#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjj n VAL 4 N 0.00 0.00 0.32 2.28 3.14 -1.26 -4.97 118.33 117.84 1jjj n VAL 4 Ca 0.00 0.00 0.19 0.00 -2.96 0.00 0.00 64.34 61.57 1jjj n VAL 4 Cb 0.00 -0.13 1.07 0.00 -1.06 0.00 0.00 33.84 33.71 1jjj n VAL 4 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1jjj h GLN 5 N 0.00 0.00 -0.22 1.45 4.20 -2.00 -2.01 115.11 116.53 1jjj h GLN 5 Ca 0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1jjj h GLN 5 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1jjj h GLN 5 CO 0.00 0.00 0.20 1.96 -0.67 0.00 0.00 178.83 180.32 1jjj h GLN 6 N 0.00 0.00 0.00 1.46 7.50 -1.95 -1.77 115.11 120.35 1jjj h GLN 6 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1jjj h GLN 6 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.55 1jjj h GLN 6 CO 0.00 0.00 0.00 1.28 -1.50 0.00 0.00 178.83 178.61 1jjj n LEU 7 N -4.04 0.39 -4.63 1.46 4.77 -0.76 -4.93 117.00 109.27 1jjj n LEU 7 Ca 0.02 0.58 -0.43 0.00 -0.03 0.00 0.00 56.01 56.16 1jjj n LEU 7 Cb 0.34 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1jjj n LEU 7 CO 0.30 -0.35 1.12 -0.70 -1.33 0.00 0.00 177.39 176.44 1jjj s GLU 8 N -3.15 3.87 0.00 3.23 -6.30 -0.67 -4.70 118.70 110.99 1jjj s GLU 8 Ca 0.07 1.14 0.00 0.00 -2.50 0.00 0.00 54.97 53.68 1jjj s GLU 8 Cb 0.11 -3.89 0.00 0.00 0.00 0.00 0.00 34.13 30.35 1jjj s GLU 8 CO 0.39 -1.17 0.00 0.41 0.02 0.00 0.00 175.26 174.90 1jjj n GLY 9 N 4.41 0.22 3.71 -1.50 0.00 -0.08 -5.01 105.19 106.95 1jjj n GLY 9 Ca 0.14 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.00 4.44 -0.18 1.61 3.52 -1.26 -1.32 118.95 123.76 1jjj s ARG 10 Ca 0.00 0.91 -0.00 0.00 -0.13 0.00 0.00 55.73 56.51 1jjj s ARG 10 Cb 0.00 -3.45 0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1jjj s ARG 10 CO 0.00 0.05 -0.06 -1.58 -0.81 0.00 0.00 175.30 172.89 1jjj s TRP 11 N 0.85 1.91 -0.04 5.12 0.52 -0.07 -0.38 118.94 126.85 1jjj s TRP 11 Ca 0.38 -1.24 -0.20 0.00 0.02 0.00 0.00 56.10 55.06 1jjj s TRP 11 Cb -0.18 -1.41 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 1jjj s TRP 11 CO 0.19 -0.66 0.55 0.50 0.02 0.00 0.00 176.95 177.55 1jjj s ARG 12 N 1.56 4.30 0.10 4.98 3.52 0.34 -0.39 118.95 133.37 1jjj s ARG 12 Ca -0.00 0.64 -0.31 0.00 -0.13 0.00 0.00 55.73 55.93 1jjj s ARG 12 Cb -0.16 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 29.80 1jjj s ARG 12 CO -0.08 0.31 1.24 -1.17 -0.81 0.00 0.00 175.30 174.79 1jjj s LEU 13 N 0.06 4.39 0.00 -0.88 2.96 -0.87 -1.26 118.68 123.08 1jjj s LEU 13 Ca 0.29 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 56.33 1jjj s LEU 13 Cb -0.17 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1jjj s LEU 13 CO 0.15 -0.48 0.00 1.33 -1.32 0.00 0.00 176.35 176.02 1jjj n VAL 14 N 3.63 0.00 -3.31 1.68 0.24 -0.51 -4.85 118.33 115.21 1jjj n VAL 14 Ca 0.08 0.06 -0.37 0.00 -2.04 0.00 0.00 64.34 62.07 1jjj n VAL 14 Cb 0.45 -0.92 -0.06 0.00 -1.47 0.00 0.00 33.84 31.85 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 -3.01 6.96 -0.36 -1.34 2.15 -1.23 -4.97 116.67 114.87 1jjj s ASP 15 Ca 0.00 1.19 0.13 0.00 0.43 0.00 0.00 52.55 54.30 1jjj s ASP 15 Cb 0.00 -2.33 0.41 0.00 -0.30 0.00 0.00 42.92 40.70 1jjj s ASP 15 CO 0.00 0.20 1.07 -0.24 -0.17 0.00 0.00 175.17 176.03 1jjj n SER 16 N 1.33 -0.01 -4.73 -0.34 2.88 -1.26 -1.02 113.62 110.48 1jjj n SER 16 Ca -0.08 -2.74 -0.41 0.00 -1.33 0.00 0.00 58.87 54.30 1jjj n SER 16 Cb 0.51 0.15 -0.04 0.00 -0.75 0.00 0.00 64.21 64.08 1jjj n SER 16 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1jjj s LYS 17 N -1.70 4.70 0.00 -1.46 -2.85 -1.16 -2.99 119.74 114.28 1jjj s LYS 17 Ca 0.27 1.46 0.00 0.00 -1.00 0.00 0.00 55.97 56.70 1jjj s LYS 17 Cb 0.41 -3.37 0.00 0.00 -2.06 0.00 0.00 37.83 32.81 1jjj s LYS 17 CO -0.02 0.22 0.00 0.41 0.10 0.00 0.00 175.35 176.05 1jjj n GLY 18 N 2.22 2.11 0.21 0.59 0.00 -1.26 -1.76 105.19 107.30 1jjj n GLY 18 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 0.87 -0.26 1.61 3.57 -1.78 -1.80 116.94 119.15 1jjj h PHE 19 Ca 0.00 -0.29 0.06 0.00 3.53 0.00 0.00 57.97 61.27 1jjj h PHE 19 Cb 0.00 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.50 1jjj h PHE 19 CO 0.00 1.06 -0.16 0.22 -2.23 0.00 0.00 178.31 177.19 1jjj h ASP 20 N 0.43 -0.54 -0.96 0.41 3.58 -1.95 -1.99 116.42 115.41 1jjj h ASP 20 Ca 0.03 0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.61 1jjj h ASP 20 Cb 0.97 0.28 -0.05 0.00 1.72 0.00 0.00 39.33 42.25 1jjj h ASP 20 CO 0.09 -0.20 0.64 -0.33 -2.88 0.00 0.00 179.24 176.55 1jjj h GLU 21 N -0.14 1.25 -0.42 0.28 4.39 -1.95 -2.41 114.58 115.58 1jjj h GLU 21 Ca 0.14 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.79 1jjj h GLU 21 Cb 0.36 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1jjj h GLU 21 CO -0.35 0.83 0.23 -0.92 -1.16 0.00 0.00 179.01 177.64 1jjj h TYR 22 N 1.29 0.44 0.00 4.33 3.20 -1.14 -2.25 116.97 122.84 1jjj h TYR 22 Ca 0.36 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 1jjj h TYR 22 Cb -0.12 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.01 1jjj h TYR 22 CO -0.00 0.25 -0.06 0.00 -1.64 0.00 0.00 178.16 176.71 1jjj h MET 23 N 0.47 0.00 0.21 1.82 -0.00 -1.29 -0.56 114.93 115.58 1jjj h MET 23 Ca 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.87 1jjj h MET 23 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.62 1jjj h MET 23 CO -0.09 0.06 -0.16 -0.22 -0.00 0.00 0.00 176.91 176.50 1jjj h LYS 24 N 0.00 -0.36 -0.70 -0.10 3.64 -1.15 -2.59 116.57 115.31 1jjj h LYS 24 Ca -0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1jjj h LYS 24 Cb 0.15 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1jjj h LYS 24 CO 0.01 -0.24 0.36 1.49 -2.27 0.00 0.00 179.45 178.80 1jjj h GLU 25 N -0.37 0.99 -0.97 1.90 4.81 -0.95 -3.16 114.58 116.84 1jjj h GLU 25 Ca -0.01 -0.13 0.15 0.00 -0.13 0.00 0.00 59.36 59.24 1jjj h GLU 25 Cb 0.33 -0.19 -0.09 0.00 0.63 0.00 0.00 28.75 29.44 1jjj h GLU 25 CO -0.00 0.77 0.61 -0.07 -0.73 0.00 0.00 179.01 179.58 1jjj h LEU 26 N 0.97 0.77 -0.74 1.64 3.38 -1.23 -3.48 115.31 116.61 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 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1jjj h LEU 26 CO -0.03 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1jjj n GLY 27 N -1.38 0.74 3.38 0.83 0.00 -1.19 -5.11 105.19 102.45 1jjj n GLY 27 Ca 0.20 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.25 3.01 0.79 1.61 1.01 -0.98 -5.03 120.40 118.56 1jjj s VAL 28 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1jjj s VAL 28 Cb 0.00 -2.25 0.07 0.00 0.00 0.00 0.00 36.38 34.20 1jjj s VAL 28 CO 0.00 0.53 1.12 -0.83 0.00 0.00 0.00 175.10 175.92 1jjj s GLY 29 N 0.24 1.82 0.15 4.51 0.00 -1.26 -4.67 107.32 108.11 1jjj s GLY 29 Ca -0.09 0.46 -0.17 0.00 0.00 0.00 0.00 44.72 44.91 1jjj s GLY 29 CO 0.05 0.83 1.71 0.16 0.00 0.00 0.00 173.10 175.85 1jjj h ILE 30 N -1.06 0.78 -0.66 0.90 -0.00 -2.00 0.15 117.51 115.62 1jjj h ILE 30 Ca -0.44 -0.04 -0.01 0.00 -0.00 0.00 0.00 64.86 64.37 1jjj h ILE 30 Cb 1.25 0.67 -0.03 0.00 -0.00 0.00 0.00 36.82 38.71 1jjj h ILE 30 CO 0.49 0.02 0.36 0.00 -0.00 0.00 0.00 178.15 179.02 1jjj h ALA 31 N 1.26 0.84 -0.83 0.16 0.00 -1.99 -1.82 119.26 116.88 1jjj h ALA 31 Ca 0.15 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1jjj h ALA 31 Cb 0.20 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1jjj h ALA 31 CO -0.24 0.36 0.54 -0.07 0.00 0.00 0.00 179.25 179.83 1jjj h LEU 32 N 0.90 0.90 0.10 0.00 3.38 -1.82 -1.15 115.31 117.62 1jjj h LEU 32 Ca 0.23 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1jjj h LEU 32 Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1jjj h LEU 32 CO -0.04 0.63 -0.05 0.03 0.09 0.00 0.00 178.44 179.11 1jjj h ARG 33 N 1.06 -0.13 -0.44 1.13 3.08 -0.64 0.34 114.38 118.79 1jjj h ARG 33 Ca 0.32 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.45 1jjj h ARG 33 Cb -0.03 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1jjj h ARG 33 CO -0.10 -0.03 0.10 -0.22 -1.07 0.00 0.00 179.97 178.65 1jjj h LYS 34 N -0.20 0.23 0.43 0.04 3.64 -1.33 -0.91 116.57 118.46 1jjj h LYS 34 Ca -0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1jjj h LYS 34 Cb 0.16 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1jjj h LYS 34 CO 0.02 0.15 -0.48 1.98 -2.27 0.00 0.00 179.45 178.85 1jjj h MET 35 N 0.24 -0.89 -0.98 1.90 4.05 -1.23 -3.10 114.93 114.92 1jjj h MET 35 Ca 0.21 0.06 0.05 0.00 -0.28 0.00 0.00 59.70 59.75 1jjj h MET 35 Cb 0.26 0.20 -0.06 0.00 -0.80 0.00 0.00 31.60 31.20 1jjj h MET 35 CO -0.27 -0.59 0.63 0.78 0.23 0.00 0.00 176.91 177.69 1jjj h GLY 36 N -0.92 1.46 0.92 1.39 0.00 -0.83 -0.47 103.07 104.62 1jjj h GLY 36 Ca -0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 1jjj h GLY 36 CO -0.09 0.37 0.09 0.00 0.00 0.00 0.00 176.54 176.90 1jjj h ALA 37 N 1.43 0.47 0.00 3.60 0.00 -1.28 -3.31 119.26 120.16 1jjj h ALA 37 Ca 0.41 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1jjj h ALA 37 Cb 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1jjj h ALA 37 CO -0.15 0.14 -0.90 0.00 0.00 0.00 0.00 179.25 178.34 1jjj h MET 38 N 0.43 0.00 -6.39 0.00 3.00 -1.51 -3.47 114.93 106.99 1jjj h MET 38 Ca 0.11 0.00 -0.54 0.00 0.00 0.00 0.00 59.70 59.28 1jjj h MET 38 Cb 0.30 0.00 0.01 0.00 0.00 0.00 0.00 31.60 31.92 1jjj h MET 38 CO 0.00 0.90 1.05 0.00 0.00 0.00 0.00 176.91 178.86 1jjj s ALA 39 N -2.92 3.66 -0.41 -3.00 0.00 -0.19 -5.02 121.76 113.88 1jjj s ALA 39 Ca 0.01 1.16 -0.12 0.00 0.00 0.00 0.00 51.96 53.00 1jjj s ALA 39 Cb 0.11 -3.73 0.05 0.00 0.00 0.00 0.00 23.12 19.55 1jjj s ALA 39 CO 0.80 -1.23 0.27 0.21 0.00 0.00 0.00 175.76 175.81 1jjj s LYS 40 N 3.20 2.82 0.12 0.00 2.47 -1.26 -4.94 119.74 122.15 1jjj s LYS 40 Ca 0.76 -1.22 -0.11 0.00 -1.56 0.00 0.00 55.97 53.83 1jjj s LYS 40 Cb -0.39 -3.86 -0.06 0.00 -1.46 0.00 0.00 37.83 32.06 1jjj s LYS 40 CO 0.33 -0.83 0.47 -1.25 0.16 0.00 0.00 175.35 174.23 1jjj s PRO 41 N 1.56 3.85 -0.60 4.03 0.04 -1.26 -4.55 135.00 138.06 1jjj s PRO 41 Ca 0.03 0.30 -0.20 0.00 0.04 0.00 0.00 61.00 61.17 1jjj s PRO 41 Cb -0.21 -2.93 0.09 0.00 0.04 0.00 0.00 34.50 31.49 1jjj s PRO 41 CO 0.06 0.50 0.77 -0.51 0.04 0.00 0.00 177.00 177.86 1jjj s ASP 42 N -1.83 6.19 -0.39 6.66 1.11 0.02 -2.04 116.67 126.38 1jjj s ASP 42 Ca 0.37 -1.26 -0.20 0.00 0.18 0.00 0.00 52.55 51.64 1jjj s ASP 42 Cb -0.14 -2.34 0.01 0.00 1.07 0.00 0.00 42.92 41.53 1jjj s ASP 42 CO 0.19 -1.19 0.63 0.00 1.18 0.00 0.00 175.17 175.98 1jjj s ILE 44 N 2.75 4.19 -0.39 0.00 1.01 0.14 -0.89 121.20 128.01 1jjj s ILE 44 Ca 0.23 0.36 -0.15 0.00 0.00 0.00 0.00 60.65 61.10 1jjj s ILE 44 Cb -0.14 -4.66 0.01 0.00 0.01 0.00 0.00 42.46 37.68 1jjj s ILE 44 CO 0.17 -1.32 0.29 -0.63 0.00 0.00 0.00 174.94 173.45 1jjj s ILE 45 N 4.46 5.26 -0.35 2.92 1.01 -0.43 -1.02 121.20 133.05 1jjj s ILE 45 Ca 0.33 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1jjj s ILE 45 Cb -0.11 -3.88 0.09 0.00 0.01 0.00 0.00 42.46 38.57 1jjj s ILE 45 CO 0.19 -0.23 0.07 -0.89 0.00 0.00 0.00 174.94 174.08 1jjj s THR 46 N 1.72 2.67 -0.59 2.92 2.01 0.11 -0.90 115.64 123.59 1jjj s THR 46 Ca 0.06 -2.05 -0.02 0.00 0.31 0.00 0.00 61.69 59.99 1jjj s THR 46 Cb -0.18 -2.82 0.15 0.00 0.01 0.00 0.00 72.50 69.65 1jjj s THR 46 CO 0.10 -0.50 0.38 0.00 -0.69 0.00 0.00 174.62 173.92 1jjj n ASP 48 N 3.53 6.65 0.00 0.00 8.00 -0.50 -4.39 116.55 129.85 1jjj n ASP 48 Ca 0.06 -3.28 0.00 0.00 0.71 0.00 0.00 54.79 52.29 1jjj n ASP 48 Cb 0.37 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 1jjj n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 49 N 1.69 1.07 0.69 0.44 0.00 -1.26 -3.95 105.19 103.88 1jjj n GLY 49 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1jjj n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jjj n LYS 50 N 0.00 0.00 -2.34 1.61 4.76 -1.26 -4.88 118.16 116.05 1jjj n LYS 50 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 1jjj n LYS 50 Cb 0.00 -0.64 -0.03 0.00 -1.84 0.00 0.00 35.03 32.52 1jjj n LYS 50 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jjj s ASN 51 N -4.62 7.06 -0.15 4.39 4.22 -1.25 -0.21 114.94 124.39 1jjj s ASN 51 Ca 0.00 2.36 -0.04 0.00 -2.14 0.00 0.00 52.86 53.04 1jjj s ASN 51 Cb 0.00 -2.62 0.05 0.00 1.28 0.00 0.00 41.25 39.96 1jjj s ASN 51 CO 0.00 -0.35 0.07 -0.22 -2.04 0.00 0.00 177.10 174.56 1jjj s LEU 52 N -0.93 0.50 -0.18 3.54 0.20 -0.19 -1.40 118.68 120.22 1jjj s LEU 52 Ca 0.50 -0.51 -0.01 0.00 0.69 0.00 0.00 54.13 54.80 1jjj s LEU 52 Cb -0.34 -0.31 -0.00 0.00 -0.43 0.00 0.00 46.19 45.10 1jjj s LEU 52 CO 0.42 -0.31 -0.11 -0.89 -0.29 0.00 0.00 176.35 175.16 1jjj s THR 53 N 2.07 2.92 -0.30 3.68 2.01 -0.13 -0.53 115.64 125.36 1jjj s THR 53 Ca 0.02 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 1jjj s THR 53 Cb -0.15 -2.27 0.06 0.00 0.01 0.00 0.00 72.50 70.14 1jjj s THR 53 CO -0.08 0.49 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.70 1jjj s ILE 54 N 1.04 2.83 -0.38 1.82 1.01 -0.40 -0.72 121.20 126.40 1jjj s ILE 54 Ca -0.01 -1.50 -0.02 0.00 0.00 0.00 0.00 60.65 59.12 1jjj s ILE 54 Cb -0.15 -2.67 0.10 0.00 0.01 0.00 0.00 42.46 39.75 1jjj s ILE 54 CO -0.02 -0.14 0.15 -0.75 0.00 0.00 0.00 174.94 174.18 1jjj s LYS 55 N 1.21 2.00 -0.40 2.79 2.20 -0.19 -1.41 119.74 125.93 1jjj s LYS 55 Ca -0.05 -1.74 -0.24 0.00 -0.36 0.00 0.00 55.97 53.59 1jjj s LYS 55 Cb -0.20 -3.47 0.02 0.00 -1.51 0.00 0.00 37.83 32.67 1jjj s LYS 55 CO -0.02 -0.98 0.82 0.99 -0.36 0.00 0.00 175.35 175.79 1jjj s THR 56 N 1.13 4.66 -0.41 3.43 2.01 -0.07 -0.69 115.64 125.70 1jjj s THR 56 Ca 0.06 0.76 -0.04 0.00 0.31 0.00 0.00 61.69 62.78 1jjj s THR 56 Cb -0.22 -4.29 0.11 0.00 0.01 0.00 0.00 72.50 68.11 1jjj s THR 56 CO -0.04 -0.59 0.21 -1.61 -0.69 0.00 0.00 174.62 171.91 1jjj s GLU 57 N 3.29 2.09 0.22 4.92 2.02 -0.49 -1.57 118.70 129.17 1jjj s GLU 57 Ca 0.32 -1.78 0.10 0.00 0.02 0.00 0.00 54.97 53.63 1jjj s GLU 57 Cb -0.12 -3.61 -0.05 0.00 0.10 0.00 0.00 34.13 30.45 1jjj s GLU 57 CO 0.20 -1.06 -0.18 0.45 0.02 0.00 0.00 175.26 174.69 1jjj s SER 58 N 1.90 3.01 0.14 -0.19 0.15 -0.89 -0.80 113.70 117.02 1jjj s SER 58 Ca 0.07 -0.97 -0.16 0.00 0.70 0.00 0.00 55.95 55.59 1jjj s SER 58 Cb -0.23 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 1jjj s SER 58 CO -0.03 -0.04 1.68 0.71 1.20 0.00 0.00 173.24 176.75 1jjj h THR 59 N 2.69 1.20 -0.60 6.45 1.35 -1.98 -3.11 112.91 118.90 1jjj h THR 59 Ca -0.40 -0.62 -0.06 0.00 -0.55 0.00 0.00 66.41 64.78 1jjj h THR 59 Cb 1.23 0.83 -0.03 0.00 -1.73 0.00 0.00 68.15 68.46 1jjj h THR 59 CO 0.57 0.23 0.15 -0.07 -0.25 0.00 0.00 175.52 176.15 1jjj h LEU 60 N 0.53 0.88 -7.26 3.87 3.38 -1.97 -3.44 115.31 111.30 1jjj h LEU 60 Ca 0.14 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1jjj h LEU 60 Cb 0.20 -0.23 -0.27 0.00 0.09 0.00 0.00 40.66 40.44 1jjj h LEU 60 CO -0.01 0.86 -0.35 -0.75 0.09 0.00 0.00 178.44 178.28 1jjj s LYS 61 N -5.24 0.34 -0.10 1.13 2.47 -1.21 -5.10 119.74 112.03 1jjj s LYS 61 Ca -0.11 0.70 0.01 0.00 -1.56 0.00 0.00 55.97 55.02 1jjj s LYS 61 Cb 0.15 -0.04 -0.02 0.00 -1.46 0.00 0.00 37.83 36.47 1jjj s LYS 61 CO 0.82 -0.15 -0.13 0.99 0.16 0.00 0.00 175.35 177.03 1jjj s THR 62 N 1.29 3.08 -0.21 3.43 2.01 -1.18 -2.10 115.64 121.96 1jjj s THR 62 Ca -0.09 -0.68 -0.19 0.00 0.31 0.00 0.00 61.69 61.04 1jjj s THR 62 Cb -0.09 -2.26 0.06 0.00 0.01 0.00 0.00 72.50 70.22 1jjj s THR 62 CO -0.11 0.55 0.56 -0.89 -0.69 0.00 0.00 174.62 174.04 1jjj s THR 63 N -0.06 -0.00 0.15 -0.82 2.01 -0.61 -5.00 115.64 111.31 1jjj s THR 63 Ca -0.02 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.03 1jjj s THR 63 Cb -0.14 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1jjj s THR 63 CO 0.04 0.00 -0.12 0.00 -0.69 0.00 0.00 174.62 173.85 1jjj s GLN 64 N 0.34 1.11 -0.04 4.92 1.03 -1.26 -0.89 119.66 124.87 1jjj s GLN 64 Ca -0.00 -1.42 -0.03 0.00 0.04 0.00 0.00 55.36 53.95 1jjj s GLN 64 Cb -0.04 -0.81 0.02 0.00 0.03 0.00 0.00 33.01 32.20 1jjj s GLN 64 CO 0.00 0.13 0.09 -0.59 -2.54 0.00 0.00 175.29 172.38 1jjj s PHE 65 N -2.89 -0.09 -0.39 9.60 -0.12 -0.50 -5.00 117.98 118.58 1jjj s PHE 65 Ca 0.16 0.26 -0.06 0.00 -0.05 0.00 0.00 56.93 57.24 1jjj s PHE 65 Cb -0.00 -0.01 0.08 0.00 -0.63 0.00 0.00 43.02 42.45 1jjj s PHE 65 CO 0.03 -0.07 0.18 -1.54 -0.05 0.00 0.00 175.22 173.77 1jjj s SER 66 N 0.32 5.38 0.00 1.98 1.04 -1.26 -1.27 113.70 119.89 1jjj s SER 66 Ca -0.02 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.87 1jjj s SER 66 Cb -0.03 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.20 1jjj s SER 66 CO -0.01 -0.46 0.00 0.00 0.98 0.00 0.00 173.24 173.74 1jjj s THR 68 N 0.99 0.68 0.41 0.00 2.01 -1.26 -1.02 115.64 117.44 1jjj s THR 68 Ca 0.00 -0.93 -0.23 0.00 0.31 0.00 0.00 61.69 60.84 1jjj s THR 68 Cb 0.00 -0.68 -0.10 0.00 0.01 0.00 0.00 72.50 71.73 1jjj s THR 68 CO 0.00 -0.21 0.98 -0.22 -0.69 0.00 0.00 174.62 174.48 1jjj s LEU 69 N -1.25 4.06 -1.37 4.42 2.96 0.71 -4.19 118.68 124.02 1jjj s LEU 69 Ca -0.05 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.67 1jjj s LEU 69 Cb -0.08 -4.36 0.00 0.00 0.50 0.00 0.00 46.19 42.25 1jjj s LEU 69 CO 0.01 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.28 1jjj n GLY 70 N -0.14 0.02 3.33 7.98 0.00 0.87 -4.94 105.19 112.30 1jjj n GLY 70 Ca 0.06 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1jjj n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jjj s GLU 71 N -4.54 0.54 -0.21 1.61 2.12 -1.26 -5.00 118.70 111.96 1jjj s GLU 71 Ca 0.00 0.53 -0.17 0.00 0.36 0.00 0.00 54.97 55.69 1jjj s GLU 71 Cb 0.00 0.26 -0.04 0.00 0.26 0.00 0.00 34.13 34.61 1jjj s GLU 71 CO 0.00 -0.08 0.44 0.21 -0.54 0.00 0.00 175.26 175.29 1jjj s LYS 72 N 0.06 4.16 0.11 4.30 2.20 -1.26 -2.71 119.74 126.61 1jjj s LYS 72 Ca -0.01 0.27 0.05 0.00 -0.36 0.00 0.00 55.97 55.91 1jjj s LYS 72 Cb -0.03 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1jjj s LYS 72 CO 0.01 -0.11 -0.12 -0.59 -0.36 0.00 0.00 175.35 174.18 1jjj s PHE 73 N 1.52 1.25 -0.70 4.03 -0.12 -0.50 -4.92 117.98 118.54 1jjj s PHE 73 Ca 0.21 -0.58 -0.27 0.00 -0.05 0.00 0.00 56.93 56.23 1jjj s PHE 73 Cb -0.15 -0.67 0.03 0.00 -0.63 0.00 0.00 43.02 41.60 1jjj s PHE 73 CO 0.09 0.08 1.26 -2.00 -0.05 0.00 0.00 175.22 174.59 1jjj s GLU 74 N -2.61 3.26 -0.85 1.99 2.12 -1.26 -0.68 118.70 120.66 1jjj s GLU 74 Ca 0.06 -0.14 -0.22 0.00 0.36 0.00 0.00 54.97 55.03 1jjj s GLU 74 Cb -0.05 -4.15 0.08 0.00 0.26 0.00 0.00 34.13 30.28 1jjj s GLU 74 CO 0.02 -2.05 1.18 -2.00 -0.54 0.00 0.00 175.26 171.88 1jjj s GLU 75 N 5.55 3.40 -0.82 4.30 2.12 -0.02 -4.86 118.70 128.38 1jjj s GLU 75 Ca 0.37 -1.12 -0.25 0.00 0.36 0.00 0.00 54.97 54.33 1jjj s GLU 75 Cb -0.08 -4.73 0.05 0.00 0.26 0.00 0.00 34.13 29.63 1jjj s GLU 75 CO 0.17 -1.95 1.28 0.99 -0.54 0.00 0.00 175.26 175.21 1jjj s THR 76 N 4.10 3.92 0.58 -1.70 2.01 -1.26 -1.65 115.64 121.64 1jjj s THR 76 Ca 0.33 -0.14 -0.17 0.00 0.31 0.00 0.00 61.69 62.02 1jjj s THR 76 Cb -0.07 -4.92 -0.04 0.00 0.01 0.00 0.00 72.50 67.48 1jjj s THR 76 CO -0.01 -1.81 1.10 0.42 -0.69 0.00 0.00 174.62 173.64 1jjj s THR 77 N 5.12 3.37 0.54 -0.82 -4.23 -0.81 -4.95 115.64 113.86 1jjj s THR 77 Ca 0.36 0.75 0.32 0.00 -1.18 0.00 0.00 61.69 61.94 1jjj s THR 77 Cb -0.07 -3.26 0.48 0.00 1.34 0.00 0.00 72.50 70.99 1jjj s THR 77 CO 0.06 -0.29 1.89 0.00 -0.54 0.00 0.00 174.62 175.74 1jjj h ALA 78 N 0.74 2.85 -0.80 3.99 0.00 -1.95 -1.25 119.26 122.83 1jjj h ALA 78 Ca -0.48 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.49 1jjj h ALA 78 Cb 1.24 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 1jjj h ALA 78 CO 0.56 -1.10 0.44 -0.44 0.00 0.00 0.00 179.25 178.71 1jjj h ASP 79 N 0.00 0.62 0.00 0.00 5.19 -2.00 -3.48 116.42 116.75 1jjj h ASP 79 Ca 0.43 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.89 1jjj h ASP 79 Cb 1.71 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 41.16 1jjj h ASP 79 CO -0.01 0.35 0.00 0.61 -3.12 0.00 0.00 179.24 177.07 1jjj n GLY 80 N -1.32 2.20 3.61 2.75 0.00 -0.47 -5.09 105.19 106.88 1jjj n GLY 80 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.02 3.69 -0.53 1.61 0.52 -1.26 -4.84 118.95 118.12 1jjj s ARG 81 Ca 0.00 1.12 -0.14 0.00 -0.52 0.00 0.00 55.73 56.20 1jjj s ARG 81 Cb 0.00 -3.99 0.13 0.00 0.52 0.00 0.00 34.95 31.61 1jjj s ARG 81 CO 0.00 -1.41 0.46 -1.59 0.02 0.00 0.00 175.30 172.78 1jjj s LYS 82 N 4.70 2.84 -0.08 3.54 -2.85 -1.26 -1.92 119.74 124.72 1jjj s LYS 82 Ca 0.61 -1.77 -0.06 0.00 -1.00 0.00 0.00 55.97 53.75 1jjj s LYS 82 Cb -0.16 -4.18 -0.04 0.00 -2.06 0.00 0.00 37.83 31.39 1jjj s LYS 82 CO 0.29 -1.28 0.17 0.95 0.10 0.00 0.00 175.35 175.58 1jjj s THR 83 N 1.44 5.46 -1.03 3.79 -4.23 -0.66 -4.81 115.64 115.60 1jjj s THR 83 Ca 0.05 0.14 -0.23 0.00 -1.18 0.00 0.00 61.69 60.47 1jjj s THR 83 Cb -0.28 -3.46 0.03 0.00 1.34 0.00 0.00 72.50 70.13 1jjj s THR 83 CO 0.01 0.53 1.60 -1.10 -0.54 0.00 0.00 174.62 175.12 1jjj s GLN 84 N -1.31 3.38 -0.35 3.99 1.11 0.45 -0.84 119.66 126.09 1jjj s GLN 84 Ca 0.19 -1.05 -0.15 0.00 0.01 0.00 0.00 55.36 54.36 1jjj s GLN 84 Cb -0.12 -5.31 -0.01 0.00 -1.01 0.00 0.00 33.01 26.55 1jjj s GLN 84 CO 0.09 -2.52 0.37 0.99 0.01 0.00 0.00 175.29 174.22 1jjj s THR 85 N 6.18 5.16 -0.26 -0.19 2.01 0.14 -2.06 115.64 126.62 1jjj s THR 85 Ca 0.53 -0.02 -0.20 0.00 0.31 0.00 0.00 61.69 62.31 1jjj s THR 85 Cb -0.01 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 1jjj s THR 85 CO -0.05 -0.14 0.59 0.54 -0.69 0.00 0.00 174.62 174.87 1jjj s VAL 86 N 2.02 5.01 -0.37 3.82 0.11 -0.90 -1.40 120.40 128.69 1jjj s VAL 86 Ca 0.12 1.04 -0.15 0.00 -2.93 0.00 0.00 61.98 60.05 1jjj s VAL 86 Cb -0.17 -3.90 -0.00 0.00 -1.53 0.00 0.00 36.38 30.78 1jjj s VAL 86 CO 0.12 0.04 0.33 0.00 -3.33 0.00 0.00 175.10 172.26 1jjj s ASN 88 N 1.73 2.50 -0.09 0.00 0.01 -0.42 -0.09 114.94 118.58 1jjj s ASN 88 Ca 0.09 -0.40 -0.26 0.00 -0.71 0.00 0.00 52.86 51.58 1jjj s ASN 88 Cb -0.17 -0.27 -0.03 0.00 0.41 0.00 0.00 41.25 41.19 1jjj s ASN 88 CO 0.11 0.25 0.82 0.12 -1.51 0.00 0.00 177.10 176.90 1jjj s PHE 89 N -0.53 3.53 -0.06 2.20 5.36 -1.26 -0.85 117.98 126.37 1jjj s PHE 89 Ca 0.08 1.36 -0.08 0.00 -0.96 0.00 0.00 56.93 57.33 1jjj s PHE 89 Cb -0.08 -2.97 0.02 0.00 -0.34 0.00 0.00 43.02 39.65 1jjj s PHE 89 CO -0.01 -0.07 0.21 -0.08 -1.46 0.00 0.00 175.22 173.82 1jjj s THR 90 N 1.40 0.02 -1.19 0.12 -1.32 -0.20 -4.97 115.64 109.50 1jjj s THR 90 Ca 0.41 -0.13 -0.05 0.00 -1.21 0.00 0.00 61.69 60.71 1jjj s THR 90 Cb -0.18 -0.35 0.01 0.00 -1.51 0.00 0.00 72.50 70.47 1jjj s THR 90 CO 0.18 -0.07 1.02 0.47 -2.21 0.00 0.00 174.62 174.01 1jjj n ASP 91 N 2.63 -4.59 -1.41 8.08 9.92 -1.26 -1.51 116.55 128.41 1jjj n ASP 91 Ca -0.15 -0.52 -0.16 0.00 -0.53 0.00 0.00 54.79 53.44 1jjj n ASP 91 Cb 0.58 -4.66 -0.04 0.00 -0.64 0.00 0.00 41.12 36.36 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 -1.61 0.89 3.24 0.44 0.00 -1.26 -4.92 105.19 101.98 1jjj n GLY 92 Ca -0.09 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.65 -0.81 -0.40 4.61 0.00 -0.57 -1.20 121.76 120.73 1jjj s ALA 93 Ca 0.00 0.44 -0.22 0.00 0.00 0.00 0.00 51.96 52.18 1jjj s ALA 93 Cb 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1jjj s ALA 93 CO 0.00 -0.25 0.72 -1.17 0.00 0.00 0.00 175.76 175.06 1jjj s LEU 94 N -1.10 4.27 -0.17 0.00 2.96 -0.91 -1.03 118.68 122.69 1jjj s LEU 94 Ca -0.11 0.03 -0.21 0.00 -0.22 0.00 0.00 54.13 53.62 1jjj s LEU 94 Cb -0.05 -2.89 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 1jjj s LEU 94 CO 0.04 -0.76 0.61 0.54 -1.32 0.00 0.00 176.35 175.46 1jjj s VAL 95 N 3.01 5.05 -0.37 1.68 0.11 -0.03 -0.98 120.40 128.87 1jjj s VAL 95 Ca 0.27 1.17 -0.02 0.00 -2.93 0.00 0.00 61.98 60.48 1jjj s VAL 95 Cb -0.13 -3.93 0.09 0.00 -1.53 0.00 0.00 36.38 30.87 1jjj s VAL 95 CO 0.19 0.16 0.13 -1.58 -3.33 0.00 0.00 175.10 170.67 1jjj s GLN 96 N 1.57 2.08 -0.73 1.54 0.74 -0.44 -1.30 119.66 123.12 1jjj s GLN 96 Ca 0.29 -1.66 -0.15 0.00 0.05 0.00 0.00 55.36 53.90 1jjj s GLN 96 Cb -0.16 -3.43 0.18 0.00 1.10 0.00 0.00 33.01 30.70 1jjj s GLN 96 CO 0.11 -0.92 0.68 -1.58 -0.55 0.00 0.00 175.29 173.03 1jjj s HIS 97 N 1.15 3.56 0.01 1.67 2.46 -0.47 -1.72 115.29 121.97 1jjj s HIS 97 Ca 0.05 -1.72 -0.30 0.00 0.47 0.00 0.00 55.06 53.55 1jjj s HIS 97 Cb -0.21 -3.83 -0.04 0.00 -0.13 0.00 0.00 32.58 28.37 1jjj s HIS 97 CO -0.04 -1.02 1.01 -0.65 -2.47 0.00 0.00 174.74 171.58 1jjj s GLN 98 N 0.75 4.55 -0.10 2.88 -0.21 -0.28 -2.11 119.66 125.15 1jjj s GLN 98 Ca 0.13 1.47 -0.00 0.00 0.02 0.00 0.00 55.36 56.98 1jjj s GLN 98 Cb -0.17 -3.44 0.02 0.00 1.00 0.00 0.00 33.01 30.42 1jjj s GLN 98 CO -0.05 -0.06 -0.07 -1.21 -2.12 0.00 0.00 175.29 171.78 1jjj s GLU 99 N 0.96 1.40 -0.22 2.91 2.02 -0.88 -1.66 118.70 123.23 1jjj s GLU 99 Ca 0.53 -0.22 -0.13 0.00 0.02 0.00 0.00 54.97 55.17 1jjj s GLU 99 Cb -0.22 -1.45 0.07 0.00 0.10 0.00 0.00 34.13 32.62 1jjj s GLU 99 CO 0.28 -0.23 0.55 1.67 0.02 0.00 0.00 175.26 177.56 1jjj s TRP 100 N 1.57 -0.83 -1.34 1.61 -2.14 -0.18 -0.41 118.94 117.21 1jjj s TRP 100 Ca 0.02 1.71 -0.00 0.00 2.66 0.00 0.00 56.10 60.49 1jjj s TRP 100 Cb -0.13 0.45 -0.00 0.00 -3.10 0.00 0.00 33.47 30.69 1jjj s TRP 100 CO -0.06 -0.44 0.58 -3.47 -2.66 0.00 0.00 176.95 170.91 1jjj n ASP 101 N 4.28 -0.83 -0.84 -2.66 2.03 -1.26 -1.00 116.55 116.27 1jjj n ASP 101 Ca -0.22 -0.90 -0.11 0.00 0.52 0.00 0.00 54.79 54.09 1jjj n ASP 101 Cb 0.57 -3.65 -0.05 0.00 -0.72 0.00 0.00 41.12 37.27 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 -1.74 1.12 3.15 0.27 0.00 -1.26 -5.03 105.19 101.71 1jjj n GLY 102 Ca -0.30 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.80 0.77 0.02 1.61 1.02 -0.17 -5.18 119.74 115.01 1jjj s LYS 103 Ca 0.00 -0.94 -0.01 0.00 0.02 0.00 0.00 55.97 55.04 1jjj s LYS 103 Cb 0.00 -0.71 -0.02 0.00 -0.52 0.00 0.00 37.83 36.58 1jjj s LYS 103 CO 0.00 0.15 -0.01 -1.83 -0.92 0.00 0.00 175.35 172.74 1jjj s GLU 104 N -1.80 0.38 -0.03 1.68 -1.05 -1.26 -1.01 118.70 115.61 1jjj s GLU 104 Ca -0.03 -0.69 -0.02 0.00 -0.15 0.00 0.00 54.97 54.08 1jjj s GLU 104 Cb -0.09 0.14 0.01 0.00 -0.44 0.00 0.00 34.13 33.74 1jjj s GLU 104 CO 0.02 -0.07 0.07 0.45 0.95 0.00 0.00 175.26 176.68 1jjj s SER 105 N -1.71 -0.07 -0.26 0.83 0.15 -0.67 -4.55 113.70 107.43 1jjj s SER 105 Ca -0.12 0.15 -0.05 0.00 0.70 0.00 0.00 55.95 56.63 1jjj s SER 105 Cb -0.07 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1jjj s SER 105 CO -0.02 -0.04 0.01 0.42 1.20 0.00 0.00 173.24 174.81 1jjj s THR 106 N 0.18 3.60 -0.40 6.45 -4.23 -0.33 -1.12 115.64 119.79 1jjj s THR 106 Ca -0.01 -0.63 -0.13 0.00 -1.18 0.00 0.00 61.69 59.73 1jjj s THR 106 Cb -0.02 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 71.08 1jjj s THR 106 CO -0.01 0.24 0.27 -0.63 -0.54 0.00 0.00 174.62 173.96 1jjj s ILE 107 N 1.47 4.98 -0.48 2.99 -1.09 -0.70 -2.26 121.20 126.12 1jjj s ILE 107 Ca 0.04 -0.78 -0.17 0.00 -2.23 0.00 0.00 60.65 57.50 1jjj s ILE 107 Cb -0.16 -3.80 0.06 0.00 -1.58 0.00 0.00 42.46 36.98 1jjj s ILE 107 CO -0.01 -0.31 0.50 -0.89 -1.23 0.00 0.00 174.94 173.00 1jjj s THR 108 N 1.62 5.06 -1.02 2.92 2.01 -0.18 -1.33 115.64 124.72 1jjj s THR 108 Ca 0.04 -0.68 -0.12 0.00 0.31 0.00 0.00 61.69 61.24 1jjj s THR 108 Cb -0.20 -4.18 0.24 0.00 0.01 0.00 0.00 72.50 68.37 1jjj s THR 108 CO 0.08 -0.64 1.04 -0.13 -0.69 0.00 0.00 174.62 174.28 1jjj s ARG 109 N 2.15 3.96 -0.12 4.92 0.52 -0.15 -1.00 118.95 129.23 1jjj s ARG 109 Ca 0.10 -2.81 -0.14 0.00 -0.52 0.00 0.00 55.73 52.36 1jjj s ARG 109 Cb -0.21 -4.60 -0.05 0.00 0.52 0.00 0.00 34.95 30.62 1jjj s ARG 109 CO 0.10 -1.35 0.31 -1.59 0.02 0.00 0.00 175.30 172.80 1jjj s LYS 110 N -0.24 4.11 -0.63 3.54 -2.85 -0.64 -2.15 119.74 120.89 1jjj s LYS 110 Ca 0.28 0.16 -0.26 0.00 -1.00 0.00 0.00 55.97 55.15 1jjj s LYS 110 Cb -0.09 -3.36 0.04 0.00 -2.06 0.00 0.00 37.83 32.36 1jjj s LYS 110 CO -0.08 0.37 1.11 -1.17 0.10 0.00 0.00 175.35 175.69 1jjj s LEU 111 N 0.04 3.69 0.00 2.77 1.98 -0.34 -0.87 118.68 125.94 1jjj s LEU 111 Ca 0.18 -0.33 0.00 0.00 -2.89 0.00 0.00 54.13 51.10 1jjj s LEU 111 Cb -0.14 -2.80 0.00 0.00 0.66 0.00 0.00 46.19 43.91 1jjj s LEU 111 CO 0.06 -1.50 0.00 1.17 -1.89 0.00 0.00 176.35 174.19 1jjj n LYS 112 N 8.32 0.00 -1.61 1.98 4.81 0.13 -4.93 118.16 126.86 1jjj n LYS 112 Ca 0.03 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.08 1jjj n LYS 112 Cb 0.48 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.51 1jjj n LYS 112 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jjj n ASP 113 N 0.00 8.18 -3.76 3.14 8.00 -1.26 -4.24 116.55 126.61 1jjj n ASP 113 Ca 0.00 -2.81 -0.29 0.00 0.71 0.00 0.00 54.79 52.40 1jjj n ASP 113 Cb 0.00 -1.49 -0.01 0.00 -0.02 0.00 0.00 41.12 39.60 1jjj n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 114 N 2.91 -0.47 3.63 0.44 0.00 -1.26 -4.98 105.19 105.45 1jjj n GLY 114 Ca 0.71 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.72 1jjj n GLY 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jjj s LYS 115 N -6.44 0.75 -0.30 1.61 2.47 -1.26 -4.79 119.74 111.78 1jjj s LYS 115 Ca 0.57 0.90 -0.24 0.00 -1.56 0.00 0.00 55.97 55.64 1jjj s LYS 115 Cb -0.30 0.37 0.00 0.00 -1.46 0.00 0.00 37.83 36.43 1jjj s LYS 115 CO 0.70 -0.09 0.80 -1.17 0.16 0.00 0.00 175.35 175.75 1jjj s LEU 116 N 0.35 4.08 -0.40 5.43 2.96 -0.62 -0.70 118.68 129.79 1jjj s LEU 116 Ca 0.01 0.69 -0.12 0.00 -0.22 0.00 0.00 54.13 54.49 1jjj s LEU 116 Cb -0.05 -3.10 0.04 0.00 0.50 0.00 0.00 46.19 43.58 1jjj s LEU 116 CO -0.01 -0.62 0.25 -0.69 -1.32 0.00 0.00 176.35 173.96 1jjj s VAL 117 N 2.98 4.71 -0.46 1.68 1.01 -0.05 -0.80 120.40 129.47 1jjj s VAL 117 Ca 0.33 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 1jjj s VAL 117 Cb -0.14 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.63 1jjj s VAL 117 CO 0.12 -0.33 0.37 -0.69 0.00 0.00 0.00 175.10 174.57 1jjj s VAL 118 N 1.56 5.01 -0.39 2.92 1.01 0.02 -1.62 120.40 128.91 1jjj s VAL 118 Ca 0.03 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 1jjj s VAL 118 Cb -0.20 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.21 1jjj s VAL 118 CO 0.06 -0.57 0.22 -1.61 0.00 0.00 0.00 175.10 173.20 1jjj s GLU 119 N 1.59 2.69 -0.03 2.72 2.02 -0.17 -1.01 118.70 126.51 1jjj s GLU 119 Ca 0.04 -1.27 -0.03 0.00 0.02 0.00 0.00 54.97 53.73 1jjj s GLU 119 Cb -0.24 -3.71 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 1jjj s GLU 119 CO 0.05 -0.81 0.14 0.00 0.02 0.00 0.00 175.26 174.66 1jjj s VAL 121 N -1.22 0.04 0.00 0.00 0.11 -0.96 -2.00 120.40 116.36 1jjj s VAL 121 Ca 0.23 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1jjj s VAL 121 Cb -0.12 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.30 1jjj s VAL 121 CO 0.14 -0.17 0.00 0.80 -3.33 0.00 0.00 175.10 172.54 1jjj n MET 122 N 2.13 0.00 -0.00 1.54 1.56 -1.23 -1.19 117.12 119.93 1jjj n MET 122 Ca -0.18 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.24 1jjj n MET 122 Cb 0.57 0.00 -0.00 0.00 2.15 0.00 0.00 33.22 35.93 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 -1.19 0.55 0.00 6.12 5.03 -1.26 -4.70 115.26 119.81 1jjj n ASN 123 Ca 0.00 0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.53 1jjj n ASN 123 Cb 0.00 -0.32 0.00 0.00 -1.02 0.00 0.00 39.78 38.44 1jjj n ASN 123 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1jjj n ASN 124 N -3.03 1.86 -4.78 6.41 6.94 -1.26 -5.08 115.26 116.31 1jjj n ASN 124 Ca -0.02 -0.25 -0.36 0.00 -0.02 0.00 0.00 54.58 53.92 1jjj n ASN 124 Cb 0.08 0.87 -0.07 0.00 -2.36 0.00 0.00 39.78 38.31 1jjj n ASN 124 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1jjj s VAL 125 N -1.25 5.36 0.16 3.53 1.01 -1.26 -5.11 120.40 122.84 1jjj s VAL 125 Ca 0.00 0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.44 1jjj s VAL 125 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1jjj s VAL 125 CO 0.00 0.49 -0.06 0.42 0.00 0.00 0.00 175.10 175.95 1jjj s THR 126 N -0.16 3.47 0.01 3.92 -4.23 -1.26 -3.48 115.64 113.90 1jjj s THR 126 Ca 0.15 -1.45 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 1jjj s THR 126 Cb -0.13 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 71.00 1jjj s THR 126 CO 0.03 -0.05 -0.12 0.00 -0.54 0.00 0.00 174.62 173.94 1jjj s THR 128 N -0.50 3.78 -0.38 0.00 2.01 -0.72 -1.57 115.64 118.26 1jjj s THR 128 Ca 0.03 -1.24 -0.11 0.00 0.31 0.00 0.00 61.69 60.68 1jjj s THR 128 Cb -0.06 -3.19 0.03 0.00 0.01 0.00 0.00 72.50 69.29 1jjj s THR 128 CO 0.00 -0.25 0.22 -0.13 -0.69 0.00 0.00 174.62 173.77 1jjj s ARG 129 N 1.38 2.81 -0.19 4.92 0.52 -0.18 -2.98 118.95 125.23 1jjj s ARG 129 Ca -0.01 -1.11 -0.21 0.00 -0.52 0.00 0.00 55.73 53.89 1jjj s ARG 129 Cb -0.20 -3.76 -0.03 0.00 0.52 0.00 0.00 34.95 31.48 1jjj s ARG 129 CO 0.02 -0.73 0.62 0.42 0.02 0.00 0.00 175.30 175.66 1jjj s ILE 130 N 1.55 5.03 -0.19 1.52 -1.09 -0.19 -0.80 121.20 127.04 1jjj s ILE 130 Ca 0.02 1.18 0.01 0.00 -2.23 0.00 0.00 60.65 59.63 1jjj s ILE 130 Cb -0.19 -3.94 0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1jjj s ILE 130 CO 0.07 0.13 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.41 1jjj s TYR 131 N 1.78 2.84 0.12 3.97 2.02 0.02 -1.43 117.35 126.68 1jjj s TYR 131 Ca 0.29 -1.74 -0.22 0.00 -0.37 0.00 0.00 57.07 55.02 1jjj s TYR 131 Cb -0.16 -1.92 -0.07 0.00 -0.40 0.00 0.00 41.96 39.41 1jjj s TYR 131 CO 0.11 -0.82 0.67 -1.83 -1.57 0.00 0.00 175.55 172.11 1jjj s GLU 132 N 1.26 4.37 0.13 -0.62 -1.05 -0.39 -1.58 118.70 120.83 1jjj s GLU 132 Ca 0.03 0.93 -0.30 0.00 -0.15 0.00 0.00 54.97 55.48 1jjj s GLU 132 Cb -0.14 -3.24 -0.06 0.00 -0.44 0.00 0.00 34.13 30.25 1jjj s GLU 132 CO -0.12 0.60 1.02 0.21 0.95 0.00 0.00 175.26 177.92 1jjj s LYS 133 N -1.16 4.65 -0.63 -4.83 2.20 -1.26 -0.50 119.74 118.21 1jjj s LYS 133 Ca 0.33 1.55 -0.12 0.00 -0.36 0.00 0.00 55.97 57.36 1jjj s LYS 133 Cb -0.21 -3.34 0.16 0.00 -1.51 0.00 0.00 37.83 32.93 1jjj s LYS 133 CO 0.22 0.15 0.55 0.08 -0.36 0.00 0.00 175.35 175.99 1jjj s VAL 134 N -0.03 4.95 0.00 4.02 1.01 0.49 -4.92 120.40 125.93 1jjj s VAL 134 Ca 0.48 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.42 1jjj s VAL 134 Cb -0.26 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 31.97 1jjj s VAL 134 CO 0.31 -0.90 0.05 -0.62 0.00 0.00 0.00 175.10 173.94