#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 0.15 0.08 1.96 1.01 -1.26 -4.98 120.40 117.36 1j3w s VAL 7 Ca 0.00 -0.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 1j3w s VAL 7 Cb 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 36.38 36.14 1j3w s VAL 7 CO 0.00 0.08 0.78 -0.76 0.00 0.00 0.00 175.10 175.21 1j3w s LEU 8 N 0.41 4.49 0.16 3.92 1.43 -1.26 -5.05 118.68 122.78 1j3w s LEU 8 Ca -0.04 1.52 -0.01 0.00 -1.03 0.00 0.00 54.13 54.58 1j3w s LEU 8 Cb -0.06 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 1j3w s LEU 8 CO -0.01 0.06 0.07 -0.31 0.23 0.00 0.00 176.35 176.39 1j3w s TYR 9 N -0.34 1.03 0.00 0.29 2.02 -1.26 -4.75 117.35 114.34 1j3w s TYR 9 Ca 0.38 -1.25 0.00 0.00 -0.37 0.00 0.00 57.07 55.84 1j3w s TYR 9 Cb -0.21 -0.56 0.00 0.00 -0.40 0.00 0.00 41.96 40.79 1j3w s TYR 9 CO 0.24 -0.50 0.00 0.41 -1.57 0.00 0.00 175.55 174.13 1j3w n GLY 10 N -0.18 1.84 0.22 0.71 0.00 -1.26 -2.54 105.19 103.99 1j3w n GLY 10 Ca -0.03 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.25 0.04 -0.91 4.61 0.00 -1.99 -1.98 119.26 118.77 1j3w h ALA 11 Ca 0.00 0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.23 1j3w h ALA 11 Cb 0.00 0.40 -0.12 0.00 0.00 0.00 0.00 17.79 18.07 1j3w h ALA 11 CO 0.00 -0.57 0.43 -1.35 0.00 0.00 0.00 179.25 177.76 1j3w h PRO 12 N -0.14 0.44 -0.50 0.00 0.11 -1.91 0.21 132.00 130.20 1j3w h PRO 12 Ca 0.16 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 1j3w h PRO 12 Cb 0.38 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 1j3w h PRO 12 CO -0.38 0.29 -0.05 -0.92 -0.21 0.00 0.00 178.00 176.72 1j3w h TYR 13 N 0.45 1.03 -0.40 0.65 3.20 -1.09 -1.93 116.97 118.87 1j3w h TYR 13 Ca 0.56 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 1j3w h TYR 13 Cb 1.05 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1j3w h TYR 13 CO -0.11 0.97 0.20 0.93 -1.64 0.00 0.00 178.16 178.51 1j3w h GLU 14 N 0.79 0.57 -0.86 1.82 4.39 -0.05 -0.91 114.58 120.33 1j3w h GLU 14 Ca 0.14 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1j3w h GLU 14 Cb 0.60 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1j3w h GLU 14 CO 0.04 0.49 0.46 0.00 -1.16 0.00 0.00 179.01 178.84 1j3w h ARG 15 N 0.51 1.20 0.07 2.33 2.47 -0.71 -0.62 114.38 119.63 1j3w h ARG 15 Ca 0.14 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1j3w h ARG 15 Cb 0.10 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.19 1j3w h ARG 15 CO -0.02 0.88 -0.03 0.00 0.56 0.00 0.00 179.97 181.36 1j3w h ALA 16 N 1.30 -0.09 -0.91 0.04 0.00 -0.96 -1.91 119.26 116.73 1j3w h ALA 16 Ca 0.30 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1j3w h ALA 16 Cb 0.04 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1j3w h ALA 16 CO -0.05 -0.47 0.58 0.28 0.00 0.00 0.00 179.25 179.59 1j3w h VAL 17 N -0.25 1.12 -0.61 0.00 2.07 -0.94 -1.71 116.25 115.93 1j3w h VAL 17 Ca -0.01 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1j3w h VAL 17 Cb 0.22 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 1j3w h VAL 17 CO 0.02 0.20 0.40 -0.33 0.02 0.00 0.00 177.57 177.88 1j3w h GLU 18 N 1.11 0.81 -0.69 1.57 5.08 -0.92 -0.45 114.58 121.09 1j3w h GLU 18 Ca 0.37 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1j3w h GLU 18 Cb 0.06 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1j3w h GLU 18 CO -0.14 0.54 0.34 0.28 -1.00 0.00 0.00 179.01 179.04 1j3w h VAL 19 N 0.83 1.23 -0.56 3.13 2.07 -0.71 -1.75 116.25 120.48 1j3w h VAL 19 Ca 0.22 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1j3w h VAL 19 Cb -0.08 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1j3w h VAL 19 CO -0.05 0.26 0.24 -0.07 0.02 0.00 0.00 177.57 177.97 1j3w h LEU 20 N 0.95 0.75 -0.03 2.57 3.38 -0.81 -0.82 115.31 121.31 1j3w h LEU 20 Ca 0.24 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1j3w h LEU 20 Cb 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1j3w h LEU 20 CO -0.03 0.70 -0.07 -0.33 0.09 0.00 0.00 178.44 178.80 1j3w h GLU 21 N 0.76 -0.11 -0.63 1.13 5.08 -0.76 -1.40 114.58 118.64 1j3w h GLU 21 Ca 0.19 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1j3w h GLU 21 Cb 0.17 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1j3w h GLU 21 CO -0.02 -0.07 0.19 1.49 -1.00 0.00 0.00 179.01 179.60 1j3w h GLU 22 N -0.12 0.95 -0.71 2.33 4.57 -1.20 -2.36 114.58 118.04 1j3w h GLU 22 Ca 0.04 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 57.98 1j3w h GLU 22 Cb 0.17 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1j3w h GLU 22 CO -0.10 0.82 0.23 1.15 -1.18 0.00 0.00 179.01 179.93 1j3w h THR 23 N 0.92 1.26 -0.66 0.32 2.02 -0.75 -0.70 112.91 115.31 1j3w h THR 23 Ca 0.21 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 1j3w h THR 23 Cb 0.27 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1j3w h THR 23 CO -0.01 0.35 0.30 -0.07 0.37 0.00 0.00 175.52 176.46 1j3w h LEU 24 N 1.06 0.88 -0.30 2.58 3.38 -0.93 -1.25 115.31 120.73 1j3w h LEU 24 Ca 0.23 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1j3w h LEU 24 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1j3w h LEU 24 CO -0.01 0.78 0.13 -0.09 0.09 0.00 0.00 178.44 179.34 1j3w h ARG 25 N 0.92 0.45 0.00 1.13 2.43 -0.89 0.03 114.38 118.45 1j3w h ARG 25 Ca 0.22 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1j3w h ARG 25 Cb 0.15 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1j3w h ARG 25 CO -0.02 0.45 -0.15 0.93 -1.51 0.00 0.00 179.97 179.67 1j3w h GLU 26 N 0.35 0.00 0.00 0.20 5.08 -1.01 -3.33 114.58 115.87 1j3w h GLU 26 Ca 0.10 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 1j3w h GLU 26 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1j3w h GLU 26 CO -0.01 0.15 -1.95 0.25 -1.00 0.00 0.00 179.01 176.45 1j3w n THR 27 N -3.19 0.47 -0.88 1.13 -2.24 -0.48 -4.86 114.28 104.23 1j3w n THR 27 Ca 0.02 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1j3w n THR 27 Cb 0.50 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 1.68 0.63 3.72 3.38 0.00 -0.01 -3.83 105.19 110.77 1j3w n GLY 28 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.34 1.67 -0.18 4.61 0.00 -1.22 -4.30 121.76 119.99 1j3w s ALA 29 Ca 0.00 0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.78 1j3w s ALA 29 Cb 0.00 -3.22 -0.17 0.00 0.00 0.00 0.00 23.12 19.73 1j3w s ALA 29 CO 0.00 -2.26 0.26 0.00 0.00 0.00 0.00 175.76 173.76 1j3w h ARG 30 N -1.48 0.00 -5.27 0.00 3.08 -1.06 -3.43 114.38 106.22 1j3w h ARG 30 Ca -0.48 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.11 1j3w h ARG 30 Cb 1.27 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 31.05 1j3w h ARG 30 CO 0.53 0.82 -0.80 0.71 -1.07 0.00 0.00 179.97 180.17 1j3w s TYR 31 N -2.28 1.22 -0.03 3.04 2.02 -1.05 -0.44 117.35 119.82 1j3w s TYR 31 Ca -0.24 -0.29 0.03 0.00 -0.37 0.00 0.00 57.07 56.20 1j3w s TYR 31 Cb 0.03 -0.75 0.00 0.00 -0.40 0.00 0.00 41.96 40.84 1j3w s TYR 31 CO 0.53 0.01 -0.11 0.00 -1.57 0.00 0.00 175.55 174.41 1j3w s ALA 32 N -0.58 1.07 0.01 3.71 0.00 -0.30 -0.88 121.76 124.79 1j3w s ALA 32 Ca 0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 1j3w s ALA 32 Cb -0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1j3w s ALA 32 CO 0.00 0.17 0.03 -0.51 0.00 0.00 0.00 175.76 175.46 1j3w s LEU 33 N 0.21 1.98 -0.19 0.00 1.02 0.09 -1.23 118.68 120.56 1j3w s LEU 33 Ca -0.04 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 53.71 1j3w s LEU 33 Cb -0.10 0.32 0.01 0.00 0.02 0.00 0.00 46.19 46.44 1j3w s LEU 33 CO 0.01 -0.33 -0.17 -0.22 0.02 0.00 0.00 176.35 175.66 1j3w s LEU 34 N -1.44 2.28 0.26 1.79 2.96 -0.06 -0.14 118.68 124.34 1j3w s LEU 34 Ca -0.15 -0.60 0.04 0.00 -0.22 0.00 0.00 54.13 53.20 1j3w s LEU 34 Cb -0.09 -1.53 -0.06 0.00 0.50 0.00 0.00 46.19 45.01 1j3w s LEU 34 CO -0.00 -0.00 0.02 0.27 -1.32 0.00 0.00 176.35 175.31 1j3w s ILE 35 N 1.32 1.09 0.55 6.68 -4.36 -0.15 -0.12 121.20 126.21 1j3w s ILE 35 Ca 0.05 -2.03 0.08 0.00 -0.26 0.00 0.00 60.65 58.48 1j3w s ILE 35 Cb -0.13 -2.50 0.06 0.00 1.25 0.00 0.00 42.46 41.13 1j3w s ILE 35 CO -0.11 -0.20 0.60 1.51 0.24 0.00 0.00 174.94 176.97 1j3w s ASP 36 N -3.37 4.89 0.00 4.36 3.84 -0.48 -0.29 116.67 125.62 1j3w s ASP 36 Ca 0.32 -1.02 0.16 0.00 -0.00 0.00 0.00 52.55 52.01 1j3w s ASP 36 Cb 0.06 0.31 0.97 0.00 -1.38 0.00 0.00 42.92 42.89 1j3w s ASP 36 CO 0.11 -1.20 1.46 0.54 -0.00 0.00 0.00 175.17 176.09 1j3w n ARG 37 N -1.99 0.75 -0.18 2.11 1.74 -1.26 -2.38 116.66 115.45 1j3w n ARG 37 Ca 0.07 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.22 1j3w n ARG 37 Cb 0.63 -1.34 0.15 0.00 -1.02 0.00 0.00 32.46 30.88 1j3w n ARG 37 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1j3w n LYS 38 N -0.84 2.31 -0.82 5.56 2.85 -1.26 -4.78 118.16 121.18 1j3w n LYS 38 Ca 0.12 -2.37 0.00 0.00 -1.05 0.00 0.00 58.31 55.01 1j3w n LYS 38 Cb 0.06 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 1j3w n LYS 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1j3w n GLY 39 N -0.72 0.59 3.75 2.58 0.00 -1.00 -4.90 105.19 105.49 1j3w n GLY 39 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1j3w n GLY 39 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j3w s PHE 40 N -2.01 3.82 -0.43 1.61 5.36 -1.26 -3.96 117.98 121.11 1j3w s PHE 40 Ca 0.00 1.65 -0.22 0.00 -0.96 0.00 0.00 56.93 57.39 1j3w s PHE 40 Cb 0.00 -2.89 0.02 0.00 -0.34 0.00 0.00 43.02 39.81 1j3w s PHE 40 CO 0.00 0.33 0.75 0.08 -1.46 0.00 0.00 175.22 174.92 1j3w s VAL 41 N -0.40 4.71 0.11 3.12 1.01 -1.26 -1.38 120.40 126.31 1j3w s VAL 41 Ca 0.41 0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.80 1j3w s VAL 41 Cb -0.22 -4.27 -0.21 0.00 0.00 0.00 0.00 36.38 31.67 1j3w s VAL 41 CO 0.27 -0.63 1.26 -0.07 0.00 0.00 0.00 175.10 175.92 1j3w h LEU 42 N 9.96 0.47 -7.00 3.92 3.38 -0.87 -3.48 115.31 121.69 1j3w h LEU 42 Ca -0.25 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.35 1j3w h LEU 42 Cb 1.09 -0.15 -0.21 0.00 0.09 0.00 0.00 40.66 41.48 1j3w h LEU 42 CO 0.93 1.25 0.44 0.00 0.09 0.00 0.00 178.44 181.16 1j3w s ALA 43 N -3.05 -1.88 0.03 1.53 0.00 -1.07 -4.60 121.76 112.73 1j3w s ALA 43 Ca -0.05 1.47 -0.20 0.00 0.00 0.00 0.00 51.96 53.18 1j3w s ALA 43 Cb 0.08 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.81 1j3w s ALA 43 CO 0.87 -0.35 0.46 -3.38 0.00 0.00 0.00 175.76 173.35 1j3w s HIS 44 N -1.29 -0.34 -0.08 0.00 -3.43 -1.26 -0.88 115.29 108.02 1j3w s HIS 44 Ca -0.04 0.37 -0.14 0.00 -0.80 0.00 0.00 55.06 54.45 1j3w s HIS 44 Cb -0.00 0.26 0.03 0.00 -1.43 0.00 0.00 32.58 31.44 1j3w s HIS 44 CO 0.03 -0.58 0.35 0.15 -2.00 0.00 0.00 174.74 172.69 1j3w s LYS 45 N -2.28 0.56 0.05 -0.38 -0.14 -0.36 -5.00 119.74 112.18 1j3w s LYS 45 Ca -0.06 0.18 0.08 0.00 -1.36 0.00 0.00 55.97 54.81 1j3w s LYS 45 Cb -0.01 0.26 -0.03 0.00 -1.68 0.00 0.00 37.83 36.37 1j3w s LYS 45 CO -0.01 -0.12 -0.22 -1.21 -0.76 0.00 0.00 175.35 173.03 1j3w s GLU 46 N -0.54 1.45 0.30 1.68 8.01 -1.26 -1.15 118.70 127.17 1j3w s GLU 46 Ca -0.07 -1.02 -0.29 0.00 0.01 0.00 0.00 54.97 53.60 1j3w s GLU 46 Cb -0.04 -1.61 -0.10 0.00 -4.31 0.00 0.00 34.13 28.08 1j3w s GLU 46 CO 0.03 0.41 1.25 0.00 0.01 0.00 0.00 175.26 176.95 1j3w s ALA 47 N -0.85 3.48 0.44 5.21 0.00 0.42 -4.92 121.76 125.54 1j3w s ALA 47 Ca 0.09 1.14 0.10 0.00 0.00 0.00 0.00 51.96 53.28 1j3w s ALA 47 Cb -0.09 -3.44 0.97 0.00 0.00 0.00 0.00 23.12 20.56 1j3w s ALA 47 CO 0.02 -0.50 2.08 -0.07 0.00 0.00 0.00 175.76 177.30 1j3w h LEU 48 N 3.84 0.33 -0.17 0.00 3.38 -1.97 -2.22 115.31 118.49 1j3w h LEU 48 Ca -0.48 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1j3w h LEU 48 Cb 1.22 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1j3w h LEU 48 CO 0.68 0.25 -0.04 4.11 0.09 0.00 0.00 178.44 183.53 1j3w h TRP 49 N 0.39 0.00 -4.05 1.13 5.08 -1.97 -3.46 115.95 113.06 1j3w h TRP 49 Ca 0.10 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.61 1j3w h TRP 49 Cb -0.03 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.15 1j3w h TRP 49 CO 0.00 0.04 0.38 0.00 -1.28 0.00 0.00 178.44 177.58 1j3w s ALA 50 N -3.25 2.93 1.01 0.11 0.00 -0.84 -5.04 121.76 116.69 1j3w s ALA 50 Ca 0.06 0.58 -0.12 0.00 0.00 0.00 0.00 51.96 52.48 1j3w s ALA 50 Cb 0.06 -3.24 0.20 0.00 0.00 0.00 0.00 23.12 20.14 1j3w s ALA 50 CO 0.66 -0.22 1.08 -2.14 0.00 0.00 0.00 175.76 175.15 1j3w s PRO 51 N -3.12 0.31 0.28 0.00 0.02 -1.26 -4.90 135.00 126.32 1j3w s PRO 51 Ca 0.65 0.68 -0.30 0.00 0.02 0.00 0.00 61.00 62.05 1j3w s PRO 51 Cb -0.16 -1.71 -0.13 0.00 0.02 0.00 0.00 34.50 32.52 1j3w s PRO 51 CO 0.20 -2.86 1.38 0.36 -0.33 0.00 0.00 177.00 175.75 1j3w n LYS 52 N -4.29 2.12 -1.70 5.54 2.85 -1.26 -4.94 118.16 116.49 1j3w n LYS 52 Ca 0.05 0.75 -0.30 0.00 -1.05 0.00 0.00 58.31 57.76 1j3w n LYS 52 Cb 0.56 -2.39 0.06 0.00 -0.65 0.00 0.00 35.03 32.60 1j3w n LYS 52 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1j3w s PRO 53 N -0.90 2.73 1.00 -1.58 0.04 -1.26 -5.04 135.00 129.99 1j3w s PRO 53 Ca 0.64 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.23 1j3w s PRO 53 Cb -0.61 -1.99 0.19 0.00 0.04 0.00 0.00 34.50 32.13 1j3w s PRO 53 CO 0.54 -1.18 1.09 -1.25 0.04 0.00 0.00 177.00 176.24 1j3w s PRO 54 N -5.19 0.43 -0.33 0.56 0.04 -1.26 -4.77 135.00 124.48 1j3w s PRO 54 Ca 0.59 0.61 -0.37 0.00 0.04 0.00 0.00 61.00 61.86 1j3w s PRO 54 Cb -0.13 -1.73 -0.13 0.00 0.04 0.00 0.00 34.50 32.55 1j3w s PRO 54 CO 0.54 -2.75 2.08 -2.30 0.04 0.00 0.00 177.00 174.61 1j3w n PRO 55 N -4.20 1.05 -0.08 0.56 -0.02 -1.26 -4.81 135.00 126.24 1j3w n PRO 55 Ca 0.05 0.32 -0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1j3w n PRO 55 Cb 0.57 -2.30 0.27 0.00 -0.02 0.00 0.00 33.50 32.01 1j3w n PRO 55 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1j3w h LEU 56 N 10.84 0.64 -0.73 2.45 3.38 -1.99 -0.86 115.31 129.03 1j3w h LEU 56 Ca -0.30 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 1j3w h LEU 56 Cb 1.33 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1j3w h LEU 56 CO 1.01 0.60 -0.26 0.44 0.09 0.00 0.00 178.44 180.32 1j3w h ASP 57 N 0.69 0.70 -0.39 -0.43 3.32 -1.92 -0.47 116.42 117.91 1j3w h ASP 57 Ca 0.16 -0.26 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 1j3w h ASP 57 Cb 0.19 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1j3w h ASP 57 CO -0.01 0.93 -0.24 0.74 -1.72 0.00 0.00 179.24 178.94 1j3w h THR 58 N 0.59 1.28 -0.12 0.35 2.02 -1.82 -0.59 112.91 114.62 1j3w h THR 58 Ca 0.08 -1.40 0.02 0.00 0.77 0.00 0.00 66.41 65.88 1j3w h THR 58 Cb 0.76 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1j3w h THR 58 CO 0.06 0.47 0.02 0.25 0.37 0.00 0.00 175.52 176.69 1j3w h LEU 59 N 0.67 -0.00 -0.86 2.58 5.85 -0.91 -0.48 115.31 122.16 1j3w h LEU 59 Ca 0.08 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1j3w h LEU 59 Cb 0.81 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1j3w h LEU 59 CO 0.07 0.02 0.56 0.00 -0.34 0.00 0.00 178.44 178.75 1j3w h ALA 60 N 1.09 1.09 -0.26 1.25 0.00 -0.98 -0.64 119.26 120.80 1j3w h ALA 60 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j3w h ALA 60 Cb 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1j3w h ALA 60 CO -0.08 0.50 0.17 1.15 0.00 0.00 0.00 179.25 180.99 1j3w h THR 61 N 1.16 1.08 -0.63 0.00 2.02 -0.63 -0.26 112.91 115.65 1j3w h THR 61 Ca 0.31 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.26 1j3w h THR 61 Cb -0.12 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1j3w h THR 61 CO -0.07 0.08 0.17 -0.07 0.37 0.00 0.00 175.52 176.00 1j3w h LEU 62 N 0.34 0.92 -0.65 2.58 3.38 -0.72 0.03 115.31 121.20 1j3w h LEU 62 Ca 0.09 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1j3w h LEU 62 Cb -0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1j3w h LEU 62 CO -0.02 0.88 -0.02 0.58 0.09 0.00 0.00 178.44 179.95 1j3w h VAL 63 N 0.94 1.26 -0.50 1.22 2.07 -0.80 -1.26 116.25 119.18 1j3w h VAL 63 Ca 0.20 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 1j3w h VAL 63 Cb 0.31 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1j3w h VAL 63 CO -0.00 0.42 0.08 0.00 0.02 0.00 0.00 177.57 178.09 1j3w h ALA 64 N 1.02 0.67 -0.82 1.67 0.00 -0.65 -0.06 119.26 121.09 1j3w h ALA 64 Ca 0.16 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1j3w h ALA 64 Cb 0.57 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1j3w h ALA 64 CO 0.03 0.40 0.54 0.78 0.00 0.00 0.00 179.25 181.01 1j3w h GLY 65 N 0.71 1.16 1.00 0.00 0.00 -0.77 -2.16 103.07 103.00 1j3w h GLY 65 Ca 0.15 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1j3w h GLY 65 CO 0.01 0.41 0.09 -0.57 0.00 0.00 0.00 176.54 176.48 1j3w h ASN 66 N 1.10 0.84 -0.54 0.19 -1.24 -0.87 -1.72 115.58 113.35 1j3w h ASN 66 Ca 0.30 -0.26 0.05 0.00 0.71 0.00 0.00 56.30 57.10 1j3w h ASN 66 Cb -0.11 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.69 1j3w h ASN 66 CO -0.07 0.88 0.36 0.00 -1.29 0.00 0.00 177.43 177.31 1j3w h ALA 67 N 0.99 1.80 -0.00 1.57 0.00 -0.50 -0.78 119.26 122.34 1j3w h ALA 67 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1j3w h ALA 67 Cb 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1j3w h ALA 67 CO 0.01 0.13 -0.24 0.00 0.00 0.00 0.00 179.25 179.16 1j3w h ALA 68 N 1.70 0.03 -0.82 0.00 0.00 -1.12 -3.37 119.26 115.68 1j3w h ALA 68 Ca 0.22 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1j3w h ALA 68 Cb 0.19 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1j3w h ALA 68 CO -0.06 0.07 0.43 0.00 0.00 0.00 0.00 179.25 179.70 1j3w h ALA 69 N 0.26 1.05 0.00 0.00 0.00 -0.79 -2.98 119.26 116.81 1j3w h ALA 69 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1j3w h ALA 69 Cb 0.99 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1j3w h ALA 69 CO 0.05 0.58 0.00 0.25 0.00 0.00 0.00 179.25 180.13 1j3w n THR 70 N -4.38 0.51 0.24 0.00 -2.24 -0.34 -3.18 114.28 104.89 1j3w n THR 70 Ca 0.08 0.13 0.10 0.00 -2.27 0.00 0.00 64.05 62.09 1j3w n THR 70 Cb 0.11 -0.85 0.60 0.00 -2.10 0.00 0.00 70.33 68.09 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 0.00 -0.27 -0.78 4.20 -1.68 -1.69 115.11 114.89 1j3w h GLN 71 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1j3w h GLN 71 Cb 0.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1j3w h GLN 71 CO 0.00 0.19 0.01 0.00 -0.67 0.00 0.00 178.83 178.35 1j3w h ALA 72 N 1.81 0.37 -0.55 3.87 0.00 -1.78 -1.21 119.26 121.76 1j3w h ALA 72 Ca -0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1j3w h ALA 72 Cb 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1j3w h ALA 72 CO 0.02 0.10 0.17 -0.07 0.00 0.00 0.00 179.25 179.47 1j3w h LEU 73 N 0.26 0.80 -0.25 0.00 3.38 -1.70 -2.59 115.31 115.21 1j3w h LEU 73 Ca 0.08 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1j3w h LEU 73 Cb 0.41 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1j3w h LEU 73 CO 0.01 0.79 0.06 0.00 0.09 0.00 0.00 178.44 179.39 1j3w h ALA 74 N 1.04 0.27 -0.55 1.53 0.00 -1.10 -2.43 119.26 118.01 1j3w h ALA 74 Ca 0.18 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1j3w h ALA 74 Cb 0.28 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1j3w h ALA 74 CO -0.01 -0.36 0.24 0.87 0.00 0.00 0.00 179.25 180.00 1j3w h LYS 75 N 0.16 0.78 0.00 0.00 1.57 0.00 0.73 116.57 119.81 1j3w h LYS 75 Ca 0.12 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1j3w h LYS 75 Cb 0.11 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1j3w h LYS 75 CO -0.14 0.62 -0.13 1.25 -0.57 0.00 0.00 179.45 180.48 1j3w h LEU 76 N 0.78 0.00 -2.56 2.94 5.85 -1.05 -1.11 115.31 120.16 1j3w h LEU 76 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1j3w h LEU 76 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1j3w h LEU 76 CO -0.02 0.13 0.00 0.18 -0.34 0.00 0.00 178.44 178.39 1j3w n LEU 77 N -3.78 3.85 0.00 2.25 4.77 -0.38 -4.93 117.00 118.79 1j3w n LEU 77 Ca -0.02 -1.94 0.00 0.00 -0.03 0.00 0.00 56.01 54.02 1j3w n LEU 77 Cb 0.23 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1j3w n LEU 77 CO 0.31 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 1j3w n GLY 78 N 1.20 0.55 3.62 -0.72 0.00 -0.42 -5.05 105.19 104.38 1j3w n GLY 78 Ca 0.22 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.12 2.40 0.17 1.61 0.41 0.11 -4.96 118.70 118.31 1j3w s GLU 79 Ca 0.00 -0.87 -0.09 0.00 -0.41 0.00 0.00 54.97 53.61 1j3w s GLU 79 Cb 0.00 -2.44 0.05 0.00 -1.78 0.00 0.00 34.13 29.95 1j3w s GLU 79 CO 0.00 0.55 1.55 0.00 -0.49 0.00 0.00 175.26 176.87 1j3w h ALA 80 N 3.87 0.71 -2.09 5.21 0.00 -1.93 -1.31 119.26 123.72 1j3w h ALA 80 Ca -0.48 -0.41 0.21 0.00 0.00 0.00 0.00 54.91 54.23 1j3w h ALA 80 Cb 1.17 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.70 1j3w h ALA 80 CO 0.55 0.67 0.58 -0.98 0.00 0.00 0.00 179.25 180.06 1j3w s ARG 81 N -4.57 0.93 0.02 0.00 1.70 -1.26 -4.52 118.95 111.25 1j3w s ARG 81 Ca -0.11 -0.50 -0.26 0.00 -0.47 0.00 0.00 55.73 54.40 1j3w s ARG 81 Cb 0.12 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.78 1j3w s ARG 81 CO 0.86 -0.43 0.79 -0.06 -1.08 0.00 0.00 175.30 175.39 1j3w s PHE 82 N -3.03 3.70 -0.00 5.89 0.08 -1.26 -4.95 117.98 118.40 1j3w s PHE 82 Ca 0.12 1.47 0.11 0.00 0.12 0.00 0.00 56.93 58.75 1j3w s PHE 82 Cb 0.00 -2.87 -0.21 0.00 -0.57 0.00 0.00 43.02 39.38 1j3w s PHE 82 CO -0.01 0.20 0.90 -0.56 -0.10 0.00 0.00 175.22 175.65 1j3w h GLN 83 N 6.01 0.00 -4.13 0.44 3.07 -1.99 -3.45 115.11 115.04 1j3w h GLN 83 Ca -0.43 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 57.98 1j3w h GLN 83 Cb 1.21 0.00 -0.30 0.00 0.08 0.00 0.00 27.48 28.47 1j3w h GLN 83 CO 0.72 0.63 -0.75 -2.00 0.09 0.00 0.00 178.83 177.53 1j3w s GLU 84 N -2.67 0.42 -0.02 0.06 2.12 -1.26 -0.95 118.70 116.40 1j3w s GLU 84 Ca -0.02 -0.12 -0.01 0.00 0.36 0.00 0.00 54.97 55.17 1j3w s GLU 84 Cb 0.09 -0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.04 1j3w s GLU 84 CO 0.82 0.04 0.04 -1.21 -0.54 0.00 0.00 175.26 174.41 1j3w s GLU 85 N 0.19 0.05 -0.08 4.30 2.02 0.11 -5.00 118.70 120.29 1j3w s GLU 85 Ca -0.02 0.06 0.02 0.00 0.02 0.00 0.00 54.97 55.04 1j3w s GLU 85 Cb -0.05 0.02 0.02 0.00 0.10 0.00 0.00 34.13 34.22 1j3w s GLU 85 CO -0.00 -0.01 -0.11 0.08 0.02 0.00 0.00 175.26 175.24 1j3w s VAL 86 N 0.02 1.10 -0.15 2.63 1.01 -1.26 -1.00 120.40 122.75 1j3w s VAL 86 Ca -0.00 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1j3w s VAL 86 Cb -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1j3w s VAL 86 CO 0.00 0.36 -0.18 -1.00 0.00 0.00 0.00 175.10 174.28 1j3w s HIS 87 N 0.94 2.74 -0.13 5.22 3.76 0.04 -4.98 115.29 122.88 1j3w s HIS 87 Ca -0.09 -1.16 0.02 0.00 -0.15 0.00 0.00 55.06 53.68 1j3w s HIS 87 Cb -0.15 -1.86 0.01 0.00 1.11 0.00 0.00 32.58 31.69 1j3w s HIS 87 CO 0.00 -0.53 -0.20 -1.14 -0.85 0.00 0.00 174.74 172.02 1j3w s GLN 88 N 0.82 2.76 0.00 1.40 2.00 -1.26 -0.46 119.66 124.91 1j3w s GLN 88 Ca -0.06 -0.76 0.00 0.00 -2.00 0.00 0.00 55.36 52.54 1j3w s GLN 88 Cb -0.15 -2.24 0.00 0.00 0.80 0.00 0.00 33.01 31.41 1j3w s GLN 88 CO -0.01 -0.01 0.00 0.41 -0.50 0.00 0.00 175.29 175.18 1j3w n GLY 89 N 4.07 2.66 0.28 2.59 0.00 0.65 -5.02 105.19 110.41 1j3w n GLY 89 Ca -0.20 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.64 1j3w n GLY 89 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j3w h GLU 90 N 0.00 0.94 0.00 1.61 5.08 -2.03 -3.40 114.58 116.78 1j3w h GLU 90 Ca 0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1j3w h GLU 90 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1j3w h GLU 90 CO 0.00 1.06 -0.73 0.54 -1.00 0.00 0.00 179.01 178.88 1j3w n ARG 91 N -4.11 0.78 -3.88 2.33 1.74 -1.26 -4.98 116.66 107.28 1j3w n ARG 91 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1j3w n ARG 91 Cb 0.45 -0.86 -0.04 0.00 -1.02 0.00 0.00 32.46 30.98 1j3w n ARG 91 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1j3w s MET 92 N -1.73 3.47 0.09 5.56 -1.94 -1.26 -2.82 119.30 120.67 1j3w s MET 92 Ca 0.00 -0.33 0.01 0.00 -1.71 0.00 0.00 55.69 53.66 1j3w s MET 92 Cb 0.00 -3.05 -0.04 0.00 2.01 0.00 0.00 34.83 33.75 1j3w s MET 92 CO 0.00 0.62 -0.06 0.20 -0.01 0.00 0.00 175.02 175.78 1j3w s GLY 93 N -2.22 0.70 -0.04 -0.03 0.00 0.89 -0.25 107.32 106.38 1j3w s GLY 93 Ca 0.32 -1.31 0.01 0.00 0.00 0.00 0.00 44.72 43.74 1j3w s GLY 93 CO 0.23 -1.42 -0.03 -2.27 0.00 0.00 0.00 173.10 169.61 1j3w s LEU 94 N -3.00 1.33 -0.12 0.66 2.96 0.39 -1.36 118.68 119.54 1j3w s LEU 94 Ca 0.11 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 1j3w s LEU 94 Cb 0.06 -0.36 0.00 0.00 0.50 0.00 0.00 46.19 46.39 1j3w s LEU 94 CO -0.06 -0.06 -0.23 -0.47 -1.32 0.00 0.00 176.35 174.21 1j3w s TYR 95 N 0.86 2.61 -0.06 5.38 5.04 0.19 -0.78 117.35 130.59 1j3w s TYR 95 Ca -0.10 -1.17 0.02 0.00 -2.44 0.00 0.00 57.07 53.38 1j3w s TYR 95 Cb -0.13 -1.76 0.02 0.00 0.35 0.00 0.00 41.96 40.43 1j3w s TYR 95 CO -0.00 -0.50 -0.10 0.08 -1.34 0.00 0.00 175.55 173.69 1j3w s VAL 96 N 0.54 0.95 -0.01 3.14 1.01 -0.17 -0.76 120.40 125.10 1j3w s VAL 96 Ca -0.14 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1j3w s VAL 96 Cb -0.17 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 1j3w s VAL 96 CO 0.04 0.32 -0.07 -0.62 0.00 0.00 0.00 175.10 174.77 1j3w s ASP 97 N 0.78 0.81 0.09 3.32 2.15 -0.56 -0.71 116.67 122.55 1j3w s ASP 97 Ca -0.13 -0.12 -0.31 0.00 0.43 0.00 0.00 52.55 52.42 1j3w s ASP 97 Cb -0.15 -0.12 -0.07 0.00 -0.30 0.00 0.00 42.92 42.28 1j3w s ASP 97 CO 0.02 0.07 1.39 -1.61 -0.17 0.00 0.00 175.17 174.87 1j3w s GLU 98 N -0.08 4.32 -0.89 4.34 2.02 -0.12 -0.54 118.70 127.75 1j3w s GLU 98 Ca 0.01 2.05 -0.01 0.00 0.02 0.00 0.00 54.97 57.04 1j3w s GLU 98 Cb -0.04 -3.33 0.25 0.00 0.10 0.00 0.00 34.13 31.12 1j3w s GLU 98 CO -0.00 -0.46 0.93 0.00 0.02 0.00 0.00 175.26 175.75 1j3w n ALA 99 N 4.27 4.15 0.00 5.21 0.00 -0.06 -4.77 120.51 129.31 1j3w n ALA 99 Ca 0.12 -4.68 0.00 0.00 0.00 0.00 0.00 53.44 48.88 1j3w n ALA 99 Cb 0.43 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 1.80 -1.81 0.08 0.00 0.00 -1.26 -3.35 105.19 100.65 1j3w n GLY 100 Ca 0.24 -1.66 0.12 0.00 0.00 0.00 0.00 46.02 44.72 1j3w n GLY 100 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j3w h GLU 101 N 0.00 0.00 -0.07 1.61 4.39 -1.96 -3.38 114.58 115.17 1j3w h GLU 101 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1j3w h GLU 101 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1j3w h GLU 101 CO 0.00 0.00 0.00 0.72 -1.16 0.00 0.00 179.01 178.57 1j3w n HIS 102 N -2.28 0.09 -4.12 4.33 8.25 -1.26 -5.02 115.22 115.22 1j3w n HIS 102 Ca 0.02 -0.27 -0.09 0.00 -0.26 0.00 0.00 57.72 57.12 1j3w n HIS 102 Cb 0.47 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.70 0.70 -0.01 -1.41 0.00 -1.21 -4.02 121.76 115.11 1j3w s ALA 103 Ca 0.07 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.69 1j3w s ALA 103 Cb 0.04 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.85 1j3w s ALA 103 CO 0.05 -0.46 -0.04 -0.51 0.00 0.00 0.00 175.76 174.81 1j3w s LEU 104 N -3.00 1.74 -0.17 0.00 1.43 0.60 -0.88 118.68 118.40 1j3w s LEU 104 Ca 0.18 -0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 53.06 1j3w s LEU 104 Cb 0.07 -0.27 -0.05 0.00 0.03 0.00 0.00 46.19 45.98 1j3w s LEU 104 CO -0.02 0.01 0.30 -0.22 0.23 0.00 0.00 176.35 176.66 1j3w s LEU 105 N 0.26 4.22 -0.10 1.79 2.96 0.30 -0.98 118.68 127.13 1j3w s LEU 105 Ca -0.03 0.48 0.04 0.00 -0.22 0.00 0.00 54.13 54.40 1j3w s LEU 105 Cb -0.06 -2.38 0.00 0.00 0.50 0.00 0.00 46.19 44.25 1j3w s LEU 105 CO -0.00 0.06 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.17 1j3w s VAL 106 N 0.68 1.97 -0.11 1.68 1.01 0.81 -1.50 120.40 124.94 1j3w s VAL 106 Ca 0.16 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1j3w s VAL 106 Cb -0.13 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1j3w s VAL 106 CO 0.05 0.54 -0.14 -0.76 0.00 0.00 0.00 175.10 174.79 1j3w s LEU 107 N 0.41 1.64 -0.17 3.92 1.43 0.06 -0.74 118.68 125.23 1j3w s LEU 107 Ca -0.18 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 1j3w s LEU 107 Cb -0.18 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 1j3w s LEU 107 CO 0.08 -0.01 0.04 -0.69 0.23 0.00 0.00 176.35 175.99 1j3w s VAL 108 N 1.14 4.61 0.13 -1.59 1.01 -0.06 -0.63 120.40 125.00 1j3w s VAL 108 Ca -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1j3w s VAL 108 Cb -0.14 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1j3w s VAL 108 CO -0.04 0.48 0.09 0.72 0.00 0.00 0.00 175.10 176.35 1j3w s PHE 109 N 0.29 0.73 0.00 5.22 -0.12 -0.47 -0.37 117.98 123.27 1j3w s PHE 109 Ca 0.02 -1.12 0.00 0.00 -0.05 0.00 0.00 56.93 55.79 1j3w s PHE 109 Cb -0.13 -0.38 0.00 0.00 -0.63 0.00 0.00 43.02 41.88 1j3w s PHE 109 CO 0.01 -0.54 0.00 -0.40 -0.05 0.00 0.00 175.22 174.23 1j3w n ASP 110 N -0.10 1.97 0.15 1.98 3.85 -1.26 -0.07 116.55 123.07 1j3w n ASP 110 Ca -0.07 -0.81 0.11 0.00 -0.71 0.00 0.00 54.79 53.31 1j3w n ASP 110 Cb 0.63 0.00 0.54 0.00 -1.35 0.00 0.00 41.12 40.94 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 -0.01 0.16 -0.00 0.11 0.00 -1.13 -2.24 120.64 117.53 1j3w n GLU 111 Ca 0.00 0.56 0.15 0.00 0.00 0.00 0.00 57.16 57.86 1j3w n GLU 111 Cb 0.00 -1.92 0.71 0.00 0.00 0.00 0.00 31.44 30.23 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 -2.24 0.01 -3.74 3.84 -2.24 -1.26 -4.73 114.28 103.92 1j3w n THR 112 Ca -0.00 -0.13 -0.37 0.00 -2.27 0.00 0.00 64.05 61.28 1j3w n THR 112 Cb 0.11 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.99 3.11 -0.10 6.98 0.00 -0.95 -4.87 121.76 123.94 1j3w s ALA 113 Ca 0.42 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 1j3w s ALA 113 Cb 0.21 -2.17 -0.06 0.00 0.00 0.00 0.00 23.12 21.10 1j3w s ALA 113 CO 0.34 -0.85 1.91 -2.14 0.00 0.00 0.00 175.76 175.02 1j3w s PRO 114 N 1.54 3.82 0.35 0.00 0.02 -1.25 -4.86 135.00 134.62 1j3w s PRO 114 Ca 0.04 2.20 0.09 0.00 0.02 0.00 0.00 61.00 63.35 1j3w s PRO 114 Cb -0.17 -4.16 0.84 0.00 0.02 0.00 0.00 34.50 31.03 1j3w s PRO 114 CO 0.03 -1.30 1.85 1.25 -0.33 0.00 0.00 177.00 178.50 1j3w h LEU 115 N 11.90 0.65 -0.74 -5.54 5.85 -1.94 -0.69 115.31 124.80 1j3w h LEU 115 Ca -0.42 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.39 1j3w h LEU 115 Cb 1.21 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1j3w h LEU 115 CO 0.96 0.30 0.45 1.23 -0.34 0.00 0.00 178.44 181.05 1j3w h GLY 116 N 0.67 1.09 1.41 3.75 0.00 -1.98 -1.05 103.07 106.96 1j3w h GLY 116 Ca 0.48 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 47.29 1j3w h GLY 116 CO -0.24 0.26 -0.65 0.50 0.00 0.00 0.00 176.54 176.41 1j3w h LYS 117 N 0.86 0.60 -0.41 4.80 1.57 -1.52 -0.89 116.57 121.58 1j3w h LYS 117 Ca 0.31 -0.43 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1j3w h LYS 117 Cb 0.09 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1j3w h LYS 117 CO -0.14 1.05 0.20 0.28 -0.57 0.00 0.00 179.45 180.28 1j3w h VAL 118 N 0.44 0.97 -0.15 0.50 2.07 -0.72 -0.63 116.25 118.73 1j3w h VAL 118 Ca -0.01 -0.14 -0.19 0.00 0.82 0.00 0.00 66.70 67.18 1j3w h VAL 118 Cb 1.23 0.52 0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1j3w h VAL 118 CO 0.12 0.08 -0.64 0.11 0.02 0.00 0.00 177.57 177.26 1j3w h LYS 119 N 0.41 0.69 0.57 1.57 1.57 -1.17 0.93 116.57 121.15 1j3w h LYS 119 Ca 0.18 -0.55 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 1j3w h LYS 119 Cb 0.09 0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1j3w h LYS 119 CO -0.13 1.17 -0.27 1.25 -0.57 0.00 0.00 179.45 180.90 1j3w h LEU 120 N 0.38 -0.65 -0.21 2.94 5.85 -0.98 -1.93 115.31 120.72 1j3w h LEU 120 Ca -0.04 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 1j3w h LEU 120 Cb 1.28 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1j3w h LEU 120 CO 0.13 -0.41 -0.44 0.45 -0.34 0.00 0.00 178.44 177.84 1j3w h HIS 121 N -0.84 0.00 -0.32 1.25 3.86 -1.23 -3.14 115.15 114.74 1j3w h HIS 121 Ca -0.08 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.09 1j3w h HIS 121 Cb 0.61 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1j3w h HIS 121 CO -0.02 0.44 0.04 0.78 0.86 0.00 0.00 177.93 180.03 1j3w h GLY 122 N 3.23 0.57 0.91 2.45 0.00 -0.78 -0.03 103.07 109.42 1j3w h GLY 122 Ca -0.00 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 46.96 1j3w h GLY 122 CO 0.06 0.36 0.32 1.70 0.00 0.00 0.00 176.54 178.98 1j3w h LYS 123 N 0.35 0.63 -0.41 4.80 1.63 -1.37 -0.52 116.57 121.69 1j3w h LYS 123 Ca 0.10 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.74 1j3w h LYS 123 Cb 0.36 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1j3w h LYS 123 CO 0.01 0.42 -0.22 0.00 -3.45 0.00 0.00 179.45 176.20 1j3w h ARG 124 N 0.65 0.83 -0.59 1.90 3.08 -1.48 -2.64 114.38 116.13 1j3w h ARG 124 Ca 0.21 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1j3w h ARG 124 Cb -0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1j3w h ARG 124 CO -0.08 0.97 0.08 0.00 -1.07 0.00 0.00 179.97 179.87 1j3w h ALA 125 N 1.03 1.02 -0.84 0.04 0.00 -0.60 -2.25 119.26 117.66 1j3w h ALA 125 Ca 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1j3w h ALA 125 Cb 0.75 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1j3w h ALA 125 CO 0.06 0.62 0.42 1.03 0.00 0.00 0.00 179.25 181.38 1j3w h SER 126 N 0.91 1.09 -0.77 0.00 0.87 -0.90 -0.38 113.55 114.37 1j3w h SER 126 Ca 0.18 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 1j3w h SER 126 Cb 0.42 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1j3w h SER 126 CO 0.01 0.90 0.27 -0.33 -0.53 0.00 0.00 176.83 177.16 1j3w h GLU 127 N 1.19 1.18 -0.45 2.24 5.08 -1.11 0.47 114.58 123.17 1j3w h GLU 127 Ca 0.29 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1j3w h GLU 127 Cb 0.09 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1j3w h GLU 127 CO -0.04 0.98 -0.14 0.00 -1.00 0.00 0.00 179.01 178.81 1j3w h ALA 128 N 1.14 0.63 -0.03 3.43 0.00 -0.93 -2.76 119.26 120.74 1j3w h ALA 128 Ca 0.25 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1j3w h ALA 128 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1j3w h ALA 128 CO -0.01 0.55 -0.48 -0.07 0.00 0.00 0.00 179.25 179.24 1j3w h LEU 129 N 0.73 0.08 -0.96 0.00 3.38 -0.82 -2.30 115.31 115.41 1j3w h LEU 129 Ca 0.11 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1j3w h LEU 129 Cb 0.69 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1j3w h LEU 129 CO 0.05 0.54 0.04 0.00 0.09 0.00 0.00 178.44 179.16 1j3w h ALA 130 N 1.46 1.14 -0.16 1.53 0.00 -0.72 -0.93 119.26 121.58 1j3w h ALA 130 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1j3w h ALA 130 Cb 0.87 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1j3w h ALA 130 CO 0.07 0.56 -0.25 0.00 0.00 0.00 0.00 179.25 179.62 1j3w h ARG 131 N 0.75 0.46 -0.62 0.00 3.08 -1.21 -1.97 114.38 114.87 1j3w h ARG 131 Ca 0.15 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 59.94 1j3w h ARG 131 Cb 0.40 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1j3w h ARG 131 CO 0.01 0.87 0.41 0.82 -1.07 0.00 0.00 179.97 181.01 1j3w h ILE 132 N 0.09 1.15 0.11 2.04 2.04 -1.20 -0.38 117.51 121.36 1j3w h ILE 132 Ca 0.01 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1j3w h ILE 132 Cb 0.82 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1j3w h ILE 132 CO 0.06 0.15 -0.05 0.00 0.00 0.00 0.00 178.15 178.31 1j3w h ALA 133 N 1.61 -0.14 0.00 1.87 0.00 -1.12 -1.42 119.26 120.06 1j3w h ALA 133 Ca 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1j3w h ALA 133 Cb -0.09 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1j3w h ALA 133 CO -0.05 -0.31 -0.05 1.05 0.00 0.00 0.00 179.25 179.89 1j3w h GLU 134 N -0.69 0.00 0.00 0.00 4.11 -1.17 0.54 114.58 117.37 1j3w h GLU 134 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1j3w h GLU 134 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1j3w h GLU 134 CO 0.02 0.05 -0.39 0.39 0.07 0.00 0.00 179.01 179.16 1j3w n GLU 135 N -4.21 0.10 0.09 1.06 1.02 -0.17 -3.01 120.64 115.52 1j3w n GLU 135 Ca -0.03 0.04 0.04 0.00 -0.02 0.00 0.00 57.16 57.19 1j3w n GLU 135 Cb 0.14 -1.57 -0.01 0.00 -0.02 0.00 0.00 31.44 29.97 1j3w n GLU 135 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j3w h ALA 136 N 2.84 0.65 -0.44 0.62 0.00 0.25 -3.27 119.26 119.91 1j3w h ALA 136 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1j3w h ALA 136 Cb 0.58 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1j3w h ALA 136 CO 0.00 0.56 0.00 1.47 0.00 0.00 0.00 179.25 181.28 1j3w n LEU 137 N -2.95 3.37 -0.07 0.00 -0.00 -0.89 -5.05 117.00 111.40 1j3w n LEU 137 Ca -0.03 -1.68 0.01 0.00 -0.00 0.00 0.00 56.01 54.30 1j3w n LEU 137 Cb 0.72 -0.29 0.01 0.00 -0.00 0.00 0.00 43.42 43.86 1j3w n LEU 137 CO 0.41 0.77 0.28 0.00 -0.00 0.00 0.00 177.39 178.85