#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 0.04 -0.86 -5.12 0.00 -2.05 -3.38 119.26 107.89 1jwd h ALA 2 Ca 0.00 -0.53 0.22 0.00 0.00 0.00 0.00 54.91 54.60 1jwd h ALA 2 Cb 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.68 1jwd h ALA 2 CO 0.00 0.23 0.21 0.77 0.00 0.00 0.00 179.25 180.45 1jwd h SER 3 N -0.32 -0.04 -0.62 0.00 0.02 -2.05 0.14 113.55 110.68 1jwd h SER 3 Ca -0.06 0.19 0.09 0.00 -0.84 0.00 0.00 61.79 61.18 1jwd h SER 3 Cb 1.19 0.27 -0.07 0.00 0.14 0.00 0.00 62.40 63.93 1jwd h SER 3 CO 0.09 -0.15 0.24 -0.65 -1.14 0.00 0.00 176.83 175.22 1jwd h PRO 4 N 0.20 0.42 -0.05 3.45 0.11 -2.01 -0.45 132.00 133.67 1jwd h PRO 4 Ca 0.53 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.56 1jwd h PRO 4 Cb 1.04 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1jwd h PRO 4 CO -0.65 0.28 -0.19 1.25 -0.21 0.00 0.00 178.00 178.48 1jwd h LEU 5 N 0.43 0.26 -0.48 2.35 5.85 -1.04 -3.09 115.31 119.59 1jwd h LEU 5 Ca 0.31 -0.63 0.09 0.00 0.84 0.00 0.00 57.88 58.49 1jwd h LEU 5 Cb 0.38 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 1jwd h LEU 5 CO -0.30 0.85 -0.02 0.44 -0.34 0.00 0.00 178.44 179.06 1jwd h ASP 6 N -0.31 -0.25 -0.69 1.25 3.32 -0.77 0.71 116.42 119.69 1jwd h ASP 6 Ca -0.01 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1jwd h ASP 6 Cb 0.83 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 1jwd h ASP 6 CO 0.04 -0.09 0.28 0.06 -1.72 0.00 0.00 179.24 177.82 1jwd h GLN 7 N 0.09 1.05 0.19 3.56 3.07 -1.19 0.18 115.11 122.06 1jwd h GLN 7 Ca 0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 58.65 58.79 1jwd h GLN 7 Cb 0.36 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.75 1jwd h GLN 7 CO -0.42 0.85 -0.09 0.00 0.09 0.00 0.00 178.83 179.26 1jwd h ALA 8 N 1.28 -0.26 -0.42 0.06 0.00 -0.88 0.26 119.26 119.31 1jwd h ALA 8 Ca 0.24 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1jwd h ALA 8 Cb 0.20 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1jwd h ALA 8 CO -0.02 -0.51 0.20 -0.84 0.00 0.00 0.00 179.25 178.08 1jwd h ILE 9 N -0.52 0.96 -0.94 0.00 3.07 -0.92 -1.31 117.51 117.86 1jwd h ILE 9 Ca -0.03 -0.14 0.27 0.00 1.55 0.00 0.00 64.86 66.51 1jwd h ILE 9 Cb 0.39 0.51 -0.17 0.00 -0.27 0.00 0.00 36.82 37.29 1jwd h ILE 9 CO 0.04 0.07 0.13 1.23 -1.05 0.00 0.00 178.15 178.58 1jwd h GLY 10 N 0.41 1.33 0.60 0.16 0.00 -0.37 0.19 103.07 105.39 1jwd h GLY 10 Ca 0.18 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 1jwd h GLY 10 CO -0.14 -0.48 -0.46 -2.00 0.00 0.00 0.00 176.54 173.46 1jwd h LEU 11 N 0.07 -1.21 -0.55 3.11 7.12 0.72 0.22 115.31 124.79 1jwd h LEU 11 Ca 0.59 0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.79 1jwd h LEU 11 Cb 1.24 0.38 -0.08 0.00 -0.53 0.00 0.00 40.66 41.67 1jwd h LEU 11 CO -0.81 -0.65 0.09 -0.07 -0.13 0.00 0.00 178.44 176.87 1jwd h LEU 12 N -1.02 -0.05 -0.19 2.25 4.07 -1.12 0.90 115.31 120.15 1jwd h LEU 12 Ca -0.08 0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1jwd h LEU 12 Cb 0.85 0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1jwd h LEU 12 CO 0.02 -0.00 0.10 0.40 -1.08 0.00 0.00 178.44 177.87 1jwd h ILE 13 N 0.22 1.13 0.33 1.22 5.03 -0.75 -0.69 117.51 124.00 1jwd h ILE 13 Ca 0.28 -0.36 -0.02 0.00 -0.12 0.00 0.00 64.86 64.64 1jwd h ILE 13 Cb 0.41 1.01 0.00 0.00 -3.03 0.00 0.00 36.82 35.21 1jwd h ILE 13 CO -0.38 0.12 -0.16 1.23 -0.68 0.00 0.00 178.15 178.28 1jwd h GLY 14 N 0.19 -0.47 -0.04 5.37 0.00 -0.14 0.12 103.07 108.11 1jwd h GLY 14 Ca 0.07 0.17 0.13 0.00 0.00 0.00 0.00 47.33 47.70 1jwd h GLY 14 CO -0.01 -0.17 0.00 -2.22 0.00 0.00 0.00 176.54 174.14 1jwd h ILE 15 N -0.45 0.50 0.90 2.60 2.04 -0.69 0.17 117.51 122.58 1jwd h ILE 15 Ca -0.04 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1jwd h ILE 15 Cb 0.34 0.37 0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1jwd h ILE 15 CO 0.07 0.02 -0.43 0.15 0.00 0.00 0.00 178.15 177.96 1jwd h PHE 16 N 0.12 -1.11 0.00 1.37 3.04 -0.83 -3.19 116.94 116.33 1jwd h PHE 16 Ca 0.32 -0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.18 1jwd h PHE 16 Cb 0.51 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 1jwd h PHE 16 CO -0.36 -0.69 -0.28 0.45 -2.02 0.00 0.00 178.31 175.40 1jwd h HIS 17 N -1.24 0.00 -0.59 0.41 3.86 -0.47 0.11 115.15 117.23 1jwd h HIS 17 Ca -0.12 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.19 1jwd h HIS 17 Cb 0.92 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.31 1jwd h HIS 17 CO 0.02 0.28 0.17 -0.22 0.86 0.00 0.00 177.93 179.04 1jwd h LYS 18 N 0.00 0.31 0.05 2.45 3.64 -0.75 0.87 116.57 123.13 1jwd h LYS 18 Ca -0.00 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1jwd h LYS 18 Cb 0.57 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1jwd h LYS 18 CO 0.04 0.20 -0.38 1.88 -2.27 0.00 0.00 179.45 178.92 1jwd h TYR 19 N 0.32 0.18 -0.87 1.91 -1.99 -1.03 -3.32 116.97 112.16 1jwd h TYR 19 Ca 0.30 -0.13 0.09 0.00 2.00 0.00 0.00 58.73 60.99 1jwd h TYR 19 Cb 0.41 -0.01 -0.07 0.00 2.00 0.00 0.00 36.73 39.06 1jwd h TYR 19 CO -0.21 1.15 0.52 0.66 -0.00 0.00 0.00 178.16 180.28 1jwd h SER 20 N -0.79 0.77 -1.24 3.88 4.64 -0.85 -0.35 113.55 119.61 1jwd h SER 20 Ca -0.08 0.04 0.43 0.00 -0.47 0.00 0.00 61.79 61.72 1jwd h SER 20 Cb 1.24 -0.11 -0.13 0.00 -0.31 0.00 0.00 62.40 63.08 1jwd h SER 20 CO 0.03 0.45 0.79 0.61 -0.87 0.00 0.00 176.83 177.84 1jwd n GLY 21 N -1.33 -0.76 0.25 -0.77 0.00 0.29 -0.13 105.19 102.74 1jwd n GLY 21 Ca 0.14 0.70 -0.01 0.00 0.00 0.00 0.00 46.02 46.85 1jwd n GLY 21 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jwd h LYS 22 N 0.00 0.58 0.08 1.61 3.64 -1.17 -2.74 116.57 118.57 1jwd h LYS 22 Ca 0.80 -0.03 -0.31 0.00 -1.27 0.00 0.00 60.65 59.84 1jwd h LYS 22 Cb 2.56 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 34.22 1jwd h LYS 22 CO -0.45 0.38 -1.64 1.05 -2.27 0.00 0.00 179.45 176.52 1jwd h GLU 23 N 0.60 0.17 0.00 1.90 4.11 -0.68 -3.50 114.58 117.17 1jwd h GLU 23 Ca 0.30 -0.28 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1jwd h GLU 23 Cb 0.26 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1jwd h GLU 23 CO -0.22 0.95 0.00 0.41 0.07 0.00 0.00 179.01 180.22 1jwd n GLY 24 N 1.68 1.19 3.25 1.06 0.00 0.31 -5.00 105.19 107.67 1jwd n GLY 24 Ca -0.19 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.33 1jwd n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jwd n ASP 25 N 0.00 2.90 -4.46 1.61 2.03 -1.26 -2.49 116.55 114.89 1jwd n ASP 25 Ca 0.00 -2.71 -0.29 0.00 0.52 0.00 0.00 54.79 52.31 1jwd n ASP 25 Cb 0.00 -1.37 -0.12 0.00 -0.72 0.00 0.00 41.12 38.91 1jwd n ASP 25 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1jwd s LYS 26 N 5.29 1.65 -0.34 -0.67 1.02 -1.26 -5.02 119.74 120.40 1jwd s LYS 26 Ca 0.60 -1.29 -0.00 0.00 0.02 0.00 0.00 55.97 55.29 1jwd s LYS 26 Cb 0.09 -2.01 0.26 0.00 -0.52 0.00 0.00 37.83 35.66 1jwd s LYS 26 CO 0.11 0.45 1.93 0.72 -0.92 0.00 0.00 175.35 177.64 1jwd n HIS 27 N 0.68 1.73 -3.78 3.18 8.25 -1.26 -4.75 115.22 119.26 1jwd n HIS 27 Ca -0.15 -1.94 -0.13 0.00 -0.26 0.00 0.00 57.72 55.24 1jwd n HIS 27 Cb 0.53 -0.95 -0.10 0.00 1.12 0.00 0.00 29.99 30.60 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 -2.45 0.04 -0.14 1.59 2.01 -1.26 -0.67 115.64 114.76 1jwd s THR 28 Ca 0.34 -0.30 -0.07 0.00 0.31 0.00 0.00 61.69 61.98 1jwd s THR 28 Cb 0.27 -0.50 0.06 0.00 0.01 0.00 0.00 72.50 72.34 1jwd s THR 28 CO 0.01 -0.16 0.32 -0.22 -0.69 0.00 0.00 174.62 173.87 1jwd s LEU 29 N -0.68 0.04 0.65 4.42 0.20 0.34 -4.68 118.68 118.97 1jwd s LEU 29 Ca -0.08 0.69 -0.12 0.00 0.69 0.00 0.00 54.13 55.31 1jwd s LEU 29 Cb -0.04 0.98 -0.02 0.00 -0.43 0.00 0.00 46.19 46.68 1jwd s LEU 29 CO 0.02 -0.19 1.05 -0.44 -0.29 0.00 0.00 176.35 176.50 1jwd s SER 30 N 1.62 5.68 0.05 3.68 0.01 -1.26 -0.22 113.70 123.26 1jwd s SER 30 Ca -0.07 1.64 -0.24 0.00 1.31 0.00 0.00 55.95 58.58 1jwd s SER 30 Cb -0.10 -2.50 -0.17 0.00 0.21 0.00 0.00 66.02 63.46 1jwd s SER 30 CO -0.10 -1.24 1.57 0.07 0.41 0.00 0.00 173.24 173.94 1jwd h LYS 31 N -0.27 -0.06 -0.33 12.44 2.10 -1.91 0.34 116.57 128.87 1jwd h LYS 31 Ca -0.45 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.15 1jwd h LYS 31 Cb 1.21 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.53 1jwd h LYS 31 CO 0.58 0.12 -0.02 -0.22 -2.00 0.00 0.00 179.45 177.91 1jwd h LYS 32 N -0.22 0.52 -0.78 0.07 3.64 -1.93 -0.29 116.57 117.58 1jwd h LYS 32 Ca -0.01 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 1jwd h LYS 32 Cb 0.20 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1jwd h LYS 32 CO 0.01 0.56 0.31 1.49 -2.27 0.00 0.00 179.45 179.55 1jwd h GLU 33 N 0.50 1.17 -0.20 1.90 4.81 -1.78 0.14 114.58 121.12 1jwd h GLU 33 Ca 0.11 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1jwd h GLU 33 Cb 0.35 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1jwd h GLU 33 CO 0.01 0.95 0.04 1.25 -0.73 0.00 0.00 179.01 180.53 1jwd h LEU 34 N 1.13 0.01 -0.77 1.64 7.12 0.31 0.18 115.31 124.94 1jwd h LEU 34 Ca 0.26 0.03 0.08 0.00 0.13 0.00 0.00 57.88 58.38 1jwd h LEU 34 Cb 0.22 0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 40.33 1jwd h LEU 34 CO -0.02 0.03 0.43 0.50 -0.13 0.00 0.00 178.44 179.26 1jwd h LYS 35 N 0.12 0.73 -0.65 1.25 3.64 -0.23 0.11 116.57 121.54 1jwd h LYS 35 Ca 0.09 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1jwd h LYS 35 Cb 0.09 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1jwd h LYS 35 CO -0.12 0.48 0.39 1.49 -2.27 0.00 0.00 179.45 179.42 1jwd h GLU 36 N 0.75 0.88 0.61 1.90 4.57 -0.01 0.12 114.58 123.40 1jwd h GLU 36 Ca 0.36 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 1jwd h GLU 36 Cb 0.29 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1jwd h GLU 36 CO -0.22 0.62 -0.35 1.25 -1.18 0.00 0.00 179.01 179.13 1jwd h LEU 37 N 0.90 -0.88 0.16 1.64 6.46 0.68 -3.00 115.31 121.27 1jwd h LEU 37 Ca 0.23 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1jwd h LEU 37 Cb -0.03 0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1jwd h LEU 37 CO -0.04 -0.56 -0.20 0.40 -0.62 0.00 0.00 178.44 177.42 1jwd h ILE 38 N -0.90 0.56 -0.99 4.05 2.04 -0.11 0.12 117.51 122.28 1jwd h ILE 38 Ca -0.08 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.95 1jwd h ILE 38 Cb 0.72 0.56 -0.09 0.00 -0.74 0.00 0.00 36.82 37.27 1jwd h ILE 38 CO 0.09 0.00 0.62 1.56 0.00 0.00 0.00 178.15 180.42 1jwd h GLN 39 N -0.41 0.80 0.00 2.37 1.08 -0.86 0.31 115.11 118.40 1jwd h GLN 39 Ca 0.01 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1jwd h GLN 39 Cb 0.40 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1jwd h GLN 39 CO -0.07 0.53 -0.06 -0.22 -0.95 0.00 0.00 178.83 178.06 1jwd h LYS 40 N 0.82 0.00 -0.02 1.46 3.64 -1.31 -3.36 116.57 117.80 1jwd h LYS 40 Ca 0.54 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.88 1jwd h LYS 40 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1jwd h LYS 40 CO -0.32 0.35 -0.12 0.93 -2.27 0.00 0.00 179.45 178.02 1jwd h GLU 41 N -1.00 0.12 -3.13 1.90 4.39 -0.56 -3.28 114.58 113.02 1jwd h GLU 41 Ca -0.01 -0.10 -0.79 0.00 0.34 0.00 0.00 59.36 58.80 1jwd h GLU 41 Cb 0.38 0.02 -0.22 0.00 -0.10 0.00 0.00 28.75 28.83 1jwd h GLU 41 CO -0.01 0.79 1.36 1.28 -1.16 0.00 0.00 179.01 181.27 1jwd n LEU 42 N -4.63 6.60 -4.01 1.33 4.32 0.11 -4.95 117.00 115.76 1jwd n LEU 42 Ca -0.09 -4.97 -0.34 0.00 -0.02 0.00 0.00 56.01 50.59 1jwd n LEU 42 Cb 0.41 -1.36 -0.09 0.00 -1.62 0.00 0.00 43.42 40.76 1jwd n LEU 42 CO 0.37 1.58 1.54 0.41 -1.22 0.00 0.00 177.39 180.06 1jwd n THR 43 N 2.14 0.82 -1.95 -5.08 -1.04 -1.24 -4.43 114.28 103.49 1jwd n THR 43 Ca 0.33 -0.78 -0.41 0.00 -2.04 0.00 0.00 64.05 61.15 1jwd n THR 43 Cb 0.34 -2.11 -0.03 0.00 -1.82 0.00 0.00 70.33 66.71 1jwd n THR 43 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1jwd s ILE 44 N 9.91 3.37 0.17 12.58 1.09 -1.26 -4.86 121.20 142.20 1jwd s ILE 44 Ca 0.69 0.32 -0.14 0.00 -1.10 0.00 0.00 60.65 60.42 1jwd s ILE 44 Cb 0.07 -3.66 0.09 0.00 -1.06 0.00 0.00 42.46 37.89 1jwd s ILE 44 CO 0.21 -0.53 1.71 1.23 -0.10 0.00 0.00 174.94 177.46 1jwd h GLY 45 N 15.31 0.50 -5.79 6.18 0.00 -1.98 -3.25 103.07 114.04 1jwd h GLY 45 Ca -0.30 0.01 -0.47 0.00 0.00 0.00 0.00 47.33 46.57 1jwd h GLY 45 CO 1.11 -0.08 2.51 1.44 0.00 0.00 0.00 176.54 181.53 1jwd n SER 46 N -5.15 4.11 0.18 0.19 7.64 -1.26 -4.72 113.62 114.60 1jwd n SER 46 Ca 0.04 -2.44 0.10 0.00 1.01 0.00 0.00 58.87 57.58 1jwd n SER 46 Cb 0.22 -1.11 0.54 0.00 -1.01 0.00 0.00 64.21 62.85 1jwd n SER 46 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jwd h LYS 47 N 6.82 0.00 -1.08 1.43 1.79 -1.99 -0.31 116.57 123.23 1jwd h LYS 47 Ca 0.47 0.00 0.31 0.00 -2.18 0.00 0.00 60.65 59.25 1jwd h LYS 47 Cb 0.33 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.93 1jwd h LYS 47 CO 1.62 0.00 0.76 -0.07 -1.08 0.00 0.00 179.45 180.68 1jwd h LEU 48 N 0.00 0.08 0.00 2.94 3.38 -1.93 0.13 115.31 119.91 1jwd h LEU 48 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jwd h LEU 48 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1jwd h LEU 48 CO 0.00 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1jwd n GLN 49 N -4.28 0.40 -0.30 1.13 6.02 -0.13 -4.06 117.38 116.16 1jwd n GLN 49 Ca 0.24 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.34 1jwd n GLN 49 Cb 1.10 -1.29 0.25 0.00 1.02 0.00 0.00 30.24 31.32 1jwd n GLN 49 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1jwd h ASP 50 N 0.00 -0.25 -0.61 1.08 1.82 -0.99 0.37 116.42 117.85 1jwd h ASP 50 Ca 0.00 0.22 0.11 0.00 -0.39 0.00 0.00 57.03 56.97 1jwd h ASP 50 Cb 0.00 0.36 -0.08 0.00 0.68 0.00 0.00 39.33 40.29 1jwd h ASP 50 CO 0.00 -0.22 0.18 0.00 -1.61 0.00 0.00 179.24 177.58 1jwd h ALA 51 N 1.82 0.75 -0.49 -0.78 0.00 -1.85 0.13 119.26 118.84 1jwd h ALA 51 Ca 0.53 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.50 1jwd h ALA 51 Cb 1.04 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1jwd h ALA 51 CO -0.74 -0.26 0.14 0.93 0.00 0.00 0.00 179.25 179.33 1jwd h GLU 52 N 0.32 0.77 -0.48 0.00 5.08 -0.65 -0.90 114.58 118.73 1jwd h GLU 52 Ca 0.32 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1jwd h GLU 52 Cb 0.44 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1jwd h GLU 52 CO -0.36 0.73 0.24 0.82 -1.00 0.00 0.00 179.01 179.44 1jwd h ILE 53 N 0.67 0.96 -0.08 3.13 1.08 0.24 0.12 117.51 123.63 1jwd h ILE 53 Ca 0.16 -0.16 -0.12 0.00 -0.39 0.00 0.00 64.86 64.34 1jwd h ILE 53 Cb 0.29 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 1jwd h ILE 53 CO -0.00 0.09 -0.51 -0.37 -0.69 0.00 0.00 178.15 176.66 1jwd h VAL 54 N 0.47 1.35 -0.19 1.67 -1.51 -0.48 0.31 116.25 117.88 1jwd h VAL 54 Ca 0.21 -1.76 -0.00 0.00 -1.23 0.00 0.00 66.70 63.92 1jwd h VAL 54 Cb 0.12 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 1jwd h VAL 54 CO -0.15 0.52 0.11 0.50 -1.23 0.00 0.00 177.57 177.32 1jwd h LYS 55 N 0.17 0.25 -0.66 5.19 1.63 -0.77 0.80 116.57 123.18 1jwd h LYS 55 Ca 0.01 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.84 1jwd h LYS 55 Cb 0.96 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.48 1jwd h LYS 55 CO 0.08 0.22 0.37 1.25 -3.45 0.00 0.00 179.45 177.92 1jwd h LEU 56 N 0.21 0.55 0.02 5.20 6.46 -0.39 0.10 115.31 127.46 1jwd h LEU 56 Ca 0.07 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.87 1jwd h LEU 56 Cb 0.03 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 1jwd h LEU 56 CO -0.01 0.36 -0.11 -0.03 -0.62 0.00 0.00 178.44 178.02 1jwd h MET 57 N 0.68 -0.20 -0.30 1.25 4.05 -0.14 0.75 114.93 121.03 1jwd h MET 57 Ca 0.30 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.80 1jwd h MET 57 Cb 0.18 0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 30.95 1jwd h MET 57 CO -0.18 -0.13 -0.26 0.22 0.23 0.00 0.00 176.91 176.78 1jwd h ASP 58 N -0.20 -0.86 -0.94 1.39 3.58 -0.31 0.15 116.42 119.23 1jwd h ASP 58 Ca 0.03 0.16 0.07 0.00 0.42 0.00 0.00 57.03 57.71 1jwd h ASP 58 Cb 0.25 0.41 -0.07 0.00 1.72 0.00 0.00 39.33 41.64 1jwd h ASP 58 CO -0.10 -0.29 0.59 0.44 -2.88 0.00 0.00 179.24 177.00 1jwd h ASP 59 N -0.24 0.93 0.73 2.28 3.32 -0.10 0.32 116.42 123.65 1jwd h ASP 59 Ca 0.15 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1jwd h ASP 59 Cb 0.49 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.87 1jwd h ASP 59 CO -0.44 0.58 -0.35 -0.07 -1.72 0.00 0.00 179.24 177.24 1jwd h LEU 60 N 1.06 -0.83 -1.37 1.55 3.38 -0.18 -3.31 115.31 115.60 1jwd h LEU 60 Ca 0.41 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.33 1jwd h LEU 60 Cb 0.21 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1jwd h LEU 60 CO -0.18 -0.49 -0.29 -2.24 0.09 0.00 0.00 178.44 175.32 1jwd h ASP 61 N -1.15 0.00 -0.69 -0.43 3.04 -0.41 -3.19 116.42 113.58 1jwd h ASP 61 Ca -0.10 0.00 0.20 0.00 -3.24 0.00 0.00 57.03 53.89 1jwd h ASP 61 Cb 0.77 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.04 1jwd h ASP 61 CO 0.16 0.29 0.67 -0.09 -2.04 0.00 0.00 179.24 178.23 1jwd h ARG 62 N 0.00 0.00 -1.18 4.15 1.12 -0.46 0.63 114.38 118.64 1jwd h ARG 62 Ca -0.00 0.00 0.39 0.00 -1.11 0.00 0.00 59.98 59.26 1jwd h ARG 62 Cb 0.62 0.00 -0.13 0.00 -0.01 0.00 0.00 29.97 30.44 1jwd h ARG 62 CO 0.04 0.00 0.73 -2.95 -3.11 0.00 0.00 179.97 174.68 1jwd h ASN 63 N 0.00 0.34 0.00 -3.80 7.08 -1.74 -3.15 115.58 114.30 1jwd h ASN 63 Ca 0.33 0.16 -0.03 0.00 -3.08 0.00 0.00 56.30 53.67 1jwd h ASN 63 Cb 1.66 0.13 -0.06 0.00 -2.08 0.00 0.00 38.32 37.97 1jwd h ASN 63 CO -0.00 -0.17 -0.38 2.29 -2.08 0.00 0.00 177.43 177.08 1jwd n LYS 64 N -4.83 0.00 0.00 4.14 2.85 0.25 -5.06 118.16 115.51 1jwd n LYS 64 Ca 0.35 -0.79 0.00 0.00 -1.05 0.00 0.00 58.31 56.82 1jwd n LYS 64 Cb 1.25 -0.18 0.00 0.00 -0.65 0.00 0.00 35.03 35.45 1jwd n LYS 64 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1jwd n ASP 65 N 0.06 0.00 -0.00 -5.58 5.68 0.19 -4.43 116.55 112.47 1jwd n ASP 65 Ca -0.02 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.16 1jwd n ASP 65 Cb 0.69 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.58 1jwd n ASP 65 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1jwd h GLN 66 N 0.00 -0.09 -4.37 0.11 1.08 -1.94 -3.42 115.11 106.48 1jwd h GLN 66 Ca 0.00 0.01 -0.18 0.00 -1.45 0.00 0.00 58.65 57.02 1jwd h GLN 66 Cb 0.00 0.02 -0.17 0.00 -0.05 0.00 0.00 27.48 27.28 1jwd h GLN 66 CO 0.00 0.48 -0.70 -1.21 -0.95 0.00 0.00 178.83 176.45 1jwd s GLU 67 N -3.24 0.61 0.27 1.46 2.02 -1.26 -3.33 118.70 115.24 1jwd s GLU 67 Ca -0.15 -1.07 -0.26 0.00 0.02 0.00 0.00 54.97 53.51 1jwd s GLU 67 Cb -0.00 -0.01 -0.09 0.00 0.10 0.00 0.00 34.13 34.13 1jwd s GLU 67 CO 0.56 -0.05 0.90 0.08 0.02 0.00 0.00 175.26 176.78 1jwd s VAL 68 N -2.99 4.22 -0.01 2.63 1.01 0.70 -4.19 120.40 121.77 1jwd s VAL 68 Ca 0.02 1.83 0.04 0.00 0.00 0.00 0.00 61.98 63.87 1jwd s VAL 68 Cb 0.01 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1jwd s VAL 68 CO -0.05 0.28 -0.13 0.20 0.00 0.00 0.00 175.10 175.40 1jwd s ASN 69 N -1.46 4.17 0.18 3.32 0.01 -1.26 -0.50 114.94 119.40 1jwd s ASN 69 Ca 0.46 -0.23 -0.24 0.00 -0.71 0.00 0.00 52.86 52.13 1jwd s ASN 69 Cb -0.21 -0.87 0.07 0.00 0.41 0.00 0.00 41.25 40.65 1jwd s ASN 69 CO 0.26 0.30 1.57 0.15 -1.51 0.00 0.00 177.10 177.88 1jwd h PHE 70 N 4.89 -1.18 -0.77 2.20 3.57 -1.27 0.20 116.94 124.58 1jwd h PHE 70 Ca -0.47 0.08 0.10 0.00 3.53 0.00 0.00 57.97 61.20 1jwd h PHE 70 Cb 1.16 0.60 -0.07 0.00 2.79 0.00 0.00 35.95 40.43 1jwd h PHE 70 CO 0.53 -0.41 0.41 0.37 -2.23 0.00 0.00 178.31 176.98 1jwd h GLN 71 N -0.20 0.66 -0.34 1.11 5.75 -1.97 -0.75 115.11 119.36 1jwd h GLN 71 Ca 0.20 -0.04 -0.15 0.00 -0.15 0.00 0.00 58.65 58.51 1jwd h GLN 71 Cb 0.56 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 1jwd h GLN 71 CO -0.70 0.44 -0.37 0.93 -2.65 0.00 0.00 178.83 176.48 1jwd h GLU 72 N 0.68 0.81 -0.11 1.69 4.39 -1.25 -0.06 114.58 120.73 1jwd h GLU 72 Ca 0.38 -0.41 0.04 0.00 0.34 0.00 0.00 59.36 59.71 1jwd h GLU 72 Cb 0.39 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 1jwd h GLU 72 CO -0.27 1.04 -0.19 -0.92 -1.16 0.00 0.00 179.01 177.52 1jwd h TYR 73 N 0.67 -0.49 0.31 4.33 3.20 -0.01 0.24 116.97 125.22 1jwd h TYR 73 Ca 0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1jwd h TYR 73 Cb 0.93 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.44 1jwd h TYR 73 CO 0.05 -0.27 -0.19 0.82 -1.64 0.00 0.00 178.16 176.94 1jwd h ILE 74 N -0.25 0.61 -0.77 1.81 1.08 -0.76 0.97 117.51 120.20 1jwd h ILE 74 Ca 0.09 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.70 1jwd h ILE 74 Cb 0.38 0.61 -0.09 0.00 -3.07 0.00 0.00 36.82 34.65 1jwd h ILE 74 CO -0.26 0.00 0.32 0.74 -0.69 0.00 0.00 178.15 178.26 1jwd h THR 75 N -0.48 0.67 -0.33 -0.27 2.02 -0.87 0.10 112.91 113.76 1jwd h THR 75 Ca -0.03 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1jwd h THR 75 Cb 0.39 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1jwd h THR 75 CO 0.03 0.09 0.06 0.15 0.37 0.00 0.00 175.52 176.22 1jwd h PHE 76 N 0.47 0.57 -0.64 3.16 3.57 -0.17 -0.84 116.94 123.06 1jwd h PHE 76 Ca 0.42 -0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.93 1jwd h PHE 76 Cb 0.63 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 1jwd h PHE 76 CO -0.15 0.61 0.43 -0.07 -2.23 0.00 0.00 178.31 176.89 1jwd h LEU 77 N 0.37 0.45 -0.20 0.59 3.38 0.25 0.26 115.31 120.42 1jwd h LEU 77 Ca 0.10 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1jwd h LEU 77 Cb 0.34 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1jwd h LEU 77 CO 0.01 0.28 -0.04 1.23 0.09 0.00 0.00 178.44 180.00 1jwd h GLY 78 N 0.51 0.15 0.75 0.83 0.00 0.10 0.17 103.07 105.58 1jwd h GLY 78 Ca 0.29 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.72 1jwd h GLY 78 CO -0.09 -0.07 0.24 0.00 0.00 0.00 0.00 176.54 176.62 1jwd h ALA 79 N 1.20 0.60 -0.42 3.60 0.00 0.51 0.63 119.26 125.37 1jwd h ALA 79 Ca 0.09 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1jwd h ALA 79 Cb 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1jwd h ALA 79 CO -0.20 -0.11 0.21 1.25 0.00 0.00 0.00 179.25 180.41 1jwd h LEU 80 N 0.48 0.31 -0.24 0.00 5.85 -0.20 0.16 115.31 121.67 1jwd h LEU 80 Ca 0.21 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1jwd h LEU 80 Cb 0.11 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1jwd h LEU 80 CO -0.14 0.23 0.12 0.00 -0.34 0.00 0.00 178.44 178.30 1jwd h ALA 81 N 1.22 0.29 -0.52 1.25 0.00 -0.35 0.54 119.26 121.68 1jwd h ALA 81 Ca 0.18 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1jwd h ALA 81 Cb 0.08 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1jwd h ALA 81 CO -0.12 -0.28 0.21 1.98 0.00 0.00 0.00 179.25 181.03 1jwd h MET 82 N 0.25 0.39 -0.60 0.00 1.85 -0.16 -0.96 114.93 115.71 1jwd h MET 82 Ca 0.10 -0.02 0.06 0.00 -0.61 0.00 0.00 59.70 59.22 1jwd h MET 82 Cb 0.02 -0.09 -0.05 0.00 0.43 0.00 0.00 31.60 31.91 1jwd h MET 82 CO -0.06 0.26 0.31 0.82 -0.40 0.00 0.00 176.91 177.83 1jwd h ILE 83 N 0.40 0.94 0.00 1.77 2.04 -0.26 -0.40 117.51 122.00 1jwd h ILE 83 Ca 0.25 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1jwd h ILE 83 Cb 0.25 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1jwd h ILE 83 CO -0.23 0.11 0.00 -1.22 0.00 0.00 0.00 178.15 176.80 1jwd n TYR 84 N -4.85 0.00 -0.24 1.37 4.01 0.14 -4.61 117.16 112.97 1jwd n TYR 84 Ca 0.07 -0.50 0.21 0.00 -0.16 0.00 0.00 57.90 57.51 1jwd n TYR 84 Cb 0.17 -0.36 0.38 0.00 -0.31 0.00 0.00 39.34 39.23 1jwd n TYR 84 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1jwd n ASN 85 N 1.58 0.17 -0.28 7.72 0.23 -0.16 -0.25 115.26 124.27 1jwd n ASN 85 Ca 0.00 1.25 0.05 0.00 -0.53 0.00 0.00 54.58 55.34 1jwd n ASN 85 Cb 0.27 -0.57 0.14 0.00 -2.08 0.00 0.00 39.78 37.54 1jwd n ASN 85 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1jwd h GLU 86 N 0.00 0.03 -0.97 -3.83 4.81 -1.87 0.24 114.58 112.99 1jwd h GLU 86 Ca 0.59 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.88 1jwd h GLU 86 Cb 1.48 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.79 1jwd h GLU 86 CO -0.61 0.02 0.63 0.00 -0.73 0.00 0.00 179.01 178.32 1jwd h ALA 87 N 1.79 1.44 -0.10 2.92 0.00 -0.75 0.84 119.26 125.39 1jwd h ALA 87 Ca 0.42 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 55.07 1jwd h ALA 87 Cb 0.70 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1jwd h ALA 87 CO -0.79 0.43 -0.84 -0.07 0.00 0.00 0.00 179.25 177.97 1jwd h LEU 88 N 1.13 0.88 -0.56 0.00 4.07 -0.76 -3.04 115.31 117.03 1jwd h LEU 88 Ca 0.41 -0.61 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 1jwd h LEU 88 Cb 0.16 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.61 1jwd h LEU 88 CO -0.16 1.40 0.32 0.11 -1.08 0.00 0.00 178.44 179.03 1jwd h LYS 89 N 0.47 0.77 0.00 1.13 1.79 -0.35 -3.52 116.57 116.87 1jwd h LYS 89 Ca -0.07 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1jwd h LYS 89 Cb 1.48 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1jwd h LYS 89 CO 0.17 0.59 0.00 0.41 -1.08 0.00 0.00 179.45 179.53