#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwd n ALA 2 N 0.00 0.00 0.08 3.04 0.00 -1.26 -0.48 120.51 121.89 1jwd n ALA 2 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1jwd n ALA 2 Cb 0.00 0.42 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 1jwd n ALA 2 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1jwd h SER 3 N 0.00 -0.76 -0.91 0.00 4.64 -2.05 0.17 113.55 114.64 1jwd h SER 3 Ca 0.00 0.10 0.25 0.00 -0.47 0.00 0.00 61.79 61.67 1jwd h SER 3 Cb 0.00 0.30 -0.15 0.00 -0.31 0.00 0.00 62.40 62.25 1jwd h SER 3 CO 0.00 -0.34 0.25 -0.65 -0.87 0.00 0.00 176.83 175.23 1jwd h PRO 4 N -0.42 0.18 -0.01 4.77 0.11 -1.95 0.29 132.00 134.97 1jwd h PRO 4 Ca 0.05 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1jwd h PRO 4 Cb 0.49 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1jwd h PRO 4 CO -0.20 0.12 -0.03 1.25 -0.21 0.00 0.00 178.00 178.93 1jwd h LEU 5 N 0.19 0.04 -0.58 2.35 5.85 0.10 -3.16 115.31 120.10 1jwd h LEU 5 Ca 0.59 -0.62 0.12 0.00 0.84 0.00 0.00 57.88 58.80 1jwd h LEU 5 Cb 1.23 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.15 1jwd h LEU 5 CO -0.69 0.65 0.04 0.44 -0.34 0.00 0.00 178.44 178.55 1jwd h ASP 6 N -0.57 -0.17 -0.65 1.25 3.32 0.15 0.24 116.42 119.99 1jwd h ASP 6 Ca -0.00 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1jwd h ASP 6 Cb 0.65 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 1jwd h ASP 6 CO 0.01 -0.07 0.37 0.06 -1.72 0.00 0.00 179.24 177.89 1jwd h GLN 7 N 0.16 0.92 0.23 3.56 -0.00 -1.09 0.20 115.11 119.09 1jwd h GLN 7 Ca 0.30 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.65 58.85 1jwd h GLN 7 Cb 0.47 -0.19 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 1jwd h GLN 7 CO -0.46 0.67 -0.11 0.00 -0.00 0.00 0.00 178.83 178.93 1jwd h ALA 8 N 1.48 -0.31 -0.71 0.06 0.00 -0.58 0.33 119.26 119.53 1jwd h ALA 8 Ca 0.24 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1jwd h ALA 8 Cb 0.01 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1jwd h ALA 8 CO -0.04 -0.46 0.42 -0.84 0.00 0.00 0.00 179.25 178.32 1jwd h ILE 9 N -0.74 1.02 -0.85 0.00 3.07 -1.02 -0.55 117.51 118.43 1jwd h ILE 9 Ca -0.03 -0.27 0.21 0.00 1.55 0.00 0.00 64.86 66.32 1jwd h ILE 9 Cb 0.50 0.17 -0.12 0.00 -0.27 0.00 0.00 36.82 37.09 1jwd h ILE 9 CO 0.05 0.14 0.29 1.23 -1.05 0.00 0.00 178.15 178.82 1jwd h GLY 10 N 0.78 1.34 0.83 0.16 0.00 -0.45 -0.39 103.07 105.33 1jwd h GLY 10 Ca 0.31 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 1jwd h GLY 10 CO -0.16 -0.27 -0.46 -2.00 0.00 0.00 0.00 176.54 173.65 1jwd h LEU 11 N 0.32 -1.15 -0.58 3.11 7.12 0.13 0.24 115.31 124.50 1jwd h LEU 11 Ca 0.52 0.06 0.11 0.00 0.13 0.00 0.00 57.88 58.69 1jwd h LEU 11 Cb 0.97 0.32 -0.09 0.00 -0.53 0.00 0.00 40.66 41.33 1jwd h LEU 11 CO -0.55 -0.74 0.08 -0.07 -0.13 0.00 0.00 178.44 177.02 1jwd h LEU 12 N -1.19 -0.10 0.10 2.25 4.07 -1.08 0.77 115.31 120.13 1jwd h LEU 12 Ca -0.11 0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1jwd h LEU 12 Cb 0.94 0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.87 1jwd h LEU 12 CO 0.14 -0.03 -0.05 0.40 -1.08 0.00 0.00 178.44 177.82 1jwd h ILE 13 N 0.20 0.96 0.16 1.22 2.04 -0.91 -0.42 117.51 120.75 1jwd h ILE 13 Ca 0.30 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1jwd h ILE 13 Cb 0.46 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1jwd h ILE 13 CO -0.43 0.05 -0.24 1.23 0.00 0.00 0.00 178.15 178.76 1jwd h GLY 14 N -0.22 -0.46 0.10 5.37 0.00 0.02 0.12 103.07 108.01 1jwd h GLY 14 Ca -0.01 0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.64 1jwd h GLY 14 CO 0.02 -0.21 -0.36 -2.22 0.00 0.00 0.00 176.54 173.77 1jwd h ILE 15 N -0.46 0.23 0.32 2.60 2.04 -0.80 0.04 117.51 121.48 1jwd h ILE 15 Ca 0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1jwd h ILE 15 Cb 0.46 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1jwd h ILE 15 CO -0.11 0.00 -0.49 0.15 0.00 0.00 0.00 178.15 177.71 1jwd h PHE 16 N -0.43 -1.38 0.00 1.37 3.57 -0.65 -2.66 116.94 116.75 1jwd h PHE 16 Ca 0.09 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1jwd h PHE 16 Cb 0.58 0.56 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 1jwd h PHE 16 CO -0.43 -0.61 -0.14 1.25 -2.23 0.00 0.00 178.31 176.15 1jwd h HIS 17 N -0.85 0.00 0.53 0.41 2.76 -0.55 0.67 115.15 118.13 1jwd h HIS 17 Ca -0.04 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 1jwd h HIS 17 Cb 0.78 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.74 1jwd h HIS 17 CO -0.33 0.14 -0.26 0.87 -1.30 0.00 0.00 177.93 177.05 1jwd h LYS 18 N 0.00 -0.69 -0.55 5.26 1.57 -0.85 0.21 116.57 121.52 1jwd h LYS 18 Ca -0.00 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1jwd h LYS 18 Cb 0.67 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 1jwd h LYS 18 CO 0.02 -0.43 0.17 1.88 -0.57 0.00 0.00 179.45 180.52 1jwd h TYR 19 N -0.79 0.84 0.78 -1.35 0.05 -1.01 -0.54 116.97 114.94 1jwd h TYR 19 Ca -0.07 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.61 1jwd h TYR 19 Cb 0.58 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 1jwd h TYR 19 CO -0.02 0.68 -0.46 0.77 -1.05 0.00 0.00 178.16 178.08 1jwd h SER 20 N 0.80 -1.14 -0.99 3.88 0.02 -0.88 -3.07 113.55 112.17 1jwd h SER 20 Ca 0.18 0.06 0.33 0.00 -0.84 0.00 0.00 61.79 61.52 1jwd h SER 20 Cb 0.24 0.33 -0.18 0.00 0.14 0.00 0.00 62.40 62.93 1jwd h SER 20 CO -0.01 -0.72 0.26 1.23 -1.14 0.00 0.00 176.83 176.45 1jwd h GLY 21 N -1.15 1.69 -0.27 -3.77 0.00 0.15 0.32 103.07 100.04 1jwd h GLY 21 Ca -0.10 0.01 0.22 0.00 0.00 0.00 0.00 47.33 47.46 1jwd h GLY 21 CO 0.12 -0.62 0.34 1.70 0.00 0.00 0.00 176.54 178.07 1jwd h LYS 22 N 0.03 0.32 0.06 4.80 3.64 -1.02 -2.61 116.57 121.79 1jwd h LYS 22 Ca 0.70 -0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 59.75 1jwd h LYS 22 Cb 1.64 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.36 1jwd h LYS 22 CO -0.84 0.21 -1.74 -0.85 -2.27 0.00 0.00 179.45 173.96 1jwd n GLU 23 N -5.10 0.67 0.00 1.90 0.28 0.77 -5.04 120.64 114.11 1jwd n GLU 23 Ca 0.22 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.60 1jwd n GLU 23 Cb 0.66 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.82 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 1.74 1.32 3.09 -1.84 0.00 0.75 -5.06 105.19 105.19 1jwd n GLY 24 Ca -0.34 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1jwd n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jwd n ASP 25 N 0.00 3.20 -4.40 1.61 8.00 -1.26 -3.18 116.55 120.52 1jwd n ASP 25 Ca 0.00 -2.75 -0.24 0.00 0.71 0.00 0.00 54.79 52.51 1jwd n ASP 25 Cb 0.00 -1.41 -0.11 0.00 -0.02 0.00 0.00 41.12 39.58 1jwd n ASP 25 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1jwd s LYS 26 N 4.59 1.45 0.00 -1.24 -2.85 -1.26 -4.97 119.74 115.45 1jwd s LYS 26 Ca 0.55 -1.53 -0.04 0.00 -1.00 0.00 0.00 55.97 53.95 1jwd s LYS 26 Cb 0.11 -1.63 -0.20 0.00 -2.06 0.00 0.00 37.83 34.06 1jwd s LYS 26 CO 0.06 0.34 3.08 0.72 0.10 0.00 0.00 175.35 179.65 1jwd n HIS 27 N 0.11 0.00 -3.75 1.78 8.25 -1.26 -4.75 115.22 115.60 1jwd n HIS 27 Ca -0.11 -1.29 -0.13 0.00 -0.26 0.00 0.00 57.72 55.93 1jwd n HIS 27 Cb 0.57 -1.31 -0.11 0.00 1.12 0.00 0.00 29.99 30.27 1jwd n HIS 27 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1jwd s THR 28 N 0.96 -0.00 -0.12 1.59 -4.23 -1.26 -1.48 115.64 111.10 1jwd s THR 28 Ca 0.50 0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 61.00 1jwd s THR 28 Cb 0.24 -0.47 -0.03 0.00 1.34 0.00 0.00 72.50 73.57 1jwd s THR 28 CO 0.00 0.01 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.28 1jwd s LEU 29 N 0.30 3.22 0.40 4.79 1.43 0.37 -4.56 118.68 124.62 1jwd s LEU 29 Ca -0.01 -0.09 -0.23 0.00 -1.03 0.00 0.00 54.13 52.77 1jwd s LEU 29 Cb -0.03 -1.75 -0.10 0.00 0.03 0.00 0.00 46.19 44.35 1jwd s LEU 29 CO -0.01 0.24 1.00 -0.55 0.23 0.00 0.00 176.35 177.27 1jwd s SER 30 N -0.09 6.87 0.28 2.29 0.15 -1.26 0.02 113.70 121.96 1jwd s SER 30 Ca 0.02 1.90 -0.00 0.00 0.70 0.00 0.00 55.95 58.56 1jwd s SER 30 Cb -0.13 -2.57 0.64 0.00 -1.71 0.00 0.00 66.02 62.25 1jwd s SER 30 CO 0.03 -0.41 1.64 0.07 1.20 0.00 0.00 173.24 175.77 1jwd h LYS 31 N 2.38 0.16 -0.14 5.44 2.10 -1.03 0.35 116.57 125.84 1jwd h LYS 31 Ca -0.48 -0.01 -0.16 0.00 -2.00 0.00 0.00 60.65 58.00 1jwd h LYS 31 Cb 1.20 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.49 1jwd h LYS 31 CO 0.62 0.11 -0.59 -0.22 -2.00 0.00 0.00 179.45 177.37 1jwd h LYS 32 N 0.17 0.44 -0.53 0.07 1.63 -1.92 0.40 116.57 116.83 1jwd h LYS 32 Ca 0.52 -0.29 -0.07 0.00 -0.85 0.00 0.00 60.65 59.95 1jwd h LYS 32 Cb 1.01 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 1jwd h LYS 32 CO -0.67 0.90 0.07 1.49 -3.45 0.00 0.00 179.45 177.78 1jwd h GLU 33 N 0.33 0.90 -0.26 1.90 4.57 -0.81 0.88 114.58 122.09 1jwd h GLU 33 Ca -0.00 -0.25 0.04 0.00 -1.18 0.00 0.00 59.36 57.97 1jwd h GLU 33 Cb 1.12 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.57 1jwd h GLU 33 CO 0.10 0.88 0.00 1.25 -1.18 0.00 0.00 179.01 180.07 1jwd h LEU 34 N 0.78 -0.10 -0.98 1.64 7.12 -0.58 0.12 115.31 123.31 1jwd h LEU 34 Ca 0.16 0.06 0.09 0.00 0.13 0.00 0.00 57.88 58.31 1jwd h LEU 34 Cb 0.44 0.10 -0.07 0.00 -0.53 0.00 0.00 40.66 40.59 1jwd h LEU 34 CO 0.01 -0.02 0.62 0.50 -0.13 0.00 0.00 178.44 179.43 1jwd h LYS 35 N 0.08 1.04 0.01 1.25 3.64 -0.22 0.52 116.57 122.89 1jwd h LYS 35 Ca 0.12 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1jwd h LYS 35 Cb 0.16 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1jwd h LYS 35 CO -0.20 0.69 -0.02 1.49 -2.27 0.00 0.00 179.45 179.13 1jwd h GLU 36 N 1.07 -0.04 -0.53 1.90 4.81 -0.15 -0.25 114.58 121.38 1jwd h GLU 36 Ca 0.45 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.78 1jwd h GLU 36 Cb 0.30 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.58 1jwd h GLU 36 CO -0.21 -0.03 -0.31 1.25 -0.73 0.00 0.00 179.01 178.98 1jwd h LEU 37 N -0.05 -1.05 0.18 1.64 6.46 0.35 0.10 115.31 122.96 1jwd h LEU 37 Ca 0.01 0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1jwd h LEU 37 Cb 0.05 0.53 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1jwd h LEU 37 CO -0.01 -0.30 -0.09 0.40 -0.62 0.00 0.00 178.44 177.82 1jwd h ILE 38 N -0.17 0.87 -0.99 4.05 2.04 -0.64 0.21 117.51 122.87 1jwd h ILE 38 Ca 0.22 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1jwd h ILE 38 Cb 0.53 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 1jwd h ILE 38 CO -0.63 0.05 0.65 1.56 0.00 0.00 0.00 178.15 179.78 1jwd h GLN 39 N -0.35 1.19 0.09 2.37 4.20 -0.62 0.24 115.11 122.23 1jwd h GLN 39 Ca -0.03 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.48 1jwd h GLN 39 Cb 0.27 -0.27 0.01 0.00 0.30 0.00 0.00 27.48 27.80 1jwd h GLN 39 CO 0.04 0.79 -0.60 -0.22 -0.67 0.00 0.00 178.83 178.17 1jwd h LYS 40 N 1.22 0.20 0.08 1.46 1.63 -0.62 -3.04 116.57 117.51 1jwd h LYS 40 Ca 0.40 -0.34 -0.15 0.00 -0.85 0.00 0.00 60.65 59.71 1jwd h LYS 40 Cb 0.05 0.13 0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1jwd h LYS 40 CO -0.14 1.16 -0.73 0.93 -3.45 0.00 0.00 179.45 177.23 1jwd h GLU 41 N -0.58 0.17 0.00 1.90 4.39 -0.53 -3.41 114.58 116.53 1jwd h GLU 41 Ca -0.11 -0.29 -0.21 0.00 0.34 0.00 0.00 59.36 59.08 1jwd h GLU 41 Cb 1.44 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 30.17 1jwd h GLU 41 CO 0.09 1.14 -1.21 1.28 -1.16 0.00 0.00 179.01 179.15 1jwd n LEU 42 N -4.26 1.86 -2.63 1.33 4.32 0.65 -5.05 117.00 113.21 1jwd n LEU 42 Ca -0.16 0.44 -0.01 0.00 -0.02 0.00 0.00 56.01 56.26 1jwd n LEU 42 Cb 0.72 -0.96 0.00 0.00 -1.62 0.00 0.00 43.42 41.57 1jwd n LEU 42 CO 0.40 0.21 0.23 0.41 -1.22 0.00 0.00 177.39 177.41 1jwd n THR 43 N -4.45 -7.94 -1.76 -5.08 -1.04 0.01 -4.90 114.28 89.12 1jwd n THR 43 Ca -0.30 -0.05 -0.35 0.00 -2.04 0.00 0.00 64.05 61.30 1jwd n THR 43 Cb 0.65 -6.11 -0.03 0.00 -1.82 0.00 0.00 70.33 63.02 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 -2.88 3.16 -0.96 12.58 -0.00 -1.26 -4.86 121.20 126.98 1jwd s ILE 44 Ca 0.03 0.07 -0.07 0.00 -0.00 0.00 0.00 60.65 60.67 1jwd s ILE 44 Cb -0.01 -3.41 -0.10 0.00 -0.00 0.00 0.00 42.46 38.95 1jwd s ILE 44 CO 0.56 -0.40 2.54 0.61 -0.00 0.00 0.00 174.94 178.26 1jwd n GLY 45 N 5.96 3.36 2.74 6.27 0.00 -1.26 -4.20 105.19 118.06 1jwd n GLY 45 Ca 0.31 -1.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 1jwd n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jwd s SER 46 N 2.76 -0.40 0.63 1.61 0.01 -1.26 -5.06 113.70 111.98 1jwd s SER 46 Ca 0.52 -0.33 0.35 0.00 1.31 0.00 0.00 55.95 57.79 1jwd s SER 46 Cb 0.16 0.52 1.88 0.00 0.21 0.00 0.00 66.02 68.79 1jwd s SER 46 CO -0.04 -0.03 2.06 0.11 0.41 0.00 0.00 173.24 175.75 1jwd h LYS 47 N 4.92 0.00 -1.04 12.44 1.57 -2.02 0.32 116.57 132.76 1jwd h LYS 47 Ca -0.01 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 59.03 1jwd h LYS 47 Cb 1.20 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.41 1jwd h LYS 47 CO -0.08 0.00 0.66 -0.07 -0.57 0.00 0.00 179.45 179.39 1jwd h LEU 48 N 0.00 0.46 -1.45 2.94 3.38 -1.97 0.62 115.31 119.30 1jwd h LEU 48 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jwd h LEU 48 Cb 0.35 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1jwd h LEU 48 CO 0.00 0.09 0.00 1.56 0.09 0.00 0.00 178.44 180.18 1jwd h GLN 49 N 0.41 0.00 -1.02 1.13 4.20 -1.30 -3.26 115.11 115.27 1jwd h GLN 49 Ca 0.60 0.00 0.25 0.00 0.06 0.00 0.00 58.65 59.56 1jwd h GLN 49 Cb 1.49 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.16 1jwd h GLN 49 CO -0.31 0.00 0.63 -0.44 -0.67 0.00 0.00 178.83 178.04 1jwd h ASP 50 N 0.00 0.58 -0.42 1.46 5.19 -1.07 0.40 116.42 122.56 1jwd h ASP 50 Ca 0.00 0.11 0.07 0.00 -0.62 0.00 0.00 57.03 56.59 1jwd h ASP 50 Cb 0.11 0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.57 1jwd h ASP 50 CO 0.00 0.12 0.04 0.00 -3.12 0.00 0.00 179.24 176.28 1jwd h ALA 51 N 1.67 0.42 -0.66 3.45 0.00 -1.80 0.15 119.26 122.49 1jwd h ALA 51 Ca 0.61 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.55 1jwd h ALA 51 Cb 1.31 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1jwd h ALA 51 CO -0.38 -0.36 0.11 0.93 0.00 0.00 0.00 179.25 179.55 1jwd h GLU 52 N 0.15 1.08 -0.19 0.00 4.39 -0.55 -0.41 114.58 119.06 1jwd h GLU 52 Ca 0.20 -0.29 0.03 0.00 0.34 0.00 0.00 59.36 59.65 1jwd h GLU 52 Cb 0.28 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1jwd h GLU 52 CO -0.31 0.99 -0.02 0.82 -1.16 0.00 0.00 179.01 179.34 1jwd h ILE 53 N 1.00 0.85 -0.12 3.13 1.08 -0.23 0.76 117.51 123.98 1jwd h ILE 53 Ca 0.20 -0.01 -0.10 0.00 -0.39 0.00 0.00 64.86 64.56 1jwd h ILE 53 Cb 0.43 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 1jwd h ILE 53 CO 0.01 0.01 -0.37 -0.37 -0.69 0.00 0.00 178.15 176.74 1jwd h VAL 54 N 0.04 1.29 0.08 1.67 -1.51 -0.39 0.34 116.25 117.77 1jwd h VAL 54 Ca 0.09 -1.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.14 1jwd h VAL 54 Cb 0.12 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 1jwd h VAL 54 CO -0.16 0.43 -0.09 0.50 -1.23 0.00 0.00 177.57 177.02 1jwd h LYS 55 N 0.21 -0.18 -0.80 5.19 1.63 -0.72 0.94 116.57 122.84 1jwd h LYS 55 Ca 0.02 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.89 1jwd h LYS 55 Cb 0.76 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.37 1jwd h LYS 55 CO 0.06 -0.12 0.49 1.25 -3.45 0.00 0.00 179.45 177.68 1jwd h LEU 56 N -0.19 0.77 -0.00 5.20 6.46 -0.34 0.77 115.31 127.98 1jwd h LEU 56 Ca 0.01 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.79 1jwd h LEU 56 Cb 0.19 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 1jwd h LEU 56 CO -0.03 0.50 -0.04 -0.03 -0.62 0.00 0.00 178.44 178.22 1jwd h MET 57 N 0.90 -0.06 -0.28 1.25 4.05 -0.11 0.83 114.93 121.51 1jwd h MET 57 Ca 0.34 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.83 1jwd h MET 57 Cb 0.14 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.90 1jwd h MET 57 CO -0.16 -0.04 -0.10 0.22 0.23 0.00 0.00 176.91 177.06 1jwd h ASP 58 N -0.07 -0.35 -0.12 1.39 3.58 -0.22 0.79 116.42 121.43 1jwd h ASP 58 Ca 0.02 0.10 0.04 0.00 0.42 0.00 0.00 57.03 57.60 1jwd h ASP 58 Cb 0.09 0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.30 1jwd h ASP 58 CO -0.04 -0.13 -0.14 0.44 -2.88 0.00 0.00 179.24 176.49 1jwd h ASP 59 N -0.05 -0.44 0.16 2.28 3.32 -0.34 0.37 116.42 121.73 1jwd h ASP 59 Ca 0.14 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.28 1jwd h ASP 59 Cb 0.26 0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 1jwd h ASP 59 CO -0.31 -0.19 -0.48 -0.07 -1.72 0.00 0.00 179.24 176.47 1jwd h LEU 60 N -0.17 -1.42 -0.92 1.55 3.38 -0.42 -3.10 115.31 114.20 1jwd h LEU 60 Ca 0.09 0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1jwd h LEU 60 Cb 0.31 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1jwd h LEU 60 CO -0.23 -0.52 -0.34 -2.24 0.09 0.00 0.00 178.44 175.20 1jwd h ASP 61 N -0.71 0.00 0.43 -0.43 3.04 -0.55 -2.72 116.42 115.48 1jwd h ASP 61 Ca -0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 1jwd h ASP 61 Cb 0.70 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.99 1jwd h ASP 61 CO -0.23 0.34 0.00 -1.14 -2.04 0.00 0.00 179.24 176.17 1jwd n ARG 62 N -3.47 0.16 0.06 4.15 3.00 0.13 -0.50 116.66 120.19 1jwd n ARG 62 Ca 0.00 0.50 0.14 0.00 -0.00 0.00 0.00 57.85 58.49 1jwd n ARG 62 Cb 0.50 -1.89 0.62 0.00 0.00 0.00 0.00 32.46 31.69 1jwd n ARG 62 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1jwd h ASN 63 N 0.00 0.10 0.00 6.15 -0.00 -1.48 -3.42 115.58 116.93 1jwd h ASN 63 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1jwd h ASN 63 Cb 0.22 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.52 1jwd h ASN 63 CO 0.00 0.06 0.00 1.17 -0.00 0.00 0.00 177.43 178.66 1jwd n LYS 64 N -4.45 0.00 -3.62 6.67 4.81 0.35 -5.10 118.16 116.82 1jwd n LYS 64 Ca 0.06 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.30 1jwd n LYS 64 Cb 0.37 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.27 1jwd n LYS 64 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1jwd s ASP 65 N 1.00 1.25 0.00 3.14 -4.77 -1.01 -4.96 116.67 111.31 1jwd s ASP 65 Ca 0.00 -0.01 0.00 0.00 -3.30 0.00 0.00 52.55 49.24 1jwd s ASP 65 Cb 0.00 0.15 0.00 0.00 -1.09 0.00 0.00 42.92 41.98 1jwd s ASP 65 CO 0.00 -0.29 0.00 0.00 0.70 0.00 0.00 175.17 175.58 1jwd n GLN 66 N 5.31 0.00 -3.65 2.11 6.02 -1.23 -4.84 117.38 121.11 1jwd n GLN 66 Ca -0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.54 1jwd n GLN 66 Cb 0.50 -0.26 -0.11 0.00 1.02 0.00 0.00 30.24 31.38 1jwd n GLN 66 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1jwd s GLU 67 N 0.00 2.72 -0.43 -1.09 0.41 -1.26 -0.27 118.70 118.78 1jwd s GLU 67 Ca 0.00 -1.17 -0.29 0.00 -0.41 0.00 0.00 54.97 53.10 1jwd s GLU 67 Cb 0.00 -3.66 0.02 0.00 -1.78 0.00 0.00 34.13 28.71 1jwd s GLU 67 CO 0.00 -0.73 1.23 0.08 -0.49 0.00 0.00 175.26 175.36 1jwd s VAL 68 N 1.49 4.13 0.47 2.63 1.01 0.10 -4.60 120.40 125.62 1jwd s VAL 68 Ca 0.01 1.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.96 1jwd s VAL 68 Cb -0.20 -4.43 -0.09 0.00 0.00 0.00 0.00 36.38 31.66 1jwd s VAL 68 CO 0.05 -0.84 1.00 0.21 0.00 0.00 0.00 175.10 175.51 1jwd s ASN 69 N 2.89 6.60 0.26 3.32 3.84 -1.26 -0.48 114.94 130.11 1jwd s ASN 69 Ca 0.53 1.79 -0.11 0.00 0.21 0.00 0.00 52.86 55.27 1jwd s ASN 69 Cb -0.10 -2.55 0.39 0.00 -0.55 0.00 0.00 41.25 38.45 1jwd s ASN 69 CO 0.30 -0.60 1.55 0.33 -2.79 0.00 0.00 177.10 175.90 1jwd n PHE 70 N -0.93 0.26 -0.23 0.43 7.35 -0.55 -0.73 117.46 123.07 1jwd n PHE 70 Ca 0.08 1.22 -0.07 0.00 -0.76 0.00 0.00 57.45 57.92 1jwd n PHE 70 Cb 0.53 -1.02 0.04 0.00 0.35 0.00 0.00 39.48 39.38 1jwd n PHE 70 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1jwd h GLN 71 N 0.00 0.93 -0.46 -4.13 5.75 -1.93 -0.21 115.11 115.06 1jwd h GLN 71 Ca 0.44 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.78 1jwd h GLN 71 Cb 0.69 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 1jwd h GLN 71 CO -1.02 0.75 0.20 0.93 -2.65 0.00 0.00 178.83 177.04 1jwd h GLU 72 N 0.89 0.67 -0.05 1.69 5.08 -1.42 0.18 114.58 121.62 1jwd h GLU 72 Ca 0.22 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1jwd h GLU 72 Cb 0.13 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1jwd h GLU 72 CO -0.03 0.59 -0.24 -0.92 -1.00 0.00 0.00 179.01 177.42 1jwd h TYR 73 N 0.59 -0.63 -0.19 4.33 3.20 -0.40 0.15 116.97 124.01 1jwd h TYR 73 Ca 0.15 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1jwd h TYR 73 Cb 0.16 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1jwd h TYR 73 CO -0.00 -0.32 0.06 0.82 -1.64 0.00 0.00 178.16 177.07 1jwd h ILE 74 N -0.35 0.94 -0.36 1.81 1.08 -0.72 0.67 117.51 120.58 1jwd h ILE 74 Ca 0.08 -0.05 0.07 0.00 -0.39 0.00 0.00 64.86 64.57 1jwd h ILE 74 Cb 0.45 0.78 -0.07 0.00 -3.07 0.00 0.00 36.82 34.91 1jwd h ILE 74 CO -0.25 0.03 -0.12 0.74 -0.69 0.00 0.00 178.15 177.86 1jwd h THR 75 N 0.14 0.57 -0.39 -0.27 2.02 -0.64 0.15 112.91 114.50 1jwd h THR 75 Ca 0.08 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 1jwd h THR 75 Cb 0.06 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1jwd h THR 75 CO -0.09 0.00 0.22 0.15 0.37 0.00 0.00 175.52 176.17 1jwd h PHE 76 N -0.05 0.52 -0.73 3.16 3.04 -0.34 0.07 116.94 122.62 1jwd h PHE 76 Ca 0.18 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.18 1jwd h PHE 76 Cb 0.32 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.61 1jwd h PHE 76 CO -0.35 0.38 0.48 -0.07 -2.02 0.00 0.00 178.31 176.73 1jwd h LEU 77 N 0.50 0.67 -0.22 0.59 3.38 -0.11 0.30 115.31 120.41 1jwd h LEU 77 Ca 0.14 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1jwd h LEU 77 Cb 0.02 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1jwd h LEU 77 CO -0.02 0.44 -0.05 1.23 0.09 0.00 0.00 178.44 180.13 1jwd h GLY 78 N 0.76 0.17 0.92 0.83 0.00 0.44 0.11 103.07 106.32 1jwd h GLY 78 Ca 0.31 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.72 1jwd h GLY 78 CO -0.10 -0.08 0.35 0.00 0.00 0.00 0.00 176.54 176.71 1jwd h ALA 79 N 1.22 0.72 -0.20 3.60 0.00 0.90 0.15 119.26 125.64 1jwd h ALA 79 Ca 0.11 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1jwd h ALA 79 Cb 0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1jwd h ALA 79 CO -0.22 0.10 -0.04 1.25 0.00 0.00 0.00 179.25 180.33 1jwd h LEU 80 N 0.71 -0.17 -0.63 0.00 5.85 -0.15 0.17 115.31 121.09 1jwd h LEU 80 Ca 0.22 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.02 1jwd h LEU 80 Cb -0.02 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1jwd h LEU 80 CO -0.08 -0.06 0.40 0.00 -0.34 0.00 0.00 178.44 178.36 1jwd h ALA 81 N 1.20 0.82 -0.54 1.25 0.00 -0.49 0.00 119.26 121.50 1jwd h ALA 81 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jwd h ALA 81 Cb 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1jwd h ALA 81 CO -0.20 0.16 0.36 1.98 0.00 0.00 0.00 179.25 181.55 1jwd h MET 82 N 0.79 0.72 -1.00 0.00 1.85 0.09 -1.57 114.93 115.81 1jwd h MET 82 Ca 0.25 -0.05 0.04 0.00 -0.61 0.00 0.00 59.70 59.33 1jwd h MET 82 Cb -0.01 -0.16 -0.06 0.00 0.43 0.00 0.00 31.60 31.80 1jwd h MET 82 CO -0.09 0.48 0.65 0.82 -0.40 0.00 0.00 176.91 178.37 1jwd h ILE 83 N 0.73 1.17 0.00 1.77 2.04 -0.22 -2.93 117.51 120.07 1jwd h ILE 83 Ca 0.20 -0.43 -0.31 0.00 1.00 0.00 0.00 64.86 65.32 1jwd h ILE 83 Cb -0.08 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 35.80 1jwd h ILE 83 CO -0.04 0.23 1.76 -1.22 0.00 0.00 0.00 178.15 178.87 1jwd n TYR 84 N -4.45 0.96 -0.33 1.37 4.01 -0.05 -4.66 117.16 114.01 1jwd n TYR 84 Ca 0.14 -1.69 0.18 0.00 -0.16 0.00 0.00 57.90 56.36 1jwd n TYR 84 Cb 0.10 -1.56 0.36 0.00 -0.31 0.00 0.00 39.34 37.93 1jwd n TYR 84 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 1jwd h ASN 85 N 5.39 -0.19 -0.60 7.72 -1.24 -1.63 0.27 115.58 125.29 1jwd h ASN 85 Ca 0.39 0.26 0.09 0.00 0.71 0.00 0.00 56.30 57.75 1jwd h ASN 85 Cb 0.46 0.39 -0.07 0.00 0.73 0.00 0.00 38.32 39.83 1jwd h ASN 85 CO 1.07 -0.33 0.24 -0.33 -1.29 0.00 0.00 177.43 176.79 1jwd h GLU 86 N 0.05 0.42 -0.58 6.67 4.39 -1.91 0.63 114.58 124.25 1jwd h GLU 86 Ca 0.64 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 60.28 1jwd h GLU 86 Cb 1.43 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.96 1jwd h GLU 86 CO -0.83 0.28 0.19 0.00 -1.16 0.00 0.00 179.01 177.49 1jwd h ALA 87 N 1.40 0.76 -0.24 3.43 0.00 -0.78 0.12 119.26 123.95 1jwd h ALA 87 Ca 0.30 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1jwd h ALA 87 Cb 0.35 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1jwd h ALA 87 CO -0.29 0.41 -0.13 -0.07 0.00 0.00 0.00 179.25 179.17 1jwd h LEU 88 N 0.81 -0.44 -0.60 0.00 3.38 -0.40 -2.57 115.31 115.50 1jwd h LEU 88 Ca 0.19 0.10 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 1jwd h LEU 88 Cb 0.27 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1jwd h LEU 88 CO -0.01 -0.17 -0.08 0.11 0.09 0.00 0.00 178.44 178.39 1jwd h LYS 89 N -0.11 1.03 0.00 1.13 1.79 -0.69 -3.51 116.57 116.21 1jwd h LYS 89 Ca 0.13 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1jwd h LYS 89 Cb 0.31 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1jwd h LYS 89 CO -0.31 1.05 0.00 0.41 -1.08 0.00 0.00 179.45 179.53