#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 1.28 -0.36 2.28 3.04 -1.99 -2.88 116.25 117.63 1jjj h VAL 4 Ca 0.00 -1.36 -0.03 0.00 -1.01 0.00 0.00 66.70 64.30 1jjj h VAL 4 Cb 0.00 1.65 -0.02 0.00 -2.01 0.00 0.00 31.29 30.91 1jjj h VAL 4 CO 0.00 0.40 0.11 1.56 -1.01 0.00 0.00 177.57 178.63 1jjj h GLN 5 N 0.11 0.52 0.00 4.17 4.20 -2.00 -3.04 115.11 119.07 1jjj h GLN 5 Ca 0.01 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1jjj h GLN 5 Cb 0.71 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1jjj h GLN 5 CO 0.05 0.46 -0.22 0.37 -0.67 0.00 0.00 178.83 178.82 1jjj h GLN 6 N 0.51 0.00 0.00 1.46 4.15 -1.98 -2.88 115.11 116.37 1jjj h GLN 6 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1jjj h GLN 6 Cb 0.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1jjj h GLN 6 CO -0.01 0.22 0.00 1.28 -1.93 0.00 0.00 178.83 178.39 1jjj n LEU 7 N -3.87 0.00 -4.76 -2.39 4.77 -1.14 -4.93 117.00 104.68 1jjj n LEU 7 Ca -0.02 0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.67 1jjj n LEU 7 Cb 0.31 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1jjj n LEU 7 CO 0.34 -0.06 0.95 -1.61 -1.33 0.00 0.00 177.39 175.69 1jjj s GLU 8 N -2.24 4.41 0.00 3.23 0.41 -1.09 -4.65 118.70 118.76 1jjj s GLU 8 Ca 0.20 2.11 0.00 0.00 -0.41 0.00 0.00 54.97 56.88 1jjj s GLU 8 Cb 0.11 -3.12 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 1jjj s GLU 8 CO 0.21 -0.14 0.00 0.41 -0.49 0.00 0.00 175.26 175.24 1jjj n GLY 9 N 1.28 0.96 3.68 -1.39 0.00 -0.61 -4.97 105.19 104.14 1jjj n GLY 9 Ca 0.01 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.06 4.26 -0.26 1.61 3.52 -1.26 -1.15 118.95 124.61 1jjj s ARG 10 Ca 0.00 0.59 0.03 0.00 -0.13 0.00 0.00 55.73 56.22 1jjj s ARG 10 Cb 0.00 -3.53 0.06 0.00 -1.56 0.00 0.00 34.95 29.92 1jjj s ARG 10 CO 0.00 -0.12 -0.09 -1.58 -0.81 0.00 0.00 175.30 172.70 1jjj s TRP 11 N 1.50 3.12 -0.15 5.12 0.52 0.02 -0.41 118.94 128.66 1jjj s TRP 11 Ca 0.29 -2.24 -0.18 0.00 0.02 0.00 0.00 56.10 53.98 1jjj s TRP 11 Cb -0.16 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1jjj s TRP 11 CO 0.11 -0.86 0.50 0.50 0.02 0.00 0.00 176.95 177.22 1jjj s ARG 12 N 1.15 4.28 0.11 4.98 3.52 -0.02 -0.46 118.95 132.50 1jjj s ARG 12 Ca -0.08 0.44 -0.31 0.00 -0.13 0.00 0.00 55.73 55.66 1jjj s ARG 12 Cb -0.20 -3.49 -0.09 0.00 -1.56 0.00 0.00 34.95 29.61 1jjj s ARG 12 CO -0.05 0.02 1.69 -1.17 -0.81 0.00 0.00 175.30 174.98 1jjj s LEU 13 N 1.07 4.38 0.00 -0.88 2.96 -0.71 -0.92 118.68 124.58 1jjj s LEU 13 Ca 0.25 2.61 0.00 0.00 -0.22 0.00 0.00 54.13 56.78 1jjj s LEU 13 Cb -0.15 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1jjj s LEU 13 CO 0.10 -0.91 0.00 1.33 -1.32 0.00 0.00 176.35 175.55 1jjj n VAL 14 N 4.52 0.00 -3.17 1.68 0.24 -0.14 -4.77 118.33 116.69 1jjj n VAL 14 Ca 0.16 0.18 -0.37 0.00 -2.04 0.00 0.00 64.34 62.27 1jjj n VAL 14 Cb 0.39 -1.12 -0.06 0.00 -1.47 0.00 0.00 33.84 31.58 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 -3.51 7.04 -0.39 -1.34 2.15 -1.22 -4.97 116.67 114.43 1jjj s ASP 15 Ca 0.00 1.34 0.10 0.00 0.43 0.00 0.00 52.55 54.42 1jjj s ASP 15 Cb 0.00 -2.39 0.30 0.00 -0.30 0.00 0.00 42.92 40.53 1jjj s ASP 15 CO 0.00 0.10 0.63 -1.54 -0.17 0.00 0.00 175.17 174.18 1jjj n SER 16 N 0.96 0.63 -4.70 -0.34 3.41 -1.26 -1.54 113.62 110.77 1jjj n SER 16 Ca -0.04 -2.87 -0.42 0.00 -0.26 0.00 0.00 58.87 55.28 1jjj n SER 16 Cb 0.51 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 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 -1.81 4.35 0.00 4.33 -2.85 -0.95 -2.91 119.74 119.90 1jjj s LYS 17 Ca 0.38 1.88 0.00 0.00 -1.00 0.00 0.00 55.97 57.23 1jjj s LYS 17 Cb 0.25 -3.41 0.00 0.00 -2.06 0.00 0.00 37.83 32.61 1jjj s LYS 17 CO -0.10 -0.41 0.00 0.41 0.10 0.00 0.00 175.35 175.35 1jjj n GLY 18 N 3.42 0.86 0.08 0.59 0.00 -1.26 -1.37 105.19 107.52 1jjj n GLY 18 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 0.15 -0.75 1.61 3.57 -1.88 -2.37 116.94 117.27 1jjj h PHE 19 Ca 0.00 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.54 1jjj h PHE 19 Cb 0.01 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.65 1jjj h PHE 19 CO 0.00 0.58 0.41 0.22 -2.23 0.00 0.00 178.31 177.29 1jjj h ASP 20 N -0.32 0.58 -0.36 0.41 1.82 -1.95 -1.48 116.42 115.12 1jjj h ASP 20 Ca 0.01 0.05 -0.06 0.00 -0.39 0.00 0.00 57.03 56.64 1jjj h ASP 20 Cb 0.55 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.48 1jjj h ASP 20 CO 0.01 0.34 0.04 -0.33 -1.61 0.00 0.00 179.24 177.70 1jjj h GLU 21 N 0.71 0.70 0.07 0.28 4.39 -1.99 -1.59 114.58 117.14 1jjj h GLU 21 Ca 0.36 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 1jjj h GLU 21 Cb 0.32 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1jjj h GLU 21 CO -0.24 0.68 -0.04 -0.92 -1.16 0.00 0.00 179.01 177.34 1jjj h TYR 22 N 0.67 -0.09 -0.65 4.33 3.20 -0.85 -0.79 116.97 122.79 1jjj h TYR 22 Ca 0.14 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1jjj h TYR 22 Cb 0.35 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1jjj h TYR 22 CO 0.02 -0.00 0.32 0.00 -1.64 0.00 0.00 178.16 176.86 1jjj h MET 23 N -0.16 0.91 -0.55 1.82 -0.00 -1.35 0.38 114.93 115.98 1jjj h MET 23 Ca -0.01 -0.11 0.11 0.00 -0.00 0.00 0.00 59.70 59.69 1jjj h MET 23 Cb 0.13 -0.18 -0.09 0.00 -0.00 0.00 0.00 31.60 31.46 1jjj h MET 23 CO 0.02 0.70 -0.02 -0.22 -0.00 0.00 0.00 176.91 177.38 1jjj h LYS 24 N 0.91 0.09 -0.78 -0.10 3.11 -1.28 -0.90 116.57 117.62 1jjj h LYS 24 Ca 0.23 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 58.01 1jjj h LYS 24 Cb 0.08 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.25 1jjj h LYS 24 CO -0.03 0.06 0.29 1.49 -2.81 0.00 0.00 179.45 178.45 1jjj h GLU 25 N 0.10 1.19 -0.84 1.90 4.57 -0.72 -3.04 114.58 117.72 1jjj h GLU 25 Ca 0.28 -0.23 0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1jjj h GLU 25 Cb 0.43 -0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 28.77 1jjj h GLU 25 CO -0.48 0.98 0.51 -0.07 -1.18 0.00 0.00 179.01 178.76 1jjj h LEU 26 N 1.15 0.77 0.00 1.64 3.38 -0.82 -3.48 115.31 117.94 1jjj h LEU 26 Ca 0.26 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1jjj h LEU 26 Cb 0.25 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1jjj h LEU 26 CO -0.02 0.47 0.00 0.61 0.09 0.00 0.00 178.44 179.60 1jjj n GLY 27 N -1.32 0.66 2.87 0.83 0.00 -0.39 -5.10 105.19 102.74 1jjj n GLY 27 Ca 0.13 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.41 0.60 0.75 1.61 1.01 -0.93 -5.00 120.40 118.03 1jjj s VAL 28 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1jjj s VAL 28 Cb 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.77 1jjj s VAL 28 CO 0.00 0.26 1.10 -0.83 0.00 0.00 0.00 175.10 175.63 1jjj s GLY 29 N 1.26 1.63 0.19 4.51 0.00 -1.26 -4.51 107.32 109.13 1jjj s GLY 29 Ca -0.05 -0.27 -0.13 0.00 0.00 0.00 0.00 44.72 44.27 1jjj s GLY 29 CO -0.02 0.13 1.72 0.16 0.00 0.00 0.00 173.10 175.09 1jjj h ILE 30 N -0.86 0.73 -0.61 0.90 3.07 -2.02 0.16 117.51 118.89 1jjj h ILE 30 Ca -0.46 -0.08 -0.00 0.00 1.55 0.00 0.00 64.86 65.86 1jjj h ILE 30 Cb 1.26 0.47 -0.03 0.00 -0.27 0.00 0.00 36.82 38.25 1jjj h ILE 30 CO 0.61 0.04 0.36 0.00 -1.05 0.00 0.00 178.15 178.12 1jjj h ALA 31 N 1.38 0.77 -0.67 0.16 0.00 -1.99 -0.33 119.26 118.58 1jjj h ALA 31 Ca 0.25 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1jjj h ALA 31 Cb 0.32 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1jjj h ALA 31 CO -0.32 0.25 0.12 -0.07 0.00 0.00 0.00 179.25 179.24 1jjj h LEU 32 N 0.82 1.04 -0.01 0.00 3.38 -1.88 -1.92 115.31 116.75 1jjj h LEU 32 Ca 0.22 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jjj h LEU 32 Cb -0.02 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 1jjj h LEU 32 CO -0.04 1.03 0.01 0.03 0.09 0.00 0.00 178.44 179.55 1jjj h ARG 33 N 1.03 0.01 -0.27 1.13 3.08 -0.87 -0.45 114.38 118.03 1jjj h ARG 33 Ca 0.20 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.32 1jjj h ARG 33 Cb 0.42 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 1jjj h ARG 33 CO 0.01 0.01 -0.19 -0.22 -1.07 0.00 0.00 179.97 178.51 1jjj h LYS 34 N 0.00 -0.17 0.06 0.04 3.64 -1.10 -0.13 116.57 118.92 1jjj h LYS 34 Ca 0.00 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1jjj h LYS 34 Cb 0.01 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1jjj h LYS 34 CO -0.00 -0.11 -0.31 1.98 -2.27 0.00 0.00 179.45 178.74 1jjj h MET 35 N -0.18 -0.48 -0.71 1.90 4.05 -1.33 -2.09 114.93 116.09 1jjj h MET 35 Ca 0.15 0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.55 1jjj h MET 35 Cb 0.40 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.28 1jjj h MET 35 CO -0.38 -0.32 0.27 0.78 0.23 0.00 0.00 176.91 177.49 1jjj h GLY 36 N -0.49 1.16 0.91 1.39 0.00 -1.01 -1.77 103.07 103.25 1jjj h GLY 36 Ca 0.05 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 1jjj h GLY 36 CO -0.22 0.61 -0.01 0.00 0.00 0.00 0.00 176.54 176.92 1jjj h ALA 37 N 1.13 0.46 0.00 3.60 0.00 -1.08 -3.28 119.26 120.09 1jjj h ALA 37 Ca 0.23 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1jjj h ALA 37 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1jjj h ALA 37 CO -0.02 0.24 -0.34 0.00 0.00 0.00 0.00 179.25 179.13 1jjj h MET 38 N 0.42 0.00 -6.55 0.00 3.00 -1.43 -3.46 114.93 106.91 1jjj h MET 38 Ca 0.10 0.00 -0.54 0.00 0.00 0.00 0.00 59.70 59.26 1jjj h MET 38 Cb 0.48 0.00 0.05 0.00 0.00 0.00 0.00 31.60 32.12 1jjj h MET 38 CO 0.02 0.34 1.03 0.00 0.00 0.00 0.00 176.91 178.31 1jjj n ALA 39 N -2.30 2.23 -3.62 -3.00 0.00 -0.67 -5.00 120.51 108.15 1jjj n ALA 39 Ca -0.00 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.48 1jjj n ALA 39 Cb 0.48 -2.53 -0.08 0.00 0.00 0.00 0.00 19.45 17.32 1jjj n ALA 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jjj n LYS 40 N 4.81 2.51 -2.60 0.00 3.00 -1.26 -5.00 118.16 119.62 1jjj n LYS 40 Ca 0.17 -4.54 -0.40 0.00 -0.00 0.00 0.00 58.31 53.55 1jjj n LYS 40 Cb 0.35 -2.35 -0.05 0.00 0.00 0.00 0.00 35.03 32.98 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 -1.78 4.70 -0.92 1.64 0.04 -1.26 -4.67 135.00 132.75 1jjj s PRO 41 Ca 0.30 1.64 -0.20 0.00 0.04 0.00 0.00 61.00 62.78 1jjj s PRO 41 Cb -0.00 -3.17 0.10 0.00 0.04 0.00 0.00 34.50 31.47 1jjj s PRO 41 CO -0.10 0.32 1.18 -0.51 0.04 0.00 0.00 177.00 177.93 1jjj s ASP 42 N -1.07 6.54 -0.35 6.66 1.11 -0.49 -1.74 116.67 127.33 1jjj s ASP 42 Ca 0.44 -1.77 -0.21 0.00 0.18 0.00 0.00 52.55 51.20 1jjj s ASP 42 Cb -0.28 -2.44 0.00 0.00 1.07 0.00 0.00 42.92 41.27 1jjj s ASP 42 CO 0.36 -1.22 0.66 0.00 1.18 0.00 0.00 175.17 176.16 1jjj s ILE 44 N 2.77 5.03 -0.23 0.00 1.01 -0.00 -0.80 121.20 128.98 1jjj s ILE 44 Ca 0.26 0.79 -0.07 0.00 0.00 0.00 0.00 60.65 61.63 1jjj s ILE 44 Cb -0.14 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1jjj s ILE 44 CO 0.15 -0.01 0.07 -0.63 0.00 0.00 0.00 174.94 174.52 1jjj s ILE 45 N 2.38 4.39 -0.02 2.92 1.01 -0.30 -1.72 121.20 129.87 1jjj s ILE 45 Ca 0.22 -0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.71 1jjj s ILE 45 Cb -0.15 -3.03 0.02 0.00 0.01 0.00 0.00 42.46 39.30 1jjj s ILE 45 CO 0.10 0.37 0.03 -0.89 0.00 0.00 0.00 174.94 174.55 1jjj s THR 46 N 1.33 -0.03 -0.05 2.92 2.01 -0.91 -1.57 115.64 119.33 1jjj s THR 46 Ca 0.05 0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.17 1jjj s THR 46 Cb -0.15 -0.07 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 1jjj s THR 46 CO 0.03 0.05 -0.00 0.00 -0.69 0.00 0.00 174.62 174.01 1jjj n ASP 48 N 1.86 0.00 0.00 0.00 2.03 -0.52 -5.02 116.55 114.90 1jjj n ASP 48 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1jjj n ASP 48 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 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 5.00 0.82 0.13 0.27 0.00 -1.26 -4.84 105.19 105.31 1jjj n GLY 49 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.30 -6.26 1.61 1.57 -1.95 -3.47 116.57 108.38 1jjj h LYS 50 Ca 0.00 -0.52 -0.56 0.00 -1.87 0.00 0.00 60.65 57.70 1jjj h LYS 50 Cb 0.00 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1jjj h LYS 50 CO 0.00 1.18 1.01 0.54 -0.57 0.00 0.00 179.45 181.62 1jjj s ASN 51 N -7.08 6.66 -0.17 0.86 2.20 -1.26 -0.40 114.94 115.75 1jjj s ASN 51 Ca -0.13 1.62 0.01 0.00 -0.94 0.00 0.00 52.86 53.41 1jjj s ASN 51 Cb 0.06 -2.54 0.03 0.00 -2.00 0.00 0.00 41.25 36.80 1jjj s ASN 51 CO 0.84 -1.02 -0.14 -0.22 -2.94 0.00 0.00 177.10 173.63 1jjj s LEU 52 N 4.31 1.96 -0.22 3.54 0.20 -0.04 -1.43 118.68 127.00 1jjj s LEU 52 Ca 0.63 -0.64 -0.16 0.00 0.69 0.00 0.00 54.13 54.65 1jjj s LEU 52 Cb -0.23 -1.25 -0.04 0.00 -0.43 0.00 0.00 46.19 44.24 1jjj s LEU 52 CO 0.23 -0.07 0.40 -0.89 -0.29 0.00 0.00 176.35 175.73 1jjj s THR 53 N 1.42 5.18 -0.32 3.68 2.01 -0.16 -1.02 115.64 126.44 1jjj s THR 53 Ca 0.03 0.69 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1jjj s THR 53 Cb -0.14 -3.73 0.07 0.00 0.01 0.00 0.00 72.50 68.71 1jjj s THR 53 CO -0.10 0.22 0.02 -0.63 -0.69 0.00 0.00 174.62 173.43 1jjj s ILE 54 N 1.57 2.70 -0.25 1.82 1.01 -0.06 -2.14 121.20 125.83 1jjj s ILE 54 Ca 0.18 -1.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.02 1jjj s ILE 54 Cb -0.15 -2.70 -0.00 0.00 0.01 0.00 0.00 42.46 39.62 1jjj s ILE 54 CO 0.08 -0.29 0.02 -0.75 0.00 0.00 0.00 174.94 174.01 1jjj s LYS 55 N 1.13 3.30 -0.47 2.79 2.20 -0.70 -1.27 119.74 126.72 1jjj s LYS 55 Ca -0.01 -0.70 -0.25 0.00 -0.36 0.00 0.00 55.97 54.66 1jjj s LYS 55 Cb -0.20 -3.20 0.03 0.00 -1.51 0.00 0.00 37.83 32.95 1jjj s LYS 55 CO -0.04 -0.30 0.90 0.99 -0.36 0.00 0.00 175.35 176.54 1jjj s THR 56 N 1.50 4.50 -0.78 3.43 2.01 -1.01 -0.82 115.64 124.47 1jjj s THR 56 Ca 0.04 0.62 -0.15 0.00 0.31 0.00 0.00 61.69 62.51 1jjj s THR 56 Cb -0.16 -4.43 0.19 0.00 0.01 0.00 0.00 72.50 68.12 1jjj s THR 56 CO 0.00 -0.85 0.76 -1.61 -0.69 0.00 0.00 174.62 172.23 1jjj s GLU 57 N 3.69 3.48 -0.02 4.92 2.02 -0.83 -4.17 118.70 127.78 1jjj s GLU 57 Ca 0.35 -2.23 0.05 0.00 0.02 0.00 0.00 54.97 53.16 1jjj s GLU 57 Cb -0.11 -4.45 -0.01 0.00 0.10 0.00 0.00 34.13 29.67 1jjj s GLU 57 CO 0.25 -1.35 -0.17 0.45 0.02 0.00 0.00 175.26 174.46 1jjj s SER 58 N 2.59 1.99 0.00 -0.19 0.15 -1.26 -1.39 113.70 115.59 1jjj s SER 58 Ca 0.17 -0.31 -0.05 0.00 0.70 0.00 0.00 55.95 56.46 1jjj s SER 58 Cb -0.13 -0.27 -0.22 0.00 -1.71 0.00 0.00 66.02 63.68 1jjj s SER 58 CO -0.06 0.20 3.11 0.35 1.20 0.00 0.00 173.24 178.03 1jjj n THR 59 N 2.74 2.51 0.04 6.45 -2.24 -1.26 -3.44 114.28 119.08 1jjj n THR 59 Ca -0.15 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.38 1jjj n THR 59 Cb 0.54 -1.91 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 1jjj n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jjj n LEU 60 N 2.56 -0.49 -3.50 3.22 4.77 -1.26 -5.11 117.00 117.18 1jjj n LEU 60 Ca 0.36 0.15 -0.06 0.00 -0.03 0.00 0.00 56.01 56.42 1jjj n LEU 60 Cb 0.77 0.69 -0.07 0.00 -2.33 0.00 0.00 43.42 42.47 1jjj n LEU 60 CO 0.14 -0.44 0.05 -0.75 -1.33 0.00 0.00 177.39 175.06 1jjj s LYS 61 N -2.00 0.39 -0.79 3.23 2.47 -1.22 -5.12 119.74 116.70 1jjj s LYS 61 Ca 0.00 0.94 -0.16 0.00 -1.56 0.00 0.00 55.97 55.19 1jjj s LYS 61 Cb 0.00 0.19 0.18 0.00 -1.46 0.00 0.00 37.83 36.74 1jjj s LYS 61 CO 0.00 -0.41 0.80 0.95 0.16 0.00 0.00 175.35 176.85 1jjj s THR 62 N 2.66 5.32 -0.30 3.43 -4.23 -1.26 -4.53 115.64 116.73 1jjj s THR 62 Ca 0.05 -2.04 -0.21 0.00 -1.18 0.00 0.00 61.69 58.31 1jjj s THR 62 Cb -0.13 -4.52 -0.01 0.00 1.34 0.00 0.00 72.50 69.18 1jjj s THR 62 CO -0.15 -1.11 0.68 -0.89 -0.54 0.00 0.00 174.62 172.60 1jjj s THR 63 N 1.07 4.90 0.00 3.99 2.01 -1.26 -4.90 115.64 121.46 1jjj s THR 63 Ca 0.18 0.99 0.04 0.00 0.31 0.00 0.00 61.69 63.21 1jjj s THR 63 Cb -0.13 -4.04 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 1jjj s THR 63 CO -0.06 -0.15 -0.13 0.00 -0.69 0.00 0.00 174.62 173.59 1jjj s GLN 64 N 2.70 1.00 -0.12 4.92 1.03 -1.26 -2.41 119.66 125.52 1jjj s GLN 64 Ca 0.27 -0.55 -0.23 0.00 0.04 0.00 0.00 55.36 54.90 1jjj s GLN 64 Cb -0.15 -0.98 0.05 0.00 0.03 0.00 0.00 33.01 31.97 1jjj s GLN 64 CO 0.12 0.26 0.57 -0.59 -2.54 0.00 0.00 175.29 173.10 1jjj s PHE 65 N -0.47 -0.56 -0.42 9.60 -0.12 -0.39 -5.01 117.98 120.61 1jjj s PHE 65 Ca 0.04 1.17 -0.14 0.00 -0.05 0.00 0.00 56.93 57.95 1jjj s PHE 65 Cb -0.06 0.26 0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1jjj s PHE 65 CO 0.00 -0.43 0.31 -1.54 -0.05 0.00 0.00 175.22 173.51 1jjj s SER 66 N -0.51 6.02 -0.11 1.98 1.04 -1.26 -0.89 113.70 119.97 1jjj s SER 66 Ca -0.06 -1.10 -0.17 0.00 0.48 0.00 0.00 55.95 55.09 1jjj s SER 66 Cb -0.03 -2.13 -0.04 0.00 0.10 0.00 0.00 66.02 63.92 1jjj s SER 66 CO 0.05 -0.51 0.45 0.00 0.98 0.00 0.00 173.24 174.21 1jjj s THR 68 N 0.41 4.54 0.04 0.00 -4.23 -1.26 -0.86 115.64 114.28 1jjj s THR 68 Ca 0.25 1.84 -0.30 0.00 -1.18 0.00 0.00 61.69 62.29 1jjj s THR 68 Cb -0.15 -4.18 -0.05 0.00 1.34 0.00 0.00 72.50 69.46 1jjj s THR 68 CO 0.10 -0.07 1.13 -0.22 -0.54 0.00 0.00 174.62 175.02 1jjj s LEU 69 N 2.64 4.37 0.00 4.79 2.96 0.46 -1.96 118.68 131.93 1jjj s LEU 69 Ca 0.50 1.91 0.00 0.00 -0.22 0.00 0.00 54.13 56.32 1jjj s LEU 69 Cb -0.20 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1jjj s LEU 69 CO 0.15 -0.41 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 1jjj n GLY 70 N 3.13 2.78 3.83 7.98 0.00 0.69 -4.87 105.19 118.72 1jjj n GLY 70 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.07 2.97 -0.33 1.61 2.12 -0.83 -4.82 118.70 119.36 1jjj s GLU 71 Ca 0.00 -0.97 -0.16 0.00 0.36 0.00 0.00 54.97 54.20 1jjj s GLU 71 Cb 0.00 -2.62 -0.01 0.00 0.26 0.00 0.00 34.13 31.76 1jjj s GLU 71 CO 0.00 0.43 0.42 0.21 -0.54 0.00 0.00 175.26 175.78 1jjj s LYS 72 N -3.61 3.69 0.07 4.30 2.20 -1.26 -2.72 119.74 122.41 1jjj s LYS 72 Ca 0.32 -0.22 0.07 0.00 -0.36 0.00 0.00 55.97 55.78 1jjj s LYS 72 Cb -0.09 -3.77 -0.03 0.00 -1.51 0.00 0.00 37.83 32.43 1jjj s LYS 72 CO 0.25 -0.51 -0.18 -0.59 -0.36 0.00 0.00 175.35 173.96 1jjj s PHE 73 N 2.15 1.58 -0.68 4.03 -0.71 -0.77 -4.80 117.98 118.79 1jjj s PHE 73 Ca 0.15 -0.40 -0.26 0.00 -1.04 0.00 0.00 56.93 55.37 1jjj s PHE 73 Cb -0.16 -0.90 0.04 0.00 -1.21 0.00 0.00 43.02 40.79 1jjj s PHE 73 CO 0.12 0.12 1.18 -2.00 -1.34 0.00 0.00 175.22 173.29 1jjj s GLU 74 N -1.58 3.25 -0.24 1.99 2.12 -1.26 -0.52 118.70 122.46 1jjj s GLU 74 Ca 0.04 -0.26 -0.21 0.00 0.36 0.00 0.00 54.97 54.90 1jjj s GLU 74 Cb -0.09 -4.15 -0.02 0.00 0.26 0.00 0.00 34.13 30.13 1jjj s GLU 74 CO 0.03 -1.94 0.67 -2.00 -0.54 0.00 0.00 175.26 171.48 1jjj s GLU 75 N 5.13 4.14 -0.75 4.30 -6.30 -0.32 -4.83 118.70 120.07 1jjj s GLU 75 Ca 0.34 0.64 -0.21 0.00 -2.50 0.00 0.00 54.97 53.24 1jjj s GLU 75 Cb -0.10 -3.64 0.10 0.00 0.00 0.00 0.00 34.13 30.49 1jjj s GLU 75 CO 0.16 -0.41 0.99 0.99 0.02 0.00 0.00 175.26 177.01 1jjj s THR 76 N 2.50 4.53 0.74 -1.70 2.01 -1.26 -0.81 115.64 121.64 1jjj s THR 76 Ca 0.28 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.29 1jjj s THR 76 Cb -0.15 -4.69 0.04 0.00 0.01 0.00 0.00 72.50 67.70 1jjj s THR 76 CO 0.08 -1.43 1.10 0.42 -0.69 0.00 0.00 174.62 174.10 1jjj s THR 77 N 3.40 3.25 0.39 -0.82 -4.23 -0.86 -4.94 115.64 111.84 1jjj s THR 77 Ca 0.24 0.47 0.19 0.00 -1.18 0.00 0.00 61.69 61.41 1jjj s THR 77 Cb -0.14 -2.96 0.39 0.00 1.34 0.00 0.00 72.50 71.14 1jjj s THR 77 CO 0.03 -0.47 1.74 0.00 -0.54 0.00 0.00 174.62 175.38 1jjj h ALA 78 N -0.72 2.23 -0.38 3.99 0.00 -1.96 -1.98 119.26 120.44 1jjj h ALA 78 Ca -0.45 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1jjj h ALA 78 Cb 1.24 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1jjj h ALA 78 CO 0.52 -0.68 -0.19 -0.44 0.00 0.00 0.00 179.25 178.45 1jjj h ASP 79 N 0.37 0.73 0.00 0.00 3.32 -1.98 -3.48 116.42 115.38 1jjj h ASP 79 Ca 0.63 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1jjj h ASP 79 Cb 1.61 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1jjj h ASP 79 CO -0.35 0.92 0.00 0.61 -1.72 0.00 0.00 179.24 178.70 1jjj n GLY 80 N -0.32 1.39 3.63 2.75 0.00 -0.74 -5.12 105.19 106.78 1jjj n GLY 80 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 3.88 -0.48 1.61 0.52 -1.26 -4.86 118.95 118.37 1jjj s ARG 81 Ca 0.00 1.57 -0.23 0.00 -0.52 0.00 0.00 55.73 56.55 1jjj s ARG 81 Cb 0.00 -3.97 0.03 0.00 0.52 0.00 0.00 34.95 31.53 1jjj s ARG 81 CO 0.00 -1.17 0.83 0.15 0.02 0.00 0.00 175.30 175.13 1jjj s LYS 82 N 4.40 3.38 -0.34 3.54 1.02 -1.26 -2.03 119.74 128.45 1jjj s LYS 82 Ca 0.66 -0.17 -0.09 0.00 0.02 0.00 0.00 55.97 56.39 1jjj s LYS 82 Cb -0.23 -3.98 0.02 0.00 -0.52 0.00 0.00 37.83 33.13 1jjj s LYS 82 CO 0.26 -1.23 0.14 0.95 -0.92 0.00 0.00 175.35 174.55 1jjj s THR 83 N 3.47 4.21 -0.56 2.17 -4.23 0.01 -4.81 115.64 115.90 1jjj s THR 83 Ca 0.30 -0.85 -0.27 0.00 -1.18 0.00 0.00 61.69 59.69 1jjj s THR 83 Cb -0.12 -3.30 -0.02 0.00 1.34 0.00 0.00 72.50 70.40 1jjj s THR 83 CO 0.21 -0.11 1.87 -1.10 -0.54 0.00 0.00 174.62 174.95 1jjj s GLN 84 N 1.50 2.73 -0.29 3.99 -1.52 0.01 -1.17 119.66 124.91 1jjj s GLN 84 Ca 0.01 0.79 -0.03 0.00 -1.95 0.00 0.00 55.36 54.18 1jjj s GLN 84 Cb -0.19 -4.36 0.03 0.00 -0.22 0.00 0.00 33.01 28.28 1jjj s GLN 84 CO 0.05 -2.59 0.01 0.99 -0.25 0.00 0.00 175.29 173.49 1jjj s THR 85 N 8.81 3.26 -0.39 -0.19 2.01 0.32 -1.97 115.64 127.49 1jjj s THR 85 Ca 0.71 -1.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.32 1jjj s THR 85 Cb -0.14 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.62 1jjj s THR 85 CO 0.23 0.01 1.05 0.54 -0.69 0.00 0.00 174.62 175.76 1jjj s VAL 86 N 1.34 4.42 -0.42 3.82 0.11 -0.74 -1.84 120.40 127.09 1jjj s VAL 86 Ca -0.02 1.37 -0.17 0.00 -2.93 0.00 0.00 61.98 60.23 1jjj s VAL 86 Cb -0.18 -4.46 0.02 0.00 -1.53 0.00 0.00 36.38 30.23 1jjj s VAL 86 CO -0.01 -0.69 0.44 0.00 -3.33 0.00 0.00 175.10 171.50 1jjj s ASN 88 N 1.82 1.69 0.05 0.00 4.22 -0.63 -0.22 114.94 121.87 1jjj s ASN 88 Ca 0.12 -0.16 -0.22 0.00 -2.14 0.00 0.00 52.86 50.46 1jjj s ASN 88 Cb -0.17 -0.57 -0.06 0.00 1.28 0.00 0.00 41.25 41.73 1jjj s ASN 88 CO 0.13 -0.15 0.64 0.12 -2.04 0.00 0.00 177.10 175.81 1jjj s PHE 89 N 1.73 3.76 -0.14 1.54 5.36 -1.26 -0.92 117.98 128.05 1jjj s PHE 89 Ca 0.03 1.33 -0.03 0.00 -0.96 0.00 0.00 56.93 57.29 1jjj s PHE 89 Cb -0.13 -2.63 0.05 0.00 -0.34 0.00 0.00 43.02 39.97 1jjj s PHE 89 CO -0.05 0.44 0.06 -0.08 -1.46 0.00 0.00 175.22 174.12 1jjj s THR 90 N -0.60 0.15 0.00 0.12 -1.32 -0.05 -4.99 115.64 108.96 1jjj s THR 90 Ca 0.32 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1jjj s THR 90 Cb -0.20 -0.63 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 1jjj s THR 90 CO 0.20 -0.10 0.00 -0.67 -2.21 0.00 0.00 174.62 171.84 1jjj n ASP 91 N 5.20 0.00 -2.60 8.08 2.03 -1.26 -2.01 116.55 125.99 1jjj n ASP 91 Ca -0.07 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.14 1jjj n ASP 91 Cb 0.49 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.92 1jjj n ASP 91 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 92 N 0.00 3.08 3.11 0.27 0.00 -1.26 -4.77 105.19 105.62 1jjj n GLY 92 Ca 0.00 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.58 -0.90 -0.45 4.61 0.00 -0.85 -3.02 121.76 117.56 1jjj s ALA 93 Ca 0.34 1.17 -0.22 0.00 0.00 0.00 0.00 51.96 53.25 1jjj s ALA 93 Cb 0.38 -1.26 0.03 0.00 0.00 0.00 0.00 23.12 22.26 1jjj s ALA 93 CO -0.02 -0.80 0.71 -1.17 0.00 0.00 0.00 175.76 174.49 1jjj s LEU 94 N 2.52 4.40 -0.50 0.00 2.96 -0.25 -0.87 118.68 126.94 1jjj s LEU 94 Ca 0.02 -0.26 -0.24 0.00 -0.22 0.00 0.00 54.13 53.42 1jjj s LEU 94 Cb -0.13 -2.83 0.03 0.00 0.50 0.00 0.00 46.19 43.77 1jjj s LEU 94 CO -0.12 -0.86 0.91 -0.69 -1.32 0.00 0.00 176.35 174.28 1jjj s VAL 95 N 3.06 4.46 -0.84 1.68 1.01 -0.10 -0.92 120.40 128.75 1jjj s VAL 95 Ca 0.26 0.48 -0.21 0.00 0.00 0.00 0.00 61.98 62.51 1jjj s VAL 95 Cb -0.13 -4.46 0.09 0.00 0.00 0.00 0.00 36.38 31.87 1jjj s VAL 95 CO 0.20 -0.94 1.13 -1.58 0.00 0.00 0.00 175.10 173.91 1jjj s GLN 96 N 3.76 3.40 -0.68 2.72 0.74 0.13 -1.61 119.66 128.12 1jjj s GLN 96 Ca 0.33 -1.24 -0.20 0.00 0.05 0.00 0.00 55.36 54.30 1jjj s GLN 96 Cb -0.11 -4.70 0.10 0.00 1.10 0.00 0.00 33.01 29.40 1jjj s GLN 96 CO 0.23 -1.88 0.87 -1.58 -0.55 0.00 0.00 175.29 172.37 1jjj s HIS 97 N 3.72 2.94 -0.32 1.67 5.65 -0.74 -1.69 115.29 126.52 1jjj s HIS 97 Ca 0.31 -0.94 -0.23 0.00 0.25 0.00 0.00 55.06 54.45 1jjj s HIS 97 Cb -0.09 -4.15 0.00 0.00 -1.18 0.00 0.00 32.58 27.17 1jjj s HIS 97 CO -0.01 -1.44 0.76 -0.65 -0.65 0.00 0.00 174.74 172.75 1jjj s GLN 98 N 3.04 3.91 -0.12 2.88 -1.52 0.02 -1.79 119.66 126.08 1jjj s GLN 98 Ca 0.19 0.48 0.02 0.00 -1.95 0.00 0.00 55.36 54.10 1jjj s GLN 98 Cb -0.18 -3.74 0.01 0.00 -0.22 0.00 0.00 33.01 28.88 1jjj s GLN 98 CO 0.04 -0.69 -0.18 -2.00 -0.25 0.00 0.00 175.29 172.22 1jjj s GLU 99 N 2.91 2.49 -0.10 2.91 -6.30 -0.83 -1.05 118.70 118.73 1jjj s GLU 99 Ca 0.31 -0.66 -0.04 0.00 -2.50 0.00 0.00 54.97 52.08 1jjj s GLU 99 Cb -0.14 -2.06 0.05 0.00 0.00 0.00 0.00 34.13 31.98 1jjj s GLU 99 CO 0.13 -0.03 0.19 1.67 0.02 0.00 0.00 175.26 177.24 1jjj s TRP 100 N 0.89 -0.26 -0.93 5.30 -2.14 -0.08 -0.81 118.94 120.91 1jjj s TRP 100 Ca -0.08 0.73 0.00 0.00 2.66 0.00 0.00 56.10 59.41 1jjj s TRP 100 Cb -0.15 -0.18 0.00 0.00 -3.10 0.00 0.00 33.47 30.03 1jjj s TRP 100 CO -0.01 -0.30 0.00 -0.25 -2.66 0.00 0.00 176.95 173.73 1jjj n ASP 101 N 5.31 -5.32 0.00 -2.66 8.00 -1.26 -1.03 116.55 119.58 1jjj n ASP 101 Ca -0.06 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1jjj n ASP 101 Cb 0.50 -3.59 0.00 0.00 -0.02 0.00 0.00 41.12 38.01 1jjj n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 102 N -0.22 2.92 3.71 0.44 0.00 -1.26 -5.06 105.19 105.72 1jjj n GLY 102 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.05 4.49 0.01 1.61 1.02 -0.20 -5.07 119.74 121.55 1jjj s LYS 103 Ca 0.00 1.58 -0.01 0.00 0.02 0.00 0.00 55.97 57.56 1jjj s LYS 103 Cb 0.00 -3.42 -0.01 0.00 -0.52 0.00 0.00 37.83 33.88 1jjj s LYS 103 CO 0.00 -0.17 0.01 -1.83 -0.92 0.00 0.00 175.35 172.44 1jjj s GLU 104 N 1.14 0.28 -0.04 1.68 -1.05 -1.26 -0.90 118.70 118.55 1jjj s GLU 104 Ca 0.55 -0.45 0.06 0.00 -0.15 0.00 0.00 54.97 54.98 1jjj s GLU 104 Cb -0.25 0.10 -0.02 0.00 -0.44 0.00 0.00 34.13 33.53 1jjj s GLU 104 CO 0.28 -0.05 -0.23 0.45 0.95 0.00 0.00 175.26 176.66 1jjj s SER 105 N -1.15 3.29 -0.30 0.83 0.15 -0.22 -4.50 113.70 111.79 1jjj s SER 105 Ca -0.13 -0.42 -0.05 0.00 0.70 0.00 0.00 55.95 56.05 1jjj s SER 105 Cb -0.08 -0.63 0.03 0.00 -1.71 0.00 0.00 66.02 63.63 1jjj s SER 105 CO -0.00 0.30 0.06 0.42 1.20 0.00 0.00 173.24 175.21 1jjj s THR 106 N -0.47 3.61 -0.37 6.45 -4.23 0.04 -0.80 115.64 119.87 1jjj s THR 106 Ca 0.06 -0.99 0.04 0.00 -1.18 0.00 0.00 61.69 59.61 1jjj s THR 106 Cb -0.11 -2.95 0.11 0.00 1.34 0.00 0.00 72.50 70.88 1jjj s THR 106 CO 0.01 -0.02 0.09 -0.63 -0.54 0.00 0.00 174.62 173.53 1jjj s ILE 107 N 1.41 2.24 -0.57 2.99 1.01 -0.68 -2.19 121.20 125.41 1jjj s ILE 107 Ca -0.00 -2.47 -0.19 0.00 0.00 0.00 0.00 60.65 57.99 1jjj s ILE 107 Cb -0.18 -2.64 0.09 0.00 0.01 0.00 0.00 42.46 39.73 1jjj s ILE 107 CO 0.01 -0.64 0.69 -0.89 0.00 0.00 0.00 174.94 174.11 1jjj s THR 108 N 0.73 4.81 -0.76 2.92 2.01 -0.17 -0.69 115.64 124.49 1jjj s THR 108 Ca 0.12 -0.81 -0.22 0.00 0.31 0.00 0.00 61.69 61.10 1jjj s THR 108 Cb -0.20 -4.44 0.08 0.00 0.01 0.00 0.00 72.50 67.95 1jjj s THR 108 CO -0.07 -1.04 1.06 -0.13 -0.69 0.00 0.00 174.62 173.74 1jjj s ARG 109 N 2.74 3.29 0.08 4.92 0.52 -0.10 -1.91 118.95 128.48 1jjj s ARG 109 Ca 0.13 -1.10 0.07 0.00 -0.52 0.00 0.00 55.73 54.31 1jjj s ARG 109 Cb -0.22 -4.50 -0.03 0.00 0.52 0.00 0.00 34.95 30.71 1jjj s ARG 109 CO 0.08 -1.84 -0.17 -1.59 0.02 0.00 0.00 175.30 171.79 1jjj s LYS 110 N 3.79 0.99 -0.24 3.54 -2.85 -0.69 -1.09 119.74 123.18 1jjj s LYS 110 Ca 0.27 -1.04 -0.09 0.00 -1.00 0.00 0.00 55.97 54.12 1jjj s LYS 110 Cb -0.12 -1.12 -0.04 0.00 -2.06 0.00 0.00 37.83 34.49 1jjj s LYS 110 CO 0.03 0.26 0.12 -1.17 0.10 0.00 0.00 175.35 174.69 1jjj s LEU 111 N -1.75 3.79 -0.10 2.77 1.98 -1.17 -0.72 118.68 123.48 1jjj s LEU 111 Ca 0.02 -0.04 -0.00 0.00 -2.89 0.00 0.00 54.13 51.23 1jjj s LEU 111 Cb -0.10 -2.02 0.02 0.00 0.66 0.00 0.00 46.19 44.76 1jjj s LEU 111 CO 0.03 0.02 -0.08 -0.54 -1.89 0.00 0.00 176.35 173.90 1jjj s LYS 112 N 1.29 1.46 -1.31 1.98 3.01 -0.51 -4.97 119.74 120.69 1jjj s LYS 112 Ca 0.06 -0.25 -0.05 0.00 -1.01 0.00 0.00 55.97 54.72 1jjj s LYS 112 Cb -0.14 -1.49 0.01 0.00 -1.01 0.00 0.00 37.83 35.20 1jjj s LYS 112 CO 0.05 -0.22 1.06 -0.25 0.51 0.00 0.00 175.35 176.51 1jjj n ASP 113 N 4.75 -4.24 -3.16 2.83 8.00 -1.26 -1.25 116.55 122.22 1jjj n ASP 113 Ca -0.14 -0.61 -0.23 0.00 0.71 0.00 0.00 54.79 54.52 1jjj n ASP 113 Cb 0.50 -4.89 0.03 0.00 -0.02 0.00 0.00 41.12 36.74 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 -1.63 -0.52 2.80 0.44 0.00 -1.26 -5.04 105.19 99.99 1jjj n GLY 114 Ca -0.12 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -5.84 0.31 -0.52 1.61 -0.14 -0.38 -3.23 119.74 111.56 1jjj s LYS 115 Ca 0.35 0.10 -0.23 0.00 -1.36 0.00 0.00 55.97 54.84 1jjj s LYS 115 Cb -0.16 -0.55 0.04 0.00 -1.68 0.00 0.00 37.83 35.48 1jjj s LYS 115 CO 0.44 -0.17 0.85 -1.17 -0.76 0.00 0.00 175.35 174.54 1jjj s LEU 116 N 1.23 4.28 -0.46 3.17 2.96 -0.19 -1.42 118.68 128.26 1jjj s LEU 116 Ca -0.07 -0.38 -0.17 0.00 -0.22 0.00 0.00 54.13 53.30 1jjj s LEU 116 Cb -0.13 -2.80 0.05 0.00 0.50 0.00 0.00 46.19 43.80 1jjj s LEU 116 CO -0.02 -1.09 0.44 -0.69 -1.32 0.00 0.00 176.35 173.66 1jjj s VAL 117 N 3.56 5.14 -0.55 1.68 1.01 0.10 -1.24 120.40 130.10 1jjj s VAL 117 Ca 0.28 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1jjj s VAL 117 Cb -0.13 -4.12 0.14 0.00 0.00 0.00 0.00 36.38 32.27 1jjj s VAL 117 CO 0.19 -0.55 0.45 -0.69 0.00 0.00 0.00 175.10 174.49 1jjj s VAL 118 N 1.95 4.63 -0.38 2.92 1.01 -0.10 -1.70 120.40 128.72 1jjj s VAL 118 Ca 0.08 -1.89 -0.20 0.00 0.00 0.00 0.00 61.98 59.98 1jjj s VAL 118 Cb -0.21 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1jjj s VAL 118 CO 0.10 -0.84 0.61 -1.61 0.00 0.00 0.00 175.10 173.35 1jjj s GLU 119 N 1.17 3.52 -0.12 2.72 2.02 -0.80 -1.11 118.70 126.10 1jjj s GLU 119 Ca 0.07 -0.15 0.01 0.00 0.02 0.00 0.00 54.97 54.92 1jjj s GLU 119 Cb -0.25 -3.86 0.02 0.00 0.10 0.00 0.00 34.13 30.14 1jjj s GLU 119 CO -0.01 -0.81 -0.12 0.00 0.02 0.00 0.00 175.26 174.34 1jjj s VAL 121 N 1.38 -0.02 0.00 0.00 0.11 -0.93 -0.55 120.40 120.39 1jjj s VAL 121 Ca 0.01 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1jjj s VAL 121 Cb -0.13 -0.05 0.00 0.00 -1.53 0.00 0.00 36.38 34.67 1jjj s VAL 121 CO -0.07 0.03 0.00 0.80 -3.33 0.00 0.00 175.10 172.53 1jjj n MET 122 N 3.41 0.00 0.11 1.54 1.56 -1.23 -0.78 117.12 121.72 1jjj n MET 122 Ca -0.17 0.09 0.00 0.00 -0.27 0.00 0.00 57.70 57.35 1jjj n MET 122 Cb 0.57 -0.42 0.00 0.00 2.15 0.00 0.00 33.22 35.52 1jjj n MET 122 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1jjj n ASN 123 N -1.39 -0.15 -0.05 6.12 0.23 -1.26 -4.66 115.26 114.09 1jjj n ASN 123 Ca 0.00 0.36 -0.08 0.00 -0.53 0.00 0.00 54.58 54.34 1jjj n ASN 123 Cb 0.00 0.32 -0.07 0.00 -2.08 0.00 0.00 39.78 37.95 1jjj n ASN 123 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1jjj h ASN 124 N 0.00 -0.02 -3.58 0.53 -1.24 -1.99 -3.47 115.58 105.81 1jjj h ASN 124 Ca 0.00 -0.50 -0.61 0.00 0.71 0.00 0.00 56.30 55.89 1jjj h ASN 124 Cb 0.00 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 38.92 1jjj h ASN 124 CO 0.00 0.72 -0.32 -0.69 -1.29 0.00 0.00 177.43 175.85 1jjj s VAL 125 N -2.03 5.25 -0.34 2.57 1.01 -1.26 -5.07 120.40 120.53 1jjj s VAL 125 Ca -0.10 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 1jjj s VAL 125 Cb -0.01 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 1jjj s VAL 125 CO 0.37 0.26 0.21 0.42 0.00 0.00 0.00 175.10 176.36 1jjj s THR 126 N 1.40 4.94 0.19 3.92 -4.23 -1.26 -3.56 115.64 117.03 1jjj s THR 126 Ca 0.14 -0.43 0.04 0.00 -1.18 0.00 0.00 61.69 60.25 1jjj s THR 126 Cb -0.15 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 1jjj s THR 126 CO 0.07 -0.05 0.31 0.00 -0.54 0.00 0.00 174.62 174.41 1jjj s THR 128 N -1.86 0.94 -0.33 0.00 2.01 -0.47 -1.33 115.64 114.59 1jjj s THR 128 Ca 0.34 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.91 1jjj s THR 128 Cb -0.10 -1.05 0.02 0.00 0.01 0.00 0.00 72.50 71.38 1jjj s THR 128 CO 0.28 0.25 0.13 -0.13 -0.69 0.00 0.00 174.62 174.46 1jjj s ARG 129 N 1.73 2.86 -0.23 4.92 0.52 -0.27 -2.24 118.95 126.23 1jjj s ARG 129 Ca 0.03 -1.03 -0.14 0.00 -0.52 0.00 0.00 55.73 54.07 1jjj s ARG 129 Cb -0.14 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 1jjj s ARG 129 CO -0.08 -0.60 0.32 0.42 0.02 0.00 0.00 175.30 175.39 1jjj s ILE 130 N 1.49 5.24 -0.12 1.52 -1.09 -0.59 -0.93 121.20 126.73 1jjj s ILE 130 Ca 0.01 0.51 0.03 0.00 -2.23 0.00 0.00 60.65 58.97 1jjj s ILE 130 Cb -0.19 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1jjj s ILE 130 CO 0.04 0.25 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.47 1jjj s TYR 131 N 1.45 2.56 0.17 3.97 1.51 -0.37 -0.97 117.35 125.67 1jjj s TYR 131 Ca 0.14 -1.15 -0.23 0.00 -1.01 0.00 0.00 57.07 54.82 1jjj s TYR 131 Cb -0.15 -1.73 -0.08 0.00 -0.11 0.00 0.00 41.96 39.89 1jjj s TYR 131 CO 0.08 -0.50 0.74 -1.83 -1.11 0.00 0.00 175.55 172.93 1jjj s GLU 132 N 0.56 4.44 -0.15 -0.62 4.04 -0.09 -1.02 118.70 125.84 1jjj s GLU 132 Ca -0.14 1.03 -0.29 0.00 0.04 0.00 0.00 54.97 55.61 1jjj s GLU 132 Cb -0.17 -3.15 -0.01 0.00 0.02 0.00 0.00 34.13 30.82 1jjj s GLU 132 CO 0.04 0.53 1.22 0.21 -1.84 0.00 0.00 175.26 175.42 1jjj s LYS 133 N -1.38 4.26 -0.62 -4.83 2.20 -1.20 -0.84 119.74 117.33 1jjj s LYS 133 Ca 0.37 1.62 -0.19 0.00 -0.36 0.00 0.00 55.97 57.41 1jjj s LYS 133 Cb -0.21 -3.71 0.11 0.00 -1.51 0.00 0.00 37.83 32.51 1jjj s LYS 133 CO 0.24 -0.64 0.74 0.08 -0.36 0.00 0.00 175.35 175.40 1jjj s VAL 134 N 3.21 4.82 -2.03 4.02 1.01 0.45 -4.99 120.40 126.90 1jjj s VAL 134 Ca 0.53 -1.05 0.16 0.00 0.00 0.00 0.00 61.98 61.62 1jjj s VAL 134 Cb -0.21 -4.51 0.13 0.00 0.00 0.00 0.00 36.38 31.78 1jjj s VAL 134 CO 0.15 -1.16 1.01 -0.62 0.00 0.00 0.00 175.10 174.48