#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 -0.01 -0.87 3.04 0.00 -2.05 -3.39 119.26 115.98 1jwd h ALA 2 Ca 0.00 -0.98 0.16 0.00 0.00 0.00 0.00 54.91 54.10 1jwd h ALA 2 Cb 0.00 0.27 -0.16 0.00 0.00 0.00 0.00 17.79 17.90 1jwd h ALA 2 CO 0.00 0.86 -0.27 0.77 0.00 0.00 0.00 179.25 180.61 1jwd h SER 3 N 0.12 -0.98 -0.51 0.00 0.02 -2.05 0.61 113.55 110.77 1jwd h SER 3 Ca -0.28 0.27 0.10 0.00 -0.84 0.00 0.00 61.79 61.04 1jwd h SER 3 Cb 2.13 0.59 -0.08 0.00 0.14 0.00 0.00 62.40 65.18 1jwd h SER 3 CO 0.23 -0.29 0.01 -0.65 -1.14 0.00 0.00 176.83 174.99 1jwd h PRO 4 N -0.02 0.12 -0.14 3.45 0.11 -2.00 0.89 132.00 134.42 1jwd h PRO 4 Ca 0.39 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.42 1jwd h PRO 4 Cb 0.63 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 1jwd h PRO 4 CO -0.90 0.08 -0.21 1.25 -0.21 0.00 0.00 178.00 178.01 1jwd h LEU 5 N 0.13 0.42 -0.37 2.35 5.85 -1.22 -2.65 115.31 119.82 1jwd h LEU 5 Ca 0.26 -0.53 0.07 0.00 0.84 0.00 0.00 57.88 58.52 1jwd h LEU 5 Cb 0.39 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 1jwd h LEU 5 CO -0.42 0.87 -0.06 0.44 -0.34 0.00 0.00 178.44 178.93 1jwd h ASP 6 N -0.01 -0.27 -0.87 1.25 3.32 -0.45 0.10 116.42 119.50 1jwd h ASP 6 Ca 0.01 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1jwd h ASP 6 Cb 0.78 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 1jwd h ASP 6 CO 0.05 -0.09 0.44 0.06 -1.72 0.00 0.00 179.24 177.98 1jwd h GLN 7 N 0.04 1.23 0.53 3.56 3.07 -0.89 0.18 115.11 122.82 1jwd h GLN 7 Ca 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 58.65 58.73 1jwd h GLN 7 Cb 0.27 -0.23 0.01 0.00 0.08 0.00 0.00 27.48 27.60 1jwd h GLN 7 CO -0.35 0.92 -0.25 0.00 0.09 0.00 0.00 178.83 179.24 1jwd h ALA 8 N 1.24 -0.71 -0.73 0.06 0.00 -0.74 0.34 119.26 118.72 1jwd h ALA 8 Ca 0.30 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1jwd h ALA 8 Cb 0.08 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1jwd h ALA 8 CO -0.04 -0.85 0.45 -0.84 0.00 0.00 0.00 179.25 177.96 1jwd h ILE 9 N -0.80 1.05 -0.94 0.00 3.07 -0.82 -0.04 117.51 119.04 1jwd h ILE 9 Ca -0.07 -0.29 0.24 0.00 1.55 0.00 0.00 64.86 66.29 1jwd h ILE 9 Cb 0.58 0.13 -0.13 0.00 -0.27 0.00 0.00 36.82 37.14 1jwd h ILE 9 CO 0.12 0.15 0.47 1.23 -1.05 0.00 0.00 178.15 179.07 1jwd h GLY 10 N 0.84 1.70 0.90 0.16 0.00 -0.38 -0.83 103.07 105.46 1jwd h GLY 10 Ca 0.31 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1jwd h GLY 10 CO -0.14 -0.28 -0.38 -2.00 0.00 0.00 0.00 176.54 173.73 1jwd h LEU 11 N 0.45 -0.91 -0.56 3.11 7.12 0.17 0.23 115.31 124.90 1jwd h LEU 11 Ca 0.60 0.02 0.11 0.00 0.13 0.00 0.00 57.88 58.74 1jwd h LEU 11 Cb 1.17 0.24 -0.09 0.00 -0.53 0.00 0.00 40.66 41.44 1jwd h LEU 11 CO -0.52 -0.59 -0.00 -0.07 -0.13 0.00 0.00 178.44 177.13 1jwd h LEU 12 N -1.19 -0.26 0.17 2.25 4.07 -1.21 0.65 115.31 119.79 1jwd h LEU 12 Ca -0.11 0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1jwd h LEU 12 Cb 0.84 0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 1jwd h LEU 12 CO 0.18 -0.10 -0.16 0.40 -1.08 0.00 0.00 178.44 177.69 1jwd h ILE 13 N 0.11 0.66 0.02 1.22 2.04 -1.02 0.06 117.51 120.61 1jwd h ILE 13 Ca 0.29 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.18 1jwd h ILE 13 Cb 0.45 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1jwd h ILE 13 CO -0.48 0.00 -0.29 1.23 0.00 0.00 0.00 178.15 178.61 1jwd h GLY 14 N -0.35 -0.47 0.16 5.37 0.00 0.28 0.12 103.07 108.18 1jwd h GLY 14 Ca -0.00 0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.71 1jwd h GLY 14 CO -0.03 -0.22 -0.38 -2.22 0.00 0.00 0.00 176.54 173.69 1jwd h ILE 15 N -0.45 0.21 -0.13 2.60 2.04 -0.79 0.12 117.51 121.11 1jwd h ILE 15 Ca 0.06 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.96 1jwd h ILE 15 Cb 0.52 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 1jwd h ILE 15 CO -0.23 0.00 -0.23 0.15 0.00 0.00 0.00 178.15 177.84 1jwd h PHE 16 N -0.50 -0.60 0.00 1.37 3.57 -0.45 -2.43 116.94 117.90 1jwd h PHE 16 Ca 0.07 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 1jwd h PHE 16 Cb 0.61 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1jwd h PHE 16 CO -0.41 -0.31 -0.50 0.45 -2.23 0.00 0.00 178.31 175.32 1jwd h HIS 17 N -0.29 0.00 0.44 0.41 3.86 -0.50 0.11 115.15 119.18 1jwd h HIS 17 Ca 0.10 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1jwd h HIS 17 Cb 0.43 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 1jwd h HIS 17 CO -0.33 0.50 -0.25 0.87 0.86 0.00 0.00 177.93 179.57 1jwd h LYS 18 N 0.00 -0.63 -0.28 2.45 1.57 -0.66 0.20 116.57 119.21 1jwd h LYS 18 Ca -0.00 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1jwd h LYS 18 Cb 0.99 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1jwd h LYS 18 CO 0.06 -0.42 0.16 1.88 -0.57 0.00 0.00 179.45 180.56 1jwd h TYR 19 N -0.65 0.39 0.22 -1.35 -1.99 -1.09 -0.70 116.97 111.79 1jwd h TYR 19 Ca -0.05 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.66 1jwd h TYR 19 Cb 0.53 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.14 1jwd h TYR 19 CO -0.08 0.32 -0.11 0.77 -0.00 0.00 0.00 178.16 179.06 1jwd h SER 20 N 0.34 -0.25 -0.79 3.88 0.02 -0.79 -2.80 113.55 113.17 1jwd h SER 20 Ca 0.10 0.01 0.18 0.00 -0.84 0.00 0.00 61.79 61.24 1jwd h SER 20 Cb 0.06 0.06 -0.12 0.00 0.14 0.00 0.00 62.40 62.55 1jwd h SER 20 CO -0.02 -0.18 0.20 1.23 -1.14 0.00 0.00 176.83 176.93 1jwd h GLY 21 N -0.30 1.14 0.10 -3.77 0.00 -0.40 0.31 103.07 100.15 1jwd h GLY 21 Ca -0.03 -0.04 0.25 0.00 0.00 0.00 0.00 47.33 47.50 1jwd h GLY 21 CO 0.05 -0.25 0.65 1.70 0.00 0.00 0.00 176.54 178.69 1jwd h LYS 22 N 0.26 0.28 -0.20 4.80 3.64 -0.84 0.35 116.57 124.86 1jwd h LYS 22 Ca 0.46 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.80 1jwd h LYS 22 Cb 0.83 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1jwd h LYS 22 CO -0.55 0.18 -0.02 -0.85 -2.27 0.00 0.00 179.45 175.94 1jwd n GLU 23 N -4.47 2.31 0.00 1.90 -0.00 -0.01 -5.00 120.64 115.38 1jwd n GLU 23 Ca 0.21 -2.84 0.00 0.00 -0.00 0.00 0.00 57.16 54.54 1jwd n GLU 23 Cb 0.85 -1.75 0.00 0.00 -0.00 0.00 0.00 31.44 30.54 1jwd n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jwd n GLY 24 N -0.85 2.83 3.76 -1.84 0.00 0.11 -5.01 105.19 104.19 1jwd n GLY 24 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1jwd n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jwd s ASP 25 N -0.28 5.45 0.00 1.61 1.01 -1.03 -4.79 116.67 118.63 1jwd s ASP 25 Ca 0.00 2.32 0.00 0.00 0.71 0.00 0.00 52.55 55.58 1jwd s ASP 25 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1jwd s ASP 25 CO 0.00 -1.41 0.00 0.29 0.21 0.00 0.00 175.17 174.26 1jwd n LYS 26 N -1.40 0.00 0.00 8.23 4.01 -1.26 -3.11 118.16 124.63 1jwd n LYS 26 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 1jwd n LYS 26 Cb 0.50 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.02 1jwd n LYS 26 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1jwd n HIS 27 N 0.00 0.00 -3.66 2.13 8.25 -1.26 -4.73 115.22 115.95 1jwd n HIS 27 Ca 0.00 -0.37 -0.15 0.00 -0.26 0.00 0.00 57.72 56.94 1jwd n HIS 27 Cb 0.00 -0.21 -0.08 0.00 1.12 0.00 0.00 29.99 30.82 1jwd n HIS 27 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1jwd s THR 28 N -0.21 0.01 -0.10 1.59 -1.32 -1.26 -1.39 115.64 112.96 1jwd s THR 28 Ca 0.00 -0.07 -0.03 0.00 -1.21 0.00 0.00 61.69 60.38 1jwd s THR 28 Cb 0.00 -0.81 -0.03 0.00 -1.51 0.00 0.00 72.50 70.14 1jwd s THR 28 CO 0.00 -0.04 0.03 -0.76 -2.21 0.00 0.00 174.62 171.64 1jwd s LEU 29 N -0.28 3.74 0.54 9.08 1.43 0.44 -4.68 118.68 128.96 1jwd s LEU 29 Ca -0.04 0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 53.10 1jwd s LEU 29 Cb -0.03 -1.87 -0.07 0.00 0.03 0.00 0.00 46.19 44.25 1jwd s LEU 29 CO 0.03 0.37 1.00 -0.94 0.23 0.00 0.00 176.35 177.04 1jwd s SER 30 N -0.82 6.49 0.19 2.29 1.04 -1.26 -0.31 113.70 121.32 1jwd s SER 30 Ca 0.13 1.55 -0.15 0.00 0.48 0.00 0.00 55.95 57.96 1jwd s SER 30 Cb -0.12 -2.50 0.18 0.00 0.10 0.00 0.00 66.02 63.68 1jwd s SER 30 CO 0.03 -0.68 1.64 0.07 0.98 0.00 0.00 173.24 175.27 1jwd h LYS 31 N 0.63 -0.02 0.00 4.02 2.10 -1.34 0.94 116.57 122.90 1jwd h LYS 31 Ca -0.46 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.05 1jwd h LYS 31 Cb 1.19 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.50 1jwd h LYS 31 CO 0.61 -0.01 -0.69 -0.22 -2.00 0.00 0.00 179.45 177.15 1jwd h LYS 32 N -0.02 0.00 -0.60 0.07 3.64 -1.94 -1.56 116.57 116.16 1jwd h LYS 32 Ca 0.26 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.55 1jwd h LYS 32 Cb 0.42 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1jwd h LYS 32 CO -0.57 0.69 0.01 1.49 -2.27 0.00 0.00 179.45 178.79 1jwd h GLU 33 N 0.00 1.05 -0.09 1.90 4.57 -1.53 1.00 114.58 121.48 1jwd h GLU 33 Ca -0.01 -0.33 0.03 0.00 -1.18 0.00 0.00 59.36 57.87 1jwd h GLU 33 Cb 1.36 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 1jwd h GLU 33 CO 0.09 1.03 -0.10 1.25 -1.18 0.00 0.00 179.01 180.09 1jwd h LEU 34 N 0.95 -0.31 -0.62 1.64 7.12 -0.64 0.15 115.31 123.59 1jwd h LEU 34 Ca 0.17 0.06 0.10 0.00 0.13 0.00 0.00 57.88 58.35 1jwd h LEU 34 Cb 0.55 0.15 -0.08 0.00 -0.53 0.00 0.00 40.66 40.75 1jwd h LEU 34 CO 0.03 -0.14 0.21 0.50 -0.13 0.00 0.00 178.44 178.91 1jwd h LYS 35 N -0.13 0.36 -0.36 1.25 3.64 -0.84 -0.43 116.57 120.06 1jwd h LYS 35 Ca 0.07 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1jwd h LYS 35 Cb 0.23 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1jwd h LYS 35 CO -0.17 0.24 0.06 1.49 -2.27 0.00 0.00 179.45 178.80 1jwd h GLU 36 N 0.37 0.17 -0.21 1.90 4.81 -0.15 0.14 114.58 121.61 1jwd h GLU 36 Ca 0.32 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.60 1jwd h GLU 36 Cb 0.43 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 1jwd h GLU 36 CO -0.34 0.11 -0.33 1.25 -0.73 0.00 0.00 179.01 178.97 1jwd h LEU 37 N 0.17 -1.06 0.15 1.64 6.46 0.38 0.66 115.31 123.72 1jwd h LEU 37 Ca 0.17 0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 58.09 1jwd h LEU 37 Cb 0.21 0.46 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1jwd h LEU 37 CO -0.24 -0.35 -0.07 0.40 -0.62 0.00 0.00 178.44 177.55 1jwd h ILE 38 N -0.36 0.93 0.00 4.05 2.04 -0.57 0.11 117.51 123.71 1jwd h ILE 38 Ca 0.12 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1jwd h ILE 38 Cb 0.55 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1jwd h ILE 38 CO -0.41 0.08 -0.10 1.56 0.00 0.00 0.00 178.15 179.27 1jwd h GLN 39 N -0.35 0.00 0.00 2.37 1.08 -0.46 0.46 115.11 118.21 1jwd h GLN 39 Ca -0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1jwd h GLN 39 Cb 0.27 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1jwd h GLN 39 CO 0.03 0.10 -0.06 -0.22 -0.95 0.00 0.00 178.83 177.73 1jwd h LYS 40 N 0.00 0.00 0.37 1.46 3.11 -0.67 -3.30 116.57 117.53 1jwd h LYS 40 Ca -0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1jwd h LYS 40 Cb 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 1jwd h LYS 40 CO 0.01 0.29 -0.18 0.93 -2.81 0.00 0.00 179.45 177.70 1jwd h GLU 41 N -1.00 -0.48 -2.43 1.90 4.39 -0.51 -3.22 114.58 113.24 1jwd h GLU 41 Ca -0.01 0.03 -0.58 0.00 0.34 0.00 0.00 59.36 59.14 1jwd h GLU 41 Cb 0.33 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 28.99 1jwd h GLU 41 CO -0.01 -0.32 1.71 1.28 -1.16 0.00 0.00 179.01 180.52 1jwd n LEU 42 N -3.69 7.34 -4.64 1.33 7.99 0.16 -4.96 117.00 120.53 1jwd n LEU 42 Ca -0.06 -4.32 -0.42 0.00 -0.01 0.00 0.00 56.01 51.19 1jwd n LEU 42 Cb 0.19 -1.37 -0.03 0.00 -0.11 0.00 0.00 43.42 42.11 1jwd n LEU 42 CO 0.15 1.92 1.49 0.28 -1.51 0.00 0.00 177.39 179.72 1jwd s THR 43 N -0.55 3.40 0.04 -5.08 -1.32 -1.22 -4.55 115.64 106.37 1jwd s THR 43 Ca 0.60 0.47 0.03 0.00 -1.21 0.00 0.00 61.69 61.58 1jwd s THR 43 Cb 0.26 -3.36 -0.25 0.00 -1.51 0.00 0.00 72.50 67.64 1jwd s THR 43 CO -0.11 -0.11 1.00 0.40 -2.21 0.00 0.00 174.62 173.59 1jwd h ILE 44 N 5.95 1.33 0.00 5.08 2.04 -1.88 -3.48 117.51 126.56 1jwd h ILE 44 Ca -0.40 -3.02 0.00 0.00 1.00 0.00 0.00 64.86 62.43 1jwd h ILE 44 Cb 1.19 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 1jwd h ILE 44 CO 0.96 0.82 0.00 0.61 0.00 0.00 0.00 178.15 180.55 1jwd n GLY 45 N 1.53 1.15 3.14 5.37 0.00 -1.26 -4.71 105.19 110.40 1jwd n GLY 45 Ca -0.10 -0.02 -0.42 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 2.95 2.67 0.18 1.61 7.64 -1.26 -4.75 113.62 122.66 1jwd n SER 46 Ca 0.00 -2.69 0.10 0.00 1.01 0.00 0.00 58.87 57.29 1jwd n SER 46 Cb 0.00 -1.22 0.55 0.00 -1.01 0.00 0.00 64.21 62.53 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 8.02 0.00 -1.09 1.43 1.79 -2.01 -1.24 116.57 123.48 1jwd h LYS 47 Ca 0.41 0.00 0.32 0.00 -2.18 0.00 0.00 60.65 59.20 1jwd h LYS 47 Cb 0.70 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.23 1jwd h LYS 47 CO 1.87 0.00 0.67 -0.07 -1.08 0.00 0.00 179.45 180.84 1jwd h LEU 48 N 0.00 0.45 0.00 2.94 3.38 -1.99 0.85 115.31 120.95 1jwd h LEU 48 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1jwd h LEU 48 Cb 0.25 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1jwd h LEU 48 CO 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.49 1jwd n GLN 49 N -4.81 0.01 0.04 1.13 1.13 -0.47 -3.22 117.38 111.20 1jwd n GLN 49 Ca 0.30 0.36 0.22 0.00 -1.94 0.00 0.00 57.00 55.94 1jwd n GLN 49 Cb 1.02 -1.50 0.73 0.00 0.11 0.00 0.00 30.24 30.60 1jwd n GLN 49 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1jwd h ASP 50 N 0.00 0.00 -0.51 1.08 3.58 -1.06 0.69 116.42 120.20 1jwd h ASP 50 Ca 0.00 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.55 1jwd h ASP 50 Cb 0.11 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.06 1jwd h ASP 50 CO 0.00 0.00 -0.15 0.00 -2.88 0.00 0.00 179.24 176.21 1jwd h ALA 51 N 1.47 0.31 -0.62 -0.78 0.00 -1.80 0.27 119.26 118.11 1jwd h ALA 51 Ca 0.24 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 1jwd h ALA 51 Cb 1.25 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1jwd h ALA 51 CO -0.00 -0.46 0.17 0.93 0.00 0.00 0.00 179.25 179.89 1jwd h GLU 52 N -0.02 0.98 -0.86 0.00 3.07 -1.16 -2.80 114.58 113.80 1jwd h GLU 52 Ca 0.25 -0.22 0.04 0.00 -0.50 0.00 0.00 59.36 58.93 1jwd h GLU 52 Cb 0.40 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 28.12 1jwd h GLU 52 CO -0.54 0.88 0.56 0.82 -1.40 0.00 0.00 179.01 179.33 1jwd h ILE 53 N 0.90 1.11 -0.34 3.13 1.08 -1.02 0.55 117.51 122.93 1jwd h ILE 53 Ca 0.20 -0.35 -0.13 0.00 -0.39 0.00 0.00 64.86 64.18 1jwd h ILE 53 Cb 0.32 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 1jwd h ILE 53 CO -0.00 0.19 -0.32 -0.37 -0.69 0.00 0.00 178.15 176.95 1jwd h VAL 54 N 1.03 1.28 0.15 1.67 -1.51 -0.30 0.31 116.25 118.89 1jwd h VAL 54 Ca 0.35 -1.47 -0.01 0.00 -1.23 0.00 0.00 66.70 64.34 1jwd h VAL 54 Cb 0.09 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1jwd h VAL 54 CO -0.11 0.48 -0.07 0.50 -1.23 0.00 0.00 177.57 177.14 1jwd h LYS 55 N 0.63 -0.20 -0.64 5.19 1.63 -1.09 0.16 116.57 122.25 1jwd h LYS 55 Ca 0.07 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 59.98 1jwd h LYS 55 Cb 0.85 0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.45 1jwd h LYS 55 CO 0.07 -0.10 0.24 1.25 -3.45 0.00 0.00 179.45 177.46 1jwd h LEU 56 N -0.24 0.24 -0.62 5.20 6.46 -0.79 0.50 115.31 126.07 1jwd h LEU 56 Ca -0.02 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1jwd h LEU 56 Cb 0.18 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 1jwd h LEU 56 CO 0.03 0.13 0.31 -0.03 -0.62 0.00 0.00 178.44 178.26 1jwd h MET 57 N 0.42 0.88 -0.36 1.25 4.05 -0.12 0.72 114.93 121.77 1jwd h MET 57 Ca 0.33 -0.12 0.04 0.00 -0.28 0.00 0.00 59.70 59.67 1jwd h MET 57 Cb 0.42 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.02 1jwd h MET 57 CO -0.32 0.69 0.12 0.22 0.23 0.00 0.00 176.91 177.85 1jwd h ASP 58 N 0.84 0.13 -0.63 1.39 3.58 0.25 0.20 116.42 122.17 1jwd h ASP 58 Ca 0.21 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 1jwd h ASP 58 Cb 0.10 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 1jwd h ASP 58 CO -0.03 0.11 0.36 0.44 -2.88 0.00 0.00 179.24 177.24 1jwd h ASP 59 N 0.27 0.77 0.97 2.28 3.32 -0.12 0.13 116.42 124.03 1jwd h ASP 59 Ca 0.16 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1jwd h ASP 59 Cb 0.14 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.51 1jwd h ASP 59 CO -0.17 0.62 -0.47 -0.07 -1.72 0.00 0.00 179.24 177.43 1jwd h LEU 60 N 0.85 -1.10 -1.44 1.55 3.38 -0.60 -3.31 115.31 114.64 1jwd h LEU 60 Ca 0.22 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1jwd h LEU 60 Cb 0.01 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jwd h LEU 60 CO -0.04 -0.78 -0.09 -2.24 0.09 0.00 0.00 178.44 175.39 1jwd h ASP 61 N -1.33 0.00 -0.50 -0.43 2.03 -0.40 -3.11 116.42 112.69 1jwd h ASP 61 Ca -0.13 0.00 0.07 0.00 -0.73 0.00 0.00 57.03 56.24 1jwd h ASP 61 Cb 1.00 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.42 1jwd h ASP 61 CO 0.22 0.09 -0.21 -1.14 -1.03 0.00 0.00 179.24 177.17 1jwd n ARG 62 N -3.24 -0.13 -0.23 4.15 0.63 0.43 -0.70 116.66 117.56 1jwd n ARG 62 Ca 0.00 0.76 0.03 0.00 -0.92 0.00 0.00 57.85 57.72 1jwd n ARG 62 Cb 0.33 -1.13 0.07 0.00 0.45 0.00 0.00 32.46 32.19 1jwd n ARG 62 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1jwd n ASN 63 N -4.71 -0.28 -2.87 6.15 4.05 -1.18 -1.32 115.26 115.10 1jwd n ASN 63 Ca 0.04 1.10 -0.16 0.00 0.45 0.00 0.00 54.58 56.01 1jwd n ASN 63 Cb 0.19 -0.31 -0.00 0.00 1.23 0.00 0.00 39.78 40.89 1jwd n ASN 63 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1jwd n LYS 64 N -5.01 1.54 0.00 1.20 5.02 0.12 -5.00 118.16 116.04 1jwd n LYS 64 Ca 0.09 -3.61 0.00 0.00 -2.02 0.00 0.00 58.31 52.78 1jwd n LYS 64 Cb 0.30 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1jwd n LYS 64 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1jwd n ASP 65 N 0.00 0.00 0.00 4.39 5.75 0.12 -0.90 116.55 125.92 1jwd n ASP 65 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 1jwd n ASP 65 Cb 0.70 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 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 -0.32 -4.19 0.11 6.02 -1.25 -4.11 117.38 113.65 1jwd n GLN 66 Ca 0.00 -0.64 -0.19 0.00 -0.01 0.00 0.00 57.00 56.16 1jwd n GLN 66 Cb 0.00 -0.98 -0.12 0.00 1.02 0.00 0.00 30.24 30.16 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 -0.16 0.86 -0.21 -1.09 2.02 -0.08 -0.81 118.70 119.23 1jwd s GLU 67 Ca 0.00 -0.99 -0.06 0.00 0.02 0.00 0.00 54.97 53.94 1jwd s GLU 67 Cb 0.00 -0.89 -0.03 0.00 0.10 0.00 0.00 34.13 33.31 1jwd s GLU 67 CO 0.00 0.20 0.03 0.08 0.02 0.00 0.00 175.26 175.59 1jwd s VAL 68 N -1.29 4.19 0.52 2.63 1.01 0.57 -2.25 120.40 125.79 1jwd s VAL 68 Ca -0.01 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1jwd s VAL 68 Cb -0.10 -2.92 -0.07 0.00 0.00 0.00 0.00 36.38 33.29 1jwd s VAL 68 CO 0.03 0.40 0.99 0.21 0.00 0.00 0.00 175.10 176.73 1jwd s ASN 69 N 1.12 6.53 0.21 3.32 3.84 -1.26 -0.42 114.94 128.28 1jwd s ASN 69 Ca 0.03 1.60 -0.18 0.00 0.21 0.00 0.00 52.86 54.52 1jwd s ASN 69 Cb -0.14 -2.51 0.20 0.00 -0.55 0.00 0.00 41.25 38.24 1jwd s ASN 69 CO 0.02 -0.65 1.57 0.15 -2.79 0.00 0.00 177.10 175.40 1jwd h PHE 70 N 0.87 -0.92 -0.37 0.43 3.57 -1.60 0.80 116.94 119.72 1jwd h PHE 70 Ca -0.47 0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.03 1jwd h PHE 70 Cb 1.19 0.52 -0.02 0.00 2.79 0.00 0.00 35.95 40.43 1jwd h PHE 70 CO 0.63 -0.39 -0.13 0.37 -2.23 0.00 0.00 178.31 176.57 1jwd h GLN 71 N -0.08 0.67 -0.01 1.11 4.15 -1.94 -0.47 115.11 118.53 1jwd h GLN 71 Ca 0.30 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1jwd h GLN 71 Cb 0.58 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 1jwd h GLN 71 CO -0.82 0.77 -0.01 1.49 -1.93 0.00 0.00 178.83 178.33 1jwd h GLU 72 N 0.61 -0.02 -0.21 1.69 4.57 -1.73 0.04 114.58 119.53 1jwd h GLU 72 Ca 0.10 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 1jwd h GLU 72 Cb 0.57 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.10 1jwd h GLU 72 CO 0.04 -0.01 -0.19 -0.92 -1.18 0.00 0.00 179.01 176.75 1jwd h TYR 73 N -0.02 -0.48 0.24 0.92 3.20 -0.03 0.24 116.97 121.05 1jwd h TYR 73 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1jwd h TYR 73 Cb 0.03 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1jwd h TYR 73 CO -0.10 -0.26 -0.24 0.82 -1.64 0.00 0.00 178.16 176.74 1jwd h ILE 74 N -0.20 0.48 -0.52 1.81 1.08 -1.00 0.81 117.51 119.97 1jwd h ILE 74 Ca 0.13 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.70 1jwd h ILE 74 Cb 0.38 0.48 -0.11 0.00 -3.07 0.00 0.00 36.82 34.51 1jwd h ILE 74 CO -0.33 0.00 -0.21 0.74 -0.69 0.00 0.00 178.15 177.66 1jwd h THR 75 N -0.51 0.34 -0.68 -0.27 2.02 -0.54 -0.13 112.91 113.14 1jwd h THR 75 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1jwd h THR 75 Cb 0.48 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1jwd h THR 75 CO -0.06 0.00 0.15 0.15 0.37 0.00 0.00 175.52 176.13 1jwd h PHE 76 N -0.09 1.15 -0.64 3.16 3.04 -0.26 0.25 116.94 123.55 1jwd h PHE 76 Ca 0.24 -0.14 0.06 0.00 3.98 0.00 0.00 57.97 62.11 1jwd h PHE 76 Cb 0.47 -0.32 -0.04 0.00 2.56 0.00 0.00 35.95 38.62 1jwd h PHE 76 CO -0.51 0.95 0.42 -0.07 -2.02 0.00 0.00 178.31 177.08 1jwd h LEU 77 N 1.02 0.58 0.01 0.59 3.38 0.20 0.39 115.31 121.48 1jwd h LEU 77 Ca 0.21 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1jwd h LEU 77 Cb 0.39 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1jwd h LEU 77 CO 0.01 0.38 -0.09 1.23 0.09 0.00 0.00 178.44 180.05 1jwd h GLY 78 N 0.66 -0.12 0.48 0.83 0.00 0.70 0.12 103.07 105.75 1jwd h GLY 78 Ca 0.27 0.11 0.10 0.00 0.00 0.00 0.00 47.33 47.81 1jwd h GLY 78 CO -0.08 -0.10 0.48 0.00 0.00 0.00 0.00 176.54 176.84 1jwd h ALA 79 N 0.80 1.22 -0.45 3.60 0.00 0.57 0.07 119.26 125.08 1jwd h ALA 79 Ca 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1jwd h ALA 79 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1jwd h ALA 79 CO -0.09 0.09 0.22 1.25 0.00 0.00 0.00 179.25 180.72 1jwd h LEU 80 N 0.79 0.58 -0.31 0.00 5.85 0.18 0.25 115.31 122.64 1jwd h LEU 80 Ca 0.41 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 59.07 1jwd h LEU 80 Cb 0.41 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1jwd h LEU 80 CO -0.26 0.53 -0.01 0.00 -0.34 0.00 0.00 178.44 178.36 1jwd h ALA 81 N 1.07 0.27 -0.66 1.25 0.00 -0.11 0.12 119.26 121.20 1jwd h ALA 81 Ca 0.15 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1jwd h ALA 81 Cb 0.10 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1jwd h ALA 81 CO -0.02 -0.41 0.41 1.98 0.00 0.00 0.00 179.25 181.20 1jwd h MET 82 N 0.08 0.77 -0.36 0.00 1.85 -0.20 -0.52 114.93 116.55 1jwd h MET 82 Ca 0.15 -0.05 -0.05 0.00 -0.61 0.00 0.00 59.70 59.14 1jwd h MET 82 Cb 0.20 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 1jwd h MET 82 CO -0.26 0.51 0.01 0.82 -0.40 0.00 0.00 176.91 177.59 1jwd h ILE 83 N 0.79 1.26 -0.59 1.77 2.04 -0.02 -2.10 117.51 120.66 1jwd h ILE 83 Ca 0.27 -0.96 0.09 0.00 1.00 0.00 0.00 64.86 65.26 1jwd h ILE 83 Cb 0.04 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1jwd h ILE 83 CO -0.12 0.32 0.21 1.88 0.00 0.00 0.00 178.15 180.44 1jwd h TYR 84 N 0.44 0.36 0.00 1.37 0.05 -0.52 -3.44 116.97 115.23 1jwd h TYR 84 Ca 0.10 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.91 1jwd h TYR 84 Cb 0.44 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.11 1jwd h TYR 84 CO 0.03 0.09 0.00 -1.71 -1.05 0.00 0.00 178.16 175.52 1jwd n ASN 85 N -5.01 0.00 -0.34 3.88 2.85 -0.23 -4.25 115.26 112.17 1jwd n ASN 85 Ca 0.08 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.65 1jwd n ASN 85 Cb 0.27 0.00 0.27 0.00 1.24 0.00 0.00 39.78 41.56 1jwd n ASN 85 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1jwd h GLU 86 N 0.00 0.76 -1.04 1.20 4.57 -1.86 0.49 114.58 118.69 1jwd h GLU 86 Ca 0.00 -0.05 0.31 0.00 -1.18 0.00 0.00 59.36 58.44 1jwd h GLU 86 Cb 0.00 -0.17 -0.13 0.00 -0.16 0.00 0.00 28.75 28.29 1jwd h GLU 86 CO 0.00 0.50 0.62 0.00 -1.18 0.00 0.00 179.01 178.96 1jwd h ALA 87 N 1.59 2.04 -0.28 2.92 0.00 -1.73 0.28 119.26 124.07 1jwd h ALA 87 Ca 0.53 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.55 1jwd h ALA 87 Cb 0.73 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1jwd h ALA 87 CO -0.35 -0.59 0.05 -0.07 0.00 0.00 0.00 179.25 178.30 1jwd h LEU 88 N 0.38 0.37 0.02 0.00 3.38 -1.15 -3.20 115.31 115.11 1jwd h LEU 88 Ca 0.70 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 58.42 1jwd h LEU 88 Cb 1.63 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 1jwd h LEU 88 CO -0.51 0.40 -1.10 0.11 0.09 0.00 0.00 178.44 177.43 1jwd h LYS 89 N 0.41 0.04 0.00 1.13 1.57 -0.63 -3.52 116.57 115.56 1jwd h LYS 89 Ca 0.10 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1jwd h LYS 89 Cb 0.19 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1jwd h LYS 89 CO -0.00 1.03 0.00 0.41 -0.57 0.00 0.00 179.45 180.32