#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwd h ALA 2 N 0.00 0.19 -0.99 -5.12 0.00 -2.05 -3.39 119.26 107.90 1jwd h ALA 2 Ca 0.00 -0.83 0.23 0.00 0.00 0.00 0.00 54.91 54.32 1jwd h ALA 2 Cb 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.60 1jwd h ALA 2 CO 0.00 0.93 -0.11 0.77 0.00 0.00 0.00 179.25 180.83 1jwd h SER 3 N 0.12 -0.71 -0.48 0.00 0.02 -2.05 0.69 113.55 111.15 1jwd h SER 3 Ca -0.12 0.29 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1jwd h SER 3 Cb 1.84 0.55 -0.04 0.00 0.14 0.00 0.00 62.40 64.90 1jwd h SER 3 CO 0.19 -0.34 0.26 -0.65 -1.14 0.00 0.00 176.83 175.14 1jwd h PRO 4 N 0.00 0.49 -0.09 3.45 0.11 -2.01 -0.58 132.00 133.38 1jwd h PRO 4 Ca 0.54 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.54 1jwd h PRO 4 Cb 0.97 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1jwd h PRO 4 CO -0.97 0.32 -0.23 1.25 -0.21 0.00 0.00 178.00 178.16 1jwd h LEU 5 N 0.51 0.35 -0.37 2.35 5.85 -1.22 -2.93 115.31 119.84 1jwd h LEU 5 Ca 0.20 -0.59 0.08 0.00 0.84 0.00 0.00 57.88 58.41 1jwd h LEU 5 Cb 0.09 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 40.94 1jwd h LEU 5 CO -0.13 0.88 -0.15 0.44 -0.34 0.00 0.00 178.44 179.14 1jwd h ASP 6 N -0.16 -0.51 -0.54 1.25 3.32 -0.83 0.11 116.42 119.06 1jwd h ASP 6 Ca -0.00 0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1jwd h ASP 6 Cb 0.84 0.30 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 1jwd h ASP 6 CO 0.05 -0.18 0.21 0.06 -1.72 0.00 0.00 179.24 177.66 1jwd h GLN 7 N -0.08 0.85 0.24 3.56 3.07 -1.19 0.16 115.11 121.73 1jwd h GLN 7 Ca 0.18 -0.14 -0.01 0.00 0.09 0.00 0.00 58.65 58.77 1jwd h GLN 7 Cb 0.36 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1jwd h GLN 7 CO -0.42 0.71 -0.12 0.00 0.09 0.00 0.00 178.83 179.09 1jwd h ALA 8 N 1.40 -0.33 -0.65 0.06 0.00 -0.81 0.33 119.26 119.26 1jwd h ALA 8 Ca 0.20 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1jwd h ALA 8 Cb 0.19 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1jwd h ALA 8 CO -0.01 -0.54 0.37 -0.84 0.00 0.00 0.00 179.25 178.22 1jwd h ILE 9 N -0.61 1.00 -0.87 0.00 3.07 -0.81 -0.62 117.51 118.68 1jwd h ILE 9 Ca -0.03 -0.24 0.22 0.00 1.55 0.00 0.00 64.86 66.36 1jwd h ILE 9 Cb 0.44 0.24 -0.13 0.00 -0.27 0.00 0.00 36.82 37.09 1jwd h ILE 9 CO 0.06 0.13 0.27 1.23 -1.05 0.00 0.00 178.15 178.78 1jwd h GLY 10 N 0.70 1.37 0.92 0.16 0.00 -0.47 -0.69 103.07 105.06 1jwd h GLY 10 Ca 0.28 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 1jwd h GLY 10 CO -0.16 -0.33 -0.48 -2.00 0.00 0.00 0.00 176.54 173.57 1jwd h LEU 11 N 0.26 -1.18 -0.61 3.11 7.12 0.13 0.25 115.31 124.39 1jwd h LEU 11 Ca 0.54 0.05 0.11 0.00 0.13 0.00 0.00 57.88 58.71 1jwd h LEU 11 Cb 1.06 0.32 -0.08 0.00 -0.53 0.00 0.00 40.66 41.42 1jwd h LEU 11 CO -0.61 -0.79 0.15 -0.07 -0.13 0.00 0.00 178.44 176.99 1jwd h LEU 12 N -1.29 0.04 0.01 2.25 4.07 -1.16 0.94 115.31 120.18 1jwd h LEU 12 Ca -0.12 0.11 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 1jwd h LEU 12 Cb 1.00 0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1jwd h LEU 12 CO 0.18 0.03 -0.00 0.40 -1.08 0.00 0.00 178.44 177.96 1jwd h ILE 13 N 0.28 1.05 0.28 1.22 2.04 -0.98 -0.76 117.51 120.65 1jwd h ILE 13 Ca 0.32 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 1jwd h ILE 13 Cb 0.46 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1jwd h ILE 13 CO -0.39 0.05 -0.21 1.23 0.00 0.00 0.00 178.15 178.83 1jwd h GLY 14 N -0.09 -0.50 0.02 5.37 0.00 0.21 0.79 103.07 108.88 1jwd h GLY 14 Ca -0.00 0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.64 1jwd h GLY 14 CO 0.00 -0.20 -0.24 -2.22 0.00 0.00 0.00 176.54 173.88 1jwd h ILE 15 N -0.49 0.37 0.50 2.60 2.04 -0.80 0.10 117.51 121.83 1jwd h ILE 15 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1jwd h ILE 15 Cb 0.42 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1jwd h ILE 15 CO -0.00 0.00 -0.49 0.15 0.00 0.00 0.00 178.15 177.81 1jwd h PHE 16 N -0.20 -1.35 0.00 1.37 3.04 -0.73 -3.02 116.94 116.06 1jwd h PHE 16 Ca 0.17 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.08 1jwd h PHE 16 Cb 0.46 0.52 -0.01 0.00 2.56 0.00 0.00 35.95 39.49 1jwd h PHE 16 CO -0.44 -0.65 -0.22 0.45 -2.02 0.00 0.00 178.31 175.43 1jwd h HIS 17 N -0.98 0.00 0.23 0.41 3.86 -0.48 0.49 115.15 118.69 1jwd h HIS 17 Ca -0.06 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1jwd h HIS 17 Cb 0.84 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.28 1jwd h HIS 17 CO -0.24 0.22 -0.32 0.87 0.86 0.00 0.00 177.93 179.33 1jwd h LYS 18 N 0.00 -0.59 -0.46 2.45 1.57 -0.92 0.16 116.57 118.79 1jwd h LYS 18 Ca -0.00 0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1jwd h LYS 18 Cb 0.52 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1jwd h LYS 18 CO 0.03 -0.39 -0.20 1.88 -0.57 0.00 0.00 179.45 180.19 1jwd h TYR 19 N -0.61 1.06 0.12 -1.35 0.05 -1.07 0.08 116.97 115.25 1jwd h TYR 19 Ca 0.00 -0.25 0.01 0.00 0.05 0.00 0.00 58.73 58.55 1jwd h TYR 19 Cb 0.59 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 1jwd h TYR 19 CO -0.23 1.04 -0.17 0.77 -1.05 0.00 0.00 178.16 178.52 1jwd h SER 20 N 0.81 -0.47 -0.87 3.88 0.02 -0.91 -2.61 113.55 113.41 1jwd h SER 20 Ca 0.11 0.05 0.16 0.00 -0.84 0.00 0.00 61.79 61.27 1jwd h SER 20 Cb 0.76 0.17 -0.10 0.00 0.14 0.00 0.00 62.40 63.38 1jwd h SER 20 CO 0.06 -0.25 0.44 1.23 -1.14 0.00 0.00 176.83 177.17 1jwd h GLY 21 N -0.35 1.43 0.20 -3.77 0.00 -0.39 0.13 103.07 100.33 1jwd h GLY 21 Ca 0.02 -0.25 0.21 0.00 0.00 0.00 0.00 47.33 47.31 1jwd h GLY 21 CO -0.08 -0.07 0.61 1.70 0.00 0.00 0.00 176.54 178.71 1jwd h LYS 22 N 0.60 0.48 -0.44 4.80 3.64 -0.59 0.11 116.57 125.18 1jwd h LYS 22 Ca 0.48 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.75 1jwd h LYS 22 Cb 0.73 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.39 1jwd h LYS 22 CO -0.39 0.32 0.06 -0.85 -2.27 0.00 0.00 179.45 176.33 1jwd n GLU 23 N -4.58 3.15 -2.09 1.90 0.28 -0.21 -4.95 120.64 114.14 1jwd n GLU 23 Ca 0.21 -3.00 -0.16 0.00 -0.16 0.00 0.00 57.16 54.05 1jwd n GLU 23 Cb 0.69 -1.98 -0.03 0.00 1.43 0.00 0.00 31.44 31.55 1jwd n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jwd n GLY 24 N -0.41 0.21 3.93 -1.84 0.00 0.37 -4.97 105.19 102.47 1jwd n GLY 24 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 1jwd n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jwd s ASP 25 N -2.15 6.38 0.00 1.61 2.15 0.30 -4.93 116.67 120.02 1jwd s ASP 25 Ca 0.00 0.42 0.00 0.00 0.43 0.00 0.00 52.55 53.40 1jwd s ASP 25 Cb 0.00 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.60 1jwd s ASP 25 CO 0.00 -0.09 0.00 0.29 -0.17 0.00 0.00 175.17 175.20 1jwd n LYS 26 N -0.89 0.00 -0.72 4.34 5.02 -1.26 -3.37 118.16 121.28 1jwd n LYS 26 Ca -0.05 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.18 1jwd n LYS 26 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.50 1jwd n LYS 26 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1jwd n HIS 27 N 0.00 0.13 -3.64 2.13 8.25 -1.26 -4.75 115.22 116.08 1jwd n HIS 27 Ca 0.00 -1.25 -0.14 0.00 -0.26 0.00 0.00 57.72 56.07 1jwd n HIS 27 Cb 0.00 -0.93 -0.07 0.00 1.12 0.00 0.00 29.99 30.11 1jwd n HIS 27 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1jwd s THR 28 N 0.15 0.04 -0.02 1.59 2.01 -1.26 -0.79 115.64 117.36 1jwd s THR 28 Ca 0.27 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.97 1jwd s THR 28 Cb 0.14 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 1jwd s THR 28 CO -0.01 -0.19 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.82 1jwd s LEU 29 N -1.70 1.97 0.44 4.42 1.43 0.14 -4.55 118.68 120.83 1jwd s LEU 29 Ca -0.08 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 52.52 1jwd s LEU 29 Cb -0.02 -0.84 -0.10 0.00 0.03 0.00 0.00 46.19 45.26 1jwd s LEU 29 CO 0.01 0.17 0.96 -0.55 0.23 0.00 0.00 176.35 177.18 1jwd s SER 30 N -0.18 6.85 0.20 2.29 0.15 -1.26 -0.56 113.70 121.18 1jwd s SER 30 Ca 0.02 1.71 -0.12 0.00 0.70 0.00 0.00 55.95 58.26 1jwd s SER 30 Cb -0.08 -2.54 0.25 0.00 -1.71 0.00 0.00 66.02 61.94 1jwd s SER 30 CO 0.00 -0.43 1.68 0.07 1.20 0.00 0.00 173.24 175.77 1jwd h LYS 31 N 1.80 0.15 -0.08 5.44 2.10 -1.22 0.17 116.57 124.94 1jwd h LYS 31 Ca -0.49 -0.01 -0.13 0.00 -2.00 0.00 0.00 60.65 58.02 1jwd h LYS 31 Cb 1.18 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 1jwd h LYS 31 CO 0.61 0.10 -0.54 -0.22 -2.00 0.00 0.00 179.45 177.40 1jwd h LYS 32 N 0.15 0.22 -0.46 0.07 3.64 -1.94 0.59 116.57 118.84 1jwd h LYS 32 Ca 0.29 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1jwd h LYS 32 Cb 0.45 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1jwd h LYS 32 CO -0.45 0.70 -0.07 1.49 -2.27 0.00 0.00 179.45 178.85 1jwd h GLU 33 N 0.17 0.86 -0.32 1.90 4.57 -1.37 0.98 114.58 121.37 1jwd h GLU 33 Ca 0.00 -0.31 0.05 0.00 -1.18 0.00 0.00 59.36 57.92 1jwd h GLU 33 Cb 1.00 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.49 1jwd h GLU 33 CO 0.08 0.94 0.04 1.25 -1.18 0.00 0.00 179.01 180.14 1jwd h LEU 34 N 0.70 -0.04 -0.70 1.64 7.12 -0.49 0.13 115.31 123.67 1jwd h LEU 34 Ca 0.12 0.06 0.07 0.00 0.13 0.00 0.00 57.88 58.26 1jwd h LEU 34 Cb 0.60 0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.76 1jwd h LEU 34 CO 0.04 0.01 0.38 0.50 -0.13 0.00 0.00 178.44 179.25 1jwd h LYS 35 N 0.15 0.66 -0.25 1.25 3.64 -0.34 0.08 116.57 121.76 1jwd h LYS 35 Ca 0.15 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1jwd h LYS 35 Cb 0.19 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1jwd h LYS 35 CO -0.22 0.44 0.01 1.49 -2.27 0.00 0.00 179.45 178.89 1jwd h GLU 36 N 0.68 0.08 -0.40 1.90 4.81 -0.04 0.13 114.58 121.75 1jwd h GLU 36 Ca 0.33 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.64 1jwd h GLU 36 Cb 0.25 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.53 1jwd h GLU 36 CO -0.21 0.05 -0.24 1.25 -0.73 0.00 0.00 179.01 179.13 1jwd h LEU 37 N 0.08 -0.81 0.53 1.64 6.46 0.19 0.92 115.31 124.32 1jwd h LEU 37 Ca 0.12 0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 58.02 1jwd h LEU 37 Cb 0.15 0.41 0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1jwd h LEU 37 CO -0.20 -0.27 -0.26 0.40 -0.62 0.00 0.00 178.44 177.50 1jwd h ILE 38 N -0.17 0.46 -0.89 4.05 2.04 -0.43 0.15 117.51 122.70 1jwd h ILE 38 Ca 0.19 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 66.02 1jwd h ILE 38 Cb 0.47 0.52 -0.08 0.00 -0.74 0.00 0.00 36.82 36.99 1jwd h ILE 38 CO -0.50 0.02 0.52 1.56 0.00 0.00 0.00 178.15 179.75 1jwd h GLN 39 N -0.81 0.79 0.02 2.37 1.08 -0.41 0.37 115.11 118.52 1jwd h GLN 39 Ca -0.07 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1jwd h GLN 39 Cb 0.59 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1jwd h GLN 39 CO 0.12 0.52 -0.01 -0.22 -0.95 0.00 0.00 178.83 178.29 1jwd h LYS 40 N 0.82 -0.03 0.04 1.46 1.63 -0.74 -3.35 116.57 116.39 1jwd h LYS 40 Ca 0.45 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.25 1jwd h LYS 40 Cb 0.49 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1jwd h LYS 40 CO -0.28 0.51 -0.02 0.93 -3.45 0.00 0.00 179.45 177.14 1jwd h GLU 41 N -0.98 -0.05 -3.26 1.90 4.39 -0.57 -3.32 114.58 112.69 1jwd h GLU 41 Ca -0.00 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 58.95 1jwd h GLU 41 Cb 0.55 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 29.07 1jwd h GLU 41 CO 0.01 0.62 2.15 1.28 -1.16 0.00 0.00 179.01 181.90 1jwd n LEU 42 N -4.73 7.05 -3.59 1.33 4.77 0.13 -4.91 117.00 117.05 1jwd n LEU 42 Ca -0.08 -4.71 -0.44 0.00 -0.03 0.00 0.00 56.01 50.76 1jwd n LEU 42 Cb 0.33 -1.45 -0.09 0.00 -2.33 0.00 0.00 43.42 39.88 1jwd n LEU 42 CO 0.27 1.57 1.76 0.41 -1.33 0.00 0.00 177.39 180.07 1jwd n THR 43 N 2.90 0.84 -1.96 -5.08 -1.04 -1.25 -4.49 114.28 104.20 1jwd n THR 43 Ca 0.46 -0.74 -0.29 0.00 -2.04 0.00 0.00 64.05 61.44 1jwd n THR 43 Cb 0.33 -2.15 -0.05 0.00 -1.82 0.00 0.00 70.33 66.65 1jwd n THR 43 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1jwd s ILE 44 N 6.34 3.35 -0.87 12.58 -4.36 -1.26 -4.86 121.20 132.12 1jwd s ILE 44 Ca 0.64 -0.16 -0.06 0.00 -0.26 0.00 0.00 60.65 60.81 1jwd s ILE 44 Cb 0.14 -3.82 -0.06 0.00 1.25 0.00 0.00 42.46 39.98 1jwd s ILE 44 CO 0.24 -0.78 2.05 0.61 0.24 0.00 0.00 174.94 177.30 1jwd n GLY 45 N 6.50 3.02 2.69 6.27 0.00 -1.26 -3.74 105.19 118.67 1jwd n GLY 45 Ca 0.36 -0.84 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 1jwd n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jwd n SER 46 N 4.46 -1.66 0.00 1.61 7.64 -1.26 -5.05 113.62 119.36 1jwd n SER 46 Ca 0.43 -2.57 0.01 0.00 1.01 0.00 0.00 58.87 57.76 1jwd n SER 46 Cb 0.14 1.44 0.07 0.00 -1.01 0.00 0.00 64.21 64.85 1jwd n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1jwd n LYS 47 N 0.37 0.01 -0.30 1.43 4.76 -1.24 -1.00 118.16 122.19 1jwd n LYS 47 Ca -0.02 0.40 0.16 0.00 -2.87 0.00 0.00 58.31 55.98 1jwd n LYS 47 Cb 0.73 -1.50 0.41 0.00 -1.84 0.00 0.00 35.03 32.84 1jwd n LYS 47 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1jwd h LEU 48 N 0.00 0.60 0.00 -0.35 -0.00 -1.96 0.64 115.31 114.23 1jwd h LEU 48 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1jwd h LEU 48 Cb 0.05 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1jwd h LEU 48 CO 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 178.44 178.68 1jwd n GLN 49 N -4.61 0.09 -0.14 1.13 1.13 -0.17 -3.22 117.38 111.57 1jwd n GLN 49 Ca 0.21 0.24 0.19 0.00 -1.94 0.00 0.00 57.00 55.70 1jwd n GLN 49 Cb 0.62 -1.50 0.58 0.00 0.11 0.00 0.00 30.24 30.04 1jwd n GLN 49 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1jwd h ASP 50 N 0.00 0.25 -0.33 1.08 3.32 -1.07 0.28 116.42 119.95 1jwd h ASP 50 Ca 0.00 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.13 1jwd h ASP 50 Cb 0.14 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 1jwd h ASP 50 CO 0.00 0.12 -0.03 0.00 -1.72 0.00 0.00 179.24 177.61 1jwd h ALA 51 N 1.65 0.26 -0.65 3.45 0.00 -1.78 0.18 119.26 122.37 1jwd h ALA 51 Ca 0.37 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 1jwd h ALA 51 Cb 1.06 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1jwd h ALA 51 CO -0.09 -0.43 0.30 0.93 0.00 0.00 0.00 179.25 179.96 1jwd h GLU 52 N 0.05 0.94 -0.72 0.00 4.39 -0.80 -1.43 114.58 117.02 1jwd h GLU 52 Ca 0.16 -0.15 0.07 0.00 0.34 0.00 0.00 59.36 59.78 1jwd h GLU 52 Cb 0.23 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 1jwd h GLU 52 CO -0.29 0.76 0.40 0.82 -1.16 0.00 0.00 179.01 179.54 1jwd h ILE 53 N 0.90 0.96 -0.08 3.13 1.08 -0.17 0.78 117.51 124.11 1jwd h ILE 53 Ca 0.22 -0.25 -0.14 0.00 -0.39 0.00 0.00 64.86 64.30 1jwd h ILE 53 Cb 0.14 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.04 1jwd h ILE 53 CO -0.03 0.13 -0.56 -0.37 -0.69 0.00 0.00 178.15 176.64 1jwd h VAL 54 N 0.73 1.37 0.10 1.67 -1.51 -0.16 0.43 116.25 118.88 1jwd h VAL 54 Ca 0.33 -1.88 0.00 0.00 -1.23 0.00 0.00 66.70 63.92 1jwd h VAL 54 Cb 0.22 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 1jwd h VAL 54 CO -0.20 0.56 -0.09 0.50 -1.23 0.00 0.00 177.57 177.12 1jwd h LYS 55 N 0.19 -0.19 -0.85 5.19 1.63 -0.75 0.77 116.57 122.55 1jwd h LYS 55 Ca -0.00 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.92 1jwd h LYS 55 Cb 1.04 0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.64 1jwd h LYS 55 CO 0.09 -0.13 0.49 1.25 -3.45 0.00 0.00 179.45 177.70 1jwd h LEU 56 N -0.20 0.69 -0.19 5.20 6.46 -0.61 0.38 115.31 127.04 1jwd h LEU 56 Ca 0.00 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1jwd h LEU 56 Cb 0.18 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1jwd h LEU 56 CO -0.02 0.37 0.12 -0.03 -0.62 0.00 0.00 178.44 178.27 1jwd h MET 57 N 0.79 0.24 -0.32 1.25 4.05 0.23 0.63 114.93 121.81 1jwd h MET 57 Ca 0.42 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.88 1jwd h MET 57 Cb 0.43 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.12 1jwd h MET 57 CO -0.27 0.16 0.02 0.22 0.23 0.00 0.00 176.91 177.27 1jwd h ASP 58 N 0.25 -0.08 -0.20 1.39 3.58 0.14 0.22 116.42 121.72 1jwd h ASP 58 Ca 0.07 0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.63 1jwd h ASP 58 Cb -0.02 0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.09 1jwd h ASP 58 CO -0.02 -0.01 -0.09 0.44 -2.88 0.00 0.00 179.24 176.68 1jwd h ASP 59 N 0.12 -0.30 0.59 2.28 3.32 -0.35 0.23 116.42 122.31 1jwd h ASP 59 Ca 0.15 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1jwd h ASP 59 Cb 0.19 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1jwd h ASP 59 CO -0.24 -0.12 -0.44 -0.07 -1.72 0.00 0.00 179.24 176.65 1jwd h LEU 60 N -0.06 -1.16 -1.43 1.55 3.38 -0.53 -3.19 115.31 113.86 1jwd h LEU 60 Ca 0.11 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1jwd h LEU 60 Cb 0.22 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1jwd h LEU 60 CO -0.24 -0.65 0.00 -2.24 0.09 0.00 0.00 178.44 175.40 1jwd h ASP 61 N -1.00 0.00 -1.09 -0.43 3.04 -0.29 -3.04 116.42 113.61 1jwd h ASP 61 Ca -0.07 0.00 0.39 0.00 -3.24 0.00 0.00 57.03 54.11 1jwd h ASP 61 Cb 0.84 0.00 -0.16 0.00 -1.04 0.00 0.00 39.33 38.97 1jwd h ASP 61 CO 0.02 0.00 0.64 -0.09 -2.04 0.00 0.00 179.24 177.77 1jwd h ARG 62 N 0.00 0.12 -0.30 4.15 2.43 -0.54 0.19 114.38 120.42 1jwd h ARG 62 Ca 0.00 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1jwd h ARG 62 Cb 0.45 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 1jwd h ARG 62 CO 0.00 0.08 -0.13 -1.71 -1.51 0.00 0.00 179.97 176.69 1jwd n ASN 63 N -5.04 -0.23 -2.73 -3.80 5.15 -1.15 -3.55 115.26 103.92 1jwd n ASN 63 Ca 0.36 0.53 -0.08 0.00 -0.60 0.00 0.00 54.58 54.78 1jwd n ASN 63 Cb 1.24 -0.11 0.08 0.00 -0.53 0.00 0.00 39.78 40.46 1jwd n ASN 63 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1jwd n LYS 64 N -4.42 0.83 0.00 1.20 4.81 0.39 -4.99 118.16 115.98 1jwd n LYS 64 Ca 0.02 -1.72 0.00 0.00 -0.87 0.00 0.00 58.31 55.74 1jwd n LYS 64 Cb 0.11 -1.09 0.00 0.00 0.02 0.00 0.00 35.03 34.06 1jwd n LYS 64 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1jwd n ASP 65 N 0.89 0.00 0.17 3.14 5.75 0.31 -0.97 116.55 125.84 1jwd n ASP 65 Ca 0.06 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.89 1jwd n ASP 65 Cb 0.68 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.98 1jwd n ASP 65 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1jwd h GLN 66 N 0.00 0.00 -3.91 0.11 5.75 -1.95 -3.42 115.11 111.68 1jwd h GLN 66 Ca 0.00 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.38 1jwd h GLN 66 Cb 0.00 0.00 -0.17 0.00 1.07 0.00 0.00 27.48 28.38 1jwd h GLN 66 CO 0.00 0.41 -0.56 -1.21 -2.65 0.00 0.00 178.83 174.82 1jwd s GLU 67 N -3.30 0.60 -0.13 1.69 2.02 -0.14 -0.67 118.70 118.76 1jwd s GLU 67 Ca 0.02 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.14 1jwd s GLU 67 Cb 0.09 0.23 -0.02 0.00 0.10 0.00 0.00 34.13 34.53 1jwd s GLU 67 CO 0.70 -0.14 -0.11 0.54 0.02 0.00 0.00 175.26 176.27 1jwd s VAL 68 N -2.93 3.21 0.48 2.63 0.11 0.28 -1.88 120.40 122.29 1jwd s VAL 68 Ca -0.02 -0.61 -0.12 0.00 -2.93 0.00 0.00 61.98 58.30 1jwd s VAL 68 Cb 0.01 -2.36 -0.06 0.00 -1.53 0.00 0.00 36.38 32.44 1jwd s VAL 68 CO -0.06 0.52 0.87 0.54 -3.33 0.00 0.00 175.10 173.64 1jwd s ASN 69 N 0.35 6.49 0.18 3.54 2.20 -1.26 -0.68 114.94 125.75 1jwd s ASN 69 Ca -0.10 1.29 -0.23 0.00 -0.94 0.00 0.00 52.86 52.88 1jwd s ASN 69 Cb -0.16 -2.39 0.09 0.00 -2.00 0.00 0.00 41.25 36.79 1jwd s ASN 69 CO 0.05 -0.54 1.58 0.15 -2.94 0.00 0.00 177.10 175.40 1jwd h PHE 70 N 0.82 -1.09 -0.58 1.54 3.57 -1.32 0.78 116.94 120.66 1jwd h PHE 70 Ca -0.47 0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.03 1jwd h PHE 70 Cb 1.19 0.57 -0.02 0.00 2.79 0.00 0.00 35.95 40.47 1jwd h PHE 70 CO 0.62 -0.40 0.03 0.37 -2.23 0.00 0.00 178.31 176.70 1jwd h GLN 71 N -0.19 0.97 -0.22 1.11 4.15 -1.95 -0.74 115.11 118.25 1jwd h GLN 71 Ca 0.21 -0.27 -0.10 0.00 0.77 0.00 0.00 58.65 59.26 1jwd h GLN 71 Cb 0.56 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1jwd h GLN 71 CO -0.70 0.94 -0.29 0.93 -1.93 0.00 0.00 178.83 177.79 1jwd h GLU 72 N 0.90 0.44 -0.08 1.69 5.08 -1.74 0.13 114.58 121.00 1jwd h GLU 72 Ca 0.17 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1jwd h GLU 72 Cb 0.48 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1jwd h GLU 72 CO 0.02 0.69 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.67 1jwd h TYR 73 N 0.38 -0.31 -0.06 4.33 3.20 -0.17 0.17 116.97 124.51 1jwd h TYR 73 Ca 0.05 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1jwd h TYR 73 Cb 0.70 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1jwd h TYR 73 CO 0.02 -0.19 -0.05 0.82 -1.64 0.00 0.00 178.16 177.13 1jwd h ILE 74 N -0.17 0.86 -0.56 1.81 1.08 -0.58 0.10 117.51 120.05 1jwd h ILE 74 Ca 0.07 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.65 1jwd h ILE 74 Cb 0.27 0.86 -0.08 0.00 -3.07 0.00 0.00 36.82 34.79 1jwd h ILE 74 CO -0.18 0.00 0.08 0.74 -0.69 0.00 0.00 178.15 178.10 1jwd h THR 75 N -0.05 0.63 -0.41 -0.27 2.02 -0.53 0.61 112.91 114.90 1jwd h THR 75 Ca 0.04 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 1jwd h THR 75 Cb 0.12 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1jwd h THR 75 CO -0.10 0.04 0.12 0.15 0.37 0.00 0.00 175.52 176.09 1jwd h PHE 76 N 0.20 0.67 -0.59 3.16 3.04 -0.30 -1.47 116.94 121.65 1jwd h PHE 76 Ca 0.29 -0.07 0.11 0.00 3.98 0.00 0.00 57.97 62.27 1jwd h PHE 76 Cb 0.43 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.71 1jwd h PHE 76 CO -0.27 0.63 0.40 -0.07 -2.02 0.00 0.00 178.31 176.98 1jwd h LEU 77 N 0.52 0.31 -0.18 0.59 3.38 0.39 0.33 115.31 120.64 1jwd h LEU 77 Ca 0.13 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1jwd h LEU 77 Cb 0.28 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1jwd h LEU 77 CO -0.00 0.18 -0.01 1.23 0.09 0.00 0.00 178.44 179.94 1jwd h GLY 78 N 0.34 0.17 0.73 0.83 0.00 0.07 0.16 103.07 105.37 1jwd h GLY 78 Ca 0.28 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.68 1jwd h GLY 78 CO -0.07 -0.04 0.37 0.00 0.00 0.00 0.00 176.54 176.80 1jwd h ALA 79 N 1.16 0.86 -0.56 3.60 0.00 0.11 -0.14 119.26 124.29 1jwd h ALA 79 Ca 0.09 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1jwd h ALA 79 Cb 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1jwd h ALA 79 CO -0.15 0.06 0.34 1.25 0.00 0.00 0.00 179.25 180.76 1jwd h LEU 80 N 0.69 0.57 -0.32 0.00 5.85 0.05 0.26 115.31 122.41 1jwd h LEU 80 Ca 0.28 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.04 1jwd h LEU 80 Cb 0.14 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1jwd h LEU 80 CO -0.16 0.40 0.12 0.00 -0.34 0.00 0.00 178.44 178.46 1jwd h ALA 81 N 1.24 0.37 -0.82 1.25 0.00 -0.33 0.18 119.26 121.15 1jwd h ALA 81 Ca 0.22 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1jwd h ALA 81 Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1jwd h ALA 81 CO -0.09 -0.27 0.54 1.98 0.00 0.00 0.00 179.25 181.41 1jwd h MET 82 N 0.27 0.99 -0.24 0.00 1.85 0.05 -0.39 114.93 117.45 1jwd h MET 82 Ca 0.14 -0.06 -0.14 0.00 -0.61 0.00 0.00 59.70 59.03 1jwd h MET 82 Cb 0.10 -0.22 -0.00 0.00 0.43 0.00 0.00 31.60 31.90 1jwd h MET 82 CO -0.13 0.65 -0.40 0.82 -0.40 0.00 0.00 176.91 177.45 1jwd h ILE 83 N 1.02 1.31 -0.41 1.77 2.04 0.05 -2.80 117.51 120.48 1jwd h ILE 83 Ca 0.33 -1.60 0.08 0.00 1.00 0.00 0.00 64.86 64.67 1jwd h ILE 83 Cb 0.04 1.74 -0.08 0.00 -0.74 0.00 0.00 36.82 37.77 1jwd h ILE 83 CO -0.10 0.51 -0.12 1.88 0.00 0.00 0.00 178.15 180.32 1jwd h TYR 84 N 0.42 -0.27 0.00 1.37 -1.99 -0.27 -3.44 116.97 112.79 1jwd h TYR 84 Ca 0.02 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1jwd h TYR 84 Cb 0.99 0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.90 1jwd h TYR 84 CO 0.08 -0.20 0.00 -1.71 -0.00 0.00 0.00 178.16 176.34 1jwd n ASN 85 N -5.33 0.00 -0.32 3.88 2.85 -0.19 -4.27 115.26 111.88 1jwd n ASN 85 Ca 0.02 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.60 1jwd n ASN 85 Cb 0.24 0.00 0.27 0.00 1.24 0.00 0.00 39.78 41.53 1jwd n ASN 85 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1jwd h GLU 86 N 0.00 0.67 -0.98 1.20 4.39 -1.86 0.12 114.58 118.12 1jwd h GLU 86 Ca 0.00 -0.04 0.31 0.00 0.34 0.00 0.00 59.36 59.97 1jwd h GLU 86 Cb 0.00 -0.15 -0.15 0.00 -0.10 0.00 0.00 28.75 28.35 1jwd h GLU 86 CO 0.00 0.44 0.48 0.00 -1.16 0.00 0.00 179.01 178.77 1jwd h ALA 87 N 1.61 1.80 -0.90 3.43 0.00 -1.83 0.22 119.26 123.59 1jwd h ALA 87 Ca 0.52 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.63 1jwd h ALA 87 Cb 0.79 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1jwd h ALA 87 CO -0.38 -0.57 0.50 -0.07 0.00 0.00 0.00 179.25 178.73 1jwd h LEU 88 N 0.27 1.11 -0.14 0.00 3.38 -1.04 -2.54 115.31 116.35 1jwd h LEU 88 Ca 0.70 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.48 1jwd h LEU 88 Cb 1.58 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1jwd h LEU 88 CO -0.64 0.88 -0.27 0.11 0.09 0.00 0.00 178.44 178.61 1jwd h LYS 89 N 1.25 0.43 0.00 1.13 1.79 -0.73 -3.53 116.57 116.92 1jwd h LYS 89 Ca 0.32 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1jwd h LYS 89 Cb 0.01 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1jwd h LYS 89 CO -0.05 0.88 0.00 0.41 -1.08 0.00 0.00 179.45 179.61