0.08 -2.50 0.13 0.00 -1.09 0.00 0.00 42.92 39.39 2jtf s ASP 23 CO -0.05 -0.86 0.43 0.00 0.70 0.00 0.00 175.17 175.39 2jtf n TYR 24 N -2.23 0.00 0.93 2.11 0.18 -1.26 0.11 117.16 117.00 2jtf n TYR 24 Ca 0.07 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.97 2jtf n TYR 24 Cb 0.54 0.00 0.23 0.00 -0.38 0.00 0.00 39.34 39.73 2jtf n TYR 24 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 2jtf n LEU 25 N -0.73 0.53 -1.15 -3.48 7.99 -1.26 -4.95 117.00 113.94 2jtf n LEU 25 Ca 0.02 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.04 2jtf n LEU 25 Cb 0.01 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.08 2jtf n LEU 25 CO 0.01 0.10 0.00 0.00 -1.51 0.00 0.00 177.39 175.99 2jtf n GLN 26 N -1.59 0.00 -3.79 3.23 3.00 0.29 -5.10 117.38 113.43 2jtf n GLN 26 Ca 0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.86 2jtf n GLN 26 Cb 0.35 -1.34 -0.17 0.00 0.00 0.00 0.00 30.24 29.08 2jtf n GLN 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2jtf s LYS 27 N -2.85 0.15 -1.08 -1.09 1.02 -0.87 -4.94 119.74 110.07 2jtf s LYS 27 Ca 0.00 0.21 -0.21 0.00 0.02 0.00 0.00 55.97 55.98 2jtf s LYS 27 Cb 0.00 -0.52 0.06 0.00 -0.52 0.00 0.00 37.83 36.86 2jtf s LYS 27 CO 0.00 -0.23 1.49 -1.58 -0.92 0.00 0.00 175.35 174.11 2jtf s TRP 28 N 1.56 2.66 -0.01 3.18 0.52 -1.25 -0.93 118.94 124.66 2jtf s TRP 28 Ca -0.03 -1.10 0.03 0.00 0.02 0.00 0.00 56.10 55.02 2jtf s TRP 28 Cb -0.13 -4.67 -0.03 0.00 -1.15 0.00 0.00 33.47 27.49 2jtf s TRP 28 CO -0.03 -1.86 -0.09 1.52 0.02 0.00 0.00 176.95 176.52 2jtf s TYR 29 N 4.53 2.85 -0.47 -1.98 -0.85 0.14 -4.77 117.35 116.80 2jtf s TYR 29 Ca 0.47 -0.06 -0.27 0.00 -0.52 0.00 0.00 57.07 56.69 2jtf s TYR 29 Cb 0.00 -1.62 -0.02 0.00 0.38 0.00 0.00 41.96 40.71 2jtf s TYR 29 CO -0.05 0.33 1.82 -2.14 -1.52 0.00 0.00 175.55 173.99 2jtf s PRO 30 N -1.23 2.99 0.29 -3.49 0.02 -1.25 -0.97 135.00 131.36 2jtf s PRO 30 Ca 0.15 1.01 0.07 0.00 0.02 0.00 0.00 61.00 62.26 2jtf s PRO 30 Cb -0.11 -4.29 -0.03 0.00 0.02 0.00 0.00 34.50 30.09 2jtf s PRO 30 CO 0.05 -2.29 0.22 -1.12 -0.33 0.00 0.00 177.00 173.54 2jtf s SER 31 N 7.05 5.38 0.23 2.53 0.01 0.19 -4.84 113.70 124.26 2jtf s SER 31 Ca 0.73 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 57.61 2jtf s SER 31 Cb -0.17 -1.21 -0.04 0.00 0.21 0.00 0.00 66.02 64.81 2jtf s SER 31 CO 0.27 -0.16 0.43 -0.13 0.41 0.00 0.00 173.24 174.07 2jtf s ARG 32 N -3.89 3.53 -0.41 12.44 0.52 -0.10 0.66 118.95 131.69 2jtf s ARG 32 Ca 0.36 -0.30 -0.18 0.00 -0.52 0.00 0.00 55.73 55.10 2jtf s ARG 32 Cb -0.07 -2.79 0.02 0.00 0.52 0.00 0.00 34.95 32.63 2jtf s ARG 32 CO 0.25 0.34 0.47 0.42 0.02 0.00 0.00 175.30 176.80 2jtf s ILE 33 N -1.96 5.05 -0.02 1.52 1.01 0.86 0.49 121.20 128.15 2jtf s ILE 33 Ca 0.39 -0.22 0.10 0.00 0.00 0.00 0.00 60.65 60.93 2jtf s ILE 33 Cb -0.11 -4.05 -0.23 0.00 0.01 0.00 0.00 42.46 38.09 2jtf s ILE 33 CO 0.30 -0.42 0.76 -0.08 0.00 0.00 0.00 174.94 175.51 2jtf h GLU 34 N 8.72 0.02 -2.40 2.79 4.57 -0.84 0.19 114.58 127.63 2jtf h GLU 34 Ca -0.27 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 57.80 2jtf h GLU 34 Cb 1.11 0.02 -0.23 0.00 -0.16 0.00 0.00 28.75 29.48 2jtf h GLU 34 CO 0.80 0.64 -0.12 0.21 -1.18 0.00 0.00 179.01 179.36 2jtf s LYS 35 N -2.62 0.58 -0.18 1.92 2.36 -1.25 -4.77 119.74 115.78 2jtf s LYS 35 Ca -0.05 0.87 -0.07 0.00 -2.55 0.00 0.00 55.97 54.17 2jtf s LYS 35 Cb 0.08 0.17 -0.04 0.00 -1.05 0.00 0.00 37.83 36.99 2jtf s LYS 35 CO 0.82 -0.12 0.05 0.42 1.55 0.00 0.00 175.35 178.07 2jtf s ILE 36 N 0.92 4.65 -0.59 5.43 1.01 -1.26 0.12 121.20 131.48 2jtf s ILE 36 Ca -0.05 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.56 2jtf s ILE 36 Cb -0.05 -3.09 0.16 0.00 0.01 0.00 0.00 42.46 39.49 2jtf s ILE 36 CO -0.08 0.46 0.41 -0.62 0.00 0.00 0.00 174.94 175.11 2jtf s ASP 37 N 0.38 3.90 0.00 3.58 -1.08 0.36 -4.88 116.67 118.92 2jtf s ASP 37 Ca 0.02 -3.45 0.29 0.00 -0.52 0.00 0.00 52.55 48.89 2jtf s ASP 37 Cb -0.13 -1.30 1.24 0.00 -1.46 0.00 0.00 42.92 41.27 2jtf s ASP 37 CO 0.01 -0.14 1.89 0.00 0.52 0.00 0.00 175.17 177.44 2jtf n TYR 38 N 2.47 0.00 0.05 -5.34 4.11 -1.26 0.70 117.16 117.90 2jtf n TYR 38 Ca 0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.96 2jtf n TYR 38 Cb 0.37 -0.31 -0.08 0.00 -0.00 0.00 0.00 39.34 39.32 2jtf n TYR 38 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 2jtf h GLU 39 N 0.17 -0.08 0.18 -3.48 4.81 -1.91 -3.15 114.58 111.12 2jtf h GLU 39 Ca 0.00 0.01 -0.35 0.00 -0.13 0.00 0.00 59.36 58.89 2jtf h GLU 39 Cb 0.39 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.80 2jtf h GLU 39 CO 0.00 0.09 -1.72 1.49 -0.73 0.00 0.00 179.01 178.14 2jtf h GLU 40 N -0.23 0.38 -0.25 1.92 4.57 -1.97 -3.48 114.58 115.51 2jtf h GLU 40 Ca -0.01 -0.65 0.00 0.00 -1.18 0.00 0.00 59.36 57.53 2jtf h GLU 40 Cb 0.20 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2jtf h GLU 40 CO 0.01 1.29 0.00 0.41 -1.18 0.00 0.00 179.01 179.54 2jtf n GLY 41 N 1.83 0.68 3.29 1.92 0.00 0.18 -5.03 105.19 108.05 2jtf n GLY 41 Ca -0.23 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 2jtf n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jtf s LYS 42 N -0.65 1.31 0.03 1.61 1.02 0.22 -2.82 119.74 120.46 2jtf s LYS 42 Ca 0.00 -1.68 0.02 0.00 0.02 0.00 0.00 55.97 54.32 2jtf s LYS 42 Cb 0.00 -0.24 -0.02 0.00 -0.52 0.00 0.00 37.83 37.05 2jtf s LYS 42 CO 0.00 -0.25 -0.06 0.00 -0.92 0.00 0.00 175.35 174.12 2jtf s MET 43 N -4.00 0.45 -0.74 1.68 0.23 0.86 -0.49 119.30 117.29 2jtf s MET 43 Ca 0.33 -0.65 -0.26 0.00 -1.03 0.00 0.00 55.69 54.09 2jtf s MET 43 Cb 0.07 -0.19 0.04 0.00 -1.53 0.00 0.00 34.83 33.23 2jtf s MET 43 CO 0.11 0.03 1.21 -1.17 -2.03 0.00 0.00 175.02 173.16 2jtf s LEU 44 N -1.39 3.52 -0.31 0.18 0.20 0.12 -1.54 118.68 119.46 2jtf s LEU 44 Ca -0.10 -0.66 -0.26 0.00 0.69 0.00 0.00 54.13 53.79 2jtf s LEU 44 Cb -0.09 -2.52 0.01 0.00 -0.43 0.00 0.00 46.19 43.16 2jtf s LEU 44 CO -0.00 -1.71 0.94 0.54 -0.29 0.00 0.00 176.35 175.83 2jtf s VAL 45 N 5.23 4.65 -0.73 1.68 0.11 0.89 -0.12 120.40 132.11 2jtf s VAL 45 Ca 0.32 1.49 -0.15 0.00 -2.93 0.00 0.00 61.98 60.71 2jtf s VAL 45 Cb -0.10 -4.29 0.18 0.00 -1.53 0.00 0.00 36.38 30.64 2jtf s VAL 45 CO 0.12 -0.36 0.70 -2.28 -3.33 0.00 0.00 175.10 169.95 2jtf s HIS 46 N 3.30 3.52 0.65 1.54 2.46 0.18 -1.43 115.29 125.51 2jtf s HIS 46 Ca 0.39 -1.68 -0.12 0.00 0.47 0.00 0.00 55.06 54.13 2jtf s HIS 46 Cb -0.13 -3.85 -0.02 0.00 -0.13 0.00 0.00 32.58 28.45 2jtf s HIS 46 CO 0.14 -1.05 1.05 -0.06 -2.47 0.00 0.00 174.74 172.34 2jtf s PHE 47 N 0.91 3.30 -0.15 3.88 0.40 0.52 -0.93 117.98 125.91 2jtf s PHE 47 Ca 0.14 1.39 -0.05 0.00 -0.60 0.00 0.00 56.93 57.80 2jtf s PHE 47 Cb -0.17 -2.83 -0.15 0.00 0.51 0.00 0.00 43.02 40.38 2jtf s PHE 47 CO -0.04 -0.99 3.30 0.39 0.70 0.00 0.00 175.22 178.57 2jtf n GLU 48 N -2.84 2.11 -1.38 0.44 1.02 -1.26 -4.76 120.64 113.97 2jtf n GLU 48 Ca 0.07 -1.43 0.00 0.00 -0.02 0.00 0.00 57.16 55.78 2jtf n GLU 48 Cb 0.54 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 2jtf n GLU 48 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jtf n ARG 49 N 1.92 -1.88 -0.94 3.49 1.74 -1.26 -5.09 116.66 114.64 2jtf n ARG 49 Ca 0.44 1.68 0.00 0.00 -0.77 0.00 0.00 57.85 59.20 2jtf n ARG 49 Cb 0.79 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 2jtf n ARG 49 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2jtf n TRP 50 N 0.65 -0.69 -1.53 -1.55 2.14 0.93 -4.98 117.44 112.41 2jtf n TRP 50 Ca 0.00 0.00 -0.36 0.00 2.07 0.00 0.00 57.50 59.21 2jtf n TRP 50 Cb 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 30.42 2jtf n TRP 50 CO 0.00 0.00 0.00 0.43 2.07 0.00 0.00 177.69 180.19 2jtf n SER 51 N -1.04 1.44 0.00 -0.67 7.64 -1.26 -2.17 113.62 117.55 2jtf n SER 51 Ca 0.00 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.56 2jtf n SER 51 Cb 0.00 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 61.88 2jtf n SER 51 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2jtf n HIS 52 N 13.82 0.00 -3.74 1.43 -0.00 -1.26 -4.91 115.22 120.56 2jtf n HIS 52 Ca 0.49 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 58.08 2jtf n HIS 52 Cb 0.34 -1.59 -0.08 0.00 -0.00 0.00 0.00 29.99 28.67 2jtf n HIS 52 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 2jtf s ARG 53 N -1.47 0.75 0.00 1.57 3.52 -0.92 -5.04 118.95 117.36 2jtf s ARG 53 Ca 0.00 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 2jtf s ARG 53 Cb 0.00 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.72 2jtf s ARG 53 CO 0.00 -0.22 0.00 2.48 -0.81 0.00 0.00 175.30 176.75 2jtf n TYR 54 N 0.98 0.00 -4.62 5.12 4.11 -1.26 -0.05 117.16 121.43 2jtf n TYR 54 Ca -0.20 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.37 2jtf n TYR 54 Cb 0.57 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.76 2jtf n TYR 54 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 2jtf s ASP 55 N -0.21 3.68 0.03 9.48 1.47 -1.26 -0.35 116.67 129.52 2jtf s ASP 55 Ca 0.00 -0.45 -0.07 0.00 1.18 0.00 0.00 52.55 53.21 2jtf s ASP 55 Cb 0.00 -1.56 -0.01 0.00 -0.34 0.00 0.00 42.92 41.01 2jtf s ASP 55 CO 0.00 0.10 0.12 -0.70 0.68 0.00 0.00 175.17 175.38 2jtf s GLU 56 N 0.70 0.60 -0.25 2.11 2.56 -0.52 -5.01 118.70 118.89 2jtf s GLU 56 Ca -0.07 -0.69 -0.05 0.00 0.00 0.00 0.00 54.97 54.16 2jtf s GLU 56 Cb -0.16 0.24 -0.00 0.00 2.00 0.00 0.00 34.13 36.21 2jtf s GLU 56 CO 0.02 -0.15 0.01 -1.58 -0.56 0.00 0.00 175.26 173.00 2jtf s TRP 57 N -2.46 3.05 0.13 5.30 0.52 -1.26 -0.08 118.94 124.15 2jtf s TRP 57 Ca -0.06 -0.92 0.06 0.00 0.02 0.00 0.00 56.10 55.20 2jtf s TRP 57 Cb -0.02 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 2jtf s TRP 57 CO -0.04 -0.54 -0.14 0.42 0.02 0.00 0.00 176.95 176.67 2jtf s ILE 58 N 1.49 1.39 0.85 2.03 1.01 -0.59 -4.93 121.20 122.46 2jtf s ILE 58 Ca 0.04 -1.80 -0.09 0.00 0.00 0.00 0.00 60.65 58.81 2jtf s ILE 58 Cb -0.16 -1.62 0.17 0.00 0.01 0.00 0.00 42.46 40.87 2jtf s ILE 58 CO -0.00 -0.45 1.17 -0.31 0.00 0.00 0.00 174.94 175.35 2jtf s TYR 59 N -2.29 1.49 -0.42 3.97 1.51 -1.26 -0.10 117.35 120.25 2jtf s TYR 59 Ca 0.11 -0.00 -0.29 0.00 -1.01 0.00 0.00 57.07 55.88 2jtf s TYR 59 Cb -0.04 -3.59 0.01 0.00 -0.11 0.00 0.00 41.96 38.22 2jtf s TYR 59 CO 0.03 -2.25 1.44 -1.58 -1.11 0.00 0.00 175.55 172.09 2jtf s TRP 60 N -3.55 2.34 -1.48 2.71 0.52 -1.13 -3.80 118.94 114.56 2jtf s TRP 60 Ca 0.71 0.65 -0.01 0.00 0.02 0.00 0.00 56.10 57.47 2jtf s TRP 60 Cb -0.04 -4.31 0.01 0.00 -1.15 0.00 0.00 33.47 27.98 2jtf s TRP 60 CO 0.49 -2.05 0.29 -0.40 0.02 0.00 0.00 176.95 175.30 2jtf n ASP 61 N 9.03 -0.03 0.08 2.95 5.68 -1.25 -4.87 116.55 128.15 2jtf n ASP 61 Ca 0.17 -1.11 -0.02 0.00 -0.50 0.00 0.00 54.79 53.32 2jtf n ASP 61 Cb 0.48 -2.49 -0.06 0.00 -1.14 0.00 0.00 41.12 37.92 2jtf n ASP 61 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2jtf h SER 62 N -1.78 0.00 0.00 -1.12 4.64 -1.84 -3.45 113.55 109.99 2jtf h SER 62 Ca -0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 2jtf h SER 62 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2jtf h SER 62 CO 0.67 0.74 0.00 -0.46 -0.87 0.00 0.00 176.83 176.90 2jtf n ASN 63 N -3.20 -0.83 -2.31 4.97 0.23 -1.26 -5.00 115.26 107.86 2jtf n ASN 63 Ca -0.02 0.20 0.01 0.00 -0.53 0.00 0.00 54.58 54.24 2jtf n ASN 63 Cb 0.85 1.08 0.04 0.00 -2.08 0.00 0.00 39.78 39.67 2jtf n ASN 63 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 2jtf n ARG 64 N -2.73 1.06 -3.96 -3.83 0.00 -1.26 -5.04 116.66 100.90 2jtf n ARG 64 Ca 0.00 -2.73 -0.35 0.00 -0.00 0.00 0.00 57.85 54.77 2jtf n ARG 64 Cb 0.00 -0.84 -0.14 0.00 -0.00 0.00 0.00 32.46 31.48 2jtf n ARG 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jtf s LEU 65 N -2.42 2.85 -0.27 2.89 2.01 -1.26 -0.26 118.68 122.22 2jtf s LEU 65 Ca 0.27 -0.40 -0.09 0.00 0.01 0.00 0.00 54.13 53.92 2jtf s LEU 65 Cb 0.34 -1.72 -0.03 0.00 0.01 0.00 0.00 46.19 44.79 2jtf s LEU 65 CO -0.09 -0.01 0.12 -0.60 1.01 0.00 0.00 176.35 176.78 2jtf s ARG 66 N 1.41 3.66 0.78 1.70 3.52 0.24 -3.74 118.95 126.51 2jtf s ARG 66 Ca 0.05 -0.49 -0.13 0.00 -0.13 0.00 0.00 55.73 55.03 2jtf s ARG 66 Cb -0.14 -3.46 0.19 0.00 -1.56 0.00 0.00 34.95 29.98 2jtf s ARG 66 CO -0.03 -0.23 0.77 -2.30 -0.81 0.00 0.00 175.30 172.69 2jtf n PRO 67 N 4.97 -2.03 -2.09 5.12 -0.02 -1.26 -1.75 135.00 137.93 2jtf n PRO 67 Ca -0.15 -1.22 -0.37 0.00 -2.02 0.00 0.00 63.50 59.74 2jtf n PRO 67 Cb 0.51 -1.05 0.01 0.00 -0.02 0.00 0.00 33.50 32.96 2jtf n PRO 67 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2jtf s LEU 68 N 0.00 3.87 0.47 2.45 2.96 -0.99 -3.95 118.68 123.49 2jtf s LEU 68 Ca 0.48 2.42 0.32 0.00 -0.22 0.00 0.00 54.13 57.13 2jtf s LEU 68 Cb -0.04 -4.36 1.64 0.00 0.50 0.00 0.00 46.19 43.93 2jtf s LEU 68 CO 0.36 -1.25 1.96 1.05 -1.32 0.00 0.00 176.35 177.15 2jtf h GLU 69 N 1.57 0.00 0.00 1.98 4.11 -1.91 -3.47 114.58 116.86 2jtf h GLU 69 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2jtf h GLU 69 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2jtf h GLU 69 CO 0.58 0.00 0.00 0.54 0.07 0.00 0.00 179.01 180.20