#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 3.53 0.69 -3.83 1.70 -1.26 -5.09 118.95 114.69 2jtf s ARG 8 Ca 0.00 -0.11 -0.11 0.00 -0.47 0.00 0.00 55.73 55.03 2jtf s ARG 8 Cb 0.00 -3.12 0.00 0.00 -0.57 0.00 0.00 34.95 31.26 2jtf s ARG 8 CO 0.00 0.70 1.06 -1.25 -1.08 0.00 0.00 175.30 174.72 2jtf s PRO 9 N -1.54 2.98 0.00 3.89 0.04 -1.26 -4.96 135.00 134.14 2jtf s PRO 9 Ca 0.24 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2jtf s PRO 9 Cb -0.13 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2jtf s PRO 9 CO 0.13 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.51 2jtf n GLY 10 N -1.93 3.43 3.41 0.56 0.00 -1.26 -4.66 105.19 104.74 2jtf n GLY 10 Ca 0.08 -0.52 -0.50 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.94 0.06 1.13 -0.61 5.41 -0.91 -4.10 119.36 119.40 2jtf n ILE 11 Ca 0.00 -0.17 0.12 0.00 1.00 0.00 0.00 62.75 63.70 2jtf n ILE 11 Cb 0.00 -1.15 0.34 0.00 -0.71 0.00 0.00 39.64 38.12 2jtf n ILE 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2jtf n THR 12 N 7.13 0.14 -1.48 1.39 -1.04 -1.21 -2.64 114.28 116.56 2jtf n THR 12 Ca 0.51 -0.41 -0.17 0.00 -2.04 0.00 0.00 64.05 61.94 2jtf n THR 12 Cb 0.13 0.76 -0.07 0.00 -1.82 0.00 0.00 70.33 69.33 2jtf n THR 12 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2jtf n PHE 13 N 0.68 0.00 -5.13 -1.42 3.72 -1.26 -4.97 117.46 109.08 2jtf n PHE 13 Ca 0.17 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.28 2jtf n PHE 13 Cb 0.44 -2.95 -0.16 0.00 -0.94 0.00 0.00 39.48 35.87 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 -3.39 2.19 -0.03 -1.08 0.41 -1.26 -5.09 118.70 110.45 2jtf s GLU 14 Ca 0.00 -0.81 -0.30 0.00 -0.41 0.00 0.00 54.97 53.45 2jtf s GLU 14 Cb 0.00 -1.92 -0.06 0.00 -1.78 0.00 0.00 34.13 30.37 2jtf s GLU 14 CO 0.00 0.37 1.61 0.42 -0.49 0.00 0.00 175.26 177.17 2jtf s ILE 15 N -0.20 3.52 0.00 -1.63 1.01 -1.26 -1.29 121.20 121.35 2jtf s ILE 15 Ca -0.01 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.39 2jtf s ILE 15 Cb -0.12 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.87 2jtf s ILE 15 CO 0.02 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.53 2jtf n GLY 16 N 4.02 0.44 3.94 6.18 0.00 -0.40 -5.04 105.19 114.33 2jtf n GLY 16 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 3.61 0.38 4.61 0.00 -0.41 -4.83 121.76 123.11 2jtf s ALA 17 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.01 2jtf s ALA 17 Cb 0.00 -2.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 2jtf s ALA 17 CO 0.00 -0.61 0.55 1.03 0.00 0.00 0.00 175.76 176.73 2jtf s ARG 18 N -4.75 3.15 0.31 0.00 0.52 -1.26 -0.28 118.95 116.64 2jtf s ARG 18 Ca 0.52 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 55.02 2jtf s ARG 18 Cb -0.10 -2.71 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 2jtf s ARG 18 CO 0.41 -0.04 0.34 -0.48 0.02 0.00 0.00 175.30 175.55 2jtf s LEU 19 N -4.33 1.32 -0.17 2.53 0.05 0.12 -3.32 118.68 114.89 2jtf s LEU 19 Ca 0.45 -1.57 -0.07 0.00 0.05 0.00 0.00 54.13 52.99 2jtf s LEU 19 Cb -0.10 0.93 -0.04 0.00 -2.05 0.00 0.00 46.19 44.94 2jtf s LEU 19 CO 0.34 -1.13 0.07 -1.61 -0.55 0.00 0.00 176.35 173.48 2jtf s GLU 20 N -3.42 3.87 -0.05 1.48 2.02 -0.75 -0.49 118.70 121.35 2jtf s GLU 20 Ca 0.36 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 55.05 2jtf s GLU 20 Cb 0.02 -3.20 0.02 0.00 0.10 0.00 0.00 34.13 31.07 2jtf s GLU 20 CO 0.22 0.36 -0.07 0.00 0.02 0.00 0.00 175.26 175.79 2jtf s ALA 21 N 0.12 0.89 -1.12 5.21 0.00 -0.53 0.14 121.76 126.48 2jtf s ALA 21 Ca 0.06 -0.19 -0.18 0.00 0.00 0.00 0.00 51.96 51.64 2jtf s ALA 21 Cb -0.12 -0.50 0.11 0.00 0.00 0.00 0.00 23.12 22.61 2jtf s ALA 21 CO 0.00 -0.01 1.43 -1.17 0.00 0.00 0.00 175.76 176.02 2jtf s LEU 22 N 0.91 4.41 0.85 0.00 0.20 0.17 -1.23 118.68 123.99 2jtf s LEU 22 Ca -0.11 -2.27 -0.12 0.00 0.69 0.00 0.00 54.13 52.32 2jtf s LEU 22 Cb -0.15 -2.48 0.10 0.00 -0.43 0.00 0.00 46.19 43.24 2jtf s LEU 22 CO 0.01 -1.10 1.14 1.51 -0.29 0.00 0.00 176.35 177.62 2jtf s ASP 23 N 3.86 4.05 0.61 3.68 -4.77 0.06 -4.68 116.67 119.48 2jtf s ASP 23 Ca 0.44 0.95 0.27 0.00 -3.30 0.00 0.00 52.55 50.91 2jtf s ASP 23 Cb -0.01 -1.53 1.24 0.00 -1.09 0.00 0.00 42.92 41.53 2jtf s ASP 23 CO -0.03 -2.21 1.65 0.22 0.70 0.00 0.00 175.17 175.51 2jtf h TYR 24 N -1.26 0.00 -0.00 2.11 3.20 -1.95 1.19 116.97 120.26 2jtf h TYR 24 Ca -0.48 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.39 2jtf h TYR 24 Cb 1.32 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.59 2jtf h TYR 24 CO 0.33 0.00 -0.01 1.28 -1.64 0.00 0.00 178.16 178.12 2jtf n LEU 25 N -3.41 0.09 -2.03 2.82 7.99 -1.26 -4.87 117.00 116.33 2jtf n LEU 25 Ca 0.12 0.12 -0.06 0.00 -0.01 0.00 0.00 56.01 56.18 2jtf n LEU 25 Cb 0.95 -0.15 0.03 0.00 -0.11 0.00 0.00 43.42 44.14 2jtf n LEU 25 CO 0.23 0.02 0.02 0.00 -1.51 0.00 0.00 177.39 176.15 2jtf n GLN 26 N -1.09 -1.39 -4.16 3.23 3.00 0.41 -5.06 117.38 112.32 2jtf n GLN 26 Ca 0.18 0.31 -0.19 0.00 -0.01 0.00 0.00 57.00 57.29 2jtf n GLN 26 Cb 0.19 -3.29 -0.16 0.00 0.00 0.00 0.00 30.24 26.98 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 -3.86 0.75 -0.96 -1.09 1.02 -0.89 -4.91 119.74 109.80 2jtf s LYS 27 Ca 0.10 -0.10 -0.19 0.00 0.02 0.00 0.00 55.97 55.80 2jtf s LYS 27 Cb -0.01 -0.77 0.12 0.00 -0.52 0.00 0.00 37.83 36.65 2jtf s LYS 27 CO 0.26 -0.06 1.20 -1.58 -0.92 0.00 0.00 175.35 174.25 2jtf s TRP 28 N 0.81 3.02 0.14 3.18 0.52 -1.25 -0.76 118.94 124.61 2jtf s TRP 28 Ca -0.11 -1.32 0.09 0.00 0.02 0.00 0.00 56.10 54.79 2jtf s TRP 28 Cb -0.14 -4.36 -0.04 0.00 -1.15 0.00 0.00 33.47 27.78 2jtf s TRP 28 CO 0.00 -1.57 -0.14 1.52 0.02 0.00 0.00 176.95 176.78 2jtf s TYR 29 N 3.07 2.59 -0.31 -1.98 -0.85 -0.37 -4.84 117.35 114.67 2jtf s TYR 29 Ca 0.36 -0.24 -0.28 0.00 -0.52 0.00 0.00 57.07 56.39 2jtf s TYR 29 Cb -0.04 -1.32 -0.04 0.00 0.38 0.00 0.00 41.96 40.94 2jtf s TYR 29 CO -0.09 0.45 2.07 -2.14 -1.52 0.00 0.00 175.55 174.32 2jtf s PRO 30 N -2.44 3.07 0.43 -3.49 0.02 -1.26 -1.46 135.00 129.87 2jtf s PRO 30 Ca 0.21 1.68 0.08 0.00 0.02 0.00 0.00 61.00 62.99 2jtf s PRO 30 Cb -0.10 -4.33 -0.00 0.00 0.02 0.00 0.00 34.50 30.09 2jtf s PRO 30 CO 0.13 -2.17 0.47 -1.12 -0.33 0.00 0.00 177.00 173.97 2jtf s SER 31 N 7.91 5.27 0.22 2.53 0.01 0.36 -4.89 113.70 125.11 2jtf s SER 31 Ca 0.91 -0.64 0.09 0.00 1.31 0.00 0.00 55.95 57.62 2jtf s SER 31 Cb -0.27 -0.53 -0.04 0.00 0.21 0.00 0.00 66.02 65.39 2jtf s SER 31 CO 0.33 -0.74 -0.06 -0.13 0.41 0.00 0.00 173.24 173.05 2jtf s ARG 32 N -4.24 2.15 -0.28 12.44 3.00 -0.40 0.16 118.95 131.78 2jtf s ARG 32 Ca 0.51 -1.35 -0.14 0.00 0.00 0.00 0.00 55.73 54.75 2jtf s ARG 32 Cb -0.06 -2.15 -0.04 0.00 0.00 0.00 0.00 34.95 32.71 2jtf s ARG 32 CO 0.30 0.40 0.35 0.42 0.00 0.00 0.00 175.30 176.77 2jtf s ILE 33 N -1.99 5.19 -0.25 1.52 1.01 0.62 -0.60 121.20 126.70 2jtf s ILE 33 Ca 0.28 0.45 -0.17 0.00 0.00 0.00 0.00 60.65 61.21 2jtf s ILE 33 Cb -0.08 -3.69 -0.14 0.00 0.01 0.00 0.00 42.46 38.56 2jtf s ILE 33 CO 0.17 0.14 -0.15 1.21 0.00 0.00 0.00 174.94 176.31 2jtf n GLU 34 N 5.30 0.57 -4.15 2.79 4.07 0.11 -1.28 120.64 128.06 2jtf n GLU 34 Ca -0.09 0.38 -0.10 0.00 -0.06 0.00 0.00 57.16 57.29 2jtf n GLU 34 Cb 0.51 -1.58 -0.10 0.00 -0.06 0.00 0.00 31.44 30.20 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 -2.47 0.84 0.01 5.31 1.02 -1.24 -4.75 119.74 118.47 2jtf s LYS 35 Ca -0.34 -1.37 0.01 0.00 0.02 0.00 0.00 55.97 54.29 2jtf s LYS 35 Cb 0.11 0.03 -0.01 0.00 -0.52 0.00 0.00 37.83 37.45 2jtf s LYS 35 CO 0.52 -0.13 -0.04 0.42 -0.92 0.00 0.00 175.35 175.20 2jtf s ILE 36 N -3.84 0.25 -0.23 2.17 1.01 -1.26 0.18 121.20 119.48 2jtf s ILE 36 Ca 0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 2jtf s ILE 36 Cb 0.07 -0.26 0.07 0.00 0.01 0.00 0.00 42.46 42.35 2jtf s ILE 36 CO -0.03 -0.09 0.07 -0.62 0.00 0.00 0.00 174.94 174.27 2jtf s ASP 37 N -0.50 3.14 0.23 3.58 2.15 0.32 -4.96 116.67 120.63 2jtf s ASP 37 Ca -0.03 -1.02 0.21 0.00 0.43 0.00 0.00 52.55 52.14 2jtf s ASP 37 Cb -0.04 -0.55 0.05 0.00 -0.30 0.00 0.00 42.92 42.09 2jtf s ASP 37 CO -0.00 -0.36 1.16 1.88 -0.17 0.00 0.00 175.17 177.69 2jtf h TYR 38 N 8.27 0.00 0.27 -5.34 -1.99 -1.93 0.68 116.97 116.93 2jtf h TYR 38 Ca -0.16 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.56 2jtf h TYR 38 Cb 1.09 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.81 2jtf h TYR 38 CO 0.28 0.16 -0.16 1.49 -0.00 0.00 0.00 178.16 179.92 2jtf h GLU 39 N 0.00 -0.40 0.07 4.88 4.81 -1.93 -2.77 114.58 119.24 2jtf h GLU 39 Ca -0.03 0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 58.94 2jtf h GLU 39 Cb 1.15 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 2jtf h GLU 39 CO 0.02 -0.27 -1.45 1.49 -0.73 0.00 0.00 179.01 178.07 2jtf h GLU 40 N -0.42 0.14 -1.23 1.92 4.81 -2.01 -3.48 114.58 114.32 2jtf h GLU 40 Ca -0.03 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2jtf h GLU 40 Cb 0.35 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2jtf h GLU 40 CO 0.03 0.97 0.00 0.41 -0.73 0.00 0.00 179.01 179.68 2jtf n GLY 41 N 1.58 0.67 3.43 1.92 0.00 0.36 -5.03 105.19 108.13 2jtf n GLY 41 Ca -0.13 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.95 1.62 0.05 1.61 1.02 0.21 -2.91 119.74 119.39 2jtf s LYS 42 Ca 0.00 -1.90 -0.09 0.00 0.02 0.00 0.00 55.97 54.01 2jtf s LYS 42 Cb 0.00 -0.77 -0.00 0.00 -0.52 0.00 0.00 37.83 36.54 2jtf s LYS 42 CO 0.00 -0.21 0.18 0.00 -0.92 0.00 0.00 175.35 174.40 2jtf s MET 43 N -3.91 0.73 -0.65 1.68 0.23 0.26 -0.52 119.30 117.12 2jtf s MET 43 Ca 0.37 -0.76 -0.23 0.00 -1.03 0.00 0.00 55.69 54.04 2jtf s MET 43 Cb 0.09 0.30 0.07 0.00 -1.53 0.00 0.00 34.83 33.75 2jtf s MET 43 CO 0.15 -0.21 0.96 -1.17 -2.03 0.00 0.00 175.02 172.72 2jtf s LEU 44 N -2.35 4.38 -0.40 0.18 0.20 0.13 -1.16 118.68 119.66 2jtf s LEU 44 Ca -0.02 -0.96 -0.24 0.00 0.69 0.00 0.00 54.13 53.61 2jtf s LEU 44 Cb 0.01 -2.44 0.02 0.00 -0.43 0.00 0.00 46.19 43.35 2jtf s LEU 44 CO -0.06 -1.42 0.81 0.54 -0.29 0.00 0.00 176.35 175.92 2jtf s VAL 45 N 4.03 4.68 -0.52 1.68 0.11 0.13 0.07 120.40 130.59 2jtf s VAL 45 Ca 0.22 0.77 -0.18 0.00 -2.93 0.00 0.00 61.98 59.87 2jtf s VAL 45 Cb -0.17 -4.27 0.08 0.00 -1.53 0.00 0.00 36.38 30.50 2jtf s VAL 45 CO 0.11 -0.55 0.57 -1.38 -3.33 0.00 0.00 175.10 170.51 2jtf s HIS 46 N 3.24 3.11 0.12 1.54 -3.43 0.23 -1.52 115.29 118.58 2jtf s HIS 46 Ca 0.32 -0.83 -0.15 0.00 -0.80 0.00 0.00 55.06 53.60 2jtf s HIS 46 Cb -0.12 -3.58 -0.04 0.00 -1.43 0.00 0.00 32.58 27.40 2jtf s HIS 46 CO 0.19 -1.03 1.51 0.74 -2.00 0.00 0.00 174.74 174.16 2jtf h PHE 47 N 8.96 0.81 0.00 0.38 -1.00 -1.89 -1.05 116.94 123.15 2jtf h PHE 47 Ca -0.28 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 60.31 2jtf h PHE 47 Cb 1.10 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.46 2jtf h PHE 47 CO 0.74 0.87 0.00 0.39 -1.61 0.00 0.00 178.31 178.70 2jtf n GLU 48 N -4.37 0.00 0.23 1.51 1.02 -1.26 -4.59 120.64 113.19 2jtf n GLU 48 Ca -0.02 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 2jtf n GLU 48 Cb 0.36 -1.56 0.51 0.00 -0.02 0.00 0.00 31.44 30.73 2jtf n GLU 48 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2jtf h ARG 49 N 0.09 0.00 -5.70 3.49 9.65 -1.97 -3.44 114.38 116.51 2jtf h ARG 49 Ca 0.00 0.00 -0.51 0.00 -1.10 0.00 0.00 59.98 58.37 2jtf h ARG 49 Cb 0.00 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 28.44 2jtf h ARG 49 CO 0.00 0.18 -0.72 1.67 2.80 0.00 0.00 179.97 183.91 2jtf s TRP 50 N -3.69 1.95 0.00 2.20 -2.14 -1.26 -5.02 118.94 110.97 2jtf s TRP 50 Ca 0.00 -0.56 0.03 0.00 2.66 0.00 0.00 56.10 58.23 2jtf s TRP 50 Cb 0.10 -0.97 0.04 0.00 -3.10 0.00 0.00 33.47 29.54 2jtf s TRP 50 CO 0.62 0.42 0.98 -1.13 -2.66 0.00 0.00 176.95 175.18 2jtf n SER 51 N -0.52 0.09 0.27 -2.66 3.41 -1.26 -4.85 113.62 108.10 2jtf n SER 51 Ca -0.06 -1.92 -0.12 0.00 -0.26 0.00 0.00 58.87 56.51 2jtf n SER 51 Cb 0.61 -0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 2jtf n SER 51 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2jtf h HIS 52 N 0.10 -0.77 -2.76 7.33 6.17 -2.00 -3.37 115.15 119.86 2jtf h HIS 52 Ca -0.03 -0.01 -0.61 0.00 0.71 0.00 0.00 60.37 60.44 2jtf h HIS 52 Cb 1.42 0.27 -0.40 0.00 2.52 0.00 0.00 27.41 31.22 2jtf h HIS 52 CO 0.07 -0.44 -0.77 -0.98 0.71 0.00 0.00 177.93 176.53 2jtf s ARG 53 N -4.71 1.63 2.34 5.26 1.70 -1.26 -5.09 118.95 118.82 2jtf s ARG 53 Ca -0.11 -2.64 0.00 0.00 -0.47 0.00 0.00 55.73 52.51 2jtf s ARG 53 Cb 0.02 -2.41 0.00 0.00 -0.57 0.00 0.00 34.95 31.99 2jtf s ARG 53 CO 0.35 -1.31 0.00 0.66 -1.08 0.00 0.00 175.30 173.91 2jtf n TYR 54 N 2.55 -0.63 -3.47 5.89 4.02 -1.26 -4.62 117.16 119.65 2jtf n TYR 54 Ca 0.23 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.93 2jtf n TYR 54 Cb 0.40 0.14 -0.00 0.00 -0.02 0.00 0.00 39.34 39.86 2jtf n TYR 54 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2jtf s ASP 55 N -4.00 5.96 -0.00 7.72 1.01 -1.26 -4.64 116.67 121.45 2jtf s ASP 55 Ca 0.00 -0.20 0.04 0.00 0.71 0.00 0.00 52.55 53.10 2jtf s ASP 55 Cb 0.00 -1.22 -0.01 0.00 1.01 0.00 0.00 42.92 42.70 2jtf s ASP 55 CO 0.00 -0.43 -0.13 -0.70 0.21 0.00 0.00 175.17 174.12 2jtf s GLU 56 N -4.17 1.02 -0.21 8.23 2.12 -0.57 -4.95 118.70 120.16 2jtf s GLU 56 Ca 0.45 -0.51 -0.22 0.00 0.36 0.00 0.00 54.97 55.05 2jtf s GLU 56 Cb -0.09 -0.99 -0.02 0.00 0.26 0.00 0.00 34.13 33.28 2jtf s GLU 56 CO 0.31 0.27 0.67 -1.58 -0.54 0.00 0.00 175.26 174.39 2jtf s TRP 57 N -0.40 3.35 0.15 5.30 0.52 -1.26 0.22 118.94 126.82 2jtf s TRP 57 Ca 0.04 0.96 -0.00 0.00 0.02 0.00 0.00 56.10 57.12 2jtf s TRP 57 Cb -0.05 -2.86 -0.04 0.00 -1.15 0.00 0.00 33.47 29.36 2jtf s TRP 57 CO -0.00 -0.24 0.05 0.42 0.02 0.00 0.00 176.95 177.20 2jtf s ILE 58 N 2.17 0.26 0.55 2.03 1.01 -0.31 -4.91 121.20 122.00 2jtf s ILE 58 Ca 0.30 -1.93 -0.09 0.00 0.00 0.00 0.00 60.65 58.92 2jtf s ILE 58 Cb -0.16 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 2jtf s ILE 58 CO 0.10 -0.43 0.92 -0.31 0.00 0.00 0.00 174.94 175.21 2jtf s TYR 59 N -3.95 3.59 0.21 3.97 1.51 -1.26 -0.57 117.35 120.85 2jtf s TYR 59 Ca 0.25 1.10 -0.19 0.00 -1.01 0.00 0.00 57.07 57.22 2jtf s TYR 59 Cb 0.07 -2.55 0.19 0.00 -0.11 0.00 0.00 41.96 39.56 2jtf s TYR 59 CO 0.03 -0.48 1.57 -1.49 -1.11 0.00 0.00 175.55 174.07 2jtf h TRP 60 N 0.04 -1.00 -1.83 2.71 4.06 -1.88 -3.17 115.95 114.89 2jtf h TRP 60 Ca -0.45 0.09 -0.45 0.00 2.06 0.00 0.00 58.89 60.13 2jtf h TRP 60 Cb 1.20 0.56 -0.31 0.00 -1.00 0.00 0.00 29.16 29.60 2jtf h TRP 60 CO 0.63 -0.39 -0.84 -0.40 -3.56 0.00 0.00 178.44 173.87 2jtf n ASP 61 N -5.46 -1.31 0.00 -3.49 5.75 -1.26 -3.16 116.55 107.63 2jtf n ASP 61 Ca 0.07 -2.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.25 2jtf n ASP 61 Cb 0.38 0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 2jtf n ASP 61 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2jtf n SER 62 N 2.61 0.00 -0.48 -1.12 3.41 -1.20 -4.91 113.62 111.93 2jtf n SER 62 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2jtf n SER 62 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2jtf n SER 62 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2jtf n ASN 63 N -0.85 0.00 0.00 4.04 0.23 -1.26 -4.91 115.26 112.51 2jtf n ASN 63 Ca 0.00 -1.54 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 2jtf n ASN 63 Cb 0.00 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.59 2jtf n ASN 63 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2jtf n ARG 64 N 0.00 0.00 -3.60 -3.83 0.63 -1.26 -4.90 116.66 103.70 2jtf n ARG 64 Ca 0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 2jtf n ARG 64 Cb 0.61 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.47 2jtf n ARG 64 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2jtf s LEU 65 N -0.51 4.31 -0.06 6.15 2.01 -1.26 0.47 118.68 129.78 2jtf s LEU 65 Ca 0.00 0.73 -0.01 0.00 0.01 0.00 0.00 54.13 54.87 2jtf s LEU 65 Cb 0.00 -3.11 0.03 0.00 0.01 0.00 0.00 46.19 43.11 2jtf s LEU 65 CO 0.00 0.12 -0.01 -0.60 1.01 0.00 0.00 176.35 176.87 2jtf s ARG 66 N -2.19 0.68 0.99 1.70 3.52 0.12 -3.99 118.95 119.78 2jtf s ARG 66 Ca 0.36 0.04 -0.14 0.00 -0.13 0.00 0.00 55.73 55.86 2jtf s ARG 66 Cb -0.13 -0.93 0.18 0.00 -1.56 0.00 0.00 34.95 32.52 2jtf s ARG 66 CO 0.20 -0.23 1.13 -2.14 -0.81 0.00 0.00 175.30 173.45 2jtf s PRO 67 N 1.62 0.46 1.01 5.12 0.02 -1.25 -1.81 135.00 140.17 2jtf s PRO 67 Ca -0.00 0.27 -0.15 0.00 0.02 0.00 0.00 61.00 61.13 2jtf s PRO 67 Cb -0.13 -1.76 0.20 0.00 0.02 0.00 0.00 34.50 32.83 2jtf s PRO 67 CO -0.04 -2.66 1.18 -1.17 -0.33 0.00 0.00 177.00 173.99 2jtf s LEU 68 N -6.33 1.82 0.00 -5.54 2.96 -1.08 -4.12 118.68 106.38 2jtf s LEU 68 Ca 0.66 0.68 0.07 0.00 -0.22 0.00 0.00 54.13 55.32 2jtf s LEU 68 Cb -0.15 -2.75 0.32 0.00 0.50 0.00 0.00 46.19 44.11 2jtf s LEU 68 CO 0.55 -3.06 1.13 -1.84 -1.32 0.00 0.00 176.35 171.81 2jtf n GLU 69 N -4.06 0.06 -0.97 1.98 0.28 -1.26 -4.87 120.64 111.79 2jtf n GLU 69 Ca 0.11 0.29 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 2jtf n GLU 69 Cb 0.59 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.96 2jtf n GLU 69 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84