#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3w s VAL 7 N 0.00 0.49 0.05 1.96 1.01 -1.26 -4.99 120.40 117.66 1j3w s VAL 7 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 1j3w s VAL 7 Cb 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 1j3w s VAL 7 CO 0.00 0.27 0.93 -0.76 0.00 0.00 0.00 175.10 175.54 1j3w s LEU 8 N 1.80 4.44 0.24 3.92 1.43 -1.26 -5.01 118.68 124.24 1j3w s LEU 8 Ca 0.03 1.66 -0.17 0.00 -1.03 0.00 0.00 54.13 54.62 1j3w s LEU 8 Cb -0.13 -3.50 0.02 0.00 0.03 0.00 0.00 46.19 42.61 1j3w s LEU 8 CO -0.05 -0.13 0.58 -0.72 0.23 0.00 0.00 176.35 176.27 1j3w s TYR 9 N 0.40 -0.01 0.00 0.29 1.13 -1.26 -4.77 117.35 113.13 1j3w s TYR 9 Ca 0.47 -0.38 0.00 0.00 -1.41 0.00 0.00 57.07 55.75 1j3w s TYR 9 Cb -0.22 0.45 0.00 0.00 -1.10 0.00 0.00 41.96 41.09 1j3w s TYR 9 CO 0.28 -1.06 0.00 0.41 -2.51 0.00 0.00 175.55 172.67 1j3w n GLY 10 N -0.40 2.22 0.05 5.49 0.00 -1.26 -3.13 105.19 108.17 1j3w n GLY 10 Ca -0.05 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 1j3w n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3w h ALA 11 N -0.87 -0.02 -0.89 4.61 0.00 -2.00 -2.63 119.26 117.46 1j3w h ALA 11 Ca 0.00 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1j3w h ALA 11 Cb 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.69 1j3w h ALA 11 CO 0.00 -0.50 0.45 -1.35 0.00 0.00 0.00 179.25 177.84 1j3w h PRO 12 N -0.03 0.53 -0.38 0.00 0.11 -1.94 0.83 132.00 131.13 1j3w h PRO 12 Ca -0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1j3w h PRO 12 Cb 0.02 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 1j3w h PRO 12 CO 0.00 0.35 0.11 -0.92 -0.21 0.00 0.00 178.00 177.33 1j3w h TYR 13 N 0.55 0.62 -0.80 0.65 3.20 -1.46 -0.89 116.97 118.83 1j3w h TYR 13 Ca 0.52 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.32 1j3w h TYR 13 Cb 0.87 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 1j3w h TYR 13 CO -0.10 0.59 0.46 0.93 -1.64 0.00 0.00 178.16 178.41 1j3w h GLU 14 N 0.46 1.09 -0.69 1.82 5.08 -0.77 -0.66 114.58 120.92 1j3w h GLU 14 Ca 0.12 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1j3w h GLU 14 Cb 0.27 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1j3w h GLU 14 CO -0.00 0.79 0.16 0.00 -1.00 0.00 0.00 179.01 178.96 1j3w h ARG 15 N 1.10 1.10 -0.32 2.33 2.47 -0.69 -1.39 114.38 118.97 1j3w h ARG 15 Ca 0.28 -0.27 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1j3w h ARG 15 Cb -0.01 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 1j3w h ARG 15 CO -0.05 0.98 0.12 0.00 0.56 0.00 0.00 179.97 181.58 1j3w h ALA 16 N 1.07 0.42 -0.94 0.04 0.00 -0.66 -1.82 119.26 117.37 1j3w h ALA 16 Ca 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j3w h ALA 16 Cb 0.37 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1j3w h ALA 16 CO 0.00 0.03 0.57 0.28 0.00 0.00 0.00 179.25 180.14 1j3w h VAL 17 N 0.37 1.26 -0.70 0.00 2.07 -0.94 -1.53 116.25 116.77 1j3w h VAL 17 Ca 0.11 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1j3w h VAL 17 Cb 0.20 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.86 1j3w h VAL 17 CO -0.01 0.27 0.36 -0.33 0.02 0.00 0.00 177.57 177.88 1j3w h GLU 18 N 1.30 0.99 -0.58 1.57 5.08 -0.94 -0.02 114.58 121.97 1j3w h GLU 18 Ca 0.34 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1j3w h GLU 18 Cb -0.06 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 28.97 1j3w h GLU 18 CO -0.06 0.76 0.31 0.28 -1.00 0.00 0.00 179.01 179.30 1j3w h VAL 19 N 0.97 1.20 -0.37 3.13 2.07 -0.77 0.08 116.25 122.56 1j3w h VAL 19 Ca 0.24 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1j3w h VAL 19 Cb 0.08 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1j3w h VAL 19 CO -0.03 0.22 0.14 -0.07 0.02 0.00 0.00 177.57 177.84 1j3w h LEU 20 N 0.79 0.51 -0.42 2.57 3.38 -0.84 0.09 115.31 121.39 1j3w h LEU 20 Ca 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1j3w h LEU 20 Cb 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1j3w h LEU 20 CO -0.03 0.55 0.22 -0.33 0.09 0.00 0.00 178.44 178.93 1j3w h GLU 21 N 0.45 0.60 -0.73 1.13 5.08 -0.78 -1.51 114.58 118.82 1j3w h GLU 21 Ca 0.12 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1j3w h GLU 21 Cb 0.20 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1j3w h GLU 21 CO -0.01 0.50 0.27 1.49 -1.00 0.00 0.00 179.01 180.26 1j3w h GLU 22 N 0.55 1.11 -0.65 2.33 4.57 -0.83 -2.07 114.58 119.59 1j3w h GLU 22 Ca 0.15 -0.21 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1j3w h GLU 22 Cb 0.09 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 1j3w h GLU 22 CO -0.02 0.92 0.26 1.15 -1.18 0.00 0.00 179.01 180.13 1j3w h THR 23 N 1.07 1.23 -0.59 0.32 2.02 -0.58 -0.61 112.91 115.76 1j3w h THR 23 Ca 0.24 -0.71 -0.08 0.00 0.77 0.00 0.00 66.41 66.64 1j3w h THR 23 Cb 0.24 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1j3w h THR 23 CO -0.02 0.28 0.07 -0.07 0.37 0.00 0.00 175.52 176.16 1j3w h LEU 24 N 0.93 0.96 -0.57 2.58 3.38 -0.82 -1.04 115.31 120.74 1j3w h LEU 24 Ca 0.22 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1j3w h LEU 24 Cb 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1j3w h LEU 24 CO -0.02 1.00 0.16 0.03 0.09 0.00 0.00 178.44 179.70 1j3w h ARG 25 N 0.90 0.89 -0.11 1.13 3.08 -0.78 0.14 114.38 119.63 1j3w h ARG 25 Ca 0.18 -0.20 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 1j3w h ARG 25 Cb 0.46 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1j3w h ARG 25 CO 0.02 0.82 -0.56 0.93 -1.07 0.00 0.00 179.97 180.10 1j3w h GLU 26 N 0.81 0.35 0.01 0.04 4.39 -0.99 -3.36 114.58 115.81 1j3w h GLU 26 Ca 0.18 -0.22 -0.36 0.00 0.34 0.00 0.00 59.36 59.31 1j3w h GLU 26 Cb 0.31 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.92 1j3w h GLU 26 CO -0.00 0.81 -2.23 0.25 -1.16 0.00 0.00 179.01 176.68 1j3w n THR 27 N -3.92 1.47 -0.78 1.13 -2.24 -0.41 -4.95 114.28 104.58 1j3w n THR 27 Ca -0.03 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1j3w n THR 27 Cb 0.59 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1j3w n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3w n GLY 28 N 1.78 0.56 3.77 3.38 0.00 0.03 -4.50 105.19 110.21 1j3w n GLY 28 Ca -0.31 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1j3w n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3w s ALA 29 N -2.00 2.08 -0.17 4.61 0.00 -1.25 -4.56 121.76 120.47 1j3w s ALA 29 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 51.71 1j3w s ALA 29 Cb 0.00 -3.18 -0.22 0.00 0.00 0.00 0.00 23.12 19.71 1j3w s ALA 29 CO 0.00 -1.87 0.44 0.00 0.00 0.00 0.00 175.76 174.34 1j3w h ARG 30 N -1.19 0.02 -4.71 0.00 3.08 -1.17 -3.43 114.38 106.99 1j3w h ARG 30 Ca -0.47 -0.04 -0.34 0.00 0.07 0.00 0.00 59.98 59.21 1j3w h ARG 30 Cb 1.26 0.01 -0.25 0.00 0.08 0.00 0.00 29.97 31.07 1j3w h ARG 30 CO 0.56 1.02 -0.76 0.71 -1.07 0.00 0.00 179.97 180.42 1j3w s TYR 31 N -2.32 0.77 -0.04 3.04 2.02 -1.04 -0.54 117.35 119.24 1j3w s TYR 31 Ca -0.25 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.15 1j3w s TYR 31 Cb 0.03 -0.47 0.01 0.00 -0.40 0.00 0.00 41.96 41.13 1j3w s TYR 31 CO 0.64 -0.03 -0.08 0.00 -1.57 0.00 0.00 175.55 174.52 1j3w s ALA 32 N -0.82 0.83 0.02 3.71 0.00 -0.41 -1.22 121.76 123.87 1j3w s ALA 32 Ca -0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 1j3w s ALA 32 Cb -0.07 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1j3w s ALA 32 CO 0.00 0.08 -0.02 -0.51 0.00 0.00 0.00 175.76 175.32 1j3w s LEU 33 N 0.53 2.17 -0.20 0.00 1.02 0.12 -1.29 118.68 121.03 1j3w s LEU 33 Ca -0.08 -0.41 -0.01 0.00 0.02 0.00 0.00 54.13 53.64 1j3w s LEU 33 Cb -0.12 0.11 0.01 0.00 0.02 0.00 0.00 46.19 46.22 1j3w s LEU 33 CO 0.01 -0.26 -0.13 -0.22 0.02 0.00 0.00 176.35 175.77 1j3w s LEU 34 N -1.25 2.55 0.16 1.79 2.96 -0.15 -0.32 118.68 124.43 1j3w s LEU 34 Ca -0.14 -0.61 0.06 0.00 -0.22 0.00 0.00 54.13 53.22 1j3w s LEU 34 Cb -0.08 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1j3w s LEU 34 CO -0.01 -0.03 -0.13 0.27 -1.32 0.00 0.00 176.35 175.13 1j3w s ILE 35 N 1.35 1.44 0.66 6.68 -4.36 -0.33 -0.17 121.20 126.48 1j3w s ILE 35 Ca 0.04 -1.98 -0.04 0.00 -0.26 0.00 0.00 60.65 58.41 1j3w s ILE 35 Cb -0.14 -1.80 0.06 0.00 1.25 0.00 0.00 42.46 41.83 1j3w s ILE 35 CO -0.08 -0.56 0.95 1.51 0.24 0.00 0.00 174.94 176.99 1j3w s ASP 36 N -2.94 4.89 0.00 4.36 3.84 -0.18 -0.08 116.67 126.56 1j3w s ASP 36 Ca 0.16 0.27 0.15 0.00 -0.00 0.00 0.00 52.55 53.14 1j3w s ASP 36 Cb -0.01 -0.97 0.87 0.00 -1.38 0.00 0.00 42.92 41.43 1j3w s ASP 36 CO 0.04 -1.50 1.38 0.54 -0.00 0.00 0.00 175.17 175.63 1j3w n ARG 37 N -2.76 0.38 0.00 2.11 1.74 -1.19 -1.30 116.66 115.64 1j3w n ARG 37 Ca 0.08 0.06 0.11 0.00 -0.77 0.00 0.00 57.85 57.33 1j3w n ARG 37 Cb 0.60 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.60 1j3w n ARG 37 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1j3w n LYS 38 N -1.11 0.28 0.00 5.56 4.76 -1.26 -4.83 118.16 121.56 1j3w n LYS 38 Ca 0.10 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1j3w n LYS 38 Cb 0.08 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 1j3w n LYS 38 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j3w n GLY 39 N 1.47 0.58 3.72 0.72 0.00 -0.42 -4.89 105.19 106.37 1j3w n GLY 39 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1j3w n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j3w s PHE 40 N -2.00 3.69 -0.28 1.61 0.08 -1.26 -3.80 117.98 116.02 1j3w s PHE 40 Ca 0.00 1.70 -0.29 0.00 0.12 0.00 0.00 56.93 58.46 1j3w s PHE 40 Cb 0.00 -3.13 0.01 0.00 -0.57 0.00 0.00 43.02 39.33 1j3w s PHE 40 CO 0.00 -0.05 1.14 0.08 -0.10 0.00 0.00 175.22 176.28 1j3w s VAL 41 N 0.67 4.44 -0.02 -0.44 1.01 -1.26 -1.01 120.40 123.79 1j3w s VAL 41 Ca 0.51 1.68 0.03 0.00 0.00 0.00 0.00 61.98 64.20 1j3w s VAL 41 Cb -0.23 -4.30 -0.25 0.00 0.00 0.00 0.00 36.38 31.61 1j3w s VAL 41 CO 0.29 -0.39 0.76 -0.07 0.00 0.00 0.00 175.10 175.69 1j3w h LEU 42 N 10.09 0.20 -7.00 3.92 3.38 -0.91 -3.49 115.31 121.51 1j3w h LEU 42 Ca -0.22 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.42 1j3w h LEU 42 Cb 1.07 -0.07 -0.21 0.00 0.09 0.00 0.00 40.66 41.55 1j3w h LEU 42 CO 1.02 1.29 0.37 0.00 0.09 0.00 0.00 178.44 181.21 1j3w s ALA 43 N -2.61 -1.85 -0.16 1.53 0.00 -1.03 -4.63 121.76 113.01 1j3w s ALA 43 Ca -0.08 1.47 -0.23 0.00 0.00 0.00 0.00 51.96 53.11 1j3w s ALA 43 Cb 0.08 -0.38 0.06 0.00 0.00 0.00 0.00 23.12 22.87 1j3w s ALA 43 CO 0.83 -0.34 0.60 -3.38 0.00 0.00 0.00 175.76 173.47 1j3w s HIS 44 N -1.12 -0.62 -0.00 0.00 -3.43 -1.26 -0.97 115.29 107.89 1j3w s HIS 44 Ca -0.06 1.36 -0.02 0.00 -0.80 0.00 0.00 55.06 55.53 1j3w s HIS 44 Cb -0.00 0.26 -0.01 0.00 -1.43 0.00 0.00 32.58 31.40 1j3w s HIS 44 CO 0.06 -0.41 0.04 0.15 -2.00 0.00 0.00 174.74 172.58 1j3w s LYS 45 N -0.25 0.25 0.05 -0.38 -0.14 -0.41 -5.02 119.74 113.83 1j3w s LYS 45 Ca -0.04 -0.29 0.08 0.00 -1.36 0.00 0.00 55.97 54.35 1j3w s LYS 45 Cb -0.03 0.10 -0.03 0.00 -1.68 0.00 0.00 37.83 36.19 1j3w s LYS 45 CO 0.04 -0.05 -0.22 -1.21 -0.76 0.00 0.00 175.35 173.15 1j3w s GLU 46 N -0.85 1.42 0.23 1.68 8.01 -1.26 -1.29 118.70 126.64 1j3w s GLU 46 Ca -0.09 -1.01 -0.30 0.00 0.01 0.00 0.00 54.97 53.58 1j3w s GLU 46 Cb -0.06 -1.58 -0.09 0.00 -4.31 0.00 0.00 34.13 28.09 1j3w s GLU 46 CO -0.00 0.40 1.38 0.00 0.01 0.00 0.00 175.26 177.05 1j3w s ALA 47 N -0.86 3.58 0.46 5.21 0.00 0.30 -4.90 121.76 125.56 1j3w s ALA 47 Ca 0.08 1.23 0.19 0.00 0.00 0.00 0.00 51.96 53.46 1j3w s ALA 47 Cb -0.09 -3.52 1.20 0.00 0.00 0.00 0.00 23.12 20.71 1j3w s ALA 47 CO 0.02 -0.65 2.05 -0.07 0.00 0.00 0.00 175.76 177.11 1j3w h LEU 48 N 5.19 0.00 0.00 0.00 3.38 -1.96 -2.34 115.31 119.57 1j3w h LEU 48 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1j3w h LEU 48 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1j3w h LEU 48 CO 0.78 0.14 -0.24 4.11 0.09 0.00 0.00 178.44 183.31 1j3w h TRP 49 N 0.00 0.00 -3.94 1.13 5.08 -1.97 -3.46 115.95 112.79 1j3w h TRP 49 Ca -0.00 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.50 1j3w h TRP 49 Cb 0.26 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.42 1j3w h TRP 49 CO 0.00 0.00 0.24 0.00 -1.28 0.00 0.00 178.44 177.40 1j3w s ALA 50 N -3.16 3.18 0.97 0.11 0.00 -0.88 -5.07 121.76 116.91 1j3w s ALA 50 Ca 0.08 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 1j3w s ALA 50 Cb 0.11 -2.95 0.17 0.00 0.00 0.00 0.00 23.12 20.45 1j3w s ALA 50 CO 0.66 0.06 1.12 -1.25 0.00 0.00 0.00 175.76 176.34 1j3w s PRO 51 N -3.50 0.62 0.20 0.00 0.04 -1.26 -4.90 135.00 126.20 1j3w s PRO 51 Ca 0.57 0.36 -0.32 0.00 0.04 0.00 0.00 61.00 61.65 1j3w s PRO 51 Cb -0.10 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.52 1j3w s PRO 51 CO 0.23 -2.56 1.27 1.17 0.04 0.00 0.00 177.00 177.15 1j3w n LYS 52 N -4.03 1.54 -2.16 4.56 4.81 -1.26 -4.95 118.16 116.67 1j3w n LYS 52 Ca 0.06 0.55 -0.29 0.00 -0.87 0.00 0.00 58.31 57.76 1j3w n LYS 52 Cb 0.58 -2.12 0.03 0.00 0.02 0.00 0.00 35.03 33.54 1j3w n LYS 52 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1j3w s PRO 53 N -0.36 3.13 0.97 1.64 0.04 -1.26 -5.05 135.00 134.11 1j3w s PRO 53 Ca 0.71 0.33 -0.12 0.00 0.04 0.00 0.00 61.00 61.96 1j3w s PRO 53 Cb -0.76 -2.17 0.17 0.00 0.04 0.00 0.00 34.50 31.78 1j3w s PRO 53 CO 0.51 -0.71 1.09 -1.25 0.04 0.00 0.00 177.00 176.68 1j3w s PRO 54 N -5.11 0.63 -0.19 0.56 0.04 -1.26 -4.80 135.00 124.86 1j3w s PRO 54 Ca 0.55 0.72 -0.35 0.00 0.04 0.00 0.00 61.00 61.96 1j3w s PRO 54 Cb -0.11 -1.74 -0.12 0.00 0.04 0.00 0.00 34.50 32.57 1j3w s PRO 54 CO 0.49 -2.65 1.95 -0.35 0.04 0.00 0.00 177.00 176.48 1j3w n PRO 55 N -4.15 1.74 0.07 0.56 -0.04 -1.26 -4.82 135.00 127.10 1j3w n PRO 55 Ca 0.06 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1j3w n PRO 55 Cb 0.56 -2.55 0.32 0.00 -0.04 0.00 0.00 33.50 31.78 1j3w n PRO 55 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1j3w h LEU 56 N 9.99 0.34 -0.70 1.53 3.38 -1.99 -1.44 115.31 126.41 1j3w h LEU 56 Ca -0.43 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.34 1j3w h LEU 56 Cb 1.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1j3w h LEU 56 CO 0.97 0.51 -0.25 -2.24 0.09 0.00 0.00 178.44 177.52 1j3w h ASP 57 N 0.34 0.75 -0.31 -0.43 2.03 -1.94 -0.54 116.42 116.32 1j3w h ASP 57 Ca 0.06 -0.28 -0.06 0.00 -0.73 0.00 0.00 57.03 56.03 1j3w h ASP 57 Cb 0.45 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.73 1j3w h ASP 57 CO 0.03 0.97 -0.03 0.74 -1.03 0.00 0.00 179.24 179.92 1j3w h THR 58 N 0.64 1.27 -0.21 1.15 2.02 -1.85 -1.51 112.91 114.41 1j3w h THR 58 Ca 0.09 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.27 1j3w h THR 58 Cb 0.75 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1j3w h THR 58 CO 0.06 0.33 0.10 0.25 0.37 0.00 0.00 175.52 176.63 1j3w h LEU 59 N 0.36 0.15 -0.51 2.58 5.85 -1.07 -2.01 115.31 120.65 1j3w h LEU 59 Ca 0.09 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1j3w h LEU 59 Cb 0.48 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1j3w h LEU 59 CO 0.02 0.11 0.30 0.00 -0.34 0.00 0.00 178.44 178.54 1j3w h ALA 60 N 1.11 0.66 -0.72 1.25 0.00 -0.96 0.52 119.26 121.12 1j3w h ALA 60 Ca 0.09 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1j3w h ALA 60 Cb 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1j3w h ALA 60 CO -0.07 0.01 0.46 1.15 0.00 0.00 0.00 179.25 180.80 1j3w h THR 61 N 0.61 1.13 -0.19 0.00 2.02 -1.02 -0.24 112.91 115.22 1j3w h THR 61 Ca 0.21 -0.31 -0.16 0.00 0.77 0.00 0.00 66.41 66.91 1j3w h THR 61 Cb 0.02 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 1j3w h THR 61 CO -0.09 0.17 -0.54 -0.07 0.37 0.00 0.00 175.52 175.35 1j3w h LEU 62 N 0.92 0.61 -0.54 2.58 3.38 -0.89 -1.25 115.31 120.12 1j3w h LEU 62 Ca 0.28 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1j3w h LEU 62 Cb -0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1j3w h LEU 62 CO -0.09 1.03 0.09 0.58 0.09 0.00 0.00 178.44 180.15 1j3w h VAL 63 N 0.42 1.25 -0.70 1.22 2.07 -0.51 -0.64 116.25 119.37 1j3w h VAL 63 Ca 0.01 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 1j3w h VAL 63 Cb 1.08 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1j3w h VAL 63 CO 0.10 0.34 0.27 0.00 0.02 0.00 0.00 177.57 178.30 1j3w h ALA 64 N 0.99 0.91 -0.79 1.67 0.00 -0.94 -0.58 119.26 120.52 1j3w h ALA 64 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1j3w h ALA 64 Cb 0.40 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1j3w h ALA 64 CO 0.01 0.54 0.47 0.78 0.00 0.00 0.00 179.25 181.05 1j3w h GLY 65 N 1.00 1.15 1.00 0.00 0.00 -0.88 -2.15 103.07 103.19 1j3w h GLY 65 Ca 0.23 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 1j3w h GLY 65 CO -0.02 0.47 0.17 -0.57 0.00 0.00 0.00 176.54 176.59 1j3w h ASN 66 N 1.08 0.85 -0.77 0.19 -1.24 -0.66 -1.11 115.58 113.92 1j3w h ASN 66 Ca 0.28 -0.21 0.06 0.00 0.71 0.00 0.00 56.30 57.14 1j3w h ASN 66 Cb -0.03 -0.22 -0.05 0.00 0.73 0.00 0.00 38.32 38.75 1j3w h ASN 66 CO -0.05 0.84 0.50 0.00 -1.29 0.00 0.00 177.43 177.43 1j3w h ALA 67 N 1.04 1.64 -0.04 1.57 0.00 -0.63 -1.32 119.26 121.52 1j3w h ALA 67 Ca 0.19 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 1j3w h ALA 67 Cb 0.30 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.88 1j3w h ALA 67 CO -0.00 0.25 -0.82 0.00 0.00 0.00 0.00 179.25 178.67 1j3w h ALA 68 N 1.58 0.15 -0.41 0.00 0.00 -1.07 -3.35 119.26 116.17 1j3w h ALA 68 Ca 0.33 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1j3w h ALA 68 Cb 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1j3w h ALA 68 CO -0.11 0.57 -0.02 0.00 0.00 0.00 0.00 179.25 179.68 1j3w h ALA 69 N 0.42 1.20 0.00 0.00 0.00 -0.46 -3.03 119.26 117.38 1j3w h ALA 69 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1j3w h ALA 69 Cb 1.49 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1j3w h ALA 69 CO 0.16 0.52 0.00 0.25 0.00 0.00 0.00 179.25 180.19 1j3w n THR 70 N -4.23 0.02 0.16 0.00 -2.24 -0.57 -3.79 114.28 103.64 1j3w n THR 70 Ca 0.02 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 1j3w n THR 70 Cb 0.29 -0.53 0.36 0.00 -2.10 0.00 0.00 70.33 68.36 1j3w n THR 70 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1j3w h GLN 71 N 0.00 0.08 -0.27 -0.78 4.20 -1.68 -1.66 115.11 115.00 1j3w h GLN 71 Ca 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1j3w h GLN 71 Cb 0.09 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1j3w h GLN 71 CO 0.00 0.39 0.14 0.00 -0.67 0.00 0.00 178.83 178.68 1j3w h ALA 72 N 1.62 0.34 -0.44 3.87 0.00 -1.81 0.86 119.26 123.70 1j3w h ALA 72 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1j3w h ALA 72 Cb 0.58 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1j3w h ALA 72 CO 0.04 -0.11 0.24 -0.07 0.00 0.00 0.00 179.25 179.36 1j3w h LEU 73 N 0.31 0.56 -0.18 0.00 3.38 -1.74 -1.40 115.31 116.23 1j3w h LEU 73 Ca 0.09 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1j3w h LEU 73 Cb 0.10 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1j3w h LEU 73 CO -0.01 0.49 0.01 0.00 0.09 0.00 0.00 178.44 179.02 1j3w h ALA 74 N 1.09 0.16 -0.38 1.53 0.00 -0.96 -2.45 119.26 118.25 1j3w h ALA 74 Ca 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1j3w h ALA 74 Cb 0.05 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1j3w h ALA 74 CO -0.02 -0.43 0.10 0.87 0.00 0.00 0.00 179.25 179.77 1j3w h LYS 75 N 0.07 0.55 -0.16 0.00 1.57 0.12 0.94 116.57 119.67 1j3w h LYS 75 Ca 0.08 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1j3w h LYS 75 Cb 0.09 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1j3w h LYS 75 CO -0.13 0.51 -0.10 1.25 -0.57 0.00 0.00 179.45 180.40 1j3w h LEU 76 N 0.55 0.23 -1.40 2.94 5.85 -0.83 -1.31 115.31 121.34 1j3w h LEU 76 Ca 0.13 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1j3w h LEU 76 Cb 0.20 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1j3w h LEU 76 CO -0.01 0.36 0.00 0.18 -0.34 0.00 0.00 178.44 178.64 1j3w n LEU 77 N -4.30 2.04 0.00 2.25 4.77 -0.57 -4.91 117.00 116.29 1j3w n LEU 77 Ca -0.01 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 1j3w n LEU 77 Cb 0.25 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1j3w n LEU 77 CO 0.38 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1j3w n GLY 78 N 1.12 0.64 3.74 -0.72 0.00 -0.49 -5.06 105.19 104.42 1j3w n GLY 78 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1j3w n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3w s GLU 79 N -0.28 2.80 0.18 1.61 0.41 0.22 -4.96 118.70 118.68 1j3w s GLU 79 Ca 0.00 -0.70 -0.06 0.00 -0.41 0.00 0.00 54.97 53.79 1j3w s GLU 79 Cb 0.00 -2.68 0.08 0.00 -1.78 0.00 0.00 34.13 29.75 1j3w s GLU 79 CO 0.00 0.57 1.53 0.00 -0.49 0.00 0.00 175.26 176.87 1j3w h ALA 80 N 3.51 0.71 -1.76 5.21 0.00 -1.93 -1.74 119.26 123.25 1j3w h ALA 80 Ca -0.47 -0.45 0.25 0.00 0.00 0.00 0.00 54.91 54.24 1j3w h ALA 80 Cb 1.17 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 1j3w h ALA 80 CO 0.63 0.66 0.70 -0.98 0.00 0.00 0.00 179.25 180.27 1j3w s ARG 81 N -4.32 0.63 -0.14 0.00 1.70 -1.26 -4.55 118.95 111.01 1j3w s ARG 81 Ca -0.09 -0.33 -0.23 0.00 -0.47 0.00 0.00 55.73 54.61 1j3w s ARG 81 Cb 0.12 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1j3w s ARG 81 CO 0.85 -0.29 0.72 -0.06 -1.08 0.00 0.00 175.30 175.45 1j3w s PHE 82 N -2.72 3.47 0.09 5.89 0.08 -1.26 -4.95 117.98 118.58 1j3w s PHE 82 Ca 0.12 1.16 0.03 0.00 0.12 0.00 0.00 56.93 58.35 1j3w s PHE 82 Cb 0.02 -2.87 -0.24 0.00 -0.57 0.00 0.00 43.02 39.35 1j3w s PHE 82 CO -0.03 -0.09 1.20 1.96 -0.10 0.00 0.00 175.22 178.15 1j3w h GLN 83 N 7.15 0.11 -4.96 0.44 7.50 -2.00 -3.46 115.11 119.89 1j3w h GLN 83 Ca -0.34 -0.19 -0.45 0.00 0.50 0.00 0.00 58.65 58.17 1j3w h GLN 83 Cb 1.16 0.07 -0.29 0.00 0.05 0.00 0.00 27.48 28.47 1j3w h GLN 83 CO 0.79 1.07 -0.80 -2.00 -1.50 0.00 0.00 178.83 176.39 1j3w s GLU 84 N -2.68 1.00 -0.02 1.46 2.12 -1.26 -1.21 118.70 118.09 1j3w s GLU 84 Ca -0.01 -0.41 -0.03 0.00 0.36 0.00 0.00 54.97 54.89 1j3w s GLU 84 Cb 0.09 -0.95 0.01 0.00 0.26 0.00 0.00 34.13 33.53 1j3w s GLU 84 CO 0.85 0.22 0.07 -1.21 -0.54 0.00 0.00 175.26 174.65 1j3w s GLU 85 N -0.16 0.10 -0.08 4.30 2.02 0.01 -5.01 118.70 119.88 1j3w s GLU 85 Ca 0.03 0.06 0.01 0.00 0.02 0.00 0.00 54.97 55.08 1j3w s GLU 85 Cb -0.06 0.05 0.02 0.00 0.10 0.00 0.00 34.13 34.24 1j3w s GLU 85 CO -0.00 -0.01 -0.09 0.08 0.02 0.00 0.00 175.26 175.25 1j3w s VAL 86 N -0.06 0.98 -0.15 2.63 1.01 -1.26 -1.18 120.40 122.37 1j3w s VAL 86 Ca -0.01 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1j3w s VAL 86 Cb -0.01 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.43 1j3w s VAL 86 CO 0.00 0.34 -0.21 -1.00 0.00 0.00 0.00 175.10 174.22 1j3w s HIS 87 N 1.11 2.68 -0.08 5.22 3.76 -0.02 -4.98 115.29 122.97 1j3w s HIS 87 Ca -0.07 -1.41 0.03 0.00 -0.15 0.00 0.00 55.06 53.47 1j3w s HIS 87 Cb -0.14 -1.83 0.01 0.00 1.11 0.00 0.00 32.58 31.73 1j3w s HIS 87 CO -0.01 -0.66 -0.18 -1.14 -0.85 0.00 0.00 174.74 171.90 1j3w s GLN 88 N 0.93 2.37 0.00 1.40 2.00 -1.26 -0.13 119.66 124.97 1j3w s GLN 88 Ca -0.04 -0.64 0.00 0.00 -2.00 0.00 0.00 55.36 52.67 1j3w s GLN 88 Cb -0.15 -1.86 0.00 0.00 0.80 0.00 0.00 33.01 31.80 1j3w s GLN 88 CO -0.04 0.09 0.00 0.41 -0.50 0.00 0.00 175.29 175.25 1j3w n GLY 89 N 3.70 2.42 0.26 2.59 0.00 0.12 -5.01 105.19 109.28 1j3w n GLY 89 Ca -0.21 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.75 1j3w n GLY 89 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j3w h GLU 90 N 0.00 0.90 0.00 1.61 4.57 -2.03 -3.41 114.58 116.21 1j3w h GLU 90 Ca 0.00 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 1j3w h GLU 90 Cb 0.00 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1j3w h GLU 90 CO 0.00 0.95 -0.56 2.89 -1.18 0.00 0.00 179.01 181.11 1j3w n ARG 91 N -4.28 0.00 -3.29 1.92 0.00 -1.26 -4.99 116.66 104.75 1j3w n ARG 91 Ca 0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.51 1j3w n ARG 91 Cb 0.35 -0.78 -0.06 0.00 -0.00 0.00 0.00 32.46 31.97 1j3w n ARG 91 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1j3w s MET 92 N -1.56 4.03 0.12 2.89 -1.94 -1.26 -3.06 119.30 118.51 1j3w s MET 92 Ca 0.00 0.57 0.06 0.00 -1.71 0.00 0.00 55.69 54.61 1j3w s MET 92 Cb 0.00 -2.87 -0.04 0.00 2.01 0.00 0.00 34.83 33.94 1j3w s MET 92 CO 0.00 0.43 -0.15 0.20 -0.01 0.00 0.00 175.02 175.49 1j3w s GLY 93 N -1.79 1.08 -0.07 -0.03 0.00 0.13 -0.70 107.32 105.94 1j3w s GLY 93 Ca 0.41 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.88 1j3w s GLY 93 CO 0.20 -1.30 -0.09 -2.27 0.00 0.00 0.00 173.10 169.63 1j3w s LEU 94 N -2.31 1.42 -0.13 0.66 2.96 0.81 -1.32 118.68 120.78 1j3w s LEU 94 Ca 0.07 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1j3w s LEU 94 Cb -0.06 -0.74 0.00 0.00 0.50 0.00 0.00 46.19 45.89 1j3w s LEU 94 CO 0.03 -0.03 -0.21 -0.47 -1.32 0.00 0.00 176.35 174.35 1j3w s TYR 95 N 1.04 2.66 -0.05 5.38 5.04 0.27 -0.84 117.35 130.85 1j3w s TYR 95 Ca -0.08 -1.11 0.02 0.00 -2.44 0.00 0.00 57.07 53.46 1j3w s TYR 95 Cb -0.15 -1.79 0.02 0.00 0.35 0.00 0.00 41.96 40.39 1j3w s TYR 95 CO -0.01 -0.47 -0.08 0.08 -1.34 0.00 0.00 175.55 173.73 1j3w s VAL 96 N 0.59 0.84 0.01 3.14 1.01 -0.32 -0.69 120.40 124.97 1j3w s VAL 96 Ca -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1j3w s VAL 96 Cb -0.16 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1j3w s VAL 96 CO 0.03 0.29 -0.02 -0.62 0.00 0.00 0.00 175.10 174.78 1j3w s ASP 97 N 0.78 0.20 0.18 3.32 2.15 -0.49 -0.81 116.67 122.00 1j3w s ASP 97 Ca -0.13 -0.15 -0.31 0.00 0.43 0.00 0.00 52.55 52.39 1j3w s ASP 97 Cb -0.15 0.01 -0.10 0.00 -0.30 0.00 0.00 42.92 42.38 1j3w s ASP 97 CO 0.02 -0.06 1.54 -1.61 -0.17 0.00 0.00 175.17 174.89 1j3w s GLU 98 N -0.40 4.22 -0.81 4.34 2.02 -0.35 -0.36 118.70 127.36 1j3w s GLU 98 Ca -0.03 2.35 0.02 0.00 0.02 0.00 0.00 54.97 57.32 1j3w s GLU 98 Cb -0.03 -3.15 0.24 0.00 0.10 0.00 0.00 34.13 31.29 1j3w s GLU 98 CO -0.00 -0.57 0.83 0.00 0.02 0.00 0.00 175.26 175.54 1j3w n ALA 99 N 3.68 4.04 0.00 5.21 0.00 0.13 -4.71 120.51 128.87 1j3w n ALA 99 Ca 0.13 -4.68 0.00 0.00 0.00 0.00 0.00 53.44 48.89 1j3w n ALA 99 Cb 0.39 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1j3w n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j3w n GLY 100 N 1.62 -2.32 0.07 0.00 0.00 -1.26 -3.40 105.19 99.91 1j3w n GLY 100 Ca 0.25 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.68 1j3w n GLY 100 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j3w n GLU 101 N -0.19 0.19 -0.03 1.61 -0.58 -1.26 -4.11 120.64 116.27 1j3w n GLU 101 Ca 0.00 0.14 0.02 0.00 -0.42 0.00 0.00 57.16 56.90 1j3w n GLU 101 Cb 0.00 -1.71 0.03 0.00 -0.57 0.00 0.00 31.44 29.19 1j3w n GLU 101 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1j3w n HIS 102 N -2.04 0.00 -4.05 -0.32 8.25 -1.26 -5.00 115.22 110.80 1j3w n HIS 102 Ca 0.06 -0.51 -0.10 0.00 -0.26 0.00 0.00 57.72 56.91 1j3w n HIS 102 Cb 0.41 -0.06 -0.08 0.00 1.12 0.00 0.00 29.99 31.37 1j3w n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j3w s ALA 103 N -1.19 0.41 -0.02 -1.41 0.00 -1.22 -3.13 121.76 115.20 1j3w s ALA 103 Ca 0.06 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1j3w s ALA 103 Cb 0.05 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1j3w s ALA 103 CO 0.01 -0.58 -0.05 -0.51 0.00 0.00 0.00 175.76 174.63 1j3w s LEU 104 N -3.01 1.77 -0.18 0.00 1.43 0.88 -0.69 118.68 118.89 1j3w s LEU 104 Ca 0.21 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.07 1j3w s LEU 104 Cb 0.05 -0.35 -0.05 0.00 0.03 0.00 0.00 46.19 45.87 1j3w s LEU 104 CO 0.01 0.03 0.24 -0.22 0.23 0.00 0.00 176.35 176.64 1j3w s LEU 105 N 0.21 4.22 -0.09 1.79 2.96 0.52 -1.18 118.68 127.11 1j3w s LEU 105 Ca -0.02 0.40 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 1j3w s LEU 105 Cb -0.07 -2.28 0.00 0.00 0.50 0.00 0.00 46.19 44.35 1j3w s LEU 105 CO -0.00 0.12 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.24 1j3w s VAL 106 N 0.48 1.84 -0.08 1.68 1.01 0.57 -1.40 120.40 124.50 1j3w s VAL 106 Ca 0.14 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1j3w s VAL 106 Cb -0.12 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1j3w s VAL 106 CO 0.02 0.51 -0.12 -0.76 0.00 0.00 0.00 175.10 174.75 1j3w s LEU 107 N 0.35 1.59 -0.17 3.92 1.43 0.13 -0.70 118.68 125.22 1j3w s LEU 107 Ca -0.16 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 1j3w s LEU 107 Cb -0.17 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.15 1j3w s LEU 107 CO 0.07 0.01 -0.02 -0.69 0.23 0.00 0.00 176.35 175.95 1j3w s VAL 108 N 0.87 3.98 0.24 -1.59 1.01 -0.36 -0.56 120.40 123.99 1j3w s VAL 108 Ca -0.10 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1j3w s VAL 108 Cb -0.15 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1j3w s VAL 108 CO 0.01 0.47 0.20 0.72 0.00 0.00 0.00 175.10 176.50 1j3w s PHE 109 N 0.58 1.28 0.16 5.22 -0.12 -0.43 -0.52 117.98 124.15 1j3w s PHE 109 Ca -0.02 -1.42 0.01 0.00 -0.05 0.00 0.00 56.93 55.45 1j3w s PHE 109 Cb -0.14 -0.55 -0.00 0.00 -0.63 0.00 0.00 43.02 41.69 1j3w s PHE 109 CO 0.02 -0.73 0.03 -0.40 -0.05 0.00 0.00 175.22 174.09 1j3w n ASP 110 N -0.65 1.53 0.14 1.98 3.85 -1.26 0.17 116.55 122.31 1j3w n ASP 110 Ca 0.03 -1.78 0.09 0.00 -0.71 0.00 0.00 54.79 52.42 1j3w n ASP 110 Cb 0.65 0.29 0.48 0.00 -1.35 0.00 0.00 41.12 41.19 1j3w n ASP 110 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1j3w n GLU 111 N -0.37 0.11 0.05 0.11 0.00 -1.17 -1.77 120.64 117.61 1j3w n GLU 111 Ca -0.04 0.61 0.13 0.00 0.00 0.00 0.00 57.16 57.86 1j3w n GLU 111 Cb 0.22 -1.90 0.39 0.00 0.00 0.00 0.00 31.44 30.15 1j3w n GLU 111 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1j3w n THR 112 N -2.12 0.30 -3.52 3.84 -2.24 -1.26 -4.67 114.28 104.61 1j3w n THR 112 Ca -0.01 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 1j3w n THR 112 Cb 0.05 -0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 67.84 1j3w n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j3w s ALA 113 N -3.08 3.39 0.04 6.98 0.00 -0.73 -5.00 121.76 123.37 1j3w s ALA 113 Ca 0.11 -2.02 -0.35 0.00 0.00 0.00 0.00 51.96 49.69 1j3w s ALA 113 Cb 0.15 -2.79 -0.14 0.00 0.00 0.00 0.00 23.12 20.34 1j3w s ALA 113 CO 0.62 -1.61 1.61 -2.30 0.00 0.00 0.00 175.76 174.08 1j3w n PRO 114 N 5.04 1.84 -0.13 0.00 -0.02 -1.26 -4.83 135.00 135.65 1j3w n PRO 114 Ca -0.11 0.67 0.05 0.00 -2.02 0.00 0.00 63.50 62.09 1j3w n PRO 114 Cb 0.44 -2.42 0.37 0.00 -0.02 0.00 0.00 33.50 31.87 1j3w n PRO 114 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1j3w h LEU 115 N 6.52 0.62 -0.70 2.45 5.85 -1.95 -2.38 115.31 125.72 1j3w h LEU 115 Ca -0.46 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.31 1j3w h LEU 115 Cb 1.28 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 1j3w h LEU 115 CO 0.89 0.42 0.39 1.23 -0.34 0.00 0.00 178.44 181.03 1j3w h GLY 116 N 0.72 1.04 1.83 3.75 0.00 -2.00 -0.22 103.07 108.18 1j3w h GLY 116 Ca 0.25 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 1j3w h GLY 116 CO -0.07 0.15 -0.70 0.50 0.00 0.00 0.00 176.54 176.42 1j3w h LYS 117 N 0.71 0.17 -0.34 4.80 1.79 -1.82 -1.50 116.57 120.38 1j3w h LYS 117 Ca 0.32 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1j3w h LYS 117 Cb 0.22 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 1j3w h LYS 117 CO -0.20 0.80 0.16 0.28 -1.08 0.00 0.00 179.45 179.41 1j3w h VAL 118 N 0.11 1.17 -0.36 0.50 2.07 -0.90 -1.24 116.25 117.59 1j3w h VAL 118 Ca -0.02 -0.48 -0.14 0.00 0.82 0.00 0.00 66.70 66.89 1j3w h VAL 118 Cb 1.25 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1j3w h VAL 118 CO 0.10 0.17 -0.30 0.11 0.02 0.00 0.00 177.57 177.68 1j3w h LYS 119 N 0.41 0.85 0.47 1.57 1.57 -1.00 0.18 116.57 120.61 1j3w h LYS 119 Ca 0.12 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1j3w h LYS 119 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1j3w h LYS 119 CO -0.01 1.07 -0.23 1.25 -0.57 0.00 0.00 179.45 180.95 1j3w h LEU 120 N 0.64 -0.54 -0.58 2.94 5.85 -1.17 -0.69 115.31 121.77 1j3w h LEU 120 Ca 0.07 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1j3w h LEU 120 Cb 0.88 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1j3w h LEU 120 CO 0.08 -0.32 -0.28 0.45 -0.34 0.00 0.00 178.44 178.03 1j3w h HIS 121 N -0.72 0.00 -0.28 1.25 3.86 -1.29 -2.31 115.15 115.65 1j3w h HIS 121 Ca -0.06 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.08 1j3w h HIS 121 Cb 0.53 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1j3w h HIS 121 CO -0.02 0.28 -0.08 0.78 0.86 0.00 0.00 177.93 179.74 1j3w h GLY 122 N 2.84 0.60 0.99 2.45 0.00 -0.55 -0.15 103.07 109.25 1j3w h GLY 122 Ca -0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1j3w h GLY 122 CO 0.04 0.46 0.20 0.50 0.00 0.00 0.00 176.54 177.74 1j3w h LYS 123 N 0.31 0.84 -0.28 4.80 1.57 -1.01 -0.40 116.57 122.41 1j3w h LYS 123 Ca 0.07 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1j3w h LYS 123 Cb 0.57 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1j3w h LYS 123 CO 0.03 0.75 0.12 0.00 -0.57 0.00 0.00 179.45 179.78 1j3w h ARG 124 N 0.76 0.25 -0.66 3.15 2.47 -1.27 -2.40 114.38 116.69 1j3w h ARG 124 Ca 0.18 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.85 1j3w h ARG 124 Cb 0.24 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 1j3w h ARG 124 CO -0.01 0.17 0.27 0.00 0.56 0.00 0.00 179.97 180.96 1j3w h ALA 125 N 1.15 0.86 -0.91 0.04 0.00 -0.78 -2.04 119.26 117.58 1j3w h ALA 125 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1j3w h ALA 125 Cb 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1j3w h ALA 125 CO -0.10 0.47 0.55 0.66 0.00 0.00 0.00 179.25 180.83 1j3w h SER 126 N 0.93 1.09 -0.51 0.00 4.64 -0.80 0.18 113.55 119.09 1j3w h SER 126 Ca 0.22 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.38 1j3w h SER 126 Cb 0.20 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1j3w h SER 126 CO -0.02 0.84 -0.05 -0.33 -0.87 0.00 0.00 176.83 176.39 1j3w h GLU 127 N 1.25 0.94 -0.33 4.77 4.39 -1.20 -0.58 114.58 123.81 1j3w h GLU 127 Ca 0.33 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1j3w h GLU 127 Cb -0.05 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1j3w h GLU 127 CO -0.06 0.98 0.05 0.00 -1.16 0.00 0.00 179.01 178.82 1j3w h ALA 128 N 0.92 0.43 -0.08 3.43 0.00 -0.85 -2.70 119.26 120.41 1j3w h ALA 128 Ca 0.14 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1j3w h ALA 128 Cb 0.60 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1j3w h ALA 128 CO 0.04 0.14 -0.27 -0.07 0.00 0.00 0.00 179.25 179.09 1j3w h LEU 129 N 0.37 0.14 -0.66 0.00 3.38 -0.56 -2.15 115.31 115.84 1j3w h LEU 129 Ca 0.10 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1j3w h LEU 129 Cb 0.36 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1j3w h LEU 129 CO 0.01 0.42 0.26 0.00 0.09 0.00 0.00 178.44 179.22 1j3w h ALA 130 N 1.60 0.85 -0.35 1.53 0.00 -0.85 0.18 119.26 122.21 1j3w h ALA 130 Ca 0.02 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1j3w h ALA 130 Cb 0.55 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1j3w h ALA 130 CO 0.04 0.47 -0.29 0.00 0.00 0.00 0.00 179.25 179.47 1j3w h ARG 131 N 0.93 0.74 -0.33 0.00 3.08 -1.16 -1.68 114.38 115.96 1j3w h ARG 131 Ca 0.22 -0.33 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1j3w h ARG 131 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1j3w h ARG 131 CO -0.02 0.94 -0.09 0.82 -1.07 0.00 0.00 179.97 180.56 1j3w h ILE 132 N 0.63 1.28 -0.71 2.04 2.04 -1.07 -1.87 117.51 119.85 1j3w h ILE 132 Ca 0.07 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 1j3w h ILE 132 Cb 0.81 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1j3w h ILE 132 CO 0.07 0.37 0.31 0.00 0.00 0.00 0.00 178.15 178.90 1j3w h ALA 133 N 0.80 1.22 -0.16 1.87 0.00 -0.88 -0.25 119.26 121.88 1j3w h ALA 133 Ca 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1j3w h ALA 133 Cb 0.59 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1j3w h ALA 133 CO 0.03 0.58 0.06 1.49 0.00 0.00 0.00 179.25 181.42 1j3w h GLU 134 N 1.01 0.23 0.69 0.00 4.81 -1.13 -1.49 114.58 118.71 1j3w h GLU 134 Ca 0.24 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1j3w h GLU 134 Cb 0.14 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.49 1j3w h GLU 134 CO -0.03 0.31 -0.33 0.93 -0.73 0.00 0.00 179.01 179.16 1j3w h GLU 135 N 0.10 -0.90 -0.82 1.92 5.08 -1.05 -0.07 114.58 118.84 1j3w h GLU 135 Ca 0.05 0.06 0.16 0.00 -1.00 0.00 0.00 59.36 58.63 1j3w h GLU 135 Cb 0.16 0.20 -0.15 0.00 0.50 0.00 0.00 28.75 29.46 1j3w h GLU 135 CO -0.00 -0.60 -0.24 0.00 -1.00 0.00 0.00 179.01 177.17 1j3w h ALA 136 N -0.62 0.44 -0.70 3.43 0.00 -0.97 0.38 119.26 121.21 1j3w h ALA 136 Ca -0.10 0.30 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1j3w h ALA 136 Cb 0.72 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1j3w h ALA 136 CO 0.16 -0.46 0.22 1.25 0.00 0.00 0.00 179.25 180.42 1j3w h LEU 137 N -0.02 1.01 0.00 0.00 5.85 -1.08 -3.50 115.31 117.56 1j3w h LEU 137 Ca 0.38 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1j3w h LEU 137 Cb 0.60 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1j3w h LEU 137 CO -0.85 0.94 0.00 0.00 -0.34 0.00 0.00 178.44 178.18