#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 -2.36 -2.07 1.20 3.00 -1.26 -4.45 116.66 110.72 2jtf n ARG 8 Ca 0.00 2.06 -0.28 0.00 -0.01 0.00 0.00 57.85 59.62 2jtf n ARG 8 Cb 0.00 -4.32 -0.06 0.00 0.00 0.00 0.00 32.46 28.09 2jtf n ARG 8 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 2jtf s PRO 9 N -1.46 2.55 0.00 5.56 0.02 -1.26 -4.63 135.00 135.78 2jtf s PRO 9 Ca 0.05 -0.82 0.00 0.00 0.02 0.00 0.00 61.00 60.25 2jtf s PRO 9 Cb -0.01 -5.18 0.00 0.00 0.02 0.00 0.00 34.50 29.33 2jtf s PRO 9 CO 0.57 -3.70 0.00 0.41 -0.33 0.00 0.00 177.00 173.95 2jtf n GLY 10 N 6.24 0.60 3.57 0.52 0.00 -1.21 -3.96 105.19 110.95 2jtf n GLY 10 Ca 0.43 -1.49 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 2jtf n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jtf s ILE 11 N -1.75 3.39 -0.00 -0.61 1.01 -1.23 -3.68 121.20 118.34 2jtf s ILE 11 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 60.65 59.88 2jtf s ILE 11 Cb 0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 2jtf s ILE 11 CO 0.00 -0.76 0.70 -0.89 0.00 0.00 0.00 174.94 173.99 2jtf s THR 12 N 11.88 4.88 -1.19 2.92 2.01 -1.26 -4.43 115.64 130.45 2jtf s THR 12 Ca 0.73 1.47 -0.19 0.00 0.31 0.00 0.00 61.69 64.01 2jtf s THR 12 Cb -0.04 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 2jtf s THR 12 CO 0.09 0.34 1.97 0.49 -0.69 0.00 0.00 174.62 176.81 2jtf n PHE 13 N 3.10 3.25 -3.74 4.92 3.72 -1.26 -4.68 117.46 122.77 2jtf n PHE 13 Ca -0.03 -2.34 -0.12 0.00 -0.05 0.00 0.00 57.45 54.91 2jtf n PHE 13 Cb 0.51 -2.38 -0.12 0.00 -0.94 0.00 0.00 39.48 36.55 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 4.58 0.31 -0.70 -1.08 2.02 -1.26 -5.06 118.70 117.52 2jtf s GLU 14 Ca 0.56 0.53 -0.27 0.00 0.02 0.00 0.00 54.97 55.81 2jtf s GLU 14 Cb 0.09 0.04 0.01 0.00 0.10 0.00 0.00 34.13 34.36 2jtf s GLU 14 CO 0.05 -0.10 1.52 0.42 0.02 0.00 0.00 175.26 177.16 2jtf s ILE 15 N 0.76 3.58 0.00 -1.63 1.01 -1.26 -1.30 121.20 122.35 2jtf s ILE 15 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.89 2jtf s ILE 15 Cb -0.06 -4.54 0.00 0.00 0.01 0.00 0.00 42.46 37.87 2jtf s ILE 15 CO -0.05 -1.49 0.00 0.61 0.00 0.00 0.00 174.94 174.01 2jtf n GLY 16 N 5.56 1.10 3.77 6.18 0.00 0.12 -4.96 105.19 116.96 2jtf n GLY 16 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.22 2.98 -0.34 4.61 0.00 -0.42 -4.57 121.76 123.79 2jtf s ALA 17 Ca 0.00 0.99 -0.07 0.00 0.00 0.00 0.00 51.96 52.88 2jtf s ALA 17 Cb 0.00 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.75 2jtf s ALA 17 CO 0.00 -0.74 0.12 0.50 0.00 0.00 0.00 175.76 175.64 2jtf s ARG 18 N -2.68 2.67 0.31 0.00 3.52 -1.26 -0.14 118.95 121.38 2jtf s ARG 18 Ca 0.64 -1.15 0.01 0.00 -0.13 0.00 0.00 55.73 55.10 2jtf s ARG 18 Cb -0.30 -3.49 0.06 0.00 -1.56 0.00 0.00 34.95 29.65 2jtf s ARG 18 CO 0.37 -0.66 0.43 1.47 -0.81 0.00 0.00 175.30 176.10 2jtf n LEU 19 N 4.84 0.00 -4.49 -0.88 -0.00 0.24 -3.31 117.00 113.41 2jtf n LEU 19 Ca -0.12 -1.00 -0.35 0.00 -0.00 0.00 0.00 56.01 54.54 2jtf n LEU 19 Cb 0.45 -0.27 -0.12 0.00 -0.00 0.00 0.00 43.42 43.48 2jtf n LEU 19 CO 0.32 -0.69 -0.32 -1.61 -0.00 0.00 0.00 177.39 175.09 2jtf s GLU 20 N -3.50 3.68 0.06 1.47 2.02 -0.74 -0.12 118.70 121.57 2jtf s GLU 20 Ca 0.29 -0.49 0.04 0.00 0.02 0.00 0.00 54.97 54.83 2jtf s GLU 20 Cb -0.02 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.11 2jtf s GLU 20 CO 0.19 0.09 -0.13 0.00 0.02 0.00 0.00 175.26 175.44 2jtf s ALA 21 N 0.79 1.04 -0.58 5.21 0.00 -0.15 0.28 121.76 128.35 2jtf s ALA 21 Ca 0.01 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 50.89 2jtf s ALA 21 Cb -0.14 -0.08 0.13 0.00 0.00 0.00 0.00 23.12 23.03 2jtf s ALA 21 CO 0.02 0.14 0.58 -1.17 0.00 0.00 0.00 175.76 175.33 2jtf s LEU 22 N -1.59 6.06 0.67 0.00 0.20 0.19 -0.32 118.68 123.90 2jtf s LEU 22 Ca -0.03 -1.81 -0.05 0.00 0.69 0.00 0.00 54.13 52.93 2jtf s LEU 22 Cb -0.10 -2.23 0.05 0.00 -0.43 0.00 0.00 46.19 43.48 2jtf s LEU 22 CO 0.02 -0.89 0.97 1.51 -0.29 0.00 0.00 176.35 177.66 2jtf s ASP 23 N 3.47 5.00 0.55 3.68 -4.77 -0.19 -4.78 116.67 119.63 2jtf s ASP 23 Ca 0.07 0.44 0.42 0.00 -3.30 0.00 0.00 52.55 50.17 2jtf s ASP 23 Cb -0.27 -1.17 1.61 0.00 -1.09 0.00 0.00 42.92 42.01 2jtf s ASP 23 CO 0.02 -1.46 1.71 0.22 0.70 0.00 0.00 175.17 176.37 2jtf h TYR 24 N -0.45 0.00 0.00 2.11 3.20 -1.96 1.18 116.97 121.05 2jtf h TYR 24 Ca -0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2jtf h TYR 24 Cb 1.30 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.57 2jtf h TYR 24 CO 0.36 0.00 0.00 1.28 -1.64 0.00 0.00 178.16 178.16 2jtf n LEU 25 N -4.06 0.00 -1.87 2.82 7.99 -1.26 -4.84 117.00 115.78 2jtf n LEU 25 Ca 0.32 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 56.23 2jtf n LEU 25 Cb 1.54 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 44.88 2jtf n LEU 25 CO 0.42 0.00 0.09 0.00 -1.51 0.00 0.00 177.39 176.38 2jtf n GLN 26 N -0.81 -3.20 -4.44 3.23 3.00 0.40 -5.01 117.38 110.55 2jtf n GLN 26 Ca 0.14 0.35 -0.30 0.00 -0.01 0.00 0.00 57.00 57.18 2jtf n GLN 26 Cb 0.07 -3.92 -0.17 0.00 0.00 0.00 0.00 30.24 26.22 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 -5.27 2.49 -1.18 -1.09 -0.14 -0.87 -4.89 119.74 108.79 2jtf s LYS 27 Ca 0.18 -0.65 -0.20 0.00 -1.36 0.00 0.00 55.97 53.93 2jtf s LYS 27 Cb -0.08 -2.10 0.06 0.00 -1.68 0.00 0.00 37.83 34.03 2jtf s LYS 27 CO 0.31 -0.08 1.61 -1.58 -0.76 0.00 0.00 175.35 174.85 2jtf s TRP 28 N 1.02 2.68 0.22 3.18 0.52 -1.25 -1.02 118.94 124.29 2jtf s TRP 28 Ca -0.05 -1.29 0.10 0.00 0.02 0.00 0.00 56.10 54.88 2jtf s TRP 28 Cb -0.15 -4.73 -0.04 0.00 -1.15 0.00 0.00 33.47 27.40 2jtf s TRP 28 CO -0.03 -1.86 -0.13 1.52 0.02 0.00 0.00 176.95 176.46 2jtf s TYR 29 N 4.52 2.50 0.01 -1.98 1.13 0.57 -4.77 117.35 119.34 2jtf s TYR 29 Ca 0.50 -0.27 -0.30 0.00 -1.41 0.00 0.00 57.07 55.59 2jtf s TYR 29 Cb 0.02 -1.18 -0.08 0.00 -1.10 0.00 0.00 41.96 39.63 2jtf s TYR 29 CO 0.00 0.57 1.80 -2.14 -2.51 0.00 0.00 175.55 173.27 2jtf s PRO 30 N -3.08 4.16 0.08 -3.49 0.02 -1.25 -0.98 135.00 130.46 2jtf s PRO 30 Ca 0.26 2.42 0.08 0.00 0.02 0.00 0.00 61.00 63.78 2jtf s PRO 30 Cb -0.07 -3.99 -0.03 0.00 0.02 0.00 0.00 34.50 30.43 2jtf s PRO 30 CO 0.15 -0.88 -0.20 -1.12 -0.33 0.00 0.00 177.00 174.62 2jtf s SER 31 N 3.66 2.45 0.09 2.53 0.01 0.82 -4.67 113.70 118.59 2jtf s SER 31 Ca 0.80 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 57.44 2jtf s SER 31 Cb -0.39 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 65.65 2jtf s SER 31 CO 0.36 0.08 0.24 -0.13 0.41 0.00 0.00 173.24 174.19 2jtf s ARG 32 N -1.66 3.45 -0.21 12.44 0.52 0.05 0.83 118.95 134.38 2jtf s ARG 32 Ca 0.06 -0.47 -0.27 0.00 -0.52 0.00 0.00 55.73 54.53 2jtf s ARG 32 Cb -0.10 -3.01 -0.00 0.00 0.52 0.00 0.00 34.95 32.36 2jtf s ARG 32 CO 0.03 0.58 0.92 0.42 0.02 0.00 0.00 175.30 177.27 2jtf s ILE 33 N -1.58 4.79 -1.81 1.52 1.01 0.80 0.57 121.20 126.51 2jtf s ILE 33 Ca 0.35 1.78 0.16 0.00 0.00 0.00 0.00 60.65 62.94 2jtf s ILE 33 Cb -0.12 -4.20 0.09 0.00 0.01 0.00 0.00 42.46 38.23 2jtf s ILE 33 CO 0.28 -0.08 0.95 -0.62 0.00 0.00 0.00 174.94 175.47 2jtf n GLU 34 N 5.81 1.37 0.00 2.79 1.02 0.86 -0.71 120.64 131.79 2jtf n GLU 34 Ca 0.08 -1.25 0.00 0.00 -0.02 0.00 0.00 57.16 55.97 2jtf n GLU 34 Cb 0.47 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 2jtf n GLU 34 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jtf n LYS 35 N 0.59 0.00 -4.57 3.49 4.81 -1.25 -4.94 118.16 116.29 2jtf n LYS 35 Ca 0.08 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.27 2jtf n LYS 35 Cb 0.37 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.29 2jtf n LYS 35 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2jtf s ILE 36 N -2.00 1.64 -0.14 3.15 1.01 -1.26 0.06 121.20 123.67 2jtf s ILE 36 Ca 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 60.65 59.40 2jtf s ILE 36 Cb 0.00 -1.44 0.04 0.00 0.01 0.00 0.00 42.46 41.06 2jtf s ILE 36 CO 0.00 0.15 -0.04 -0.62 0.00 0.00 0.00 174.94 174.43 2jtf s ASP 37 N -1.29 2.43 -0.15 3.58 -1.08 0.35 -4.96 116.67 115.55 2jtf s ASP 37 Ca 0.07 -0.47 0.18 0.00 -0.52 0.00 0.00 52.55 51.80 2jtf s ASP 37 Cb -0.09 -0.76 -0.25 0.00 -1.46 0.00 0.00 42.92 40.36 2jtf s ASP 37 CO 0.02 -0.18 0.24 -1.22 0.52 0.00 0.00 175.17 174.54 2jtf n TYR 38 N 4.97 0.18 0.19 -5.34 4.02 -1.26 -0.31 117.16 119.61 2jtf n TYR 38 Ca -0.11 0.06 -0.15 0.00 -0.01 0.00 0.00 57.90 57.70 2jtf n TYR 38 Cb 0.49 -0.97 -0.08 0.00 -0.02 0.00 0.00 39.34 38.75 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 -0.41 0.22 -0.72 3.07 -1.95 -2.81 114.58 111.98 2jtf h GLU 39 Ca -0.43 0.03 -0.33 0.00 -0.50 0.00 0.00 59.36 58.13 2jtf h GLU 39 Cb 2.04 0.09 0.03 0.00 -0.84 0.00 0.00 28.75 30.08 2jtf h GLU 39 CO 0.03 -0.25 -1.42 1.49 -1.40 0.00 0.00 179.01 177.47 2jtf h GLU 40 N -0.46 0.54 -1.58 2.33 4.57 -2.01 -3.48 114.58 114.48 2jtf h GLU 40 Ca -0.04 -0.88 0.00 0.00 -1.18 0.00 0.00 59.36 57.26 2jtf h GLU 40 Cb 0.35 0.32 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 2jtf h GLU 40 CO 0.07 1.41 0.00 0.41 -1.18 0.00 0.00 179.01 179.73 2jtf n GLY 41 N 1.63 0.73 3.26 1.92 0.00 -0.88 -4.99 105.19 106.86 2jtf n GLY 41 Ca -0.16 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 2jtf n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jtf s LYS 42 N -2.53 0.84 0.22 1.61 -2.85 0.57 -2.33 119.74 115.28 2jtf s LYS 42 Ca 0.00 -0.53 0.07 0.00 -1.00 0.00 0.00 55.97 54.52 2jtf s LYS 42 Cb 0.00 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 36.09 2jtf s LYS 42 CO 0.00 -0.28 -0.12 0.00 0.10 0.00 0.00 175.35 175.05 2jtf s MET 43 N -2.70 1.39 -0.98 1.78 0.23 0.23 -0.49 119.30 118.76 2jtf s MET 43 Ca -0.04 -1.64 -0.21 0.00 -1.03 0.00 0.00 55.69 52.77 2jtf s MET 43 Cb -0.00 -1.12 0.08 0.00 -1.53 0.00 0.00 34.83 32.26 2jtf s MET 43 CO -0.04 0.14 1.31 -1.17 -2.03 0.00 0.00 175.02 173.23 2jtf s LEU 44 N -3.35 4.16 -0.44 0.18 0.20 0.11 -1.49 118.68 118.05 2jtf s LEU 44 Ca 0.24 -1.69 -0.26 0.00 0.69 0.00 0.00 54.13 53.12 2jtf s LEU 44 Cb 0.00 -2.50 0.02 0.00 -0.43 0.00 0.00 46.19 43.29 2jtf s LEU 44 CO 0.08 -1.32 0.93 0.54 -0.29 0.00 0.00 176.35 176.28 2jtf s VAL 45 N 4.01 4.50 -0.88 1.68 0.11 0.13 -0.10 120.40 129.85 2jtf s VAL 45 Ca 0.40 0.86 -0.22 0.00 -2.93 0.00 0.00 61.98 60.09 2jtf s VAL 45 Cb -0.02 -4.41 0.08 0.00 -1.53 0.00 0.00 36.38 30.50 2jtf s VAL 45 CO -0.10 -0.76 1.21 -2.28 -3.33 0.00 0.00 175.10 169.84 2jtf s HIS 46 N 3.69 2.77 0.97 1.54 2.46 0.19 -0.43 115.29 126.48 2jtf s HIS 46 Ca 0.37 -0.92 -0.11 0.00 0.47 0.00 0.00 55.06 54.87 2jtf s HIS 46 Cb -0.11 -4.44 0.17 0.00 -0.13 0.00 0.00 32.58 28.07 2jtf s HIS 46 CO 0.24 -1.72 1.10 -0.06 -2.47 0.00 0.00 174.74 171.84 2jtf s PHE 47 N 3.96 1.70 -0.87 3.88 0.40 -1.23 -0.77 117.98 125.06 2jtf s PHE 47 Ca 0.35 1.56 -0.07 0.00 -0.60 0.00 0.00 56.93 58.17 2jtf s PHE 47 Cb -0.06 -3.23 -0.09 0.00 0.51 0.00 0.00 43.02 40.14 2jtf s PHE 47 CO -0.03 -2.97 3.07 -1.91 0.70 0.00 0.00 175.22 174.08 2jtf n GLU 48 N -4.32 3.10 -2.46 0.44 2.13 -1.26 -4.52 120.64 113.74 2jtf n GLU 48 Ca 0.09 -2.03 -0.02 0.00 0.66 0.00 0.00 57.16 55.86 2jtf n GLU 48 Cb 0.53 -2.41 -0.02 0.00 0.27 0.00 0.00 31.44 29.81 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 2.53 -5.03 -3.86 5.31 0.63 -1.26 -4.99 116.66 109.98 2jtf n ARG 49 Ca 0.60 3.69 -0.30 0.00 -0.92 0.00 0.00 57.85 60.91 2jtf n ARG 49 Cb 0.51 -4.90 -0.12 0.00 0.45 0.00 0.00 32.46 28.41 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 -0.63 3.50 0.00 -0.14 1.48 0.75 -4.98 118.94 118.92 2jtf s TRP 50 Ca -0.11 -3.20 0.00 0.00 -1.06 0.00 0.00 56.10 51.72 2jtf s TRP 50 Cb 0.01 -2.86 0.00 0.00 -1.16 0.00 0.00 33.47 29.46 2jtf s TRP 50 CO 0.31 -0.65 0.00 0.45 -4.06 0.00 0.00 176.95 173.00 2jtf n SER 51 N 2.46 0.00 -0.02 -2.66 2.88 -1.26 -2.66 113.62 112.36 2jtf n SER 51 Ca 0.15 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.54 2jtf n SER 51 Cb 0.35 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.67 2jtf n SER 51 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2jtf n HIS 52 N 0.00 1.03 -3.68 0.66 -0.00 -1.26 -4.86 115.22 107.11 2jtf n HIS 52 Ca 0.00 0.29 -0.36 0.00 -0.00 0.00 0.00 57.72 57.65 2jtf n HIS 52 Cb 0.00 -1.16 -0.07 0.00 -0.00 0.00 0.00 29.99 28.76 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 -2.57 3.99 0.00 1.57 1.81 -1.09 -4.92 118.95 117.74 2jtf s ARG 53 Ca -0.14 -0.02 0.06 0.00 -1.72 0.00 0.00 55.73 53.91 2jtf s ARG 53 Cb 0.07 -3.34 0.07 0.00 -0.45 0.00 0.00 34.95 31.30 2jtf s ARG 53 CO 0.79 0.44 0.76 2.48 -0.68 0.00 0.00 175.30 179.09 2jtf n TYR 54 N 2.97 0.04 -3.55 -0.53 0.18 -1.26 -0.18 117.16 114.82 2jtf n TYR 54 Ca -0.15 -0.09 -0.11 0.00 1.88 0.00 0.00 57.90 59.43 2jtf n TYR 54 Cb 0.53 -0.01 -0.03 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 -0.57 -0.37 -0.08 9.48 -4.77 -1.26 -3.48 116.67 115.61 2jtf s ASP 55 Ca 0.08 -0.20 -0.30 0.00 -3.30 0.00 0.00 52.55 48.83 2jtf s ASP 55 Cb 0.05 0.53 0.10 0.00 -1.09 0.00 0.00 42.92 42.51 2jtf s ASP 55 CO 0.07 -0.92 0.85 -0.70 0.70 0.00 0.00 175.17 175.18 2jtf s GLU 56 N -3.79 0.82 -0.34 2.11 2.56 0.43 -4.84 118.70 115.65 2jtf s GLU 56 Ca 0.03 0.09 -0.15 0.00 0.00 0.00 0.00 54.97 54.94 2jtf s GLU 56 Cb 0.00 0.39 -0.01 0.00 2.00 0.00 0.00 34.13 36.51 2jtf s GLU 56 CO -0.12 -0.28 0.35 -1.58 -0.56 0.00 0.00 175.26 173.08 2jtf s TRP 57 N -1.55 3.21 0.01 5.30 0.52 -1.26 0.22 118.94 125.39 2jtf s TRP 57 Ca -0.04 -0.05 0.00 0.00 0.02 0.00 0.00 56.10 56.03 2jtf s TRP 57 Cb -0.00 -2.66 -0.01 0.00 -1.15 0.00 0.00 33.47 29.65 2jtf s TRP 57 CO 0.02 -0.43 -0.03 0.42 0.02 0.00 0.00 176.95 176.95 2jtf s ILE 58 N 1.99 0.14 0.89 2.03 1.01 -0.55 -4.94 121.20 121.76 2jtf s ILE 58 Ca 0.11 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 2jtf s ILE 58 Cb -0.17 -0.23 0.13 0.00 0.01 0.00 0.00 42.46 42.20 2jtf s ILE 58 CO 0.12 -0.30 1.09 -0.31 0.00 0.00 0.00 174.94 175.53 2jtf s TYR 59 N -0.94 2.23 0.27 3.97 2.02 -1.26 -0.60 117.35 123.04 2jtf s TYR 59 Ca -0.10 1.38 -0.04 0.00 -0.37 0.00 0.00 57.07 57.94 2jtf s TYR 59 Cb -0.07 -3.15 0.55 0.00 -0.40 0.00 0.00 41.96 38.90 2jtf s TYR 59 CO -0.01 -2.42 1.60 -1.49 -1.57 0.00 0.00 175.55 171.67 2jtf h TRP 60 N -1.57 -0.12 -1.65 2.71 -0.00 -1.82 -3.15 115.95 110.34 2jtf h TRP 60 Ca -0.48 0.07 -0.34 0.00 -0.00 0.00 0.00 58.89 58.13 2jtf h TRP 60 Cb 1.27 0.19 -0.27 0.00 -0.00 0.00 0.00 29.16 30.36 2jtf h TRP 60 CO 0.46 -0.34 -0.70 0.16 -0.00 0.00 0.00 178.44 178.02 2jtf s ASP 61 N -5.14 0.01 0.11 -3.49 -4.77 -1.26 -3.92 116.67 98.21 2jtf s ASP 61 Ca -0.13 -2.14 -0.02 0.00 -3.30 0.00 0.00 52.55 46.96 2jtf s ASP 61 Cb 0.25 0.84 -0.19 0.00 -1.09 0.00 0.00 42.92 42.74 2jtf s ASP 61 CO 0.77 -0.13 1.23 -1.28 0.70 0.00 0.00 175.17 176.46 2jtf h SER 62 N 5.68 0.35 0.00 2.11 0.87 -1.81 -3.47 113.55 117.28 2jtf h SER 62 Ca 0.13 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2jtf h SER 62 Cb 1.03 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2jtf h SER 62 CO 0.18 1.22 0.00 -0.46 -0.53 0.00 0.00 176.83 177.23 2jtf n ASN 63 N -3.57 0.00 -1.13 6.23 0.23 -1.26 -4.98 115.26 110.78 2jtf n ASN 63 Ca -0.06 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.03 2jtf n ASN 63 Cb 0.94 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.70 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 0.00 0.36 -5.24 -3.83 0.00 -1.26 -4.98 116.66 101.71 2jtf n ARG 64 Ca 0.00 -2.14 -0.30 0.00 -0.00 0.00 0.00 57.85 55.41 2jtf n ARG 64 Cb 0.00 -0.44 -0.16 0.00 -0.00 0.00 0.00 32.46 31.86 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 -0.74 2.05 -0.05 2.89 2.01 -1.26 0.57 118.68 124.15 2jtf s LEU 65 Ca 0.30 -0.45 -0.02 0.00 0.01 0.00 0.00 54.13 53.97 2jtf s LEU 65 Cb 0.33 -1.28 0.04 0.00 0.01 0.00 0.00 46.19 45.28 2jtf s LEU 65 CO -0.12 0.30 0.09 -0.60 1.01 0.00 0.00 176.35 177.03 2jtf s ARG 66 N -0.55 -0.01 0.70 1.70 3.52 0.14 -4.37 118.95 120.09 2jtf s ARG 66 Ca 0.09 0.36 -0.12 0.00 -0.13 0.00 0.00 55.73 55.92 2jtf s ARG 66 Cb -0.10 -0.32 0.17 0.00 -1.56 0.00 0.00 34.95 33.15 2jtf s ARG 66 CO -0.01 -0.24 0.68 -2.30 -0.81 0.00 0.00 175.30 172.62 2jtf n PRO 67 N 4.74 -1.97 -2.68 5.12 -0.02 -1.26 -1.79 135.00 137.14 2jtf n PRO 67 Ca -0.16 -1.08 -0.42 0.00 -2.02 0.00 0.00 63.50 59.82 2jtf n PRO 67 Cb 0.50 -0.94 -0.03 0.00 -0.02 0.00 0.00 33.50 33.01 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 4.04 -1.44 2.45 0.20 -1.25 -4.23 118.68 118.45 2jtf s LEU 68 Ca 0.43 -1.73 -0.03 0.00 0.69 0.00 0.00 54.13 53.49 2jtf s LEU 68 Cb -0.04 -2.51 0.03 0.00 -0.43 0.00 0.00 46.19 43.25 2jtf s LEU 68 CO 0.32 -1.33 0.09 -1.84 -0.29 0.00 0.00 176.35 173.29 2jtf n GLU 69 N 8.05 -0.91 0.00 1.98 0.28 -1.26 -4.95 120.64 123.84 2jtf n GLU 69 Ca 0.31 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 2jtf n GLU 69 Cb 0.50 -3.38 0.00 0.00 1.43 0.00 0.00 31.44 29.99 2jtf n GLU 69 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84