#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 -0.07 12.58 3.14 -1.26 -4.60 118.33 128.12 1jjj n VAL 4 Ca 0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 1jjj n VAL 4 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 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 0.29 0.00 1.45 4.20 -2.01 -2.71 115.11 116.33 1jjj h GLN 5 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1jjj h GLN 5 Cb 0.00 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1jjj h GLN 5 CO 0.00 0.19 0.00 1.96 -0.67 0.00 0.00 178.83 180.31 1jjj h GLN 6 N 0.30 0.00 0.00 1.46 7.50 -2.05 -2.37 115.11 119.95 1jjj h GLN 6 Ca 0.11 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.26 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 -0.07 0.00 0.00 1.28 -1.50 0.00 0.00 178.83 178.54 1jjj n LEU 7 N -2.44 0.26 -4.68 1.46 4.77 -1.02 -4.94 117.00 110.40 1jjj n LEU 7 Ca -0.00 0.56 -0.41 0.00 -0.03 0.00 0.00 56.01 56.12 1jjj n LEU 7 Cb 0.14 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 1jjj n LEU 7 CO 0.17 -0.32 0.61 -1.61 -1.33 0.00 0.00 177.39 174.90 1jjj s GLU 8 N -3.10 4.35 0.00 3.23 0.41 -0.90 -4.66 118.70 118.03 1jjj s GLU 8 Ca 0.07 1.07 0.00 0.00 -0.41 0.00 0.00 54.97 55.70 1jjj s GLU 8 Cb 0.11 -3.54 0.00 0.00 -1.78 0.00 0.00 34.13 28.91 1jjj s GLU 8 CO 0.35 -0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.28 1jjj n GLY 9 N 3.32 0.31 3.65 -1.39 0.00 -0.78 -4.99 105.19 105.31 1jjj n GLY 9 Ca 0.04 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.96 4.17 -0.24 1.61 3.52 -1.26 -1.26 118.95 123.53 1jjj s ARG 10 Ca 0.00 0.50 0.01 0.00 -0.13 0.00 0.00 55.73 56.11 1jjj s ARG 10 Cb 0.00 -3.60 0.06 0.00 -1.56 0.00 0.00 34.95 29.85 1jjj s ARG 10 CO 0.00 -0.26 -0.08 -1.58 -0.81 0.00 0.00 175.30 172.57 1jjj s TRP 11 N 2.00 2.69 -0.09 5.12 0.52 -0.85 -0.35 118.94 127.97 1jjj s TRP 11 Ca 0.26 -1.91 -0.20 0.00 0.02 0.00 0.00 56.10 54.27 1jjj s TRP 11 Cb -0.16 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1jjj s TRP 11 CO 0.10 -0.80 0.55 0.50 0.02 0.00 0.00 176.95 177.31 1jjj s ARG 12 N 1.30 4.36 0.13 4.98 3.52 0.05 -0.68 118.95 132.61 1jjj s ARG 12 Ca -0.06 0.59 -0.31 0.00 -0.13 0.00 0.00 55.73 55.82 1jjj s ARG 12 Cb -0.19 -3.43 -0.09 0.00 -1.56 0.00 0.00 34.95 29.68 1jjj s ARG 12 CO -0.06 0.16 1.57 -1.17 -0.81 0.00 0.00 175.30 174.99 1jjj s LEU 13 N 0.57 4.37 0.10 -0.88 2.96 -0.80 -1.01 118.68 123.97 1jjj s LEU 13 Ca 0.30 2.55 0.00 0.00 -0.22 0.00 0.00 54.13 56.75 1jjj s LEU 13 Cb -0.16 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1jjj s LEU 13 CO 0.13 -0.82 0.00 1.33 -1.32 0.00 0.00 176.35 175.67 1jjj n VAL 14 N 4.17 0.99 -3.72 1.68 0.24 -0.28 -4.64 118.33 116.77 1jjj n VAL 14 Ca 0.14 0.33 -0.32 0.00 -2.04 0.00 0.00 64.34 62.45 1jjj n VAL 14 Cb 0.39 -1.43 -0.05 0.00 -1.47 0.00 0.00 33.84 31.29 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 -5.79 6.47 -0.41 -1.34 2.15 -1.21 -4.98 116.67 111.56 1jjj s ASP 15 Ca 0.00 0.53 0.09 0.00 0.43 0.00 0.00 52.55 53.60 1jjj s ASP 15 Cb 0.00 -2.07 0.29 0.00 -0.30 0.00 0.00 42.92 40.84 1jjj s ASP 15 CO 0.00 0.09 0.72 -1.54 -0.17 0.00 0.00 175.17 174.27 1jjj n SER 16 N 0.21 -0.46 -4.70 -0.34 3.41 -1.26 -1.19 113.62 109.29 1jjj n SER 16 Ca -0.04 -3.02 -0.42 0.00 -0.26 0.00 0.00 58.87 55.14 1jjj n SER 16 Cb 0.52 0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 1jjj n SER 16 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1jjj s LYS 17 N -1.06 4.27 -1.92 4.33 0.00 -0.93 -2.70 119.74 121.72 1jjj s LYS 17 Ca 0.34 2.12 0.00 0.00 0.00 0.00 0.00 55.97 58.43 1jjj s LYS 17 Cb 0.25 -3.45 0.00 0.00 0.00 0.00 0.00 37.83 34.63 1jjj s LYS 17 CO -0.12 -0.58 0.00 0.41 0.00 0.00 0.00 175.35 175.07 1jjj n GLY 18 N 3.70 1.15 0.11 0.59 0.00 -1.26 -2.15 105.19 107.32 1jjj n GLY 18 Ca 0.13 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 0.34 -0.76 1.61 3.57 -1.88 -2.15 116.94 117.67 1jjj h PHE 19 Ca -0.41 -0.17 0.14 0.00 3.53 0.00 0.00 57.97 61.05 1jjj h PHE 19 Cb 1.28 -0.04 -0.09 0.00 2.79 0.00 0.00 35.95 39.89 1jjj h PHE 19 CO 0.53 0.95 0.32 0.22 -2.23 0.00 0.00 178.31 178.11 1jjj h ASP 20 N -0.37 0.32 -0.45 0.41 3.58 -1.93 0.05 116.42 118.02 1jjj h ASP 20 Ca -0.03 0.10 0.08 0.00 0.42 0.00 0.00 57.03 57.61 1jjj h ASP 20 Cb 1.03 0.07 -0.07 0.00 1.72 0.00 0.00 39.33 42.08 1jjj h ASP 20 CO 0.06 0.12 0.01 -0.33 -2.88 0.00 0.00 179.24 176.23 1jjj h GLU 21 N 0.47 0.12 0.06 0.28 5.08 -1.97 -0.24 114.58 118.38 1jjj h GLU 21 Ca 0.42 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1jjj h GLU 21 Cb 0.62 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1jjj h GLU 21 CO -0.39 0.08 -0.08 -0.92 -1.00 0.00 0.00 179.01 176.70 1jjj h TYR 22 N 0.13 -0.20 -0.35 4.33 3.20 -1.02 -3.12 116.97 119.94 1jjj h TYR 22 Ca 0.23 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 1jjj h TYR 22 Cb 0.33 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1jjj h TYR 22 CO -0.28 -0.12 -0.17 0.52 -1.64 0.00 0.00 178.16 176.47 1jjj h MET 23 N -0.17 0.74 -1.02 1.82 0.00 -0.84 -2.23 114.93 113.24 1jjj h MET 23 Ca 0.01 -0.32 0.25 0.00 0.00 0.00 0.00 59.70 59.64 1jjj h MET 23 Cb 0.17 -0.02 -0.10 0.00 0.00 0.00 0.00 31.60 31.65 1jjj h MET 23 CO -0.03 0.93 0.65 1.57 0.00 0.00 0.00 176.91 180.03 1jjj h LYS 24 N 0.53 0.45 -0.37 1.72 5.09 -1.17 -2.42 116.57 120.40 1jjj h LYS 24 Ca 0.08 -0.03 -0.16 0.00 0.09 0.00 0.00 60.65 60.63 1jjj h LYS 24 Cb 0.71 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 32.93 1jjj h LYS 24 CO 0.05 0.30 -0.39 1.49 -2.09 0.00 0.00 179.45 178.81 1jjj h GLU 25 N 0.47 0.89 -0.72 0.07 4.57 -1.43 -3.20 114.58 115.22 1jjj h GLU 25 Ca 0.59 -0.47 0.14 0.00 -1.18 0.00 0.00 59.36 58.44 1jjj h GLU 25 Cb 1.37 0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 29.88 1jjj h GLU 25 CO -0.33 1.12 0.24 -0.07 -1.18 0.00 0.00 179.01 178.79 1jjj h LEU 26 N 0.73 0.17 0.00 1.64 3.38 -1.02 -3.48 115.31 116.73 1jjj h LEU 26 Ca 0.06 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1jjj h LEU 26 Cb 0.97 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1jjj h LEU 26 CO 0.09 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.29 1jjj n GLY 27 N -1.33 0.77 3.84 0.83 0.00 -0.95 -5.13 105.19 103.23 1jjj n GLY 27 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1jjj n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jjj s VAL 28 N -1.07 4.94 1.08 1.61 -7.23 -1.22 -5.07 120.40 113.44 1jjj s VAL 28 Ca 0.00 0.80 -0.16 0.00 -1.81 0.00 0.00 61.98 60.81 1jjj s VAL 28 Cb 0.00 -3.73 0.23 0.00 0.56 0.00 0.00 36.38 33.44 1jjj s VAL 28 CO 0.00 0.38 1.13 -0.83 -0.31 0.00 0.00 175.10 175.47 1jjj s GLY 29 N -1.48 1.59 0.20 2.32 0.00 -1.26 -4.69 107.32 104.00 1jjj s GLY 29 Ca 0.32 -0.76 -0.10 0.00 0.00 0.00 0.00 44.72 44.18 1jjj s GLY 29 CO 0.17 -0.00 1.78 0.16 0.00 0.00 0.00 173.10 175.21 1jjj h ILE 30 N -2.15 0.89 -0.45 0.90 -0.00 -2.00 -0.41 117.51 114.29 1jjj h ILE 30 Ca -0.49 -0.19 0.04 0.00 -0.00 0.00 0.00 64.86 64.22 1jjj h ILE 30 Cb 1.30 0.30 -0.04 0.00 -0.00 0.00 0.00 36.82 38.38 1jjj h ILE 30 CO 0.45 0.10 0.23 0.00 -0.00 0.00 0.00 178.15 178.93 1jjj h ALA 31 N 1.36 0.57 -0.47 0.16 0.00 -1.99 -1.64 119.26 117.24 1jjj h ALA 31 Ca 0.29 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1jjj h ALA 31 Cb 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1jjj h ALA 31 CO -0.22 -0.13 0.09 -0.07 0.00 0.00 0.00 179.25 178.93 1jjj h LEU 32 N 0.45 0.73 -0.09 0.00 3.38 -1.84 -0.21 115.31 117.75 1jjj h LEU 32 Ca 0.20 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1jjj h LEU 32 Cb 0.10 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 1jjj h LEU 32 CO -0.14 0.79 -0.29 0.03 0.09 0.00 0.00 178.44 178.92 1jjj h ARG 33 N 0.64 -0.38 0.20 1.13 3.08 -1.11 -1.19 114.38 116.76 1jjj h ARG 33 Ca 0.15 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1jjj h ARG 33 Cb 0.36 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1jjj h ARG 33 CO 0.01 -0.25 -0.12 -0.22 -1.07 0.00 0.00 179.97 178.32 1jjj h LYS 34 N -0.39 -0.30 -0.21 0.04 3.64 -1.30 -1.84 116.57 116.21 1jjj h LYS 34 Ca 0.09 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1jjj h LYS 34 Cb 0.52 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1jjj h LYS 34 CO -0.31 -0.20 -0.03 1.98 -2.27 0.00 0.00 179.45 178.62 1jjj h MET 35 N -0.31 0.02 -0.51 1.90 4.05 -1.09 -2.78 114.93 116.21 1jjj h MET 35 Ca -0.02 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1jjj h MET 35 Cb 0.25 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.02 1jjj h MET 35 CO 0.03 0.02 0.33 0.78 0.23 0.00 0.00 176.91 178.29 1jjj h GLY 36 N 0.02 0.73 0.98 1.39 0.00 -1.26 -2.93 103.07 102.00 1jjj h GLY 36 Ca 0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1jjj h GLY 36 CO -0.20 0.28 0.18 0.00 0.00 0.00 0.00 176.54 176.80 1jjj h ALA 37 N 1.17 0.68 0.00 3.60 0.00 -1.35 -3.25 119.26 120.11 1jjj h ALA 37 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jjj h ALA 37 Cb -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1jjj h ALA 37 CO -0.04 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1jjj h MET 38 N 0.71 0.00 -6.96 0.00 3.00 -1.58 -3.48 114.93 106.62 1jjj h MET 38 Ca 0.17 0.00 -0.49 0.00 0.00 0.00 0.00 59.70 59.38 1jjj h MET 38 Cb 0.25 0.00 0.03 0.00 0.00 0.00 0.00 31.60 31.89 1jjj h MET 38 CO -0.01 0.00 0.45 0.00 0.00 0.00 0.00 176.91 177.35 1jjj s ALA 39 N -3.24 3.09 -0.74 -3.00 0.00 -1.11 -5.05 121.76 111.72 1jjj s ALA 39 Ca 0.07 0.81 0.04 0.00 0.00 0.00 0.00 51.96 52.88 1jjj s ALA 39 Cb 0.09 -3.32 0.24 0.00 0.00 0.00 0.00 23.12 20.14 1jjj s ALA 39 CO 0.57 -0.36 0.80 0.36 0.00 0.00 0.00 175.76 177.13 1jjj n LYS 40 N -0.06 2.68 -2.29 0.00 0.00 -1.26 -4.95 118.16 112.27 1jjj n LYS 40 Ca 0.05 -4.61 -0.37 0.00 -0.00 0.00 0.00 58.31 53.39 1jjj n LYS 40 Cb 0.48 -2.32 -0.01 0.00 -0.00 0.00 0.00 35.03 33.19 1jjj n LYS 40 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1jjj s PRO 41 N -2.21 3.75 -0.69 -1.58 0.04 -1.26 -4.47 135.00 128.58 1jjj s PRO 41 Ca 0.35 1.73 -0.25 0.00 0.04 0.00 0.00 61.00 62.86 1jjj s PRO 41 Cb 0.08 -2.37 0.04 0.00 0.04 0.00 0.00 34.50 32.29 1jjj s PRO 41 CO -0.04 -0.55 1.15 -0.51 0.04 0.00 0.00 177.00 177.09 1jjj s ASP 42 N -1.43 6.20 -0.68 6.66 1.01 -0.45 -1.91 116.67 126.06 1jjj s ASP 42 Ca 0.64 -0.58 -0.27 0.00 0.71 0.00 0.00 52.55 53.04 1jjj s ASP 42 Cb -0.27 -2.51 0.03 0.00 1.01 0.00 0.00 42.92 41.18 1jjj s ASP 42 CO 0.33 -1.65 1.30 0.00 0.21 0.00 0.00 175.17 175.36 1jjj s ILE 44 N 5.74 5.01 -0.15 0.00 1.01 0.14 -2.00 121.20 130.95 1jjj s ILE 44 Ca 0.40 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 1jjj s ILE 44 Cb -0.08 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1jjj s ILE 44 CO 0.19 -0.67 0.42 -0.63 0.00 0.00 0.00 174.94 174.25 1jjj s ILE 45 N 2.28 5.21 -0.18 2.92 1.01 -0.39 -1.90 121.20 130.15 1jjj s ILE 45 Ca 0.12 0.81 -0.04 0.00 0.00 0.00 0.00 60.65 61.54 1jjj s ILE 45 Cb -0.20 -3.76 0.09 0.00 0.01 0.00 0.00 42.46 38.60 1jjj s ILE 45 CO 0.11 0.31 0.25 -0.89 0.00 0.00 0.00 174.94 174.72 1jjj s THR 46 N 0.80 -0.38 -0.75 2.92 2.01 -0.37 -1.86 115.64 118.00 1jjj s THR 46 Ca 0.22 0.02 -0.19 0.00 0.31 0.00 0.00 61.69 62.05 1jjj s THR 46 Cb -0.15 -0.62 0.12 0.00 0.01 0.00 0.00 72.50 71.86 1jjj s THR 46 CO 0.08 -0.09 0.92 0.00 -0.69 0.00 0.00 174.62 174.84 1jjj n ASP 48 N 6.55 4.94 0.00 0.00 8.00 0.18 -4.78 116.55 131.43 1jjj n ASP 48 Ca 0.06 -2.97 0.00 0.00 0.71 0.00 0.00 54.79 52.59 1jjj n ASP 48 Cb 0.46 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 39.94 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 4.22 1.86 0.01 0.44 0.00 -1.26 -1.76 105.19 108.70 1jjj n GLY 49 Ca 0.43 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.53 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 0.12 -2.73 1.61 5.02 -1.26 -4.97 118.16 115.96 1jjj n LYS 50 Ca 0.00 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 1jjj n LYS 50 Cb 0.00 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.44 1jjj n LYS 50 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1jjj s ASN 51 N -3.38 6.30 -0.43 4.39 0.01 -0.72 -0.49 114.94 120.63 1jjj s ASN 51 Ca 0.07 -1.10 -0.28 0.00 -0.71 0.00 0.00 52.86 50.84 1jjj s ASN 51 Cb 0.16 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.34 1jjj s ASN 51 CO 0.80 -1.50 1.53 -0.22 -1.51 0.00 0.00 177.10 176.19 1jjj s LEU 52 N 4.47 3.52 -0.48 0.60 2.96 0.57 -0.65 118.68 129.68 1jjj s LEU 52 Ca 0.32 0.82 -0.17 0.00 -0.22 0.00 0.00 54.13 54.89 1jjj s LEU 52 Cb -0.09 -3.40 0.07 0.00 0.50 0.00 0.00 46.19 43.27 1jjj s LEU 52 CO 0.05 -1.60 0.46 -0.89 -1.32 0.00 0.00 176.35 173.04 1jjj s THR 53 N 6.10 5.13 -0.40 3.68 2.01 0.26 -1.39 115.64 131.02 1jjj s THR 53 Ca 0.65 -0.89 -0.05 0.00 0.31 0.00 0.00 61.69 61.70 1jjj s THR 53 Cb -0.15 -4.17 0.09 0.00 0.01 0.00 0.00 72.50 68.28 1jjj s THR 53 CO 0.31 -0.64 0.20 -0.63 -0.69 0.00 0.00 174.62 173.18 1jjj s ILE 54 N 1.93 3.63 -0.32 1.82 1.01 -0.25 -1.24 121.20 127.78 1jjj s ILE 54 Ca 0.07 -1.71 -0.11 0.00 0.00 0.00 0.00 60.65 58.91 1jjj s ILE 54 Cb -0.23 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1jjj s ILE 54 CO 0.08 -0.55 0.18 -0.75 0.00 0.00 0.00 174.94 173.90 1jjj s LYS 55 N 1.27 3.42 -0.62 2.79 2.20 -0.80 -1.35 119.74 126.66 1jjj s LYS 55 Ca 0.04 -0.67 -0.15 0.00 -0.36 0.00 0.00 55.97 54.83 1jjj s LYS 55 Cb -0.23 -3.64 0.15 0.00 -1.51 0.00 0.00 37.83 32.61 1jjj s LYS 55 CO -0.01 -0.41 0.57 0.99 -0.36 0.00 0.00 175.35 176.13 1jjj s THR 56 N 1.65 5.28 -0.26 3.43 2.01 0.60 -0.68 115.64 127.67 1jjj s THR 56 Ca 0.05 -1.78 -0.21 0.00 0.31 0.00 0.00 61.69 60.07 1jjj s THR 56 Cb -0.17 -4.35 -0.02 0.00 0.01 0.00 0.00 72.50 67.97 1jjj s THR 56 CO 0.08 -0.91 0.65 -1.61 -0.69 0.00 0.00 174.62 172.13 1jjj s GLU 57 N 1.20 4.09 -0.15 4.92 2.02 -0.29 -1.90 118.70 128.59 1jjj s GLU 57 Ca 0.07 0.55 -0.11 0.00 0.02 0.00 0.00 54.97 55.51 1jjj s GLU 57 Cb -0.25 -3.66 0.05 0.00 0.10 0.00 0.00 34.13 30.37 1jjj s GLU 57 CO -0.00 -0.44 0.38 0.45 0.02 0.00 0.00 175.26 175.67 1jjj s SER 58 N 1.48 -0.44 0.43 -0.19 0.15 -1.26 -1.34 113.70 112.54 1jjj s SER 58 Ca 0.27 0.80 0.10 0.00 0.70 0.00 0.00 55.95 57.82 1jjj s SER 58 Cb -0.15 0.74 0.97 0.00 -1.71 0.00 0.00 66.02 65.87 1jjj s SER 58 CO 0.09 -0.16 2.05 0.71 1.20 0.00 0.00 173.24 177.13 1jjj h THR 59 N 5.10 1.04 -0.14 6.45 1.35 -1.97 -2.72 112.91 122.02 1jjj h THR 59 Ca -0.32 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.37 1jjj h THR 59 Cb 1.18 0.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1jjj h THR 59 CO 0.29 0.08 0.00 -0.07 -0.25 0.00 0.00 175.52 175.57 1jjj h LEU 60 N 0.43 0.23 -6.08 3.87 3.38 -1.97 -3.45 115.31 111.73 1jjj h LEU 60 Ca 0.16 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1jjj h LEU 60 Cb 0.10 -0.06 -0.23 0.00 0.09 0.00 0.00 40.66 40.56 1jjj h LEU 60 CO -0.04 0.48 -0.36 -0.75 0.09 0.00 0.00 178.44 177.86 1jjj s LYS 61 N -5.00 0.53 -0.02 1.13 2.47 -1.12 -5.08 119.74 112.65 1jjj s LYS 61 Ca -0.14 0.68 -0.16 0.00 -1.56 0.00 0.00 55.97 54.79 1jjj s LYS 61 Cb 0.06 0.24 -0.05 0.00 -1.46 0.00 0.00 37.83 36.61 1jjj s LYS 61 CO 0.71 -0.84 0.45 0.99 0.16 0.00 0.00 175.35 176.82 1jjj s THR 62 N 2.78 5.02 0.14 3.43 2.01 -1.04 -4.15 115.64 123.83 1jjj s THR 62 Ca 0.15 0.92 -0.05 0.00 0.31 0.00 0.00 61.69 63.01 1jjj s THR 62 Cb -0.13 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 1jjj s THR 62 CO -0.23 0.51 0.17 0.28 -0.69 0.00 0.00 174.62 174.66 1jjj s THR 63 N -0.67 0.10 -0.04 -0.82 -1.32 -0.80 -4.99 115.64 107.11 1jjj s THR 63 Ca 0.25 -1.59 -0.22 0.00 -1.21 0.00 0.00 61.69 58.92 1jjj s THR 63 Cb -0.17 -1.85 0.05 0.00 -1.51 0.00 0.00 72.50 69.02 1jjj s THR 63 CO 0.13 -0.44 0.48 0.00 -2.21 0.00 0.00 174.62 172.59 1jjj s GLN 64 N -3.98 0.85 0.00 7.08 -2.07 -1.26 -0.29 119.66 119.98 1jjj s GLN 64 Ca 0.18 0.04 0.00 0.00 -1.82 0.00 0.00 55.36 53.76 1jjj s GLN 64 Cb 0.05 0.39 -0.00 0.00 -1.09 0.00 0.00 33.01 32.36 1jjj s GLN 64 CO -0.01 -0.25 -0.02 -0.59 -1.32 0.00 0.00 175.29 173.11 1jjj s PHE 65 N -1.22 0.15 -0.28 9.60 -0.12 -0.46 -5.01 117.98 120.65 1jjj s PHE 65 Ca -0.12 -0.08 0.01 0.00 -0.05 0.00 0.00 56.93 56.69 1jjj s PHE 65 Cb -0.03 -0.10 0.08 0.00 -0.63 0.00 0.00 43.02 42.34 1jjj s PHE 65 CO 0.07 -0.02 0.01 -1.54 -0.05 0.00 0.00 175.22 173.69 1jjj s SER 66 N -0.21 4.07 0.01 1.98 1.04 -1.26 -1.09 113.70 118.24 1jjj s SER 66 Ca -0.01 -1.50 0.01 0.00 0.48 0.00 0.00 55.95 54.93 1jjj s SER 66 Cb -0.02 -1.17 -0.01 0.00 0.10 0.00 0.00 66.02 64.92 1jjj s SER 66 CO -0.00 -0.32 -0.05 0.00 0.98 0.00 0.00 173.24 173.85 1jjj s THR 68 N -0.37 3.98 -0.03 0.00 2.01 -1.26 -0.31 115.64 119.66 1jjj s THR 68 Ca -0.01 1.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.86 1jjj s THR 68 Cb -0.03 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 1jjj s THR 68 CO -0.00 -0.16 1.49 -0.22 -0.69 0.00 0.00 174.62 175.04 1jjj s LEU 69 N 3.94 4.30 0.00 4.42 2.96 0.36 -1.68 118.68 132.99 1jjj s LEU 69 Ca 0.63 2.14 0.00 0.00 -0.22 0.00 0.00 54.13 56.67 1jjj s LEU 69 Cb -0.25 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.89 1jjj s LEU 69 CO 0.22 -0.81 0.00 0.61 -1.32 0.00 0.00 176.35 175.05 1jjj n GLY 70 N 3.83 2.78 3.98 7.98 0.00 0.64 -4.96 105.19 119.43 1jjj n GLY 70 Ca 0.15 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 1jjj n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jjj s GLU 71 N 0.00 3.16 -0.22 1.61 8.01 -0.67 -4.77 118.70 125.82 1jjj s GLU 71 Ca 0.00 -0.92 -0.08 0.00 0.01 0.00 0.00 54.97 53.98 1jjj s GLU 71 Cb 0.00 -2.80 -0.04 0.00 -4.31 0.00 0.00 34.13 26.98 1jjj s GLU 71 CO 0.00 0.07 0.09 0.21 0.01 0.00 0.00 175.26 175.65 1jjj s LYS 72 N -4.19 3.91 0.29 1.61 2.20 -1.26 -2.68 119.74 119.62 1jjj s LYS 72 Ca 0.44 -0.36 0.07 0.00 -0.36 0.00 0.00 55.97 55.76 1jjj s LYS 72 Cb -0.10 -3.34 -0.06 0.00 -1.51 0.00 0.00 37.83 32.83 1jjj s LYS 72 CO 0.32 0.08 -0.06 -0.59 -0.36 0.00 0.00 175.35 174.73 1jjj s PHE 73 N 0.93 2.00 -0.57 4.03 -0.71 -0.43 -4.92 117.98 118.31 1jjj s PHE 73 Ca 0.05 -0.67 -0.28 0.00 -1.04 0.00 0.00 56.93 54.99 1jjj s PHE 73 Cb -0.14 -1.14 0.01 0.00 -1.21 0.00 0.00 43.02 40.55 1jjj s PHE 73 CO 0.03 0.32 1.40 -2.00 -1.34 0.00 0.00 175.22 173.63 1jjj s GLU 74 N -3.71 3.30 -0.33 1.99 2.12 -1.26 -1.69 118.70 119.12 1jjj s GLU 74 Ca 0.30 0.42 -0.21 0.00 0.36 0.00 0.00 54.97 55.83 1jjj s GLU 74 Cb 0.03 -4.12 -0.00 0.00 0.26 0.00 0.00 34.13 30.30 1jjj s GLU 74 CO 0.12 -1.94 0.67 -2.00 -0.54 0.00 0.00 175.26 171.57 1jjj s GLU 75 N 5.49 3.80 -0.72 4.30 2.12 0.02 -4.94 118.70 128.77 1jjj s GLU 75 Ca 0.51 0.23 -0.21 0.00 0.36 0.00 0.00 54.97 55.86 1jjj s GLU 75 Cb -0.10 -3.77 0.10 0.00 0.26 0.00 0.00 34.13 30.61 1jjj s GLU 75 CO 0.25 -0.68 0.95 0.99 -0.54 0.00 0.00 175.26 176.22 1jjj s THR 76 N 2.74 4.55 0.48 -1.70 2.01 -1.26 -0.98 115.64 121.48 1jjj s THR 76 Ca 0.26 -0.85 -0.22 0.00 0.31 0.00 0.00 61.69 61.19 1jjj s THR 76 Cb -0.14 -4.67 -0.07 0.00 0.01 0.00 0.00 72.50 67.63 1jjj s THR 76 CO 0.14 -1.40 1.13 0.42 -0.69 0.00 0.00 174.62 174.22 1jjj s THR 77 N 3.35 3.28 0.39 -0.82 -4.23 -0.65 -4.96 115.64 112.01 1jjj s THR 77 Ca 0.23 0.90 0.20 0.00 -1.18 0.00 0.00 61.69 61.83 1jjj s THR 77 Cb -0.15 -3.42 0.40 0.00 1.34 0.00 0.00 72.50 70.67 1jjj s THR 77 CO 0.04 -0.08 1.72 0.00 -0.54 0.00 0.00 174.62 175.76 1jjj h ALA 78 N 1.81 2.29 -0.06 3.99 0.00 -1.96 -1.20 119.26 124.13 1jjj h ALA 78 Ca -0.49 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1jjj h ALA 78 Cb 1.24 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1jjj h ALA 78 CO 0.59 -0.78 0.01 0.22 0.00 0.00 0.00 179.25 179.29 1jjj h ASP 79 N 0.32 0.09 0.00 0.00 3.58 -2.00 -3.49 116.42 114.92 1jjj h ASP 79 Ca 0.67 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.85 1jjj h ASP 79 Cb 1.77 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.80 1jjj h ASP 79 CO -0.38 0.34 0.00 0.61 -2.88 0.00 0.00 179.24 176.93 1jjj n GLY 80 N -0.37 0.40 3.73 -0.78 0.00 -0.45 -5.15 105.19 102.56 1jjj n GLY 80 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 4.37 -0.63 1.61 0.52 -1.26 -4.81 118.95 118.75 1jjj s ARG 81 Ca 0.00 2.06 -0.24 0.00 -0.52 0.00 0.00 55.73 57.03 1jjj s ARG 81 Cb 0.00 -3.21 0.06 0.00 0.52 0.00 0.00 34.95 32.32 1jjj s ARG 81 CO 0.00 -0.31 0.98 0.15 0.02 0.00 0.00 175.30 176.15 1jjj s LYS 82 N 0.24 3.19 -0.05 3.54 -0.14 -1.26 -1.63 119.74 123.64 1jjj s LYS 82 Ca 0.59 -0.58 -0.02 0.00 -1.36 0.00 0.00 55.97 54.60 1jjj s LYS 82 Cb -0.36 -4.16 -0.04 0.00 -1.68 0.00 0.00 37.83 31.59 1jjj s LYS 82 CO 0.36 -1.73 0.07 0.95 -0.76 0.00 0.00 175.35 174.24 1jjj s THR 83 N 4.18 4.76 -0.85 2.17 -4.23 -0.15 -4.87 115.64 116.64 1jjj s THR 83 Ca 0.26 -0.26 -0.25 0.00 -1.18 0.00 0.00 61.69 60.26 1jjj s THR 83 Cb -0.15 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.61 1jjj s THR 83 CO 0.14 0.46 1.40 -1.10 -0.54 0.00 0.00 174.62 174.98 1jjj s GLN 84 N -1.39 3.31 -0.32 3.99 -1.52 0.33 -0.80 119.66 123.26 1jjj s GLN 84 Ca 0.19 -0.56 -0.19 0.00 -1.95 0.00 0.00 55.36 52.85 1jjj s GLN 84 Cb -0.12 -4.70 -0.01 0.00 -0.22 0.00 0.00 33.01 27.96 1jjj s GLN 84 CO 0.09 -2.24 0.55 0.99 -0.25 0.00 0.00 175.29 174.43 1jjj s THR 85 N 5.72 5.00 -0.46 -0.19 2.01 -0.68 -1.23 115.64 125.80 1jjj s THR 85 Ca 0.42 0.60 -0.23 0.00 0.31 0.00 0.00 61.69 62.78 1jjj s THR 85 Cb -0.05 -3.95 0.03 0.00 0.01 0.00 0.00 72.50 68.54 1jjj s THR 85 CO 0.05 -0.14 0.82 0.54 -0.69 0.00 0.00 174.62 175.20 1jjj s VAL 86 N 2.45 4.60 -0.43 3.82 0.11 -0.75 -1.31 120.40 128.88 1jjj s VAL 86 Ca 0.21 0.44 -0.20 0.00 -2.93 0.00 0.00 61.98 59.50 1jjj s VAL 86 Cb -0.15 -4.36 0.02 0.00 -1.53 0.00 0.00 36.38 30.36 1jjj s VAL 86 CO 0.12 -0.78 0.63 0.00 -3.33 0.00 0.00 175.10 171.74 1jjj s ASN 88 N 1.98 1.31 -0.38 0.00 2.20 -0.59 -0.26 114.94 119.20 1jjj s ASN 88 Ca 0.22 -0.16 -0.21 0.00 -0.94 0.00 0.00 52.86 51.77 1jjj s ASN 88 Cb -0.14 -0.53 0.01 0.00 -2.00 0.00 0.00 41.25 38.58 1jjj s ASN 88 CO 0.18 -0.08 0.67 0.12 -2.94 0.00 0.00 177.10 175.06 1jjj s PHE 89 N 1.18 3.12 -1.04 1.54 5.36 -1.26 -0.81 117.98 126.07 1jjj s PHE 89 Ca -0.07 0.30 -0.02 0.00 -0.96 0.00 0.00 56.93 56.18 1jjj s PHE 89 Cb -0.14 -3.26 0.26 0.00 -0.34 0.00 0.00 43.02 39.54 1jjj s PHE 89 CO -0.01 -0.72 2.04 -2.37 -1.46 0.00 0.00 175.22 172.70 1jjj n THR 90 N 5.71 5.41 -3.91 0.12 5.66 -0.43 -4.89 114.28 121.95 1jjj n THR 90 Ca -0.00 -5.20 -0.36 0.00 -3.05 0.00 0.00 64.05 55.44 1jjj n THR 90 Cb 0.48 -1.62 0.01 0.00 -1.55 0.00 0.00 70.33 67.65 1jjj n THR 90 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1jjj n ASP 91 N 0.32 -3.50 0.00 1.09 8.00 -1.26 -4.12 116.55 117.09 1jjj n ASP 91 Ca 0.52 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1jjj n ASP 91 Cb 0.27 -2.61 0.00 0.00 -0.02 0.00 0.00 41.12 38.76 1jjj n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 92 N -1.95 2.07 3.58 0.44 0.00 -1.26 -4.81 105.19 103.26 1jjj n GLY 92 Ca -0.16 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 3.16 -0.47 4.61 0.00 -1.26 -4.41 121.76 123.40 1jjj s ALA 93 Ca 0.00 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 1jjj s ALA 93 Cb 0.00 -1.57 0.04 0.00 0.00 0.00 0.00 23.12 21.59 1jjj s ALA 93 CO 0.00 0.35 0.55 -1.17 0.00 0.00 0.00 175.76 175.49 1jjj s LEU 94 N -0.11 4.93 -0.34 0.00 2.96 -0.04 -1.31 118.68 124.77 1jjj s LEU 94 Ca 0.04 -0.79 -0.12 0.00 -0.22 0.00 0.00 54.13 53.04 1jjj s LEU 94 Cb -0.13 -2.45 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 1jjj s LEU 94 CO 0.02 -0.76 0.22 -0.69 -1.32 0.00 0.00 176.35 173.82 1jjj s VAL 95 N 2.41 5.05 -0.70 1.68 1.01 0.01 -0.95 120.40 128.91 1jjj s VAL 95 Ca 0.14 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 1jjj s VAL 95 Cb -0.18 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 32.68 1jjj s VAL 95 CO 0.13 -0.01 0.96 -1.58 0.00 0.00 0.00 175.10 174.60 1jjj s GLN 96 N 1.68 3.19 -0.81 2.72 0.74 -0.67 -1.54 119.66 124.97 1jjj s GLN 96 Ca 0.05 -1.06 -0.17 0.00 0.05 0.00 0.00 55.36 54.24 1jjj s GLN 96 Cb -0.17 -4.36 0.17 0.00 1.10 0.00 0.00 33.01 29.74 1jjj s GLN 96 CO 0.09 -1.78 0.87 -1.58 -0.55 0.00 0.00 175.29 172.34 1jjj s HIS 97 N 3.66 3.39 -0.17 1.67 2.46 -0.59 -1.45 115.29 124.27 1jjj s HIS 97 Ca 0.23 -1.58 -0.26 0.00 0.47 0.00 0.00 55.06 53.92 1jjj s HIS 97 Cb -0.16 -4.01 -0.01 0.00 -0.13 0.00 0.00 32.58 28.27 1jjj s HIS 97 CO 0.06 -1.21 0.88 -0.65 -2.47 0.00 0.00 174.74 171.35 1jjj s GLN 98 N 1.52 4.30 -0.14 2.88 -0.21 0.22 -1.81 119.66 126.41 1jjj s GLN 98 Ca 0.21 1.11 0.01 0.00 0.02 0.00 0.00 55.36 56.71 1jjj s GLN 98 Cb -0.12 -3.58 0.02 0.00 1.00 0.00 0.00 33.01 30.33 1jjj s GLN 98 CO -0.06 -0.37 -0.16 -1.21 -2.12 0.00 0.00 175.29 171.36 1jjj s GLU 99 N 2.30 2.49 -0.16 2.91 2.02 -0.37 -1.12 118.70 126.77 1jjj s GLU 99 Ca 0.40 -0.64 -0.08 0.00 0.02 0.00 0.00 54.97 54.67 1jjj s GLU 99 Cb -0.17 -2.18 0.06 0.00 0.10 0.00 0.00 34.13 31.94 1jjj s GLU 99 CO 0.12 -0.17 0.37 1.67 0.02 0.00 0.00 175.26 177.27 1jjj s TRP 100 N 1.26 -0.58 -1.33 1.61 -2.14 -0.25 -0.51 118.94 117.01 1jjj s TRP 100 Ca 0.01 1.22 -0.00 0.00 2.66 0.00 0.00 56.10 59.98 1jjj s TRP 100 Cb -0.14 0.21 0.00 0.00 -3.10 0.00 0.00 33.47 30.44 1jjj s TRP 100 CO -0.08 -0.35 0.65 -3.47 -2.66 0.00 0.00 176.95 171.04 1jjj n ASP 101 N 4.58 -1.07 0.00 -2.66 2.03 -1.26 -0.79 116.55 117.38 1jjj n ASP 101 Ca -0.19 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.26 1jjj n ASP 101 Cb 0.53 -3.86 0.00 0.00 -0.72 0.00 0.00 41.12 37.07 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 -1.65 0.46 3.29 0.27 0.00 -1.26 -5.02 105.19 101.27 1jjj n GLY 102 Ca -0.30 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.54 1.49 0.27 1.61 1.02 0.03 -5.17 119.74 118.45 1jjj s LYS 103 Ca 0.00 -1.02 0.02 0.00 0.02 0.00 0.00 55.97 54.98 1jjj s LYS 103 Cb 0.00 -1.65 -0.05 0.00 -0.52 0.00 0.00 37.83 35.60 1jjj s LYS 103 CO 0.00 0.42 0.09 -1.83 -0.92 0.00 0.00 175.35 173.11 1jjj s GLU 104 N -1.28 1.44 -0.22 1.68 -1.05 -1.26 -1.09 118.70 116.92 1jjj s GLU 104 Ca 0.09 -1.78 -0.08 0.00 -0.15 0.00 0.00 54.97 53.05 1jjj s GLU 104 Cb -0.09 -0.36 0.10 0.00 -0.44 0.00 0.00 34.13 33.33 1jjj s GLU 104 CO 0.02 -0.27 0.48 -1.12 0.95 0.00 0.00 175.26 175.32 1jjj s SER 105 N -3.34 -0.49 -0.41 0.83 0.01 -0.28 -4.50 113.70 105.53 1jjj s SER 105 Ca 0.37 1.13 -0.06 0.00 1.31 0.00 0.00 55.95 58.69 1jjj s SER 105 Cb 0.08 1.50 0.09 0.00 0.21 0.00 0.00 66.02 67.89 1jjj s SER 105 CO 0.14 -0.23 0.22 0.42 0.41 0.00 0.00 173.24 174.20 1jjj s THR 106 N 2.52 3.80 -0.58 1.44 -4.23 -0.23 -0.61 115.64 117.76 1jjj s THR 106 Ca -0.04 -1.63 -0.18 0.00 -1.18 0.00 0.00 61.69 58.66 1jjj s THR 106 Cb -0.11 -3.41 0.10 0.00 1.34 0.00 0.00 72.50 70.42 1jjj s THR 106 CO -0.14 -0.54 0.66 -0.63 -0.54 0.00 0.00 174.62 173.43 1jjj s ILE 107 N 1.31 4.89 -0.53 2.99 -1.09 -0.53 -2.37 121.20 125.87 1jjj s ILE 107 Ca 0.04 -1.04 -0.16 0.00 -2.23 0.00 0.00 60.65 57.26 1jjj s ILE 107 Cb -0.23 -4.45 0.11 0.00 -1.58 0.00 0.00 42.46 36.31 1jjj s ILE 107 CO -0.00 -1.06 0.50 -0.89 -1.23 0.00 0.00 174.94 172.26 1jjj s THR 108 N 2.51 5.16 -0.44 2.92 2.01 -0.36 -1.68 115.64 125.76 1jjj s THR 108 Ca 0.10 -1.33 -0.20 0.00 0.31 0.00 0.00 61.69 60.58 1jjj s THR 108 Cb -0.25 -4.31 0.03 0.00 0.01 0.00 0.00 72.50 67.98 1jjj s THR 108 CO 0.06 -0.84 0.59 -0.13 -0.69 0.00 0.00 174.62 173.61 1jjj s ARG 109 N 1.76 3.21 0.04 4.92 0.52 -0.12 -1.23 118.95 128.04 1jjj s ARG 109 Ca 0.04 -0.53 0.07 0.00 -0.52 0.00 0.00 55.73 54.80 1jjj s ARG 109 Cb -0.28 -3.97 -0.02 0.00 0.52 0.00 0.00 34.95 31.20 1jjj s ARG 109 CO 0.04 -0.99 -0.20 -1.59 0.02 0.00 0.00 175.30 172.58 1jjj s LYS 110 N 2.62 1.37 -0.18 3.54 -2.85 -0.61 -0.86 119.74 122.77 1jjj s LYS 110 Ca 0.19 -0.89 -0.27 0.00 -1.00 0.00 0.00 55.97 54.00 1jjj s LYS 110 Cb -0.15 -1.46 -0.01 0.00 -2.06 0.00 0.00 37.83 34.15 1jjj s LYS 110 CO 0.17 0.37 0.91 -1.17 0.10 0.00 0.00 175.35 175.73 1jjj s LEU 111 N -1.08 4.16 0.00 2.77 1.98 -1.26 -0.81 118.68 124.44 1jjj s LEU 111 Ca 0.07 1.27 0.00 0.00 -2.89 0.00 0.00 54.13 52.58 1jjj s LEU 111 Cb -0.09 -3.35 0.00 0.00 0.66 0.00 0.00 46.19 43.41 1jjj s LEU 111 CO 0.01 -0.47 0.00 1.17 -1.89 0.00 0.00 176.35 175.17 1jjj n LYS 112 N 5.48 0.00 -1.92 1.98 4.81 -0.75 -4.96 118.16 122.80 1jjj n LYS 112 Ca 0.07 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.09 1jjj n LYS 112 Cb 0.48 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.53 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 5.13 0.00 3.14 8.00 -1.26 -4.36 116.55 127.20 1jjj n ASP 113 Ca 0.00 -2.93 0.00 0.00 0.71 0.00 0.00 54.79 52.57 1jjj n ASP 113 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 39.54 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 3.39 2.23 3.36 0.44 0.00 -1.26 -5.01 105.19 108.34 1jjj n GLY 114 Ca 0.51 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 1.37 -0.44 1.61 1.02 -1.26 -4.60 119.74 117.45 1jjj s LYS 115 Ca 0.00 -1.55 -0.26 0.00 0.02 0.00 0.00 55.97 54.18 1jjj s LYS 115 Cb 0.00 -1.33 0.02 0.00 -0.52 0.00 0.00 37.83 36.01 1jjj s LYS 115 CO 0.00 0.25 0.94 -1.17 -0.92 0.00 0.00 175.35 174.44 1jjj s LEU 116 N -3.10 3.98 -0.36 3.17 2.96 0.02 -1.81 118.68 123.54 1jjj s LEU 116 Ca 0.21 0.26 -0.21 0.00 -0.22 0.00 0.00 54.13 54.17 1jjj s LEU 116 Cb -0.03 -3.23 0.01 0.00 0.50 0.00 0.00 46.19 43.43 1jjj s LEU 116 CO 0.08 -1.01 0.67 -0.69 -1.32 0.00 0.00 176.35 174.08 1jjj s VAL 117 N 3.73 4.85 -0.39 1.68 1.01 0.01 -1.43 120.40 129.86 1jjj s VAL 117 Ca 0.38 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 62.98 1jjj s VAL 117 Cb -0.10 -4.11 0.11 0.00 0.00 0.00 0.00 36.38 32.27 1jjj s VAL 117 CO 0.25 -0.35 0.15 -0.69 0.00 0.00 0.00 175.10 174.46 1jjj s VAL 118 N 2.80 2.92 -0.43 2.92 1.01 0.12 -1.57 120.40 128.17 1jjj s VAL 118 Ca 0.26 -2.20 -0.16 0.00 0.00 0.00 0.00 61.98 59.88 1jjj s VAL 118 Cb -0.14 -3.05 0.04 0.00 0.00 0.00 0.00 36.38 33.23 1jjj s VAL 118 CO 0.15 -0.66 0.36 -1.61 0.00 0.00 0.00 175.10 173.34 1jjj s GLU 119 N 1.01 3.00 -0.24 2.72 2.02 -0.37 -0.86 118.70 125.98 1jjj s GLU 119 Ca 0.10 -1.07 -0.08 0.00 0.02 0.00 0.00 54.97 53.94 1jjj s GLU 119 Cb -0.21 -4.02 -0.04 0.00 0.10 0.00 0.00 34.13 29.96 1jjj s GLU 119 CO -0.06 -0.85 0.10 0.00 0.02 0.00 0.00 175.26 174.47 1jjj s VAL 121 N 1.32 1.70 0.00 0.00 0.11 -1.00 -0.87 120.40 121.66 1jjj s VAL 121 Ca 0.06 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 1jjj s VAL 121 Cb -0.15 -1.44 0.00 0.00 -1.53 0.00 0.00 36.38 33.26 1jjj s VAL 121 CO 0.05 0.48 0.00 0.80 -3.33 0.00 0.00 175.10 173.10 1jjj n MET 122 N 2.97 0.00 0.00 1.54 1.56 -1.20 -1.06 117.12 120.93 1jjj n MET 122 Ca -0.17 0.14 0.00 0.00 -0.27 0.00 0.00 57.70 57.39 1jjj n MET 122 Cb 0.53 -0.54 0.00 0.00 2.15 0.00 0.00 33.22 35.35 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 -1.33 0.00 -0.02 6.12 3.02 -1.26 -4.54 115.26 117.25 1jjj n ASN 123 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 1jjj n ASN 123 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 1jjj n ASN 123 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1jjj h ASN 124 N 0.00 0.00 -3.34 6.41 2.35 -2.01 -3.47 115.58 115.52 1jjj h ASN 124 Ca 0.00 -0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 1jjj h ASN 124 Cb 0.00 -0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.26 1jjj h ASN 124 CO 0.00 1.00 0.62 -0.69 -1.65 0.00 0.00 177.43 176.72 1jjj s VAL 125 N -2.60 4.36 -0.33 2.81 1.01 -1.26 -5.02 120.40 119.37 1jjj s VAL 125 Ca -0.05 0.50 -0.10 0.00 0.00 0.00 0.00 61.98 62.33 1jjj s VAL 125 Cb 0.08 -4.53 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1jjj s VAL 125 CO 0.82 -1.06 0.16 0.42 0.00 0.00 0.00 175.10 175.44 1jjj s THR 126 N 4.02 4.46 0.43 3.92 -4.23 -1.26 -3.20 115.64 119.78 1jjj s THR 126 Ca 0.34 -0.67 -0.07 0.00 -1.18 0.00 0.00 61.69 60.11 1jjj s THR 126 Cb -0.11 -3.38 -0.05 0.00 1.34 0.00 0.00 72.50 70.30 1jjj s THR 126 CO 0.22 -0.06 0.75 0.00 -0.54 0.00 0.00 174.62 174.99 1jjj s THR 128 N -2.51 1.28 -0.24 0.00 2.01 -0.91 -2.17 115.64 113.09 1jjj s THR 128 Ca 0.48 -1.11 -0.12 0.00 0.31 0.00 0.00 61.69 61.26 1jjj s THR 128 Cb -0.10 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 1jjj s THR 128 CO 0.37 -0.17 0.23 -0.13 -0.69 0.00 0.00 174.62 174.23 1jjj s ARG 129 N 1.50 4.07 -0.33 4.92 0.52 -0.04 -2.20 118.95 127.40 1jjj s ARG 129 Ca -0.03 -0.15 -0.13 0.00 -0.52 0.00 0.00 55.73 54.90 1jjj s ARG 129 Cb -0.18 -3.57 -0.02 0.00 0.52 0.00 0.00 34.95 31.70 1jjj s ARG 129 CO -0.08 -0.02 0.26 0.42 0.02 0.00 0.00 175.30 175.90 1jjj s ILE 130 N 1.30 5.26 -0.12 1.52 -1.09 -0.33 -0.70 121.20 127.03 1jjj s ILE 130 Ca 0.11 -0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 1jjj s ILE 130 Cb -0.14 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 1jjj s ILE 130 CO 0.07 0.02 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.35 1jjj s TYR 131 N 1.81 2.79 -0.01 3.97 1.51 -0.52 -1.12 117.35 125.77 1jjj s TYR 131 Ca 0.08 -0.62 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1jjj s TYR 131 Cb -0.17 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1jjj s TYR 131 CO 0.11 -0.19 -0.00 -1.83 -1.11 0.00 0.00 175.55 172.53 1jjj s GLU 132 N 0.25 2.81 -0.19 -0.62 -1.05 -0.18 -0.80 118.70 118.91 1jjj s GLU 132 Ca -0.09 -0.58 -0.29 0.00 -0.15 0.00 0.00 54.97 53.85 1jjj s GLU 132 Cb -0.16 -2.68 -0.01 0.00 -0.44 0.00 0.00 34.13 30.84 1jjj s GLU 132 CO 0.05 0.64 1.33 0.21 0.95 0.00 0.00 175.26 178.44 1jjj s LYS 133 N -1.45 4.11 -0.76 -4.83 2.20 -1.26 -0.77 119.74 116.98 1jjj s LYS 133 Ca 0.18 1.60 -0.20 0.00 -0.36 0.00 0.00 55.97 57.19 1jjj s LYS 133 Cb -0.11 -3.83 0.10 0.00 -1.51 0.00 0.00 37.83 32.48 1jjj s LYS 133 CO 0.09 -0.87 0.98 0.08 -0.36 0.00 0.00 175.35 175.27 1jjj s VAL 134 N 3.90 4.60 -1.49 4.02 1.01 0.52 -4.97 120.40 127.98 1jjj s VAL 134 Ca 0.58 -1.01 0.12 0.00 0.00 0.00 0.00 61.98 61.66 1jjj s VAL 134 Cb -0.22 -4.69 0.09 0.00 0.00 0.00 0.00 36.38 31.57 1jjj s VAL 134 CO 0.19 -1.41 0.88 -0.62 0.00 0.00 0.00 175.10 174.14