#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjj h VAL 4 N 0.00 1.27 -0.61 12.58 3.04 -2.01 -3.22 116.25 127.29 1jjj h VAL 4 Ca 0.00 -1.27 0.18 0.00 -1.01 0.00 0.00 66.70 64.60 1jjj h VAL 4 Cb 0.00 1.41 -0.02 0.00 -2.01 0.00 0.00 31.29 30.67 1jjj h VAL 4 CO 0.00 0.40 0.51 1.56 -1.01 0.00 0.00 177.57 179.02 1jjj h GLN 5 N 0.35 0.00 -1.00 4.17 7.50 -2.02 -1.73 115.11 122.37 1jjj h GLN 5 Ca 0.05 0.00 0.18 0.00 0.50 0.00 0.00 58.65 59.38 1jjj h GLN 5 Cb 0.67 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 28.10 1jjj h GLN 5 CO 0.05 0.00 0.62 1.96 -1.50 0.00 0.00 178.83 179.95 1jjj h GLN 6 N 0.00 0.75 0.00 1.46 4.20 -2.00 -2.39 115.11 117.13 1jjj h GLN 6 Ca 0.29 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1jjj h GLN 6 Cb 1.30 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1jjj h GLN 6 CO -0.00 0.50 0.00 1.28 -0.67 0.00 0.00 178.83 179.94 1jjj n LEU 7 N -4.73 0.00 -4.78 1.46 4.77 -0.65 -4.90 117.00 108.17 1jjj n LEU 7 Ca 0.23 0.31 -0.38 0.00 -0.03 0.00 0.00 56.01 56.13 1jjj n LEU 7 Cb 0.55 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1jjj n LEU 7 CO 0.23 -0.11 0.21 -1.61 -1.33 0.00 0.00 177.39 174.78 1jjj s GLU 8 N -2.61 4.22 0.00 3.23 2.02 -0.90 -4.76 118.70 119.89 1jjj s GLU 8 Ca 0.18 0.58 0.00 0.00 0.02 0.00 0.00 54.97 55.75 1jjj s GLU 8 Cb 0.13 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 31.04 1jjj s GLU 8 CO 0.30 0.43 0.00 0.41 0.02 0.00 0.00 175.26 176.42 1jjj n GLY 9 N 2.41 -0.84 3.60 -1.39 0.00 -0.42 -4.98 105.19 103.58 1jjj n GLY 9 Ca -0.09 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 1jjj n GLY 9 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jjj s ARG 10 N -1.72 3.98 -0.19 1.61 3.52 -1.26 -0.90 118.95 123.99 1jjj s ARG 10 Ca 0.00 0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.72 1jjj s ARG 10 Cb 0.00 -3.67 0.03 0.00 -1.56 0.00 0.00 34.95 29.74 1jjj s ARG 10 CO 0.00 -0.35 -0.17 -1.58 -0.81 0.00 0.00 175.30 172.39 1jjj s TRP 11 N 2.19 2.72 -0.20 5.12 0.52 -0.31 -0.53 118.94 128.45 1jjj s TRP 11 Ca 0.17 -1.68 -0.06 0.00 0.02 0.00 0.00 56.10 54.56 1jjj s TRP 11 Cb -0.16 -1.85 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 1jjj s TRP 11 CO 0.10 -0.79 0.04 0.50 0.02 0.00 0.00 176.95 176.82 1jjj s ARG 12 N 1.30 3.79 -0.02 4.98 3.52 -0.15 -0.85 118.95 131.52 1jjj s ARG 12 Ca 0.02 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 54.89 1jjj s ARG 12 Cb -0.14 -3.18 -0.05 0.00 -1.56 0.00 0.00 34.95 30.02 1jjj s ARG 12 CO -0.11 0.10 1.40 -1.17 -0.81 0.00 0.00 175.30 174.71 1jjj s LEU 13 N 0.80 4.31 0.06 -0.88 2.96 -1.24 -0.92 118.68 123.77 1jjj s LEU 13 Ca 0.02 2.08 0.00 0.00 -0.22 0.00 0.00 54.13 56.01 1jjj s LEU 13 Cb -0.14 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1jjj s LEU 13 CO 0.02 -0.73 0.00 1.33 -1.32 0.00 0.00 176.35 175.66 1jjj n VAL 14 N 4.75 0.67 -3.67 1.68 0.24 -0.73 -4.65 118.33 116.62 1jjj n VAL 14 Ca 0.13 0.22 -0.38 0.00 -2.04 0.00 0.00 64.34 62.27 1jjj n VAL 14 Cb 0.44 -1.53 -0.10 0.00 -1.47 0.00 0.00 33.84 31.18 1jjj n VAL 14 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jjj s ASP 15 N -5.54 5.48 -0.49 -1.34 2.15 -1.21 -5.00 116.67 110.71 1jjj s ASP 15 Ca 0.00 -2.05 -0.02 0.00 0.43 0.00 0.00 52.55 50.91 1jjj s ASP 15 Cb 0.00 -1.92 0.13 0.00 -0.30 0.00 0.00 42.92 40.83 1jjj s ASP 15 CO 0.00 -0.60 0.29 -0.94 -0.17 0.00 0.00 175.17 173.75 1jjj s SER 16 N 2.12 5.14 -0.22 -0.34 1.04 -1.26 -1.05 113.70 119.14 1jjj s SER 16 Ca 0.08 -2.43 -0.06 0.00 0.48 0.00 0.00 55.95 54.02 1jjj s SER 16 Cb -0.24 -1.81 -0.03 0.00 0.10 0.00 0.00 66.02 64.04 1jjj s SER 16 CO -0.03 -0.44 0.03 -1.59 0.98 0.00 0.00 173.24 172.19 1jjj s LYS 17 N 0.56 3.65 0.00 4.02 -2.85 -1.01 -4.64 119.74 119.47 1jjj s LYS 17 Ca 0.12 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.60 1jjj s LYS 17 Cb -0.22 -3.17 0.00 0.00 -2.06 0.00 0.00 37.83 32.38 1jjj s LYS 17 CO -0.04 -0.04 0.00 0.41 0.10 0.00 0.00 175.35 175.78 1jjj n GLY 18 N 4.43 0.46 0.14 0.59 0.00 -1.26 -1.43 105.19 108.12 1jjj n GLY 18 Ca -0.17 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 1jjj n GLY 18 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jjj h PHE 19 N 0.00 0.88 -0.76 1.61 3.57 -1.83 -0.95 116.94 119.47 1jjj h PHE 19 Ca 0.00 -0.63 0.09 0.00 3.53 0.00 0.00 57.97 60.96 1jjj h PHE 19 Cb 0.00 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.63 1jjj h PHE 19 CO 0.00 1.48 0.41 0.22 -2.23 0.00 0.00 178.31 178.20 1jjj h ASP 20 N 0.04 0.58 -0.26 0.41 3.58 -1.92 -2.21 116.42 116.63 1jjj h ASP 20 Ca -0.22 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.30 1jjj h ASP 20 Cb 1.99 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.96 1jjj h ASP 20 CO 0.24 0.33 0.12 -0.33 -2.88 0.00 0.00 179.24 176.73 1jjj h GLU 21 N 0.70 0.25 -0.12 0.28 5.08 -1.94 -0.06 114.58 118.78 1jjj h GLU 21 Ca 0.37 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.76 1jjj h GLU 21 Cb 0.34 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 1jjj h GLU 21 CO -0.25 0.17 -0.35 -0.92 -1.00 0.00 0.00 179.01 176.66 1jjj h TYR 22 N 0.26 -0.97 0.00 4.33 3.20 -1.13 -2.32 116.97 120.35 1jjj h TYR 22 Ca 0.11 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1jjj h TYR 22 Cb 0.04 0.44 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 1jjj h TYR 22 CO -0.10 -0.42 -0.02 0.52 -1.64 0.00 0.00 178.16 176.49 1jjj h MET 23 N -0.43 0.00 -0.23 1.82 2.86 -1.33 -1.53 114.93 116.08 1jjj h MET 23 Ca 0.09 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1jjj h MET 23 Cb 0.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1jjj h MET 23 CO -0.36 0.02 0.06 0.87 1.06 0.00 0.00 176.91 178.57 1jjj h LYS 24 N 0.00 0.37 -0.68 1.72 1.57 -0.76 -0.98 116.57 117.81 1jjj h LYS 24 Ca -0.00 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1jjj h LYS 24 Cb 0.09 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1jjj h LYS 24 CO 0.00 0.48 0.35 1.49 -0.57 0.00 0.00 179.45 181.20 1jjj h GLU 25 N 0.20 0.96 -0.02 3.15 4.81 -0.93 -3.05 114.58 119.69 1jjj h GLU 25 Ca 0.07 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1jjj h GLU 25 Cb 0.27 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1jjj h GLU 25 CO 0.00 0.73 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.81 1jjj h LEU 26 N 0.96 -0.36 -0.22 1.64 3.38 -1.35 -3.50 115.31 115.87 1jjj h LEU 26 Ca 0.24 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1jjj h LEU 26 Cb 0.07 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1jjj h LEU 26 CO -0.03 -0.17 0.00 0.61 0.09 0.00 0.00 178.44 178.93 1jjj n GLY 27 N -1.26 0.71 3.29 0.83 0.00 -0.42 -5.10 105.19 103.24 1jjj n GLY 27 Ca -0.05 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 1jjj n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jjj s VAL 28 N -1.61 2.08 0.67 1.61 1.01 -0.92 -5.04 120.40 118.21 1jjj s VAL 28 Ca 0.00 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 1jjj s VAL 28 Cb 0.00 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1jjj s VAL 28 CO 0.00 0.57 1.18 -0.83 0.00 0.00 0.00 175.10 176.03 1jjj s GLY 29 N -0.32 2.42 0.12 4.51 0.00 -1.26 -4.73 107.32 108.05 1jjj s GLY 29 Ca 0.01 0.84 -0.20 0.00 0.00 0.00 0.00 44.72 45.38 1jjj s GLY 29 CO 0.02 1.23 1.76 -2.22 0.00 0.00 0.00 173.10 173.89 1jjj h ILE 30 N 0.13 0.99 -0.68 0.90 5.03 -2.00 0.06 117.51 121.93 1jjj h ILE 30 Ca -0.48 -0.06 0.03 0.00 -0.12 0.00 0.00 64.86 64.23 1jjj h ILE 30 Cb 1.28 0.79 -0.04 0.00 -3.03 0.00 0.00 36.82 35.82 1jjj h ILE 30 CO 0.52 0.03 0.42 0.00 -0.68 0.00 0.00 178.15 178.45 1jjj h ALA 31 N 1.09 0.89 -0.40 1.87 0.00 -1.99 -0.84 119.26 119.89 1jjj h ALA 31 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jjj h ALA 31 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1jjj h ALA 31 CO -0.06 0.18 0.26 -0.07 0.00 0.00 0.00 179.25 179.56 1jjj h LEU 32 N 0.81 0.47 -0.44 0.00 3.38 -1.84 -1.82 115.31 115.88 1jjj h LEU 32 Ca 0.28 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1jjj h LEU 32 Cb 0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1jjj h LEU 32 CO -0.12 0.35 0.23 0.03 0.09 0.00 0.00 178.44 179.01 1jjj h ARG 33 N 0.54 0.62 -0.81 1.13 3.08 -0.98 -2.19 114.38 115.77 1jjj h ARG 33 Ca 0.15 -0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.21 1jjj h ARG 33 Cb -0.05 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 29.81 1jjj h ARG 33 CO -0.03 0.51 0.46 -0.22 -1.07 0.00 0.00 179.97 179.62 1jjj h LYS 34 N 0.57 0.76 -0.44 0.04 3.11 -1.09 0.14 116.57 119.66 1jjj h LYS 34 Ca 0.15 -0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 57.93 1jjj h LYS 34 Cb 0.08 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.12 1jjj h LYS 34 CO -0.02 0.50 0.21 0.52 -2.81 0.00 0.00 179.45 177.85 1jjj h MET 35 N 0.78 0.62 -0.08 1.90 2.86 -1.33 -3.32 114.93 116.37 1jjj h MET 35 Ca 0.39 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.92 1jjj h MET 35 Cb 0.34 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1jjj h MET 35 CO -0.24 0.53 -0.02 0.78 1.06 0.00 0.00 176.91 179.03 1jjj h GLY 36 N 0.56 0.17 0.98 8.32 0.00 -1.04 -3.32 103.07 108.73 1jjj h GLY 36 Ca 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1jjj h GLY 36 CO -0.02 0.12 0.16 0.00 0.00 0.00 0.00 176.54 176.80 1jjj h ALA 37 N 0.68 0.32 -0.22 3.60 0.00 -0.87 -3.12 119.26 119.66 1jjj h ALA 37 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jjj h ALA 37 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jjj h ALA 37 CO 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.08 1jjj n MET 38 N -4.89 1.52 -2.78 0.00 0.00 -1.25 -4.96 117.12 104.77 1jjj n MET 38 Ca -0.02 -0.79 -0.41 0.00 0.00 0.00 0.00 57.70 56.47 1jjj n MET 38 Cb 0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 33.22 32.04 1jjj n MET 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1jjj s ALA 39 N -1.70 3.22 -0.90 3.17 0.00 -1.18 -5.03 121.76 119.34 1jjj s ALA 39 Ca 0.15 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 1jjj s ALA 39 Cb 0.08 -3.25 0.26 0.00 0.00 0.00 0.00 23.12 20.21 1jjj s ALA 39 CO 0.10 -0.14 0.99 0.36 0.00 0.00 0.00 175.76 177.07 1jjj n LYS 40 N 3.55 3.18 -1.65 0.00 2.85 -1.26 -4.89 118.16 119.94 1jjj n LYS 40 Ca 0.04 -4.55 -0.32 0.00 -1.05 0.00 0.00 58.31 52.43 1jjj n LYS 40 Cb 0.51 -2.41 0.05 0.00 -0.65 0.00 0.00 35.03 32.52 1jjj n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1jjj s PRO 41 N -2.06 2.90 -0.74 -1.58 0.04 -1.26 -4.64 135.00 127.67 1jjj s PRO 41 Ca 0.32 1.09 -0.24 0.00 0.04 0.00 0.00 61.00 62.21 1jjj s PRO 41 Cb 0.02 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.64 1jjj s PRO 41 CO -0.03 -1.13 1.12 -0.51 0.04 0.00 0.00 177.00 176.48 1jjj s ASP 42 N -3.36 6.24 -0.62 6.66 1.11 -0.65 -3.64 116.67 122.41 1jjj s ASP 42 Ca 0.61 -0.96 -0.22 0.00 0.18 0.00 0.00 52.55 52.15 1jjj s ASP 42 Cb -0.16 -2.47 0.07 0.00 1.07 0.00 0.00 42.92 41.43 1jjj s ASP 42 CO 0.49 -1.54 0.91 0.00 1.18 0.00 0.00 175.17 176.22 1jjj s ILE 44 N 3.80 4.99 -0.17 0.00 1.01 -0.01 -1.16 121.20 129.65 1jjj s ILE 44 Ca 0.22 0.25 -0.02 0.00 0.00 0.00 0.00 60.65 61.11 1jjj s ILE 44 Cb -0.17 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 1jjj s ILE 44 CO 0.12 -0.30 -0.10 -0.63 0.00 0.00 0.00 174.94 174.03 1jjj s ILE 45 N 2.45 3.10 -0.17 2.92 1.01 -0.08 -1.19 121.20 129.24 1jjj s ILE 45 Ca 0.19 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 60.11 1jjj s ILE 45 Cb -0.15 -2.35 0.05 0.00 0.01 0.00 0.00 42.46 40.02 1jjj s ILE 45 CO 0.14 0.49 0.43 -0.89 0.00 0.00 0.00 174.94 175.11 1jjj s THR 46 N 0.88 -0.01 -0.25 2.92 2.01 -0.85 -1.30 115.64 119.04 1jjj s THR 46 Ca -0.03 0.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.92 1jjj s THR 46 Cb -0.15 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 1jjj s THR 46 CO 0.00 0.02 0.16 0.00 -0.69 0.00 0.00 174.62 174.11 1jjj n ASP 48 N 4.45 4.60 0.00 0.00 2.03 -0.48 -4.90 116.55 122.26 1jjj n ASP 48 Ca -0.15 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.24 1jjj n ASP 48 Cb 0.52 -1.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 1jjj n ASP 48 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 49 N 4.38 0.66 0.08 0.27 0.00 -1.26 -1.18 105.19 108.14 1jjj n GLY 49 Ca 0.47 0.55 -0.06 0.00 0.00 0.00 0.00 46.02 46.98 1jjj n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jjj h LYS 50 N 0.00 0.00 -5.91 1.61 1.57 -1.93 -3.47 116.57 108.44 1jjj h LYS 50 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1jjj h LYS 50 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.20 1jjj h LYS 50 CO 0.00 0.52 1.52 -0.80 -0.57 0.00 0.00 179.45 180.12 1jjj s ASN 51 N -6.13 6.58 -0.49 0.86 0.01 -0.33 -0.45 114.94 115.01 1jjj s ASN 51 Ca -0.03 -1.70 -0.27 0.00 -0.71 0.00 0.00 52.86 50.14 1jjj s ASN 51 Cb 0.08 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 39.23 1jjj s ASN 51 CO 0.82 -1.39 1.05 -0.22 -1.51 0.00 0.00 177.10 175.85 1jjj s LEU 52 N 4.52 3.79 -0.36 0.60 0.20 0.06 -1.39 118.68 126.11 1jjj s LEU 52 Ca 0.46 0.25 -0.13 0.00 0.69 0.00 0.00 54.13 55.40 1jjj s LEU 52 Cb -0.00 -3.34 -0.00 0.00 -0.43 0.00 0.00 46.19 42.42 1jjj s LEU 52 CO -0.07 -1.20 0.24 -0.89 -0.29 0.00 0.00 176.35 174.14 1jjj s THR 53 N 4.21 5.07 -0.29 3.68 2.01 -0.16 -1.30 115.64 128.85 1jjj s THR 53 Ca 0.42 -0.45 -0.04 0.00 0.31 0.00 0.00 61.69 61.93 1jjj s THR 53 Cb -0.09 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.77 1jjj s THR 53 CO 0.29 -0.10 0.03 -0.63 -0.69 0.00 0.00 174.62 173.52 1jjj s ILE 54 N 1.67 3.47 -0.38 1.82 1.01 -0.19 -2.01 121.20 126.60 1jjj s ILE 54 Ca 0.05 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 1jjj s ILE 54 Cb -0.18 -2.85 0.08 0.00 0.01 0.00 0.00 42.46 39.51 1jjj s ILE 54 CO 0.09 0.03 0.16 -0.75 0.00 0.00 0.00 174.94 174.47 1jjj s LYS 55 N 1.39 2.39 -0.61 2.79 2.20 -0.33 -1.45 119.74 126.12 1jjj s LYS 55 Ca -0.00 -1.48 -0.21 0.00 -0.36 0.00 0.00 55.97 53.92 1jjj s LYS 55 Cb -0.18 -3.54 0.08 0.00 -1.51 0.00 0.00 37.83 32.68 1jjj s LYS 55 CO 0.00 -0.87 0.83 0.99 -0.36 0.00 0.00 175.35 175.94 1jjj s THR 56 N 1.30 4.57 -0.30 3.43 2.01 0.22 -0.83 115.64 126.03 1jjj s THR 56 Ca 0.02 -0.53 -0.17 0.00 0.31 0.00 0.00 61.69 61.32 1jjj s THR 56 Cb -0.22 -4.56 -0.02 0.00 0.01 0.00 0.00 72.50 67.72 1jjj s THR 56 CO -0.00 -1.23 0.46 -1.61 -0.69 0.00 0.00 174.62 171.54 1jjj s GLU 57 N 3.41 3.86 -0.20 4.92 0.41 -0.39 -1.41 118.70 129.31 1jjj s GLU 57 Ca 0.18 0.01 -0.18 0.00 -0.41 0.00 0.00 54.97 54.58 1jjj s GLU 57 Cb -0.19 -3.72 0.05 0.00 -1.78 0.00 0.00 34.13 28.49 1jjj s GLU 57 CO 0.10 -0.44 0.52 0.45 -0.49 0.00 0.00 175.26 175.40 1jjj s SER 58 N 1.66 -0.55 0.39 -0.19 0.15 -1.26 -1.63 113.70 112.27 1jjj s SER 58 Ca 0.18 1.05 0.06 0.00 0.70 0.00 0.00 55.95 57.94 1jjj s SER 58 Cb -0.16 1.06 0.78 0.00 -1.71 0.00 0.00 66.02 65.99 1jjj s SER 58 CO 0.11 -0.18 2.03 0.71 1.20 0.00 0.00 173.24 177.10 1jjj h THR 59 N 4.37 1.13 0.38 6.45 1.35 -1.98 -2.45 112.91 122.15 1jjj h THR 59 Ca -0.28 -0.29 -0.02 0.00 -0.55 0.00 0.00 66.41 65.27 1jjj h THR 59 Cb 1.18 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1jjj h THR 59 CO 0.18 0.13 -0.18 -0.07 -0.25 0.00 0.00 175.52 175.34 1jjj h LEU 60 N 0.61 -0.43 -6.32 3.87 3.38 -1.97 -3.45 115.31 111.00 1jjj h LEU 60 Ca 0.16 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1jjj h LEU 60 Cb -0.02 0.11 -0.26 0.00 0.09 0.00 0.00 40.66 40.58 1jjj h LEU 60 CO -0.03 -0.09 -0.40 -0.75 0.09 0.00 0.00 178.44 177.26 1jjj s LYS 61 N -4.86 0.43 0.35 1.13 2.47 -1.22 -4.94 119.74 113.09 1jjj s LYS 61 Ca -0.14 0.73 -0.24 0.00 -1.56 0.00 0.00 55.97 54.76 1jjj s LYS 61 Cb 0.02 -0.07 -0.10 0.00 -1.46 0.00 0.00 37.83 36.23 1jjj s LYS 61 CO 0.54 -0.62 0.92 0.99 0.16 0.00 0.00 175.35 177.35 1jjj s THR 62 N 2.66 4.32 -0.21 3.43 2.01 -0.92 -4.34 115.64 122.58 1jjj s THR 62 Ca 0.15 1.64 -0.17 0.00 0.31 0.00 0.00 61.69 63.62 1jjj s THR 62 Cb -0.15 -3.86 0.06 0.00 0.01 0.00 0.00 72.50 68.56 1jjj s THR 62 CO -0.18 -0.01 0.55 -0.89 -0.69 0.00 0.00 174.62 173.41 1jjj s THR 63 N -1.79 -0.00 -0.00 -0.82 2.01 -0.50 -4.96 115.64 109.57 1jjj s THR 63 Ca 0.53 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.52 1jjj s THR 63 Cb -0.15 -0.79 -0.00 0.00 0.01 0.00 0.00 72.50 71.57 1jjj s THR 63 CO 0.20 0.01 0.06 0.00 -0.69 0.00 0.00 174.62 174.20 1jjj s GLN 64 N 0.71 0.29 -0.03 4.92 -2.07 -1.26 -0.61 119.66 121.61 1jjj s GLN 64 Ca -0.03 -0.28 -0.28 0.00 -1.82 0.00 0.00 55.36 52.95 1jjj s GLN 64 Cb -0.05 0.12 0.06 0.00 -1.09 0.00 0.00 33.01 32.05 1jjj s GLN 64 CO -0.05 -0.06 0.62 -0.59 -1.32 0.00 0.00 175.29 173.89 1jjj s PHE 65 N -0.89 -0.58 -0.38 9.60 -0.12 -0.53 -4.95 117.98 120.14 1jjj s PHE 65 Ca -0.10 0.93 -0.08 0.00 -0.05 0.00 0.00 56.93 57.64 1jjj s PHE 65 Cb -0.06 0.37 0.06 0.00 -0.63 0.00 0.00 43.02 42.76 1jjj s PHE 65 CO 0.00 -0.60 0.18 -1.54 -0.05 0.00 0.00 175.22 173.21 1jjj s SER 66 N -1.35 5.47 -0.34 1.98 1.04 -1.26 -1.02 113.70 118.22 1jjj s SER 66 Ca -0.10 -1.32 -0.14 0.00 0.48 0.00 0.00 55.95 54.87 1jjj s SER 66 Cb -0.01 -1.92 -0.02 0.00 0.10 0.00 0.00 66.02 64.17 1jjj s SER 66 CO 0.07 -0.42 0.28 0.00 0.98 0.00 0.00 173.24 174.15 1jjj s THR 68 N 1.82 3.77 -0.36 0.00 2.01 -1.26 -0.76 115.64 120.86 1jjj s THR 68 Ca 0.08 0.79 -0.29 0.00 0.31 0.00 0.00 61.69 62.58 1jjj s THR 68 Cb -0.17 -3.99 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 1jjj s THR 68 CO 0.11 -0.61 1.62 -0.22 -0.69 0.00 0.00 174.62 174.84 1jjj s LEU 69 N 5.81 3.56 0.00 4.42 2.96 0.41 -1.62 118.68 134.23 1jjj s LEU 69 Ca 0.68 1.13 0.00 0.00 -0.22 0.00 0.00 54.13 55.71 1jjj s LEU 69 Cb -0.17 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1jjj s LEU 69 CO 0.32 -1.56 0.00 0.61 -1.32 0.00 0.00 176.35 174.40 1jjj n GLY 70 N 5.23 3.32 3.13 7.98 0.00 0.98 -4.97 105.19 120.85 1jjj n GLY 70 Ca 0.20 -0.84 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 1jjj n GLY 70 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jjj n GLU 71 N 0.00 0.42 -3.72 1.61 4.71 -0.64 -4.69 120.64 118.33 1jjj n GLU 71 Ca 0.00 -2.38 -0.35 0.00 -0.01 0.00 0.00 57.16 54.42 1jjj n GLU 71 Cb 0.00 -0.33 -0.08 0.00 -1.01 0.00 0.00 31.44 30.02 1jjj n GLU 71 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1jjj s LYS 72 N -4.30 4.16 0.29 3.49 2.20 -1.26 -2.72 119.74 121.60 1jjj s LYS 72 Ca 0.51 -0.19 0.01 0.00 -0.36 0.00 0.00 55.97 55.93 1jjj s LYS 72 Cb -0.04 -3.41 -0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1jjj s LYS 72 CO 0.33 0.32 0.03 1.97 -0.36 0.00 0.00 175.35 177.63 1jjj n PHE 73 N 3.46 0.53 -3.84 4.03 -1.74 -0.14 -4.90 117.46 114.85 1jjj n PHE 73 Ca -0.16 -1.54 -0.36 0.00 -0.56 0.00 0.00 57.45 54.84 1jjj n PHE 73 Cb 0.52 -0.15 -0.13 0.00 1.52 0.00 0.00 39.48 41.24 1jjj n PHE 73 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1jjj s GLU 74 N -3.06 3.44 0.03 3.97 2.02 -1.26 -0.51 118.70 123.33 1jjj s GLU 74 Ca 0.04 -0.60 -0.29 0.00 0.02 0.00 0.00 54.97 54.14 1jjj s GLU 74 Cb 0.00 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 1jjj s GLU 74 CO 0.03 -0.22 0.92 -2.00 0.02 0.00 0.00 175.26 174.00 1jjj s GLU 75 N 1.52 4.58 -0.44 1.61 2.12 -0.97 -4.88 118.70 122.24 1jjj s GLU 75 Ca 0.06 1.32 -0.15 0.00 0.36 0.00 0.00 54.97 56.56 1jjj s GLU 75 Cb -0.15 -3.42 0.05 0.00 0.26 0.00 0.00 34.13 30.87 1jjj s GLU 75 CO -0.01 0.08 0.34 0.99 -0.54 0.00 0.00 175.26 176.13 1jjj s THR 76 N 0.56 5.14 0.82 -1.70 2.01 -1.26 -1.24 115.64 119.98 1jjj s THR 76 Ca 0.47 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 61.43 1jjj s THR 76 Cb -0.21 -3.99 0.08 0.00 0.01 0.00 0.00 72.50 68.39 1jjj s THR 76 CO 0.27 -0.46 1.09 0.42 -0.69 0.00 0.00 174.62 175.25 1jjj s THR 77 N 1.64 3.09 0.48 -0.82 -4.23 -0.90 -4.87 115.64 110.03 1jjj s THR 77 Ca 0.04 0.35 0.21 0.00 -1.18 0.00 0.00 61.69 61.11 1jjj s THR 77 Cb -0.22 -2.87 0.37 0.00 1.34 0.00 0.00 72.50 71.12 1jjj s THR 77 CO 0.07 -0.46 1.97 0.00 -0.54 0.00 0.00 174.62 175.66 1jjj h ALA 78 N -1.26 2.31 -0.16 3.99 0.00 -1.94 -2.17 119.26 120.03 1jjj h ALA 78 Ca -0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1jjj h ALA 78 Cb 1.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1jjj h ALA 78 CO 0.53 -0.48 0.07 0.22 0.00 0.00 0.00 179.25 179.59 1jjj h ASP 79 N 0.19 0.22 0.00 0.00 3.58 -1.93 -3.49 116.42 114.99 1jjj h ASP 79 Ca 0.30 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1jjj h ASP 79 Cb 0.90 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.89 1jjj h ASP 79 CO -0.05 0.32 0.00 0.61 -2.88 0.00 0.00 179.24 177.24 1jjj n GLY 80 N -0.71 0.54 2.91 -0.78 0.00 -0.82 -5.04 105.19 101.30 1jjj n GLY 80 Ca -0.04 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 1jjj n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jjj s ARG 81 N -0.00 1.28 -0.48 1.61 0.52 -1.26 -4.91 118.95 115.71 1jjj s ARG 81 Ca 0.00 -0.20 -0.26 0.00 -0.52 0.00 0.00 55.73 54.74 1jjj s ARG 81 Cb 0.00 -1.29 0.03 0.00 0.52 0.00 0.00 34.95 34.21 1jjj s ARG 81 CO 0.00 -0.17 1.00 0.21 0.02 0.00 0.00 175.30 176.36 1jjj s LYS 82 N 1.34 3.57 -0.27 3.54 2.47 -1.26 -2.12 119.74 127.02 1jjj s LYS 82 Ca -0.03 0.25 -0.01 0.00 -1.56 0.00 0.00 55.97 54.62 1jjj s LYS 82 Cb -0.14 -3.93 0.04 0.00 -1.46 0.00 0.00 37.83 32.34 1jjj s LYS 82 CO -0.03 -1.31 -0.06 0.95 0.16 0.00 0.00 175.35 175.06 1jjj s THR 83 N 4.02 2.75 -0.59 3.43 -4.23 -0.37 -4.84 115.64 115.81 1jjj s THR 83 Ca 0.40 -1.26 -0.27 0.00 -1.18 0.00 0.00 61.69 59.38 1jjj s THR 83 Cb -0.09 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.25 1jjj s THR 83 CO 0.27 0.07 1.78 -1.10 -0.54 0.00 0.00 174.62 175.11 1jjj s GLN 84 N 1.26 2.77 -0.15 3.99 -1.52 -0.21 -2.28 119.66 123.52 1jjj s GLN 84 Ca -0.03 0.61 0.01 0.00 -1.95 0.00 0.00 55.36 54.00 1jjj s GLN 84 Cb -0.18 -4.34 0.02 0.00 -0.22 0.00 0.00 33.01 28.29 1jjj s GLN 84 CO -0.04 -2.57 -0.17 0.99 -0.25 0.00 0.00 175.29 173.25 1jjj s THR 85 N 8.46 1.77 -0.17 -0.19 2.01 0.33 -1.75 115.64 126.10 1jjj s THR 85 Ca 0.65 -0.77 -0.20 0.00 0.31 0.00 0.00 61.69 61.68 1jjj s THR 85 Cb -0.13 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1jjj s THR 85 CO 0.22 0.49 0.56 0.54 -0.69 0.00 0.00 174.62 175.74 1jjj s VAL 86 N 1.20 5.09 -0.25 3.82 0.11 -0.49 -0.97 120.40 128.92 1jjj s VAL 86 Ca 0.00 1.08 -0.11 0.00 -2.93 0.00 0.00 61.98 60.02 1jjj s VAL 86 Cb -0.14 -3.89 -0.05 0.00 -1.53 0.00 0.00 36.38 30.77 1jjj s VAL 86 CO -0.08 0.20 0.19 0.00 -3.33 0.00 0.00 175.10 172.08 1jjj s ASN 88 N 1.25 1.10 -0.15 0.00 0.01 -0.76 -0.02 114.94 116.38 1jjj s ASN 88 Ca 0.08 -0.17 -0.15 0.00 -0.71 0.00 0.00 52.86 51.92 1jjj s ASN 88 Cb -0.14 -0.37 -0.05 0.00 0.41 0.00 0.00 41.25 41.10 1jjj s ASN 88 CO 0.06 0.03 0.33 0.12 -1.51 0.00 0.00 177.10 176.13 1jjj s PHE 89 N 0.42 3.48 -0.04 2.20 5.36 -1.26 -0.46 117.98 127.68 1jjj s PHE 89 Ca -0.06 0.66 -0.05 0.00 -0.96 0.00 0.00 56.93 56.52 1jjj s PHE 89 Cb -0.10 -2.37 0.01 0.00 -0.34 0.00 0.00 43.02 40.21 1jjj s PHE 89 CO 0.01 0.24 0.12 -0.08 -1.46 0.00 0.00 175.22 174.05 1jjj s THR 90 N 0.43 0.02 -1.40 0.12 -1.32 -0.51 -4.99 115.64 107.99 1jjj s THR 90 Ca 0.18 -0.13 -0.04 0.00 -1.21 0.00 0.00 61.69 60.49 1jjj s THR 90 Cb -0.13 -0.22 0.00 0.00 -1.51 0.00 0.00 72.50 70.64 1jjj s THR 90 CO 0.05 -0.07 0.56 0.47 -2.21 0.00 0.00 174.62 173.42 1jjj n ASP 91 N 2.74 -5.70 -0.92 8.08 9.92 -1.26 -1.28 116.55 128.12 1jjj n ASP 91 Ca -0.14 -0.26 -0.09 0.00 -0.53 0.00 0.00 54.79 53.76 1jjj n ASP 91 Cb 0.58 -4.53 -0.02 0.00 -0.64 0.00 0.00 41.12 36.52 1jjj n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jjj n GLY 92 N -1.46 0.45 3.09 0.44 0.00 -1.26 -4.94 105.19 101.50 1jjj n GLY 92 Ca -0.10 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 1jjj n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jjj s ALA 93 N -2.42 -0.57 -0.40 4.61 0.00 -0.40 -2.00 121.76 120.58 1jjj s ALA 93 Ca 0.00 0.81 -0.24 0.00 0.00 0.00 0.00 51.96 52.54 1jjj s ALA 93 Cb 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1jjj s ALA 93 CO 0.00 -0.15 0.81 -1.17 0.00 0.00 0.00 175.76 175.25 1jjj s LEU 94 N 0.63 4.13 -0.55 0.00 2.96 -0.82 -1.42 118.68 123.61 1jjj s LEU 94 Ca -0.04 0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 53.89 1jjj s LEU 94 Cb -0.05 -3.05 0.07 0.00 0.50 0.00 0.00 46.19 43.66 1jjj s LEU 94 CO -0.04 -0.83 0.69 -0.69 -1.32 0.00 0.00 176.35 174.16 1jjj s VAL 95 N 3.26 4.80 -0.48 1.68 1.01 0.39 -0.99 120.40 130.08 1jjj s VAL 95 Ca 0.32 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 1jjj s VAL 95 Cb -0.12 -4.41 0.09 0.00 0.00 0.00 0.00 36.38 31.94 1jjj s VAL 95 CO 0.20 -0.98 0.39 -1.58 0.00 0.00 0.00 175.10 173.12 1jjj s GLN 96 N 2.80 2.89 -0.49 2.72 0.74 -0.68 -1.83 119.66 125.80 1jjj s GLN 96 Ca 0.15 -1.46 -0.21 0.00 0.05 0.00 0.00 55.36 53.89 1jjj s GLN 96 Cb -0.21 -4.09 0.04 0.00 1.10 0.00 0.00 33.01 29.86 1jjj s GLN 96 CO 0.10 -1.08 0.72 -1.58 -0.55 0.00 0.00 175.29 172.89 1jjj s HIS 97 N 1.58 2.99 0.34 1.67 5.65 -0.55 -1.08 115.29 125.89 1jjj s HIS 97 Ca 0.04 -0.22 -0.26 0.00 0.25 0.00 0.00 55.06 54.87 1jjj s HIS 97 Cb -0.25 -3.61 -0.10 0.00 -1.18 0.00 0.00 32.58 27.43 1jjj s HIS 97 CO 0.05 -1.05 0.95 -0.65 -0.65 0.00 0.00 174.74 173.38 1jjj s GLN 98 N 3.04 4.53 -0.07 2.88 -0.21 0.52 -1.39 119.66 128.97 1jjj s GLN 98 Ca 0.22 1.32 -0.03 0.00 0.02 0.00 0.00 55.36 56.89 1jjj s GLN 98 Cb -0.16 -2.73 0.04 0.00 1.00 0.00 0.00 33.01 31.16 1jjj s GLN 98 CO 0.17 0.23 0.15 -2.00 -2.12 0.00 0.00 175.29 171.71 1jjj s GLU 99 N -2.17 0.05 -0.23 2.91 -6.30 -0.72 -2.35 118.70 109.90 1jjj s GLU 99 Ca 0.52 0.46 -0.11 0.00 -2.50 0.00 0.00 54.97 53.34 1jjj s GLU 99 Cb -0.18 -0.24 0.08 0.00 0.00 0.00 0.00 34.13 33.80 1jjj s GLU 99 CO 0.23 -0.24 0.52 1.67 0.02 0.00 0.00 175.26 177.46 1jjj s TRP 100 N 1.76 -0.90 -1.51 5.30 -2.14 -0.74 -1.05 118.94 119.67 1jjj s TRP 100 Ca -0.03 1.74 -0.08 0.00 2.66 0.00 0.00 56.10 60.40 1jjj s TRP 100 Cb -0.12 0.46 0.06 0.00 -3.10 0.00 0.00 33.47 30.78 1jjj s TRP 100 CO -0.06 -0.48 0.65 -3.47 -2.66 0.00 0.00 176.95 170.94 1jjj n ASP 101 N 4.76 -2.08 -1.94 -2.66 2.03 -1.26 -1.86 116.55 113.54 1jjj n ASP 101 Ca -0.17 -0.95 -0.19 0.00 0.52 0.00 0.00 54.79 54.00 1jjj n ASP 101 Cb 0.54 -3.19 -0.04 0.00 -0.72 0.00 0.00 41.12 37.71 1jjj n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 102 N -1.72 0.40 2.96 0.27 0.00 -1.26 -5.03 105.19 100.81 1jjj n GLY 102 Ca -0.13 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1jjj n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjj s LYS 103 N -4.48 1.17 0.12 1.61 1.02 -0.78 -5.16 119.74 113.25 1jjj s LYS 103 Ca 0.00 -0.25 0.09 0.00 0.02 0.00 0.00 55.97 55.83 1jjj s LYS 103 Cb 0.00 -1.05 -0.04 0.00 -0.52 0.00 0.00 37.83 36.22 1jjj s LYS 103 CO 0.00 -0.01 -0.19 -1.83 -0.92 0.00 0.00 175.35 172.40 1jjj s GLU 104 N 0.70 1.75 -0.02 1.68 1.03 -1.26 -1.79 118.70 120.79 1jjj s GLU 104 Ca -0.12 -1.20 0.00 0.00 0.03 0.00 0.00 54.97 53.69 1jjj s GLU 104 Cb -0.14 -2.09 0.02 0.00 -0.80 0.00 0.00 34.13 31.12 1jjj s GLU 104 CO 0.02 0.48 0.01 0.45 -1.33 0.00 0.00 175.26 174.89 1jjj s SER 105 N -2.15 0.18 -0.39 0.83 0.15 -0.99 -4.47 113.70 106.87 1jjj s SER 105 Ca 0.18 0.01 -0.11 0.00 0.70 0.00 0.00 55.95 56.72 1jjj s SER 105 Cb -0.10 -0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.14 1jjj s SER 105 CO 0.10 -0.09 0.22 0.42 1.20 0.00 0.00 173.24 175.09 1jjj s THR 106 N 0.84 4.61 -0.52 6.45 -4.23 -0.23 -0.35 115.64 122.20 1jjj s THR 106 Ca -0.08 -0.92 -0.18 0.00 -1.18 0.00 0.00 61.69 59.34 1jjj s THR 106 Cb -0.11 -3.61 0.07 0.00 1.34 0.00 0.00 72.50 70.20 1jjj s THR 106 CO -0.02 -0.28 0.60 -0.63 -0.54 0.00 0.00 174.62 173.74 1jjj s ILE 107 N 1.55 4.94 -0.50 2.99 -1.09 -0.24 -2.30 121.20 126.55 1jjj s ILE 107 Ca 0.02 -0.74 -0.15 0.00 -2.23 0.00 0.00 60.65 57.55 1jjj s ILE 107 Cb -0.20 -4.31 0.10 0.00 -1.58 0.00 0.00 42.46 36.47 1jjj s ILE 107 CO 0.06 -0.84 0.44 -0.89 -1.23 0.00 0.00 174.94 172.49 1jjj s THR 108 N 2.42 5.15 -0.92 2.92 2.01 -0.10 -1.69 115.64 125.43 1jjj s THR 108 Ca 0.12 -1.31 -0.13 0.00 0.31 0.00 0.00 61.69 60.68 1jjj s THR 108 Cb -0.22 -4.19 0.23 0.00 0.01 0.00 0.00 72.50 68.33 1jjj s THR 108 CO 0.09 -0.72 0.89 -0.13 -0.69 0.00 0.00 174.62 174.06 1jjj s ARG 109 N 1.60 3.78 -0.10 4.92 0.52 -0.16 -1.21 118.95 128.30 1jjj s ARG 109 Ca 0.04 -2.65 -0.01 0.00 -0.52 0.00 0.00 55.73 52.58 1jjj s ARG 109 Cb -0.27 -4.49 -0.03 0.00 0.52 0.00 0.00 34.95 30.68 1jjj s ARG 109 CO 0.04 -1.30 -0.06 -1.59 0.02 0.00 0.00 175.30 172.41 1jjj s LYS 110 N -0.13 3.12 -0.38 3.54 -2.85 -0.48 -1.94 119.74 120.61 1jjj s LYS 110 Ca 0.22 -0.54 -0.24 0.00 -1.00 0.00 0.00 55.97 54.42 1jjj s LYS 110 Cb -0.10 -2.71 0.01 0.00 -2.06 0.00 0.00 37.83 32.98 1jjj s LYS 110 CO -0.09 0.49 0.81 -1.17 0.10 0.00 0.00 175.35 175.50 1jjj s LEU 111 N -0.34 4.11 -0.03 2.77 1.98 -0.85 -0.76 118.68 125.57 1jjj s LEU 111 Ca 0.05 0.32 -0.01 0.00 -2.89 0.00 0.00 54.13 51.60 1jjj s LEU 111 Cb -0.12 -3.07 0.02 0.00 0.66 0.00 0.00 46.19 43.68 1jjj s LEU 111 CO 0.02 -0.80 0.06 -0.54 -1.89 0.00 0.00 176.35 173.21 1jjj s LYS 112 N 3.22 0.02 -1.39 1.98 1.02 -0.29 -4.93 119.74 119.39 1jjj s LYS 112 Ca 0.33 0.19 -0.08 0.00 0.02 0.00 0.00 55.97 56.42 1jjj s LYS 112 Cb -0.13 -0.14 0.01 0.00 -0.52 0.00 0.00 37.83 37.06 1jjj s LYS 112 CO 0.18 -0.11 1.09 -3.47 -0.92 0.00 0.00 175.35 172.13 1jjj n ASP 113 N 3.79 -6.35 -0.47 2.83 2.03 -1.26 -1.56 116.55 115.57 1jjj n ASP 113 Ca -0.22 -0.50 -0.06 0.00 0.52 0.00 0.00 54.79 54.53 1jjj n ASP 113 Cb 0.54 -5.01 -0.03 0.00 -0.72 0.00 0.00 41.12 35.90 1jjj n ASP 113 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 114 N -1.94 0.63 3.06 0.27 0.00 -1.26 -5.00 105.19 100.95 1jjj n GLY 114 Ca -0.01 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1jjj n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjj s LYS 115 N -2.37 0.71 -0.58 1.61 1.02 -0.60 -4.28 119.74 115.25 1jjj s LYS 115 Ca 0.00 -0.55 -0.23 0.00 0.02 0.00 0.00 55.97 55.22 1jjj s LYS 115 Cb 0.00 -0.65 0.05 0.00 -0.52 0.00 0.00 37.83 36.72 1jjj s LYS 115 CO 0.00 0.16 0.90 -1.17 -0.92 0.00 0.00 175.35 174.32 1jjj s LEU 116 N -0.82 4.32 -0.58 3.17 2.96 -0.13 -1.13 118.68 126.46 1jjj s LEU 116 Ca -0.00 -0.63 -0.22 0.00 -0.22 0.00 0.00 54.13 53.06 1jjj s LEU 116 Cb -0.06 -2.65 0.06 0.00 0.50 0.00 0.00 46.19 44.04 1jjj s LEU 116 CO 0.00 -1.24 0.84 -0.69 -1.32 0.00 0.00 176.35 173.94 1jjj s VAL 117 N 3.79 4.54 -0.63 1.68 1.01 0.06 -1.36 120.40 129.50 1jjj s VAL 117 Ca 0.26 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 1jjj s VAL 117 Cb -0.15 -4.52 0.13 0.00 0.00 0.00 0.00 36.38 31.84 1jjj s VAL 117 CO 0.15 -1.15 0.68 -0.69 0.00 0.00 0.00 175.10 174.09 1jjj s VAL 118 N 3.50 5.02 -0.46 2.92 1.01 0.08 -1.38 120.40 131.09 1jjj s VAL 118 Ca 0.21 -1.35 -0.17 0.00 0.00 0.00 0.00 61.98 60.68 1jjj s VAL 118 Cb -0.17 -4.46 0.05 0.00 0.00 0.00 0.00 36.38 31.80 1jjj s VAL 118 CO 0.13 -1.07 0.44 -1.61 0.00 0.00 0.00 175.10 172.99 1jjj s GLU 119 N 2.07 3.03 -0.23 2.72 2.02 -0.35 -1.43 118.70 126.54 1jjj s GLU 119 Ca 0.11 -1.09 -0.07 0.00 0.02 0.00 0.00 54.97 53.94 1jjj s GLU 119 Cb -0.23 -4.07 -0.03 0.00 0.10 0.00 0.00 34.13 29.90 1jjj s GLU 119 CO 0.03 -1.00 0.05 0.00 0.02 0.00 0.00 175.26 174.35 1jjj s VAL 121 N 1.36 1.87 0.00 0.00 0.11 -0.97 -1.18 120.40 121.59 1jjj s VAL 121 Ca 0.05 -0.98 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 1jjj s VAL 121 Cb -0.15 -1.58 0.00 0.00 -1.53 0.00 0.00 36.38 33.13 1jjj s VAL 121 CO 0.03 0.53 0.00 0.80 -3.33 0.00 0.00 175.10 173.12 1jjj n MET 122 N 2.81 0.00 0.06 1.54 1.56 -1.23 -1.07 117.12 120.78 1jjj n MET 122 Ca -0.17 0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.29 1jjj n MET 122 Cb 0.52 -0.50 0.00 0.00 2.15 0.00 0.00 33.22 35.39 1jjj n MET 122 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1jjj n ASN 123 N -0.64 0.91 -0.11 6.12 3.02 -1.26 -4.50 115.26 118.80 1jjj n ASN 123 Ca 0.00 0.17 -0.22 0.00 -0.03 0.00 0.00 54.58 54.50 1jjj n ASN 123 Cb 0.00 -0.24 -0.12 0.00 -0.61 0.00 0.00 39.78 38.81 1jjj n ASN 123 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1jjj n ASN 124 N -3.43 1.99 -4.68 6.41 3.02 -1.26 -5.04 115.26 112.28 1jjj n ASN 124 Ca 0.00 0.08 -0.36 0.00 -0.03 0.00 0.00 54.58 54.27 1jjj n ASN 124 Cb 0.00 -0.63 -0.09 0.00 -0.61 0.00 0.00 39.78 38.45 1jjj n ASN 124 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jjj s VAL 125 N -2.51 5.29 -0.07 2.41 1.01 -1.26 -5.08 120.40 120.19 1jjj s VAL 125 Ca -0.33 0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1jjj s VAL 125 Cb 0.10 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1jjj s VAL 125 CO 0.60 0.40 -0.07 0.42 0.00 0.00 0.00 175.10 176.45 1jjj s THR 126 N 0.68 3.67 -0.15 3.92 -4.23 -1.26 -3.57 115.64 114.70 1jjj s THR 126 Ca 0.07 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 60.05 1jjj s THR 126 Cb -0.12 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 1jjj s THR 126 CO 0.01 0.59 0.01 0.00 -0.54 0.00 0.00 174.62 174.69 1jjj s THR 128 N 0.10 3.86 -0.30 0.00 2.01 -0.52 -1.52 115.64 119.28 1jjj s THR 128 Ca 0.02 -1.34 -0.05 0.00 0.31 0.00 0.00 61.69 60.64 1jjj s THR 128 Cb -0.13 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.10 1jjj s THR 128 CO 0.02 -0.35 0.05 -0.13 -0.69 0.00 0.00 174.62 173.52 1jjj s ARG 129 N 1.38 2.89 -0.32 4.92 0.52 -0.51 -2.40 118.95 125.42 1jjj s ARG 129 Ca 0.01 -0.98 -0.20 0.00 -0.52 0.00 0.00 55.73 54.04 1jjj s ARG 129 Cb -0.21 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 1jjj s ARG 129 CO 0.02 -0.50 0.60 0.42 0.02 0.00 0.00 175.30 175.86 1jjj s ILE 130 N 1.42 4.95 -0.20 1.52 -1.09 -0.21 -0.74 121.20 126.85 1jjj s ILE 130 Ca 0.01 0.72 -0.05 0.00 -2.23 0.00 0.00 60.65 59.09 1jjj s ILE 130 Cb -0.18 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.68 1jjj s ILE 130 CO 0.01 -0.17 0.01 -0.31 -1.23 0.00 0.00 174.94 173.25 1jjj s TYR 131 N 2.57 3.07 0.07 3.97 1.51 -0.46 -1.78 117.35 126.30 1jjj s TYR 131 Ca 0.24 -0.37 -0.14 0.00 -1.01 0.00 0.00 57.07 55.79 1jjj s TYR 131 Cb -0.15 -2.09 -0.06 0.00 -0.11 0.00 0.00 41.96 39.55 1jjj s TYR 131 CO 0.12 -0.18 0.46 -1.83 -1.11 0.00 0.00 175.55 173.01 1jjj s GLU 132 N 0.93 3.92 -0.32 -0.62 4.04 -0.10 -0.96 118.70 125.60 1jjj s GLU 132 Ca 0.02 0.41 -0.28 0.00 0.04 0.00 0.00 54.97 55.16 1jjj s GLU 132 Cb -0.14 -3.09 0.01 0.00 0.02 0.00 0.00 34.13 30.93 1jjj s GLU 132 CO 0.02 0.60 1.01 0.21 -1.84 0.00 0.00 175.26 175.26 1jjj s LYS 133 N -1.53 4.02 -0.72 -4.83 2.20 -1.26 -0.98 119.74 116.64 1jjj s LYS 133 Ca 0.30 0.94 -0.13 0.00 -0.36 0.00 0.00 55.97 56.72 1jjj s LYS 133 Cb -0.16 -3.74 0.19 0.00 -1.51 0.00 0.00 37.83 32.61 1jjj s LYS 133 CO 0.17 -0.87 0.65 0.08 -0.36 0.00 0.00 175.35 175.02 1jjj s VAL 134 N 3.52 5.30 0.00 4.02 1.01 0.31 -5.02 120.40 129.53 1jjj s VAL 134 Ca 0.42 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1jjj s VAL 134 Cb -0.12 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1jjj s VAL 134 CO 0.15 -0.96 0.00 -1.84 0.00 0.00 0.00 175.10 172.45