#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 -0.38 3.04 0.00 -1.26 -4.47 120.51 117.44 1jwd n ALA 2 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jwd n ALA 2 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1jwd n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jwd n SER 3 N 1.53 -0.60 0.09 0.00 7.64 -1.26 -0.88 113.62 120.13 1jwd n SER 3 Ca 0.00 1.73 -0.12 0.00 1.01 0.00 0.00 58.87 61.49 1jwd n SER 3 Cb 0.00 -0.41 -0.05 0.00 -1.01 0.00 0.00 64.21 62.73 1jwd n SER 3 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1jwd h PRO 4 N 0.00 -0.36 -0.19 1.43 0.11 -2.01 0.10 132.00 131.09 1jwd h PRO 4 Ca 0.36 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.41 1jwd h PRO 4 Cb 0.61 0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 1jwd h PRO 4 CO -0.99 -0.24 -0.21 1.25 -0.21 0.00 0.00 178.00 177.60 1jwd h LEU 5 N -0.37 0.51 -0.47 2.35 5.85 -1.86 -3.09 115.31 118.23 1jwd h LEU 5 Ca 0.04 -0.49 0.08 0.00 0.84 0.00 0.00 57.88 58.35 1jwd h LEU 5 Cb 0.41 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 1jwd h LEU 5 CO -0.15 0.90 0.08 0.44 -0.34 0.00 0.00 178.44 179.37 1jwd h ASP 6 N 0.13 -0.04 -0.73 1.25 3.32 -0.68 0.28 116.42 119.95 1jwd h ASP 6 Ca 0.03 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1jwd h ASP 6 Cb 0.77 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 1jwd h ASP 6 CO 0.05 0.01 0.32 0.06 -1.72 0.00 0.00 179.24 177.97 1jwd h GLN 7 N 0.21 1.09 0.30 3.56 3.07 -0.87 0.21 115.11 122.67 1jwd h GLN 7 Ca 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 58.65 58.79 1jwd h GLN 7 Cb 0.32 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 27.69 1jwd h GLN 7 CO -0.32 0.87 -0.15 0.00 0.09 0.00 0.00 178.83 179.32 1jwd h ALA 8 N 1.28 -0.41 -0.83 0.06 0.00 -1.06 0.25 119.26 118.55 1jwd h ALA 8 Ca 0.25 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1jwd h ALA 8 Cb 0.16 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1jwd h ALA 8 CO -0.03 -0.58 0.52 -0.84 0.00 0.00 0.00 179.25 178.33 1jwd h ILE 9 N -0.71 1.08 -0.88 0.00 3.07 -0.98 -0.08 117.51 119.01 1jwd h ILE 9 Ca -0.04 -0.34 0.23 0.00 1.55 0.00 0.00 64.86 66.26 1jwd h ILE 9 Cb 0.49 0.01 -0.14 0.00 -0.27 0.00 0.00 36.82 36.91 1jwd h ILE 9 CO 0.07 0.18 0.27 1.23 -1.05 0.00 0.00 178.15 178.85 1jwd h GLY 10 N 0.98 1.40 0.88 0.16 0.00 -0.37 -0.05 103.07 106.08 1jwd h GLY 10 Ca 0.35 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 1jwd h GLY 10 CO -0.14 -0.35 -0.47 -2.00 0.00 0.00 0.00 176.54 173.57 1jwd h LEU 11 N 0.24 -1.16 -0.56 3.11 7.12 0.14 0.23 115.31 124.44 1jwd h LEU 11 Ca 0.56 0.05 0.10 0.00 0.13 0.00 0.00 57.88 58.72 1jwd h LEU 11 Cb 1.11 0.32 -0.08 0.00 -0.53 0.00 0.00 40.66 41.48 1jwd h LEU 11 CO -0.63 -0.77 0.09 -0.07 -0.13 0.00 0.00 178.44 176.94 1jwd h LEU 12 N -1.24 -0.05 0.46 2.25 4.07 -1.11 0.77 115.31 120.45 1jwd h LEU 12 Ca -0.12 0.11 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1jwd h LEU 12 Cb 0.97 0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1jwd h LEU 12 CO 0.16 -0.01 -0.22 0.40 -1.08 0.00 0.00 178.44 177.69 1jwd h ILE 13 N 0.22 0.55 -0.06 1.22 2.04 -0.93 -1.01 117.51 119.55 1jwd h ILE 13 Ca 0.29 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 66.17 1jwd h ILE 13 Cb 0.42 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 1jwd h ILE 13 CO -0.39 0.00 -0.32 1.23 0.00 0.00 0.00 178.15 178.67 1jwd h GLY 14 N -0.62 -0.50 0.09 5.37 0.00 -0.01 0.67 103.07 108.06 1jwd h GLY 14 Ca -0.06 0.39 0.06 0.00 0.00 0.00 0.00 47.33 47.72 1jwd h GLY 14 CO 0.10 -0.23 -0.31 -2.22 0.00 0.00 0.00 176.54 173.88 1jwd h ILE 15 N -0.44 0.29 0.62 2.60 2.04 -0.80 0.13 117.51 121.94 1jwd h ILE 15 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1jwd h ILE 15 Cb 0.56 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1jwd h ILE 15 CO -0.30 0.00 -0.43 0.15 0.00 0.00 0.00 178.15 177.57 1jwd h PHE 16 N -0.35 -1.14 -0.05 1.37 3.04 -0.53 -1.15 116.94 118.13 1jwd h PHE 16 Ca 0.12 -0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.94 1jwd h PHE 16 Cb 0.53 0.42 -0.01 0.00 2.56 0.00 0.00 35.95 39.45 1jwd h PHE 16 CO -0.43 -0.63 -0.53 1.25 -2.02 0.00 0.00 178.31 175.95 1jwd h HIS 17 N -1.00 0.17 0.00 0.41 2.76 -0.75 0.88 115.15 117.62 1jwd h HIS 17 Ca -0.08 -0.06 0.01 0.00 -2.20 0.00 0.00 60.37 58.04 1jwd h HIS 17 Cb 0.83 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 1jwd h HIS 17 CO -0.14 0.64 -0.04 -0.22 -1.30 0.00 0.00 177.93 176.88 1jwd h LYS 18 N 0.11 -0.07 -0.37 5.26 3.11 -0.63 0.29 116.57 124.27 1jwd h LYS 18 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1jwd h LYS 18 Cb 0.97 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.20 1jwd h LYS 18 CO 0.08 -0.04 0.24 1.88 -2.81 0.00 0.00 179.45 178.79 1jwd h TYR 19 N -0.07 0.48 -0.72 1.91 0.05 -0.75 -1.66 116.97 116.22 1jwd h TYR 19 Ca 0.02 0.01 0.13 0.00 0.05 0.00 0.00 58.73 58.94 1jwd h TYR 19 Cb 0.09 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 37.62 1jwd h TYR 19 CO -0.11 0.32 0.48 1.03 -1.05 0.00 0.00 178.16 178.83 1jwd h SER 20 N 0.50 0.40 -1.13 3.88 0.87 -0.44 -0.06 113.55 117.57 1jwd h SER 20 Ca 0.14 0.02 0.40 0.00 -1.23 0.00 0.00 61.79 61.12 1jwd h SER 20 Cb -0.03 -0.06 -0.15 0.00 -0.44 0.00 0.00 62.40 61.71 1jwd h SER 20 CO -0.03 0.22 0.67 1.23 -0.53 0.00 0.00 176.83 178.39 1jwd h GLY 21 N 0.43 1.84 1.33 5.77 0.00 0.58 0.26 103.07 113.29 1jwd h GLY 21 Ca 0.35 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 1jwd h GLY 21 CO -0.11 -0.57 0.03 1.70 0.00 0.00 0.00 176.54 177.59 1jwd h LYS 22 N 0.11 0.82 0.04 4.80 3.64 -1.06 -3.33 116.57 121.59 1jwd h LYS 22 Ca 0.81 -0.21 -0.35 0.00 -1.27 0.00 0.00 60.65 59.63 1jwd h LYS 22 Cb 2.25 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.92 1jwd h LYS 22 CO -0.59 0.80 -2.00 -0.85 -2.27 0.00 0.00 179.45 174.54 1jwd n GLU 23 N -4.23 0.65 0.00 1.90 0.28 0.31 -4.96 120.64 114.59 1jwd n GLU 23 Ca 0.03 0.33 0.00 0.00 -0.16 0.00 0.00 57.16 57.36 1jwd n GLU 23 Cb 0.28 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 31.52 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 1.72 0.00 3.73 -1.84 0.00 0.64 -5.07 105.19 104.37 1jwd n GLY 24 Ca -0.40 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 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 -5.13 -3.84 1.61 2.03 0.21 -4.88 116.55 106.55 1jwd n ASP 25 Ca 0.00 -0.89 -0.11 0.00 0.52 0.00 0.00 54.79 54.31 1jwd n ASP 25 Cb 0.00 -2.06 -0.06 0.00 -0.72 0.00 0.00 41.12 38.28 1jwd n ASP 25 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1jwd s LYS 26 N -4.82 1.56 0.00 -0.67 -2.85 -1.26 -4.90 119.74 106.80 1jwd s LYS 26 Ca 0.02 -1.49 0.00 0.00 -1.00 0.00 0.00 55.97 53.50 1jwd s LYS 26 Cb -0.01 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 1jwd s LYS 26 CO 0.88 -0.62 1.53 0.72 0.10 0.00 0.00 175.35 177.96 1jwd n HIS 27 N -0.41 0.00 -3.77 1.78 8.25 -1.26 -4.69 115.22 115.12 1jwd n HIS 27 Ca 0.00 -0.77 -0.13 0.00 -0.26 0.00 0.00 57.72 56.57 1jwd n HIS 27 Cb 0.63 -0.40 -0.11 0.00 1.12 0.00 0.00 29.99 31.22 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 0.18 -0.00 -0.03 1.59 -4.23 -1.26 -1.06 115.64 110.82 1jwd s THR 28 Ca 0.00 0.02 0.05 0.00 -1.18 0.00 0.00 61.69 60.58 1jwd s THR 28 Cb 0.00 -0.39 -0.02 0.00 1.34 0.00 0.00 72.50 73.43 1jwd s THR 28 CO 0.00 0.01 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.14 1jwd s LEU 29 N 0.27 2.47 0.54 4.79 1.43 0.06 -4.71 118.68 123.53 1jwd s LEU 29 Ca -0.01 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.62 1jwd s LEU 29 Cb -0.03 -1.47 -0.07 0.00 0.03 0.00 0.00 46.19 44.65 1jwd s LEU 29 CO -0.01 0.33 1.01 -0.55 0.23 0.00 0.00 176.35 177.36 1jwd s SER 30 N -0.72 6.37 0.27 2.29 0.15 -1.26 -0.11 113.70 120.69 1jwd s SER 30 Ca 0.11 1.65 0.00 0.00 0.70 0.00 0.00 55.95 58.41 1jwd s SER 30 Cb -0.10 -2.52 0.55 0.00 -1.71 0.00 0.00 66.02 62.23 1jwd s SER 30 CO 0.00 -0.76 1.79 0.07 1.20 0.00 0.00 173.24 175.54 1jwd h LYS 31 N 0.80 0.74 -0.07 5.44 2.10 -1.30 0.24 116.57 124.52 1jwd h LYS 31 Ca -0.47 -0.04 -0.13 0.00 -2.00 0.00 0.00 60.65 58.01 1jwd h LYS 31 Cb 1.20 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 32.34 1jwd h LYS 31 CO 0.60 0.49 -0.54 -0.22 -2.00 0.00 0.00 179.45 177.78 1jwd h LYS 32 N 0.77 0.21 -0.49 0.07 3.64 -1.93 -0.32 116.57 118.52 1jwd h LYS 32 Ca 0.48 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1jwd h LYS 32 Cb 0.60 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1jwd h LYS 32 CO -0.32 0.70 0.17 1.49 -2.27 0.00 0.00 179.45 179.22 1jwd h GLU 33 N 0.16 0.74 -0.32 1.90 4.57 -1.02 0.15 114.58 120.77 1jwd h GLU 33 Ca 0.00 -0.15 0.06 0.00 -1.18 0.00 0.00 59.36 58.09 1jwd h GLU 33 Cb 1.01 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.43 1jwd h GLU 33 CO 0.08 0.68 -0.01 1.25 -1.18 0.00 0.00 179.01 179.83 1jwd h LEU 34 N 0.65 -0.15 -0.34 1.64 7.12 -0.57 0.15 115.31 123.81 1jwd h LEU 34 Ca 0.16 0.08 0.07 0.00 0.13 0.00 0.00 57.88 58.32 1jwd h LEU 34 Cb 0.23 0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 40.43 1jwd h LEU 34 CO -0.01 -0.04 -0.11 0.50 -0.13 0.00 0.00 178.44 178.65 1jwd h LYS 35 N 0.08 -0.04 -0.99 1.25 3.64 -0.42 0.62 116.57 120.71 1jwd h LYS 35 Ca 0.15 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1jwd h LYS 35 Cb 0.21 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.97 1jwd h LYS 35 CO -0.27 -0.03 0.64 1.49 -2.27 0.00 0.00 179.45 179.02 1jwd h GLU 36 N -0.04 1.07 0.42 1.90 4.57 -0.29 0.12 114.58 122.33 1jwd h GLU 36 Ca 0.17 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1jwd h GLU 36 Cb 0.30 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1jwd h GLU 36 CO -0.37 0.71 -0.32 1.25 -1.18 0.00 0.00 179.01 179.09 1jwd h LEU 37 N 1.11 -0.85 -0.72 1.64 6.46 0.18 -2.95 115.31 120.18 1jwd h LEU 37 Ca 0.45 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 58.33 1jwd h LEU 37 Cb 0.27 0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.41 1jwd h LEU 37 CO -0.20 -0.48 0.42 0.40 -0.62 0.00 0.00 178.44 177.96 1jwd h ILE 38 N -0.74 0.99 -0.40 4.05 2.04 0.23 0.14 117.51 123.83 1jwd h ILE 38 Ca -0.04 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 65.63 1jwd h ILE 38 Cb 0.64 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 1jwd h ILE 38 CO -0.00 0.14 0.02 1.56 0.00 0.00 0.00 178.15 179.87 1jwd h GLN 39 N 0.77 0.13 0.20 2.37 1.08 -0.71 0.53 115.11 119.47 1jwd h GLN 39 Ca 0.32 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.50 1jwd h GLN 39 Cb 0.18 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1jwd h GLN 39 CO -0.18 0.08 -0.10 -0.22 -0.95 0.00 0.00 178.83 177.47 1jwd h LYS 40 N 0.13 -0.27 -0.42 1.46 3.64 -1.30 -0.51 116.57 119.31 1jwd h LYS 40 Ca 0.20 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1jwd h LYS 40 Cb 0.27 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1jwd h LYS 40 CO -0.31 -0.10 -0.18 0.93 -2.27 0.00 0.00 179.45 177.52 1jwd h GLU 41 N -1.05 0.80 -0.23 1.90 4.39 -0.62 0.18 114.58 119.95 1jwd h GLU 41 Ca -0.03 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1jwd h GLU 41 Cb 0.28 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1jwd h GLU 41 CO 0.05 0.92 0.00 1.28 -1.16 0.00 0.00 179.01 180.10 1jwd n LEU 42 N -4.13 1.73 -3.71 1.33 4.32 0.17 -4.97 117.00 111.74 1jwd n LEU 42 Ca 0.01 -0.78 -0.29 0.00 -0.02 0.00 0.00 56.01 54.93 1jwd n LEU 42 Cb 0.41 -0.15 0.02 0.00 -1.62 0.00 0.00 43.42 42.09 1jwd n LEU 42 CO 0.44 0.39 -0.08 0.35 -1.22 0.00 0.00 177.39 177.27 1jwd n THR 43 N 0.39 -5.22 -0.06 -5.08 -2.24 0.05 -4.86 114.28 97.26 1jwd n THR 43 Ca 0.15 -0.58 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 1jwd n THR 43 Cb 0.32 -3.96 -0.10 0.00 -2.10 0.00 0.00 70.33 64.49 1jwd n THR 43 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1jwd h ILE 44 N -1.36 0.00 0.00 2.28 6.09 -1.28 -3.45 117.51 119.79 1jwd h ILE 44 Ca -0.59 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 1jwd h ILE 44 Cb 1.33 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.62 1jwd h ILE 44 CO 0.44 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 176.13 1jwd n GLY 45 N -1.40 0.51 2.90 8.18 0.00 -1.26 -4.64 105.19 109.48 1jwd n GLY 45 Ca -0.05 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1jwd n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jwd n SER 46 N 1.50 3.32 -0.04 1.61 3.41 -1.26 -4.76 113.62 117.40 1jwd n SER 46 Ca 0.00 -2.74 0.25 0.00 -0.26 0.00 0.00 58.87 56.12 1jwd n SER 46 Cb 0.00 -1.37 0.68 0.00 -0.26 0.00 0.00 64.21 63.27 1jwd n SER 46 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1jwd h LYS 47 N 6.94 0.00 -1.07 4.33 1.79 -2.00 0.59 116.57 127.14 1jwd h LYS 47 Ca 0.50 0.00 0.29 0.00 -2.18 0.00 0.00 60.65 59.26 1jwd h LYS 47 Cb 0.63 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.20 1jwd h LYS 47 CO 1.91 0.00 0.70 -0.07 -1.08 0.00 0.00 179.45 180.92 1jwd h LEU 48 N 0.00 0.36 0.00 2.94 -0.00 -1.98 0.11 115.31 116.74 1jwd h LEU 48 Ca 0.32 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 58.27 1jwd h LEU 48 Cb 1.67 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.35 1jwd h LEU 48 CO -0.00 0.06 0.00 0.00 -0.00 0.00 0.00 178.44 178.49 1jwd n GLN 49 N -4.56 0.66 -0.34 1.13 6.02 0.20 -4.07 117.38 116.41 1jwd n GLN 49 Ca 0.26 0.00 0.22 0.00 -0.01 0.00 0.00 57.00 57.46 1jwd n GLN 49 Cb 0.96 -1.32 0.46 0.00 1.02 0.00 0.00 30.24 31.36 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 0.55 -0.51 1.08 3.58 -0.97 0.28 116.42 120.43 1jwd h ASP 50 Ca 0.00 0.13 0.10 0.00 0.42 0.00 0.00 57.03 57.68 1jwd h ASP 50 Cb 0.00 0.05 -0.09 0.00 1.72 0.00 0.00 39.33 41.01 1jwd h ASP 50 CO 0.00 0.03 -0.08 0.00 -2.88 0.00 0.00 179.24 176.31 1jwd h ALA 51 N 1.72 0.39 -0.52 -0.78 0.00 -1.84 0.27 119.26 118.50 1jwd h ALA 51 Ca 0.66 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.72 1jwd h ALA 51 Cb 1.48 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1jwd h ALA 51 CO -0.45 -0.43 0.18 0.93 0.00 0.00 0.00 179.25 179.48 1jwd h GLU 52 N 0.04 0.80 -0.55 0.00 5.08 -0.81 -1.13 114.58 118.01 1jwd h GLU 52 Ca 0.25 -0.17 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1jwd h GLU 52 Cb 0.38 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1jwd h GLU 52 CO -0.49 0.73 0.25 0.82 -1.00 0.00 0.00 179.01 179.32 1jwd h ILE 53 N 0.71 0.90 -0.06 3.13 1.08 -0.28 0.40 117.51 123.39 1jwd h ILE 53 Ca 0.17 -0.16 -0.15 0.00 -0.39 0.00 0.00 64.86 64.33 1jwd h ILE 53 Cb 0.25 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.37 1jwd h ILE 53 CO -0.01 0.09 -0.62 -0.37 -0.69 0.00 0.00 178.15 176.55 1jwd h VAL 54 N 0.48 1.40 0.31 1.67 -1.51 -0.20 0.39 116.25 118.78 1jwd h VAL 54 Ca 0.25 -2.04 -0.01 0.00 -1.23 0.00 0.00 66.70 63.68 1jwd h VAL 54 Cb 0.21 2.05 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 1jwd h VAL 54 CO -0.21 0.60 -0.21 0.50 -1.23 0.00 0.00 177.57 177.02 1jwd h LYS 55 N 0.15 -0.49 -0.75 5.19 1.63 -0.79 0.15 116.57 121.67 1jwd h LYS 55 Ca -0.01 0.03 0.10 0.00 -0.85 0.00 0.00 60.65 59.92 1jwd h LYS 55 Cb 1.13 0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 32.80 1jwd h LYS 55 CO 0.09 -0.33 0.39 1.25 -3.45 0.00 0.00 179.45 177.41 1jwd h LEU 56 N -0.51 0.52 -0.30 5.20 6.46 -0.69 0.17 115.31 126.16 1jwd h LEU 56 Ca -0.03 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1jwd h LEU 56 Cb 0.43 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1jwd h LEU 56 CO 0.01 0.30 0.18 -0.03 -0.62 0.00 0.00 178.44 178.28 1jwd h MET 57 N 0.65 0.35 -0.33 1.25 4.05 0.01 0.59 114.93 121.51 1jwd h MET 57 Ca 0.37 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.81 1jwd h MET 57 Cb 0.38 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.05 1jwd h MET 57 CO -0.27 0.23 0.06 0.22 0.23 0.00 0.00 176.91 177.39 1jwd h ASP 58 N 0.36 0.01 -0.36 1.39 1.82 0.28 0.28 116.42 120.20 1jwd h ASP 58 Ca 0.12 0.05 0.03 0.00 -0.39 0.00 0.00 57.03 56.84 1jwd h ASP 58 Cb -0.00 0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.05 1jwd h ASP 58 CO -0.06 0.04 0.17 0.44 -1.61 0.00 0.00 179.24 178.23 1jwd h ASP 59 N 0.18 0.24 0.38 2.28 3.32 -0.32 0.26 116.42 122.76 1jwd h ASP 59 Ca 0.15 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1jwd h ASP 59 Cb 0.17 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1jwd h ASP 59 CO -0.20 0.18 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.15 1jwd h LEU 60 N 0.35 -0.71 -2.39 1.55 3.38 -0.58 -3.25 115.31 113.67 1jwd h LEU 60 Ca 0.15 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1jwd h LEU 60 Cb 0.07 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jwd h LEU 60 CO -0.11 -0.40 0.00 -2.24 0.09 0.00 0.00 178.44 175.78 1jwd h ASP 61 N -0.63 0.00 -0.99 -0.43 3.04 -0.19 -2.85 116.42 114.38 1jwd h ASP 61 Ca -0.05 0.00 0.34 0.00 -3.24 0.00 0.00 57.03 54.08 1jwd h ASP 61 Cb 0.51 0.00 -0.16 0.00 -1.04 0.00 0.00 39.33 38.65 1jwd h ASP 61 CO 0.03 0.00 0.49 -0.09 -2.04 0.00 0.00 179.24 177.63 1jwd h ARG 62 N 0.00 0.20 -1.00 4.15 9.65 -0.52 0.25 114.38 127.11 1jwd h ARG 62 Ca 0.00 -0.01 0.33 0.00 -1.10 0.00 0.00 59.98 59.19 1jwd h ARG 62 Cb 0.14 -0.04 -0.15 0.00 -1.39 0.00 0.00 29.97 28.52 1jwd h ARG 62 CO 0.00 0.13 0.56 -2.95 2.80 0.00 0.00 179.97 180.51 1jwd h ASN 63 N 0.20 0.48 0.00 -3.80 7.08 -1.72 -3.31 115.58 114.52 1jwd h ASN 63 Ca 0.74 0.20 -0.22 0.00 -3.08 0.00 0.00 56.30 53.93 1jwd h ASN 63 Cb 1.74 0.15 -0.14 0.00 -2.08 0.00 0.00 38.32 37.99 1jwd h ASN 63 CO -0.68 -0.16 -0.41 1.17 -2.08 0.00 0.00 177.43 175.27 1jwd n LYS 64 N -5.07 0.90 0.00 4.14 4.81 0.56 -5.03 118.16 118.46 1jwd n LYS 64 Ca 0.32 -1.79 0.00 0.00 -0.87 0.00 0.00 58.31 55.97 1jwd n LYS 64 Cb 1.00 -1.05 0.00 0.00 0.02 0.00 0.00 35.03 35.00 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 0.65 0.00 0.04 3.14 5.75 0.56 -0.61 116.55 126.08 1jwd n ASP 65 Ca 0.06 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.97 1jwd n ASP 65 Cb 0.69 0.00 0.54 0.00 -1.03 0.00 0.00 41.12 41.32 1jwd n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jwd n GLN 66 N 0.00 0.09 -3.96 0.11 3.00 -1.26 -4.64 117.38 110.73 1jwd n GLN 66 Ca 0.00 0.08 -0.10 0.00 -0.01 0.00 0.00 57.00 56.97 1jwd n GLN 66 Cb 0.00 -1.61 -0.06 0.00 0.00 0.00 0.00 30.24 28.57 1jwd n GLN 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1jwd s GLU 67 N -3.04 1.29 -0.22 -1.09 -1.05 0.22 -0.83 118.70 113.99 1jwd s GLU 67 Ca 0.13 -1.18 0.02 0.00 -0.15 0.00 0.00 54.97 53.78 1jwd s GLU 67 Cb 0.17 0.41 0.04 0.00 -0.44 0.00 0.00 34.13 34.31 1jwd s GLU 67 CO 0.56 -0.50 -0.16 0.08 0.95 0.00 0.00 175.26 176.19 1jwd s VAL 68 N -3.98 2.12 0.39 1.83 1.01 0.84 -3.61 120.40 119.01 1jwd s VAL 68 Ca 0.19 -1.24 -0.23 0.00 0.00 0.00 0.00 61.98 60.70 1jwd s VAL 68 Cb 0.02 -2.05 -0.10 0.00 0.00 0.00 0.00 36.38 34.25 1jwd s VAL 68 CO 0.03 0.29 0.97 0.21 0.00 0.00 0.00 175.10 176.60 1jwd s ASN 69 N 1.21 7.00 0.20 3.32 3.84 -1.26 -0.76 114.94 128.48 1jwd s ASN 69 Ca -0.01 1.82 -0.21 0.00 0.21 0.00 0.00 52.86 54.67 1jwd s ASN 69 Cb -0.16 -2.56 0.14 0.00 -0.55 0.00 0.00 41.25 38.12 1jwd s ASN 69 CO -0.09 -0.31 1.57 0.15 -2.79 0.00 0.00 177.10 175.62 1jwd h PHE 70 N 2.42 -1.05 -0.87 0.43 3.57 -1.47 0.14 116.94 120.12 1jwd h PHE 70 Ca -0.48 0.08 0.12 0.00 3.53 0.00 0.00 57.97 61.23 1jwd h PHE 70 Cb 1.19 0.56 -0.08 0.00 2.79 0.00 0.00 35.95 40.41 1jwd h PHE 70 CO 0.61 -0.39 0.49 0.37 -2.23 0.00 0.00 178.31 177.15 1jwd h GLN 71 N -0.12 0.74 -0.21 1.11 5.75 -1.94 -0.55 115.11 119.89 1jwd h GLN 71 Ca 0.26 -0.04 -0.21 0.00 -0.15 0.00 0.00 58.65 58.50 1jwd h GLN 71 Cb 0.56 -0.17 0.01 0.00 1.07 0.00 0.00 27.48 28.95 1jwd h GLN 71 CO -0.78 0.49 -0.68 0.93 -2.65 0.00 0.00 178.83 176.14 1jwd h GLU 72 N 0.76 0.82 -0.16 1.69 4.39 -1.25 0.15 114.58 120.98 1jwd h GLU 72 Ca 0.44 -0.60 0.05 0.00 0.34 0.00 0.00 59.36 59.59 1jwd h GLU 72 Cb 0.51 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.21 1jwd h GLU 72 CO -0.30 1.22 -0.21 -0.92 -1.16 0.00 0.00 179.01 177.64 1jwd h TYR 73 N 0.59 -0.54 -0.03 4.33 3.20 -0.20 0.15 116.97 124.46 1jwd h TYR 73 Ca -0.02 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1jwd h TYR 73 Cb 1.30 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.82 1jwd h TYR 73 CO 0.08 -0.29 -0.06 0.82 -1.64 0.00 0.00 178.16 177.08 1jwd h ILE 74 N -0.25 0.84 -0.60 1.81 1.08 -0.88 0.67 117.51 120.18 1jwd h ILE 74 Ca 0.11 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.70 1jwd h ILE 74 Cb 0.41 0.84 -0.10 0.00 -3.07 0.00 0.00 36.82 34.90 1jwd h ILE 74 CO -0.30 0.00 0.02 0.74 -0.69 0.00 0.00 178.15 177.92 1jwd h THR 75 N -0.09 0.52 -0.35 -0.27 2.02 -0.62 0.50 112.91 114.62 1jwd h THR 75 Ca 0.04 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1jwd h THR 75 Cb 0.14 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1jwd h THR 75 CO -0.08 0.03 -0.03 0.15 0.37 0.00 0.00 175.52 175.95 1jwd h PHE 76 N 0.14 0.70 -0.81 3.16 3.57 -0.30 -1.12 116.94 122.27 1jwd h PHE 76 Ca 0.32 -0.13 0.11 0.00 3.53 0.00 0.00 57.97 61.79 1jwd h PHE 76 Cb 0.50 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 1jwd h PHE 76 CO -0.34 0.76 0.53 -0.07 -2.23 0.00 0.00 178.31 176.96 1jwd h LEU 77 N 0.44 0.64 0.04 0.59 3.38 0.05 0.31 115.31 120.76 1jwd h LEU 77 Ca 0.10 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1jwd h LEU 77 Cb 0.50 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1jwd h LEU 77 CO 0.02 0.36 -0.21 1.23 0.09 0.00 0.00 178.44 179.93 1jwd h GLY 78 N 0.70 -0.34 0.29 0.83 0.00 -0.33 0.65 103.07 104.86 1jwd h GLY 78 Ca 0.38 0.25 0.10 0.00 0.00 0.00 0.00 47.33 48.07 1jwd h GLY 78 CO -0.15 -0.19 0.14 0.00 0.00 0.00 0.00 176.54 176.33 1jwd h ALA 79 N 0.48 0.67 -0.52 3.60 0.00 0.34 0.07 119.26 123.89 1jwd h ALA 79 Ca 0.05 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1jwd h ALA 79 Cb 0.42 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1jwd h ALA 79 CO -0.17 -0.28 0.28 1.25 0.00 0.00 0.00 179.25 180.33 1jwd h LEU 80 N 0.28 0.42 -0.47 0.00 5.85 -0.04 0.20 115.31 121.54 1jwd h LEU 80 Ca 0.29 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1jwd h LEU 80 Cb 0.40 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1jwd h LEU 80 CO -0.35 0.29 0.28 0.00 -0.34 0.00 0.00 178.44 178.32 1jwd h ALA 81 N 1.26 0.60 -0.42 1.25 0.00 -0.27 0.17 119.26 121.86 1jwd h ALA 81 Ca 0.22 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1jwd h ALA 81 Cb 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1jwd h ALA 81 CO -0.14 0.09 0.18 1.98 0.00 0.00 0.00 179.25 181.37 1jwd h MET 82 N 0.63 0.36 -0.49 0.00 1.85 -0.07 -0.91 114.93 116.30 1jwd h MET 82 Ca 0.17 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.20 1jwd h MET 82 Cb -0.00 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 31.93 1jwd h MET 82 CO -0.03 0.24 0.16 0.82 -0.40 0.00 0.00 176.91 177.69 1jwd h ILE 83 N 0.37 1.23 -0.20 1.77 2.04 -0.29 -2.38 117.51 120.04 1jwd h ILE 83 Ca 0.19 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 65.36 1jwd h ILE 83 Cb 0.14 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 1jwd h ILE 83 CO -0.16 0.27 -0.32 1.88 0.00 0.00 0.00 178.15 179.82 1jwd h TYR 84 N 0.65 -0.88 0.00 1.37 -1.99 -0.36 -3.44 116.97 112.32 1jwd h TYR 84 Ca 0.16 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.93 1jwd h TYR 84 Cb 0.26 0.42 0.00 0.00 2.00 0.00 0.00 36.73 39.41 1jwd h TYR 84 CO 0.01 -0.39 0.00 -1.71 -0.00 0.00 0.00 178.16 176.07 1jwd n ASN 85 N -5.41 0.00 -0.31 3.88 2.85 -0.37 -4.32 115.26 111.58 1jwd n ASN 85 Ca -0.02 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.57 1jwd n ASN 85 Cb 0.33 0.00 0.29 0.00 1.24 0.00 0.00 39.78 41.63 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 0.53 -0.77 1.20 4.39 -1.87 0.38 114.58 118.43 1jwd h GLU 86 Ca 0.00 -0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.81 1jwd h GLU 86 Cb 0.00 -0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 28.43 1jwd h GLU 86 CO 0.00 0.35 0.32 0.00 -1.16 0.00 0.00 179.01 178.52 1jwd h ALA 87 N 1.65 1.11 -0.09 3.43 0.00 -1.88 0.13 119.26 123.62 1jwd h ALA 87 Ca 0.54 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 1jwd h ALA 87 Cb 0.92 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1jwd h ALA 87 CO -0.45 -0.20 0.01 -0.07 0.00 0.00 0.00 179.25 178.54 1jwd h LEU 88 N 0.46 0.14 -0.75 0.00 3.38 -0.59 -3.06 115.31 114.89 1jwd h LEU 88 Ca 0.43 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1jwd h LEU 88 Cb 0.65 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 1jwd h LEU 88 CO -0.41 0.38 0.36 0.11 0.09 0.00 0.00 178.44 178.98 1jwd h LYS 89 N -0.10 0.57 0.00 1.13 1.57 -0.15 -3.52 116.57 116.07 1jwd h LYS 89 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1jwd h LYS 89 Cb 0.30 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1jwd h LYS 89 CO 0.00 0.37 0.00 0.41 -0.57 0.00 0.00 179.45 179.67