#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtf n ARG 8 N 0.00 0.00 0.00 -3.83 1.85 -1.26 -4.68 116.66 108.73 2jtf n ARG 8 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2jtf n ARG 8 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2jtf n ARG 8 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2jtf n PRO 9 N -1.26 2.63 -1.03 2.89 -0.04 -1.26 -4.77 135.00 132.16 2jtf n PRO 9 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2jtf n PRO 9 Cb 0.00 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 33.64 2jtf n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jtf n GLY 10 N 5.00 -2.21 3.36 0.55 0.00 -1.26 -3.23 105.19 107.41 2jtf n GLY 10 Ca 0.00 -1.57 -0.52 0.00 0.00 0.00 0.00 46.02 43.94 2jtf n GLY 10 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jtf n ILE 11 N -3.94 0.01 -4.25 -0.61 5.41 -0.88 -4.29 119.36 110.82 2jtf n ILE 11 Ca 0.12 -0.03 -0.34 0.00 1.00 0.00 0.00 62.75 63.49 2jtf n ILE 11 Cb 0.44 -0.62 -0.12 0.00 -0.71 0.00 0.00 39.64 38.62 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 7.37 3.99 -1.33 1.39 2.01 -1.26 -3.53 115.64 124.28 2jtf s THR 12 Ca 1.25 -0.32 -0.15 0.00 0.31 0.00 0.00 61.69 62.79 2jtf s THR 12 Cb -1.34 -2.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 2jtf s THR 12 CO 0.58 0.47 2.27 0.49 -0.69 0.00 0.00 174.62 177.73 2jtf n PHE 13 N 3.79 2.97 -3.76 4.92 3.72 -1.26 -4.75 117.46 123.10 2jtf n PHE 13 Ca -0.17 -2.73 -0.14 0.00 -0.05 0.00 0.00 57.45 54.36 2jtf n PHE 13 Cb 0.52 -2.35 -0.15 0.00 -0.94 0.00 0.00 39.48 36.56 2jtf n PHE 13 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2jtf s GLU 14 N 3.40 0.05 -0.30 -1.08 0.41 -1.26 -5.07 118.70 114.85 2jtf s GLU 14 Ca 0.52 0.31 -0.29 0.00 -0.41 0.00 0.00 54.97 55.10 2jtf s GLU 14 Cb 0.14 -0.20 -0.02 0.00 -1.78 0.00 0.00 34.13 32.28 2jtf s GLU 14 CO -0.04 -0.16 1.70 0.42 -0.49 0.00 0.00 175.26 176.68 2jtf s ILE 15 N 1.12 3.59 0.00 -1.63 1.01 -1.26 -1.19 121.20 122.83 2jtf s ILE 15 Ca -0.09 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.18 2jtf s ILE 15 Cb -0.12 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2jtf s ILE 15 CO -0.05 -0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.09 2jtf n GLY 16 N 5.14 1.76 3.85 6.18 0.00 0.25 -5.00 105.19 117.37 2jtf n GLY 16 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.09 2.91 -0.08 4.61 0.00 -0.34 -4.67 121.76 122.11 2jtf s ALA 17 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 2jtf s ALA 17 Cb 0.00 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 2jtf s ALA 17 CO 0.00 -0.93 0.29 1.03 0.00 0.00 0.00 175.76 176.14 2jtf s ARG 18 N -5.13 3.81 0.37 0.00 0.52 -1.26 -0.76 118.95 116.50 2jtf s ARG 18 Ca 0.56 0.15 0.04 0.00 -0.52 0.00 0.00 55.73 55.96 2jtf s ARG 18 Cb -0.12 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 2jtf s ARG 18 CO 0.54 0.64 0.08 -0.48 0.02 0.00 0.00 175.30 176.10 2jtf s LEU 19 N -0.76 2.10 -0.24 2.53 -0.00 0.33 -3.98 118.68 118.67 2jtf s LEU 19 Ca 0.19 -1.52 -0.08 0.00 -0.00 0.00 0.00 54.13 52.72 2jtf s LEU 19 Cb -0.14 -0.28 -0.03 0.00 -0.00 0.00 0.00 46.19 45.73 2jtf s LEU 19 CO 0.08 -0.76 0.08 -1.61 -0.00 0.00 0.00 176.35 174.14 2jtf s GLU 20 N -3.82 3.74 0.28 1.48 2.02 -0.78 0.24 118.70 121.86 2jtf s GLU 20 Ca 0.29 -0.44 0.06 0.00 0.02 0.00 0.00 54.97 54.90 2jtf s GLU 20 Cb 0.06 -3.33 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 2jtf s GLU 20 CO 0.14 -0.09 -0.04 0.00 0.02 0.00 0.00 175.26 175.29 2jtf s ALA 21 N 1.37 2.27 -0.27 5.21 0.00 -0.16 0.97 121.76 131.15 2jtf s ALA 21 Ca 0.05 -1.89 -0.05 0.00 0.00 0.00 0.00 51.96 50.06 2jtf s ALA 21 Cb -0.15 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.23 2jtf s ALA 21 CO 0.04 -0.11 0.03 -1.17 0.00 0.00 0.00 175.76 174.55 2jtf s LEU 22 N -3.43 3.49 0.40 0.00 0.20 0.61 -0.05 118.68 119.91 2jtf s LEU 22 Ca 0.30 -0.59 0.08 0.00 0.69 0.00 0.00 54.13 54.60 2jtf s LEU 22 Cb 0.04 -1.83 0.00 0.00 -0.43 0.00 0.00 46.19 43.98 2jtf s LEU 22 CO 0.12 -0.12 0.52 1.51 -0.29 0.00 0.00 176.35 178.09 2jtf s ASP 23 N 1.49 5.63 0.61 3.68 -4.77 -0.31 -4.82 116.67 118.18 2jtf s ASP 23 Ca 0.03 -0.42 0.26 0.00 -3.30 0.00 0.00 52.55 49.12 2jtf s ASP 23 Cb -0.16 -0.76 1.15 0.00 -1.09 0.00 0.00 42.92 42.06 2jtf s ASP 23 CO 0.00 -0.68 1.58 0.22 0.70 0.00 0.00 175.17 177.00 2jtf h TYR 24 N 0.75 0.00 0.00 2.11 3.20 -1.96 1.14 116.97 122.21 2jtf h TYR 24 Ca -0.41 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.46 2jtf h TYR 24 Cb 1.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.54 2jtf h TYR 24 CO 0.42 0.00 0.00 1.28 -1.64 0.00 0.00 178.16 178.22 2jtf n LEU 25 N -3.32 0.00 -1.73 2.82 7.99 -1.26 -4.82 117.00 116.67 2jtf n LEU 25 Ca 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 56.03 2jtf n LEU 25 Cb 1.01 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 44.36 2jtf n LEU 25 CO 0.22 0.00 0.10 0.00 -1.51 0.00 0.00 177.39 176.20 2jtf n GLN 26 N -0.97 -3.17 -4.62 3.23 3.00 0.39 -5.00 117.38 110.24 2jtf n GLN 26 Ca 0.21 0.33 -0.33 0.00 -0.01 0.00 0.00 57.00 57.21 2jtf n GLN 26 Cb 0.10 -3.86 -0.16 0.00 0.00 0.00 0.00 30.24 26.31 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 -5.52 3.04 -0.94 -1.09 -0.14 -0.88 -4.89 119.74 109.33 2jtf s LYS 27 Ca 0.23 -0.84 -0.20 0.00 -1.36 0.00 0.00 55.97 53.80 2jtf s LYS 27 Cb -0.10 -2.47 0.10 0.00 -1.68 0.00 0.00 37.83 33.68 2jtf s LYS 27 CO 0.29 -0.02 1.22 -1.58 -0.76 0.00 0.00 175.35 174.49 2jtf s TRP 28 N 0.85 2.90 0.07 3.18 0.52 -1.23 -1.17 118.94 124.06 2jtf s TRP 28 Ca -0.06 -1.15 0.06 0.00 0.02 0.00 0.00 56.10 54.97 2jtf s TRP 28 Cb -0.15 -4.42 -0.03 0.00 -1.15 0.00 0.00 33.47 27.72 2jtf s TRP 28 CO -0.02 -1.65 -0.16 1.52 0.02 0.00 0.00 176.95 176.65 2jtf s TYR 29 N 3.52 1.41 -0.18 -1.98 1.13 0.92 -4.82 117.35 117.36 2jtf s TYR 29 Ca 0.36 -0.43 -0.28 0.00 -1.41 0.00 0.00 57.07 55.31 2jtf s TYR 29 Cb -0.04 -0.80 -0.05 0.00 -1.10 0.00 0.00 41.96 39.97 2jtf s TYR 29 CO -0.08 0.10 2.13 -2.14 -2.51 0.00 0.00 175.55 173.04 2jtf s PRO 30 N -1.67 3.34 0.40 -3.49 0.02 -1.25 -0.99 135.00 131.36 2jtf s PRO 30 Ca 0.01 2.08 0.03 0.00 0.02 0.00 0.00 61.00 63.14 2jtf s PRO 30 Cb -0.10 -4.31 0.03 0.00 0.02 0.00 0.00 34.50 30.14 2jtf s PRO 30 CO 0.03 -1.87 0.26 0.43 -0.33 0.00 0.00 177.00 175.52 2jtf n SER 31 N 10.78 2.40 -4.28 2.53 7.64 0.14 -4.86 113.62 127.96 2jtf n SER 31 Ca 0.27 -2.43 -0.23 0.00 1.01 0.00 0.00 58.87 57.49 2jtf n SER 31 Cb 0.44 0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.53 2jtf n SER 31 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jtf s ARG 32 N -3.62 1.11 -0.05 1.43 0.52 -0.56 -0.51 118.95 117.27 2jtf s ARG 32 Ca 0.20 -1.19 -0.20 0.00 -0.52 0.00 0.00 55.73 54.02 2jtf s ARG 32 Cb -0.02 -1.29 -0.05 0.00 0.52 0.00 0.00 34.95 34.12 2jtf s ARG 32 CO 0.13 0.29 0.58 0.42 0.02 0.00 0.00 175.30 176.74 2jtf s ILE 33 N -1.39 5.02 -0.18 1.52 1.01 0.06 0.20 121.20 127.44 2jtf s ILE 33 Ca 0.07 1.20 0.07 0.00 0.00 0.00 0.00 60.65 62.00 2jtf s ILE 33 Cb -0.09 -3.92 -0.16 0.00 0.01 0.00 0.00 42.46 38.30 2jtf s ILE 33 CO 0.04 0.36 -0.07 1.21 0.00 0.00 0.00 174.94 176.48 2jtf n GLU 34 N 3.22 0.91 -3.78 2.79 4.07 0.11 -0.58 120.64 127.38 2jtf n GLU 34 Ca -0.06 0.06 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 2jtf n GLU 34 Cb 0.51 -1.41 -0.08 0.00 -0.06 0.00 0.00 31.44 30.40 2jtf n GLU 34 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2jtf s LYS 35 N -2.40 0.70 -0.03 5.31 -0.14 -1.19 -4.79 119.74 117.20 2jtf s LYS 35 Ca -0.19 -0.38 0.03 0.00 -1.36 0.00 0.00 55.97 54.07 2jtf s LYS 35 Cb 0.06 0.30 0.00 0.00 -1.68 0.00 0.00 37.83 36.52 2jtf s LYS 35 CO 0.55 -0.20 -0.11 0.42 -0.76 0.00 0.00 175.35 175.25 2jtf s ILE 36 N -1.92 0.95 -0.19 2.17 1.01 -1.26 0.03 121.20 122.00 2jtf s ILE 36 Ca -0.10 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2jtf s ILE 36 Cb -0.03 -0.84 0.03 0.00 0.01 0.00 0.00 42.46 41.63 2jtf s ILE 36 CO 0.00 0.29 -0.18 -0.62 0.00 0.00 0.00 174.94 174.43 2jtf s ASP 37 N 0.14 3.24 -0.02 3.58 -1.08 0.12 -4.97 116.67 117.68 2jtf s ASP 37 Ca -0.03 -0.73 0.19 0.00 -0.52 0.00 0.00 52.55 51.46 2jtf s ASP 37 Cb -0.09 -1.45 -0.28 0.00 -1.46 0.00 0.00 42.92 39.64 2jtf s ASP 37 CO 0.01 -0.03 0.45 -1.22 0.52 0.00 0.00 175.17 174.90 2jtf n TYR 38 N 4.62 0.00 -0.05 -5.34 4.02 -1.26 0.30 117.16 119.44 2jtf n TYR 38 Ca -0.20 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.57 2jtf n TYR 38 Cb 0.49 -0.37 -0.07 0.00 -0.02 0.00 0.00 39.34 39.37 2jtf n TYR 38 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2jtf h GLU 39 N 0.00 0.30 0.07 -0.72 5.08 -1.93 -3.09 114.58 114.29 2jtf h GLU 39 Ca 0.00 -0.14 -0.31 0.00 -1.00 0.00 0.00 59.36 57.90 2jtf h GLU 39 Cb 0.80 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2jtf h GLU 39 CO 0.00 0.66 -1.71 1.49 -1.00 0.00 0.00 179.01 178.45 2jtf h GLU 40 N -0.05 0.15 -2.03 2.33 4.57 -2.01 -3.49 114.58 114.05 2jtf h GLU 40 Ca 0.03 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2jtf h GLU 40 Cb 0.58 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 2jtf h GLU 40 CO 0.02 0.90 0.00 0.41 -1.18 0.00 0.00 179.01 179.17 2jtf n GLY 41 N 1.71 0.29 3.04 1.92 0.00 -0.93 -4.96 105.19 106.25 2jtf n GLY 41 Ca -0.20 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.68 0.43 0.09 1.61 1.02 0.15 -2.95 119.74 117.40 2jtf s LYS 42 Ca 0.00 -0.63 0.08 0.00 0.02 0.00 0.00 55.97 55.43 2jtf s LYS 42 Cb 0.00 0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.44 2jtf s LYS 42 CO 0.00 -0.09 -0.21 0.00 -0.92 0.00 0.00 175.35 174.14 2jtf s MET 43 N -1.85 1.18 -0.94 1.68 0.23 0.10 0.13 119.30 119.83 2jtf s MET 43 Ca -0.12 -1.10 -0.21 0.00 -1.03 0.00 0.00 55.69 53.24 2jtf s MET 43 Cb -0.06 -1.40 0.09 0.00 -1.53 0.00 0.00 34.83 31.93 2jtf s MET 43 CO -0.02 0.33 1.24 -1.17 -2.03 0.00 0.00 175.02 173.38 2jtf s LEU 44 N -1.71 4.34 -0.08 0.18 1.98 0.10 -1.47 118.68 122.03 2jtf s LEU 44 Ca 0.06 -1.68 -0.26 0.00 -2.89 0.00 0.00 54.13 49.36 2jtf s LEU 44 Cb -0.10 -2.47 -0.03 0.00 0.66 0.00 0.00 46.19 44.26 2jtf s LEU 44 CO 0.04 -1.29 0.85 0.54 -1.89 0.00 0.00 176.35 174.59 2jtf s VAL 45 N 3.77 4.92 -0.47 1.68 0.11 -0.09 -0.71 120.40 129.61 2jtf s VAL 45 Ca 0.37 1.73 -0.15 0.00 -2.93 0.00 0.00 61.98 61.00 2jtf s VAL 45 Cb -0.04 -4.17 0.08 0.00 -1.53 0.00 0.00 36.38 30.71 2jtf s VAL 45 CO -0.07 0.13 0.39 -2.28 -3.33 0.00 0.00 175.10 169.94 2jtf s HIS 46 N 1.38 3.26 0.71 1.54 2.46 0.13 -1.30 115.29 123.47 2jtf s HIS 46 Ca 0.43 -1.02 -0.05 0.00 0.47 0.00 0.00 55.06 54.90 2jtf s HIS 46 Cb -0.18 -3.19 0.09 0.00 -0.13 0.00 0.00 32.58 29.17 2jtf s HIS 46 CO 0.19 -0.82 1.00 -0.06 -2.47 0.00 0.00 174.74 172.58 2jtf s PHE 47 N 1.62 2.38 -1.31 3.88 0.40 0.46 -1.49 117.98 123.92 2jtf s PHE 47 Ca 0.04 0.14 -0.10 0.00 -0.60 0.00 0.00 56.93 56.41 2jtf s PHE 47 Cb -0.25 -3.17 0.15 0.00 0.51 0.00 0.00 43.02 40.26 2jtf s PHE 47 CO 0.06 -1.54 1.94 -1.91 0.70 0.00 0.00 175.22 174.46 2jtf n GLU 48 N -2.89 3.50 -3.29 0.44 2.13 -1.26 -4.69 120.64 114.58 2jtf n GLU 48 Ca 0.11 -3.37 -0.18 0.00 0.66 0.00 0.00 57.16 54.38 2jtf n GLU 48 Cb 0.60 -2.99 0.02 0.00 0.27 0.00 0.00 31.44 29.35 2jtf n GLU 48 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2jtf n ARG 49 N 4.23 -1.33 -3.06 5.31 0.63 -1.26 -4.86 116.66 116.31 2jtf n ARG 49 Ca 0.42 1.27 -0.45 0.00 -0.92 0.00 0.00 57.85 58.17 2jtf n ARG 49 Cb 0.37 -1.99 -0.01 0.00 0.45 0.00 0.00 32.46 31.27 2jtf n ARG 49 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 2jtf s TRP 50 N -1.34 3.51 0.00 -0.14 1.48 0.59 -4.85 118.94 118.19 2jtf s TRP 50 Ca 0.19 -1.90 0.00 0.00 -1.06 0.00 0.00 56.10 53.33 2jtf s TRP 50 Cb -0.02 -4.15 0.00 0.00 -1.16 0.00 0.00 33.47 28.14 2jtf s TRP 50 CO 0.49 -1.30 0.00 0.43 -4.06 0.00 0.00 176.95 172.51 2jtf n SER 51 N 5.29 0.00 -0.11 -2.66 7.64 -1.26 -3.55 113.62 118.98 2jtf n SER 51 Ca 0.26 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.96 2jtf n SER 51 Cb 0.46 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.00 0.44 -3.29 1.43 -0.00 -1.26 -4.98 115.22 107.55 2jtf n HIS 52 Ca 0.00 0.19 -0.21 0.00 -0.00 0.00 0.00 57.72 57.70 2jtf n HIS 52 Cb 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 29.99 29.13 2jtf n HIS 52 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2jtf s ARG 53 N -2.51 3.12 0.00 1.57 1.81 -1.23 -5.00 118.95 116.71 2jtf s ARG 53 Ca -0.29 -0.76 0.00 0.00 -1.72 0.00 0.00 55.73 52.96 2jtf s ARG 53 Cb 0.08 -2.71 0.00 0.00 -0.45 0.00 0.00 34.95 31.87 2jtf s ARG 53 CO 0.45 -0.05 0.66 2.48 -0.68 0.00 0.00 175.30 178.16 2jtf n TYR 54 N -1.81 0.00 -3.78 -0.53 0.18 -1.26 -0.30 117.16 109.65 2jtf n TYR 54 Ca -0.00 -0.21 -0.10 0.00 1.88 0.00 0.00 57.90 59.47 2jtf n TYR 54 Cb 0.58 -0.02 -0.07 0.00 -0.38 0.00 0.00 39.34 39.45 2jtf n TYR 54 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 2jtf s ASP 55 N -0.42 -0.03 -0.09 9.48 -4.77 -1.26 -0.40 116.67 119.18 2jtf s ASP 55 Ca 0.00 -0.41 -0.30 0.00 -3.30 0.00 0.00 52.55 48.54 2jtf s ASP 55 Cb 0.00 0.36 0.11 0.00 -1.09 0.00 0.00 42.92 42.30 2jtf s ASP 55 CO 0.00 -0.69 0.89 -0.70 0.70 0.00 0.00 175.17 175.37 2jtf s GLU 56 N -3.28 0.77 -0.38 2.11 2.12 -0.42 -4.95 118.70 114.66 2jtf s GLU 56 Ca 0.00 0.07 -0.23 0.00 0.36 0.00 0.00 54.97 55.17 2jtf s GLU 56 Cb 0.02 0.36 0.01 0.00 0.26 0.00 0.00 34.13 34.78 2jtf s GLU 56 CO -0.08 -0.26 0.79 -1.58 -0.54 0.00 0.00 175.26 173.59 2jtf s TRP 57 N -1.60 3.09 0.08 5.30 0.52 -1.26 -0.92 118.94 124.16 2jtf s TRP 57 Ca -0.02 0.49 0.09 0.00 0.02 0.00 0.00 56.10 56.68 2jtf s TRP 57 Cb -0.00 -3.46 -0.03 0.00 -1.15 0.00 0.00 33.47 28.82 2jtf s TRP 57 CO 0.01 -0.78 -0.23 0.42 0.02 0.00 0.00 176.95 176.38 2jtf s ILE 58 N 3.15 1.90 0.82 2.03 1.01 -0.54 -4.91 121.20 124.66 2jtf s ILE 58 Ca 0.31 -1.48 -0.08 0.00 0.00 0.00 0.00 60.65 59.40 2jtf s ILE 58 Cb -0.13 -1.67 0.18 0.00 0.01 0.00 0.00 42.46 40.84 2jtf s ILE 58 CO 0.18 0.12 1.11 -1.22 0.00 0.00 0.00 174.94 175.13 2jtf n TYR 59 N 1.36 -3.50 -1.81 3.97 4.01 -1.26 0.01 117.16 119.93 2jtf n TYR 59 Ca -0.18 -1.38 -0.38 0.00 -0.16 0.00 0.00 57.90 55.80 2jtf n TYR 59 Cb 0.53 -0.84 -0.03 0.00 -0.31 0.00 0.00 39.34 38.69 2jtf n TYR 59 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2jtf s TRP 60 N -3.37 1.40 -1.08 -0.72 0.23 -1.15 -3.40 118.94 110.85 2jtf s TRP 60 Ca 0.68 1.11 -0.22 0.00 -2.03 0.00 0.00 56.10 55.64 2jtf s TRP 60 Cb -0.03 -3.86 0.02 0.00 0.03 0.00 0.00 33.47 29.63 2jtf s TRP 60 CO 0.46 -2.50 0.70 -0.40 0.96 0.00 0.00 176.95 176.17 2jtf n ASP 61 N 13.97 -4.80 0.06 2.95 5.68 -1.26 -4.91 116.55 128.23 2jtf n ASP 61 Ca 0.28 -1.10 0.04 0.00 -0.50 0.00 0.00 54.79 53.51 2jtf n ASP 61 Cb 0.53 -2.28 -0.05 0.00 -1.14 0.00 0.00 41.12 38.17 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 -1.77 0.00 0.00 -1.12 4.64 -1.82 -3.47 113.55 110.01 2jtf h SER 62 Ca -0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 2jtf h SER 62 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2jtf h SER 62 CO 0.46 0.38 0.00 -0.46 -0.87 0.00 0.00 176.83 176.35 2jtf n ASN 63 N -2.83 0.00 -1.17 4.97 0.23 -1.26 -5.00 115.26 110.21 2jtf n ASN 63 Ca -0.06 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.03 2jtf n ASN 63 Cb 0.74 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.52 2jtf n ASN 63 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2jtf n ARG 64 N -0.72 0.49 -4.55 -3.83 1.74 -1.26 -4.95 116.66 103.58 2jtf n ARG 64 Ca 0.00 -2.35 -0.21 0.00 -0.77 0.00 0.00 57.85 54.52 2jtf n ARG 64 Cb 0.00 -0.52 -0.15 0.00 -1.02 0.00 0.00 32.46 30.77 2jtf n ARG 64 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jtf s LEU 65 N -1.00 2.03 -0.19 0.55 2.01 -1.26 -0.28 118.68 120.54 2jtf s LEU 65 Ca 0.34 -0.24 -0.00 0.00 0.01 0.00 0.00 54.13 54.24 2jtf s LEU 65 Cb 0.37 -0.64 0.05 0.00 0.01 0.00 0.00 46.19 45.97 2jtf s LEU 65 CO -0.13 0.15 -0.06 -0.60 1.01 0.00 0.00 176.35 176.72 2jtf s ARG 66 N -0.35 1.56 0.20 1.70 3.52 0.27 -4.22 118.95 121.64 2jtf s ARG 66 Ca 0.05 -0.71 -0.03 0.00 -0.13 0.00 0.00 55.73 54.90 2jtf s ARG 66 Cb -0.05 -2.26 0.05 0.00 -1.56 0.00 0.00 34.95 31.13 2jtf s ARG 66 CO -0.00 -0.49 0.16 -0.35 -0.81 0.00 0.00 175.30 173.81 2jtf n PRO 67 N 4.79 -1.61 -1.08 5.12 -0.04 -1.26 -1.87 135.00 139.06 2jtf n PRO 67 Ca -0.12 -0.26 -0.29 0.00 -0.04 0.00 0.00 63.50 62.79 2jtf n PRO 67 Cb 0.46 -0.27 0.20 0.00 -0.04 0.00 0.00 33.50 33.86 2jtf n PRO 67 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2jtf s LEU 68 N 0.00 1.24 0.61 1.53 2.96 -1.23 -3.50 118.68 120.29 2jtf s LEU 68 Ca 0.11 1.08 0.32 0.00 -0.22 0.00 0.00 54.13 55.42 2jtf s LEU 68 Cb -0.01 -3.12 1.86 0.00 0.50 0.00 0.00 46.19 45.41 2jtf s LEU 68 CO 0.09 -3.51 2.20 1.05 -1.32 0.00 0.00 176.35 174.86 2jtf h GLU 69 N -2.16 0.00 0.00 1.98 4.11 -1.93 -3.47 114.58 113.11 2jtf h GLU 69 Ca -0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.89 2jtf h GLU 69 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2jtf h GLU 69 CO 0.52 0.00 0.00 -2.13 0.07 0.00 0.00 179.01 177.47