#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 3.44 0.78 1.20 6.06 -1.26 -5.01 118.95 124.15 2jtf s ARG 8 Ca 0.00 -0.03 -0.12 0.00 -2.50 0.00 0.00 55.73 53.08 2jtf s ARG 8 Cb 0.00 -3.98 0.06 0.00 0.06 0.00 0.00 34.95 31.09 2jtf s ARG 8 CO 0.00 -1.32 1.12 -1.25 -2.50 0.00 0.00 175.30 171.35 2jtf s PRO 9 N 3.80 2.26 0.22 5.12 0.05 -1.25 -1.33 135.00 143.87 2jtf s PRO 9 Ca 0.34 0.38 0.00 0.00 0.05 0.00 0.00 61.00 61.77 2jtf s PRO 9 Cb -0.11 -1.96 0.00 0.00 0.05 0.00 0.00 34.50 32.48 2jtf s PRO 9 CO 0.23 -1.44 0.00 0.41 0.05 0.00 0.00 177.00 176.25 2jtf n GLY 10 N -2.83 -2.10 3.57 0.56 0.00 -0.31 -4.36 105.19 99.73 2jtf n GLY 10 Ca 0.07 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.34 3.93 -2.00 -0.61 1.01 -1.24 -3.19 121.20 116.76 2jtf s ILE 11 Ca 0.00 -1.41 0.05 0.00 0.00 0.00 0.00 60.65 59.29 2jtf s ILE 11 Cb 0.00 -4.98 0.13 0.00 0.01 0.00 0.00 42.46 37.62 2jtf s ILE 11 CO 0.00 -1.74 0.92 0.41 0.00 0.00 0.00 174.94 174.53 2jtf n THR 12 N 6.86 0.00 -1.17 2.92 -1.04 -1.26 -4.39 114.28 116.20 2jtf n THR 12 Ca 0.45 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.40 2jtf n THR 12 Cb 0.47 -0.24 -0.02 0.00 -1.82 0.00 0.00 70.33 68.71 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 -0.60 0.00 -5.06 -1.42 3.72 -1.26 -4.98 117.46 107.86 2jtf n PHE 13 Ca 0.03 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.11 2jtf n PHE 13 Cb 0.02 -1.65 -0.17 0.00 -0.94 0.00 0.00 39.48 36.74 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 -2.03 3.07 0.05 -1.08 2.02 -1.26 -5.08 118.70 114.39 2jtf s GLU 14 Ca 0.00 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 53.83 2jtf s GLU 14 Cb 0.00 -2.36 -0.09 0.00 0.10 0.00 0.00 34.13 31.78 2jtf s GLU 14 CO 0.00 0.14 1.94 0.42 0.02 0.00 0.00 175.26 177.78 2jtf s ILE 15 N 0.45 2.95 0.00 -1.63 1.01 -1.26 -1.29 121.20 121.43 2jtf s ILE 15 Ca -0.16 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.54 2jtf s ILE 15 Cb -0.17 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.27 2jtf s ILE 15 CO 0.06 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.61 2jtf n GLY 16 N 4.49 1.30 3.85 6.18 0.00 0.11 -4.99 105.19 116.13 2jtf n GLY 16 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.03 2.97 -0.81 4.61 0.00 -0.41 -4.78 121.76 121.31 2jtf s ALA 17 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.86 2jtf s ALA 17 Cb 0.00 -3.12 0.21 0.00 0.00 0.00 0.00 23.12 20.21 2jtf s ALA 17 CO 0.00 -0.73 0.75 1.03 0.00 0.00 0.00 175.76 176.81 2jtf s ARG 18 N -4.84 3.55 0.57 0.00 1.81 -0.44 -1.32 118.95 118.28 2jtf s ARG 18 Ca 0.57 -2.43 -0.09 0.00 -1.72 0.00 0.00 55.73 52.07 2jtf s ARG 18 Cb -0.12 -4.41 -0.04 0.00 -0.45 0.00 0.00 34.95 29.94 2jtf s ARG 18 CO 0.48 -1.29 0.93 -0.48 -0.68 0.00 0.00 175.30 174.27 2jtf s LEU 19 N 0.23 3.37 -0.40 2.53 2.34 0.54 -1.16 118.68 126.13 2jtf s LEU 19 Ca 0.17 1.20 -0.17 0.00 0.06 0.00 0.00 54.13 55.39 2jtf s LEU 19 Cb -0.11 -4.20 0.01 0.00 -0.56 0.00 0.00 46.19 41.33 2jtf s LEU 19 CO -0.08 -0.78 0.43 -1.61 -1.06 0.00 0.00 176.35 173.25 2jtf s GLU 20 N -5.01 3.21 -0.15 1.48 2.02 -0.65 -0.21 118.70 119.39 2jtf s GLU 20 Ca 0.52 -0.66 -0.02 0.00 0.02 0.00 0.00 54.97 54.82 2jtf s GLU 20 Cb -0.11 -3.93 -0.02 0.00 0.10 0.00 0.00 34.13 30.17 2jtf s GLU 20 CO 0.50 -0.79 -0.08 0.00 0.02 0.00 0.00 175.26 174.92 2jtf s ALA 21 N 2.14 2.84 0.07 5.21 0.00 -0.54 -0.05 121.76 131.43 2jtf s ALA 21 Ca 0.12 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 51.11 2jtf s ALA 21 Cb -0.17 -1.42 -0.06 0.00 0.00 0.00 0.00 23.12 21.47 2jtf s ALA 21 CO 0.13 0.22 0.44 -1.17 0.00 0.00 0.00 175.76 175.39 2jtf s LEU 22 N 0.37 4.39 0.00 0.00 0.20 0.15 0.09 118.68 123.87 2jtf s LEU 22 Ca -0.07 0.92 0.00 0.00 0.69 0.00 0.00 54.13 55.68 2jtf s LEU 22 Cb -0.15 -2.93 0.00 0.00 -0.43 0.00 0.00 46.19 42.68 2jtf s LEU 22 CO 0.04 0.20 0.00 -0.67 -0.29 0.00 0.00 176.35 175.63 2jtf n ASP 23 N 1.18 0.00 0.00 3.68 -0.08 -0.67 -4.80 116.55 115.86 2jtf n ASP 23 Ca -0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 2jtf n ASP 23 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 2jtf n ASP 23 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jtf n TYR 24 N 9.00 0.00 0.74 -0.67 9.36 -1.26 0.13 117.16 134.45 2jtf n TYR 24 Ca 0.00 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.32 2jtf n TYR 24 Cb 0.00 0.00 0.09 0.00 -0.63 0.00 0.00 39.34 38.80 2jtf n TYR 24 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2jtf n LEU 25 N 0.00 2.66 -2.40 2.98 7.99 -1.26 -4.94 117.00 122.03 2jtf n LEU 25 Ca 0.00 -1.06 -0.12 0.00 -0.01 0.00 0.00 56.01 54.82 2jtf n LEU 25 Cb 0.00 -0.02 0.05 0.00 -0.11 0.00 0.00 43.42 43.34 2jtf n LEU 25 CO 0.00 0.48 0.10 0.00 -1.51 0.00 0.00 177.39 176.46 2jtf n GLN 26 N 1.09 -4.29 -4.11 3.23 3.00 0.34 -5.02 117.38 111.62 2jtf n GLN 26 Ca 0.12 0.50 -0.08 0.00 -0.01 0.00 0.00 57.00 57.53 2jtf n GLN 26 Cb 0.49 -4.51 -0.10 0.00 0.00 0.00 0.00 30.24 26.12 2jtf n GLN 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2jtf s LYS 27 N -5.22 0.76 -0.88 -1.09 -2.85 -0.91 -4.79 119.74 104.76 2jtf s LYS 27 Ca 0.15 -1.31 -0.18 0.00 -1.00 0.00 0.00 55.97 53.63 2jtf s LYS 27 Cb -0.07 0.23 0.14 0.00 -2.06 0.00 0.00 37.83 36.07 2jtf s LYS 27 CO 0.43 -0.18 1.05 -1.58 0.10 0.00 0.00 175.35 175.17 2jtf s TRP 28 N -3.98 3.17 -0.05 1.78 0.52 -1.25 -1.66 118.94 117.48 2jtf s TRP 28 Ca 0.15 -1.39 -0.08 0.00 0.02 0.00 0.00 56.10 54.79 2jtf s TRP 28 Cb 0.08 -4.21 -0.05 0.00 -1.15 0.00 0.00 33.47 28.14 2jtf s TRP 28 CO -0.05 -1.42 0.24 1.52 0.02 0.00 0.00 176.95 177.26 2jtf s TYR 29 N 2.44 3.61 -0.19 -1.98 -0.85 0.11 -4.67 117.35 115.83 2jtf s TYR 29 Ca 0.29 0.62 -0.29 0.00 -0.52 0.00 0.00 57.07 57.17 2jtf s TYR 29 Cb -0.07 -2.01 -0.05 0.00 0.38 0.00 0.00 41.96 40.21 2jtf s TYR 29 CO -0.07 0.67 2.04 -2.14 -1.52 0.00 0.00 175.55 174.53 2jtf s PRO 30 N -1.36 3.41 0.54 -3.49 0.02 -1.26 -1.47 135.00 131.40 2jtf s PRO 30 Ca 0.22 2.00 0.02 0.00 0.02 0.00 0.00 61.00 63.26 2jtf s PRO 30 Cb -0.13 -4.27 0.02 0.00 0.02 0.00 0.00 34.50 30.14 2jtf s PRO 30 CO 0.11 -1.78 0.17 -1.12 -0.33 0.00 0.00 177.00 174.05 2jtf s SER 31 N 6.82 4.35 -0.04 2.53 0.01 0.70 -4.87 113.70 123.21 2jtf s SER 31 Ca 0.92 -1.54 0.05 0.00 1.31 0.00 0.00 55.95 56.69 2jtf s SER 31 Cb -0.32 0.64 -0.02 0.00 0.21 0.00 0.00 66.02 66.52 2jtf s SER 31 CO 0.35 -1.03 -0.17 -0.13 0.41 0.00 0.00 173.24 172.67 2jtf s ARG 32 N -4.08 2.38 -0.44 12.44 0.52 -0.14 -0.34 118.95 129.31 2jtf s ARG 32 Ca 0.13 -0.77 -0.25 0.00 -0.52 0.00 0.00 55.73 54.33 2jtf s ARG 32 Cb -0.01 -2.29 0.02 0.00 0.52 0.00 0.00 34.95 33.20 2jtf s ARG 32 CO 0.09 0.60 0.91 0.42 0.02 0.00 0.00 175.30 177.34 2jtf s ILE 33 N -0.72 4.52 -0.94 1.52 1.01 -0.43 -0.11 121.20 126.06 2jtf s ILE 33 Ca 0.11 0.83 0.15 0.00 0.00 0.00 0.00 60.65 61.74 2jtf s ILE 33 Cb -0.10 -4.39 -0.11 0.00 0.01 0.00 0.00 42.46 37.86 2jtf s ILE 33 CO 0.00 -0.74 0.69 -0.62 0.00 0.00 0.00 174.94 174.28 2jtf n GLU 34 N 7.02 2.01 -3.59 2.79 -0.58 -0.09 0.08 120.64 128.28 2jtf n GLU 34 Ca 0.06 -0.27 -0.09 0.00 -0.42 0.00 0.00 57.16 56.45 2jtf n GLU 34 Cb 0.48 -1.21 -0.05 0.00 -0.57 0.00 0.00 31.44 30.09 2jtf n GLU 34 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2jtf s LYS 35 N -2.20 0.50 0.03 3.49 2.47 -1.21 -4.94 119.74 117.87 2jtf s LYS 35 Ca 0.08 0.09 0.05 0.00 -1.56 0.00 0.00 55.97 54.63 2jtf s LYS 35 Cb 0.12 0.23 -0.02 0.00 -1.46 0.00 0.00 37.83 36.70 2jtf s LYS 35 CO 0.53 -0.16 -0.14 0.42 0.16 0.00 0.00 175.35 176.16 2jtf s ILE 36 N -1.23 1.08 -0.40 5.43 1.01 -1.26 0.04 121.20 125.86 2jtf s ILE 36 Ca 0.01 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.79 2jtf s ILE 36 Cb -0.01 -0.96 0.13 0.00 0.01 0.00 0.00 42.46 41.63 2jtf s ILE 36 CO -0.01 0.08 0.21 -0.62 0.00 0.00 0.00 174.94 174.60 2jtf s ASP 37 N -0.91 3.60 0.49 3.58 2.15 0.11 -4.93 116.67 120.76 2jtf s ASP 37 Ca 0.02 -2.40 0.28 0.00 0.43 0.00 0.00 52.55 50.89 2jtf s ASP 37 Cb -0.07 -0.91 0.87 0.00 -0.30 0.00 0.00 42.92 42.51 2jtf s ASP 37 CO 0.01 -0.30 1.80 1.88 -0.17 0.00 0.00 175.17 178.39 2jtf h TYR 38 N 6.99 0.00 0.36 -5.34 -1.99 -1.93 0.49 116.97 115.54 2jtf h TYR 38 Ca -0.02 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 2jtf h TYR 38 Cb 0.95 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.66 2jtf h TYR 38 CO 0.46 0.00 -0.36 1.49 -0.00 0.00 0.00 178.16 179.75 2jtf h GLU 39 N 0.00 -0.72 0.00 4.88 4.81 -1.92 -2.76 114.58 118.87 2jtf h GLU 39 Ca 0.00 0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.06 2jtf h GLU 39 Cb 0.75 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 2jtf h GLU 39 CO 0.00 -0.48 -1.18 1.49 -0.73 0.00 0.00 179.01 178.11 2jtf h GLU 40 N -0.74 0.00 -2.37 1.92 4.57 -2.00 -3.48 114.58 112.48 2jtf h GLU 40 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2jtf h GLU 40 Cb 0.67 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 2jtf h GLU 40 CO -0.07 0.71 0.00 0.41 -1.18 0.00 0.00 179.01 178.89 2jtf n GLY 41 N 1.40 0.66 3.30 1.92 0.00 0.89 -4.93 105.19 108.43 2jtf n GLY 41 Ca -0.06 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.43 1.32 0.17 1.61 -2.85 0.13 -1.19 119.74 115.50 2jtf s LYS 42 Ca 0.00 -1.69 -0.00 0.00 -1.00 0.00 0.00 55.97 53.28 2jtf s LYS 42 Cb 0.00 -0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 35.38 2jtf s LYS 42 CO 0.00 -0.21 0.06 0.00 0.10 0.00 0.00 175.35 175.30 2jtf s MET 43 N -3.96 1.07 -0.51 1.78 0.23 0.87 0.09 119.30 118.87 2jtf s MET 43 Ca 0.32 -1.53 -0.19 0.00 -1.03 0.00 0.00 55.69 53.26 2jtf s MET 43 Cb 0.07 0.06 0.06 0.00 -1.53 0.00 0.00 34.83 33.49 2jtf s MET 43 CO 0.10 -0.25 0.64 -1.17 -2.03 0.00 0.00 175.02 172.31 2jtf s LEU 44 N -3.13 4.93 -0.29 0.18 0.20 0.11 -1.36 118.68 119.32 2jtf s LEU 44 Ca 0.28 -0.89 -0.16 0.00 0.69 0.00 0.00 54.13 54.04 2jtf s LEU 44 Cb 0.07 -2.46 -0.02 0.00 -0.43 0.00 0.00 46.19 43.34 2jtf s LEU 44 CO 0.05 -0.91 0.44 0.54 -0.29 0.00 0.00 176.35 176.17 2jtf s VAL 45 N 2.69 5.11 -0.44 1.68 0.11 0.11 -0.91 120.40 128.76 2jtf s VAL 45 Ca 0.16 0.53 -0.17 0.00 -2.93 0.00 0.00 61.98 59.57 2jtf s VAL 45 Cb -0.19 -3.80 0.03 0.00 -1.53 0.00 0.00 36.38 30.89 2jtf s VAL 45 CO 0.12 0.03 0.41 -2.28 -3.33 0.00 0.00 175.10 170.05 2jtf s HIS 46 N 2.19 3.19 0.48 1.54 2.46 0.85 -1.29 115.29 124.71 2jtf s HIS 46 Ca 0.17 -0.54 -0.05 0.00 0.47 0.00 0.00 55.06 55.11 2jtf s HIS 46 Cb -0.16 -2.92 -0.04 0.00 -0.13 0.00 0.00 32.58 29.34 2jtf s HIS 46 CO 0.11 -0.72 0.78 -0.06 -2.47 0.00 0.00 174.74 172.38 2jtf s PHE 47 N 1.98 3.56 -0.17 3.88 0.40 -1.26 -0.96 117.98 125.40 2jtf s PHE 47 Ca 0.09 0.80 -0.14 0.00 -0.60 0.00 0.00 56.93 57.08 2jtf s PHE 47 Cb -0.19 -2.30 -0.07 0.00 0.51 0.00 0.00 43.02 40.97 2jtf s PHE 47 CO 0.11 -0.28 -0.18 -1.91 0.70 0.00 0.00 175.22 173.66 2jtf n GLU 48 N -2.26 0.50 -3.87 0.44 2.13 -1.26 -4.81 120.64 111.51 2jtf n GLU 48 Ca 0.00 0.43 -0.35 0.00 0.66 0.00 0.00 57.16 57.90 2jtf n GLU 48 Cb 0.55 -1.62 -0.13 0.00 0.27 0.00 0.00 31.44 30.52 2jtf n GLU 48 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2jtf s ARG 49 N -2.46 2.15 -0.08 5.31 3.00 -1.26 -5.05 118.95 120.57 2jtf s ARG 49 Ca -0.22 -1.55 -0.30 0.00 -1.00 0.00 0.00 55.73 52.65 2jtf s ARG 49 Cb 0.04 -3.34 0.10 0.00 0.00 0.00 0.00 34.95 31.75 2jtf s ARG 49 CO 0.35 -0.84 0.83 -0.46 0.00 0.00 0.00 175.30 175.18 2jtf s TRP 50 N 1.17 -0.50 -0.12 5.12 -0.11 -1.26 -5.02 118.94 118.22 2jtf s TRP 50 Ca 0.02 0.79 -0.04 0.00 1.22 0.00 0.00 56.10 58.08 2jtf s TRP 50 Cb -0.21 0.45 0.06 0.00 -1.50 0.00 0.00 33.47 32.27 2jtf s TRP 50 CO -0.03 -0.50 0.24 -1.12 -4.62 0.00 0.00 176.95 170.91 2jtf s SER 51 N -1.37 0.34 0.00 5.86 0.01 -1.26 -4.91 113.70 112.38 2jtf s SER 51 Ca -0.05 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.74 2jtf s SER 51 Cb -0.00 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.79 2jtf s SER 51 CO 0.03 -0.23 0.00 1.57 0.41 0.00 0.00 173.24 175.02 2jtf n HIS 52 N 5.17 0.00 -3.49 2.43 -0.00 -1.26 -5.08 115.22 112.99 2jtf n HIS 52 Ca -0.09 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.65 2jtf n HIS 52 Cb 0.50 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.44 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 0.00 0.16 -0.32 1.57 3.52 -1.26 -5.12 118.95 117.49 2jtf s ARG 53 Ca 0.00 0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 55.63 2jtf s ARG 53 Cb 0.00 0.11 0.02 0.00 -1.56 0.00 0.00 34.95 33.52 2jtf s ARG 53 CO 0.00 -0.04 1.07 0.71 -0.81 0.00 0.00 175.30 176.23 2jtf s TYR 54 N 1.60 3.15 -0.12 5.12 2.02 -1.26 -4.14 117.35 123.72 2jtf s TYR 54 Ca -0.05 1.18 -0.02 0.00 -0.37 0.00 0.00 57.07 57.81 2jtf s TYR 54 Cb -0.03 -3.69 0.01 0.00 -0.40 0.00 0.00 41.96 37.85 2jtf s TYR 54 CO -0.14 -0.77 0.04 -0.25 -1.57 0.00 0.00 175.55 172.86 2jtf n ASP 55 N 6.87 -3.44 -4.96 2.29 8.00 -1.26 -5.06 116.55 118.98 2jtf n ASP 55 Ca 0.12 0.63 -0.22 0.00 0.71 0.00 0.00 54.79 56.03 2jtf n ASP 55 Cb 0.47 -2.93 -0.02 0.00 -0.02 0.00 0.00 41.12 38.62 2jtf n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2jtf s GLU 56 N -0.77 3.44 -0.23 -1.24 2.56 -0.41 -4.90 118.70 117.15 2jtf s GLU 56 Ca -0.05 -0.73 0.02 0.00 0.00 0.00 0.00 54.97 54.22 2jtf s GLU 56 Cb 0.00 -2.90 0.04 0.00 2.00 0.00 0.00 34.13 33.27 2jtf s GLU 56 CO 0.35 0.45 -0.15 -1.58 -0.56 0.00 0.00 175.26 173.77 2jtf s TRP 57 N -1.93 3.06 0.01 5.30 0.52 -1.26 0.06 118.94 124.70 2jtf s TRP 57 Ca 0.34 -2.04 0.02 0.00 0.02 0.00 0.00 56.10 54.45 2jtf s TRP 57 Cb -0.09 -1.93 -0.01 0.00 -1.15 0.00 0.00 33.47 30.29 2jtf s TRP 57 CO 0.29 -0.85 -0.07 0.42 0.02 0.00 0.00 176.95 176.76 2jtf s ILE 58 N 1.18 0.52 0.94 2.03 1.01 -0.46 -4.92 121.20 121.50 2jtf s ILE 58 Ca -0.03 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 2jtf s ILE 58 Cb -0.17 -0.50 0.16 0.00 0.01 0.00 0.00 42.46 41.96 2jtf s ILE 58 CO -0.08 -0.06 1.12 -0.31 0.00 0.00 0.00 174.94 175.61 2jtf s TYR 59 N -0.61 1.69 0.00 3.97 2.02 -1.26 -0.09 117.35 123.07 2jtf s TYR 59 Ca -0.02 1.67 0.00 0.00 -0.37 0.00 0.00 57.07 58.35 2jtf s TYR 59 Cb -0.05 -3.27 0.00 0.00 -0.40 0.00 0.00 41.96 38.23 2jtf s TYR 59 CO 0.00 -2.86 0.90 0.91 -1.57 0.00 0.00 175.55 172.93 2jtf n TRP 60 N -4.26 0.00 -3.79 2.71 7.02 -0.33 -2.91 117.44 115.88 2jtf n TRP 60 Ca 0.10 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.30 2jtf n TRP 60 Cb 0.53 -0.40 -0.11 0.00 -2.42 0.00 0.00 31.31 28.91 2jtf n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2jtf n ASP 61 N -2.42 3.23 0.01 -0.99 9.92 -1.25 -3.28 116.55 121.78 2jtf n ASP 61 Ca 0.00 -3.27 -0.12 0.00 -0.53 0.00 0.00 54.79 50.87 2jtf n ASP 61 Cb 0.00 -0.74 -0.07 0.00 -0.64 0.00 0.00 41.12 39.67 2jtf n ASP 61 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2jtf h SER 62 N 5.10 0.05 0.00 -2.24 4.64 -1.63 -3.46 113.55 116.01 2jtf h SER 62 Ca 0.16 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2jtf h SER 62 Cb 0.73 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2jtf h SER 62 CO 0.75 0.12 0.00 -0.46 -0.87 0.00 0.00 176.83 176.37 2jtf n ASN 63 N -5.02 0.00 0.00 4.97 0.23 -1.26 -4.95 115.26 109.24 2jtf n ASN 63 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 2jtf n ASN 63 Cb 0.07 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 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 0.05 -4.31 -3.83 0.63 -1.26 -4.98 116.66 102.96 2jtf n ARG 64 Ca 0.00 -0.58 -0.20 0.00 -0.92 0.00 0.00 57.85 56.15 2jtf n ARG 64 Cb 0.00 -0.85 -0.13 0.00 0.45 0.00 0.00 32.46 31.93 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 -0.19 2.20 -0.04 6.15 2.01 -1.26 0.30 118.68 127.85 2jtf s LEU 65 Ca 0.00 -0.50 -0.03 0.00 0.01 0.00 0.00 54.13 53.61 2jtf s LEU 65 Cb 0.00 -0.59 0.02 0.00 0.01 0.00 0.00 46.19 45.63 2jtf s LEU 65 CO 0.00 0.01 0.10 -0.13 1.01 0.00 0.00 176.35 177.34 2jtf s ARG 66 N -1.29 0.10 0.00 1.70 0.52 0.92 -3.78 118.95 117.13 2jtf s ARG 66 Ca 0.01 0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.40 2jtf s ARG 66 Cb -0.08 -0.00 0.00 0.00 0.52 0.00 0.00 34.95 35.38 2jtf s ARG 66 CO 0.02 -0.05 0.00 -2.30 0.02 0.00 0.00 175.30 172.98 2jtf n PRO 67 N 3.31 -0.50 -0.76 3.54 -0.02 -1.26 -1.64 135.00 137.67 2jtf n PRO 67 Ca -0.16 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.17 2jtf n PRO 67 Cb 0.57 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 34.17 2jtf n PRO 67 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2jtf n LEU 68 N 0.00 0.00 0.30 2.45 7.94 -1.26 -4.22 117.00 122.20 2jtf n LEU 68 Ca 0.00 -0.67 0.20 0.00 -1.11 0.00 0.00 56.01 54.43 2jtf n LEU 68 Cb 0.00 -0.51 1.06 0.00 0.53 0.00 0.00 43.42 44.50 2jtf n LEU 68 CO 0.00 -1.25 1.10 1.05 -1.11 0.00 0.00 177.39 177.18 2jtf h GLU 69 N 0.00 0.00 0.00 1.96 4.11 -1.97 -3.47 114.58 115.20 2jtf h GLU 69 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 2jtf h GLU 69 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2jtf h GLU 69 CO 0.14 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.76