#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 0.47 -0.69 3.04 0.00 -2.05 -3.39 119.26 116.64 1jwd h ALA 2 Ca 0.00 -0.75 0.13 0.00 0.00 0.00 0.00 54.91 54.29 1jwd h ALA 2 Cb 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 17.53 1jwd h ALA 2 CO 0.00 1.02 -0.26 0.77 0.00 0.00 0.00 179.25 180.78 1jwd h SER 3 N 0.00 -0.93 -0.17 0.00 0.02 -2.05 -0.40 113.55 110.02 1jwd h SER 3 Ca -0.01 0.23 0.05 0.00 -0.84 0.00 0.00 61.79 61.22 1jwd h SER 3 Cb 1.63 0.53 -0.06 0.00 0.14 0.00 0.00 62.40 64.63 1jwd h SER 3 CO 0.11 -0.27 -0.27 -0.65 -1.14 0.00 0.00 176.83 174.60 1jwd h PRO 4 N -0.07 -0.31 -0.28 3.45 0.11 -2.00 0.87 132.00 133.77 1jwd h PRO 4 Ca 0.30 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.39 1jwd h PRO 4 Cb 0.55 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 1jwd h PRO 4 CO -0.74 -0.20 0.01 1.25 -0.21 0.00 0.00 178.00 178.10 1jwd h LEU 5 N -0.32 0.48 -0.30 2.35 5.85 -1.69 -2.43 115.31 119.25 1jwd h LEU 5 Ca 0.11 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.59 1jwd h LEU 5 Cb 0.49 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1jwd h LEU 5 CO -0.35 0.67 -0.09 0.44 -0.34 0.00 0.00 178.44 178.76 1jwd h ASP 6 N 0.29 -0.33 -0.85 1.25 3.32 -0.57 0.90 116.42 120.42 1jwd h ASP 6 Ca 0.08 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1jwd h ASP 6 Cb 0.41 0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 1jwd h ASP 6 CO 0.01 -0.12 0.48 0.06 -1.72 0.00 0.00 179.24 177.95 1jwd h GLN 7 N -0.03 1.18 0.45 3.56 3.07 -0.84 0.16 115.11 122.67 1jwd h GLN 7 Ca 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 58.65 58.74 1jwd h GLN 7 Cb 0.25 -0.23 0.00 0.00 0.08 0.00 0.00 27.48 27.58 1jwd h GLN 7 CO -0.33 0.86 -0.22 0.00 0.09 0.00 0.00 178.83 179.24 1jwd h ALA 8 N 1.26 -0.60 -0.74 0.06 0.00 -0.68 0.28 119.26 118.83 1jwd h ALA 8 Ca 0.30 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1jwd h ALA 8 Cb 0.01 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1jwd h ALA 8 CO -0.05 -0.79 0.47 -0.84 0.00 0.00 0.00 179.25 178.04 1jwd h ILE 9 N -0.71 1.10 -0.87 0.00 3.07 -0.81 -0.35 117.51 118.93 1jwd h ILE 9 Ca -0.06 -0.31 0.22 0.00 1.55 0.00 0.00 64.86 66.26 1jwd h ILE 9 Cb 0.52 0.11 -0.13 0.00 -0.27 0.00 0.00 36.82 37.05 1jwd h ILE 9 CO 0.10 0.17 0.32 1.23 -1.05 0.00 0.00 178.15 178.91 1jwd h GLY 10 N 0.90 1.43 0.96 0.16 0.00 -0.42 -0.55 103.07 105.55 1jwd h GLY 10 Ca 0.30 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 1jwd h GLY 10 CO -0.12 -0.30 -0.48 -2.00 0.00 0.00 0.00 176.54 173.64 1jwd h LEU 11 N 0.31 -1.16 -0.46 3.11 7.12 0.13 0.25 115.31 124.61 1jwd h LEU 11 Ca 0.55 0.05 0.09 0.00 0.13 0.00 0.00 57.88 58.70 1jwd h LEU 11 Cb 1.06 0.31 -0.08 0.00 -0.53 0.00 0.00 40.66 41.42 1jwd h LEU 11 CO -0.58 -0.79 -0.07 -0.07 -0.13 0.00 0.00 178.44 176.80 1jwd h LEU 12 N -1.29 -0.35 -0.02 2.25 4.07 -1.20 0.93 115.31 119.70 1jwd h LEU 12 Ca -0.13 0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1jwd h LEU 12 Cb 1.00 0.26 -0.00 0.00 1.08 0.00 0.00 40.66 43.00 1jwd h LEU 12 CO 0.19 -0.12 0.02 0.40 -1.08 0.00 0.00 178.44 177.84 1jwd h ILE 13 N 0.04 1.01 0.27 1.22 2.04 -0.95 -0.40 117.51 120.73 1jwd h ILE 13 Ca 0.23 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1jwd h ILE 13 Cb 0.35 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1jwd h ILE 13 CO -0.45 0.01 -0.26 1.23 0.00 0.00 0.00 178.15 178.69 1jwd h GLY 14 N 0.02 -0.58 -0.00 5.37 0.00 0.01 -0.00 103.07 107.89 1jwd h GLY 14 Ca 0.01 0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.68 1jwd h GLY 14 CO -0.00 -0.24 -0.43 -2.22 0.00 0.00 0.00 176.54 173.65 1jwd h ILE 15 N -0.55 0.13 0.13 2.60 2.04 -0.68 0.11 117.51 121.28 1jwd h ILE 15 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1jwd h ILE 15 Cb 0.51 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 1jwd h ILE 15 CO -0.05 0.00 -0.50 0.15 0.00 0.00 0.00 178.15 177.75 1jwd h PHE 16 N -0.50 -1.44 0.00 1.37 3.04 -0.77 -1.87 116.94 116.77 1jwd h PHE 16 Ca 0.07 0.04 -0.10 0.00 3.98 0.00 0.00 57.97 61.96 1jwd h PHE 16 Cb 0.63 0.61 -0.01 0.00 2.56 0.00 0.00 35.95 39.74 1jwd h PHE 16 CO -0.50 -0.58 -0.45 0.45 -2.02 0.00 0.00 178.31 175.21 1jwd h HIS 17 N -0.73 0.00 -0.22 0.41 3.86 -0.74 0.26 115.15 117.98 1jwd h HIS 17 Ca 0.00 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1jwd h HIS 17 Cb 0.75 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 1jwd h HIS 17 CO -0.43 0.45 0.10 0.87 0.86 0.00 0.00 177.93 179.78 1jwd h LYS 18 N 0.00 0.21 -0.08 2.45 1.57 -0.47 0.11 116.57 120.36 1jwd h LYS 18 Ca -0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1jwd h LYS 18 Cb 0.82 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1jwd h LYS 18 CO 0.06 0.14 0.04 1.88 -0.57 0.00 0.00 179.45 180.99 1jwd h TYR 19 N 0.21 0.12 -0.75 -1.35 -1.99 -0.49 -2.61 116.97 110.11 1jwd h TYR 19 Ca 0.09 -0.01 0.17 0.00 2.00 0.00 0.00 58.73 60.99 1jwd h TYR 19 Cb 0.04 -0.04 -0.13 0.00 2.00 0.00 0.00 36.73 38.60 1jwd h TYR 19 CO -0.11 0.21 0.04 0.77 -0.00 0.00 0.00 178.16 179.07 1jwd h SER 20 N 0.00 -0.28 -1.84 3.88 0.02 -0.76 -0.46 113.55 114.11 1jwd h SER 20 Ca 0.03 0.19 0.53 0.00 -0.84 0.00 0.00 61.79 61.70 1jwd h SER 20 Cb 0.13 0.32 -0.07 0.00 0.14 0.00 0.00 62.40 62.92 1jwd h SER 20 CO -0.00 -0.16 1.33 1.23 -1.14 0.00 0.00 176.83 178.09 1jwd h GLY 21 N 0.13 0.00 -0.07 -3.77 0.00 -0.37 0.25 103.07 99.24 1jwd h GLY 21 Ca 0.42 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.88 1jwd h GLY 21 CO -0.64 0.00 0.03 1.70 0.00 0.00 0.00 176.54 177.63 1jwd h LYS 22 N 0.00 0.14 0.01 4.80 3.64 -1.12 -3.21 116.57 120.83 1jwd h LYS 22 Ca 0.87 -0.01 -0.39 0.00 -1.27 0.00 0.00 60.65 59.86 1jwd h LYS 22 Cb 3.53 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 35.25 1jwd h LYS 22 CO -0.01 0.09 -2.44 -0.85 -2.27 0.00 0.00 179.45 173.97 1jwd n GLU 23 N -5.26 0.66 0.00 1.90 0.28 0.62 -5.10 120.64 113.74 1jwd n GLU 23 Ca 0.10 0.15 0.00 0.00 -0.16 0.00 0.00 57.16 57.25 1jwd n GLU 23 Cb 0.38 -1.53 0.00 0.00 1.43 0.00 0.00 31.44 31.71 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 2.22 1.63 3.03 -1.84 0.00 0.33 -5.04 105.19 105.52 1jwd n GLY 24 Ca -0.45 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 2.96 -4.81 1.61 2.03 -1.26 -2.80 116.55 114.27 1jwd n ASP 25 Ca 0.00 -2.73 -0.30 0.00 0.52 0.00 0.00 54.79 52.28 1jwd n ASP 25 Cb 0.00 -1.30 -0.06 0.00 -0.72 0.00 0.00 41.12 39.04 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 4.56 3.00 -0.10 -0.67 1.02 -1.26 -5.01 119.74 121.27 1jwd s LYS 26 Ca 0.55 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.89 1jwd s LYS 26 Cb 0.13 -2.78 0.22 0.00 -0.52 0.00 0.00 37.83 34.89 1jwd s LYS 26 CO 0.06 0.56 1.09 0.72 -0.92 0.00 0.00 175.35 176.86 1jwd n HIS 27 N 0.27 0.77 -3.60 3.18 8.25 -1.26 -4.71 115.22 118.12 1jwd n HIS 27 Ca -0.08 -0.59 -0.20 0.00 -0.26 0.00 0.00 57.72 56.59 1jwd n HIS 27 Cb 0.52 -0.35 -0.16 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.21 -0.21 0.39 1.59 -4.23 -1.26 -0.57 115.64 110.14 1jwd s THR 28 Ca 0.16 0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 60.64 1jwd s THR 28 Cb 0.13 -0.47 -0.07 0.00 1.34 0.00 0.00 72.50 73.44 1jwd s THR 28 CO 0.04 -0.07 0.77 -0.76 -0.54 0.00 0.00 174.62 174.06 1jwd s LEU 29 N 2.24 3.87 0.00 4.79 1.43 -0.04 -4.90 118.68 126.07 1jwd s LEU 29 Ca 0.04 1.18 0.02 0.00 -1.03 0.00 0.00 54.13 54.34 1jwd s LEU 29 Cb -0.14 -4.05 0.13 0.00 0.03 0.00 0.00 46.19 42.16 1jwd s LEU 29 CO -0.08 -0.37 0.91 -0.24 0.23 0.00 0.00 176.35 176.80 1jwd n SER 30 N -1.12 1.49 0.10 2.29 2.88 -1.26 0.16 113.62 118.16 1jwd n SER 30 Ca 0.03 -2.19 -0.04 0.00 -1.33 0.00 0.00 58.87 55.33 1jwd n SER 30 Cb 0.54 -0.56 -0.02 0.00 -0.75 0.00 0.00 64.21 63.41 1jwd n SER 30 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1jwd h LYS 31 N 0.00 -0.26 -0.32 -1.46 1.57 -1.96 0.81 116.57 114.94 1jwd h LYS 31 Ca -0.30 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1jwd h LYS 31 Cb 1.18 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 1jwd h LYS 31 CO 0.35 -0.17 0.17 -0.22 -0.57 0.00 0.00 179.45 179.01 1jwd h LYS 32 N -0.32 0.43 -0.27 3.15 3.11 -1.97 -0.28 116.57 120.42 1jwd h LYS 32 Ca -0.03 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1jwd h LYS 32 Cb 0.21 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.33 1jwd h LYS 32 CO 0.04 0.32 0.16 1.49 -2.81 0.00 0.00 179.45 178.65 1jwd h GLU 33 N 0.44 0.37 -0.27 1.90 4.81 -1.95 0.21 114.58 120.09 1jwd h GLU 33 Ca 0.12 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1jwd h GLU 33 Cb 0.01 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1jwd h GLU 33 CO -0.02 0.31 0.06 1.25 -0.73 0.00 0.00 179.01 179.88 1jwd h LEU 34 N 0.33 0.02 -0.68 1.64 7.12 0.09 -0.04 115.31 123.79 1jwd h LEU 34 Ca 0.10 0.04 0.09 0.00 0.13 0.00 0.00 57.88 58.24 1jwd h LEU 34 Cb 0.04 0.05 -0.07 0.00 -0.53 0.00 0.00 40.66 40.15 1jwd h LEU 34 CO -0.02 0.05 0.33 0.50 -0.13 0.00 0.00 178.44 179.17 1jwd h LYS 35 N 0.16 0.56 -0.07 1.25 3.64 -0.43 -0.06 116.57 121.62 1jwd h LYS 35 Ca 0.13 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1jwd h LYS 35 Cb 0.13 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1jwd h LYS 35 CO -0.16 0.37 -0.17 1.49 -2.27 0.00 0.00 179.45 178.70 1jwd h GLU 36 N 0.57 -0.24 -0.59 1.90 4.81 -0.14 0.14 114.58 121.03 1jwd h GLU 36 Ca 0.34 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.69 1jwd h GLU 36 Cb 0.35 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.67 1jwd h GLU 36 CO -0.27 -0.16 -0.31 1.25 -0.73 0.00 0.00 179.01 178.80 1jwd h LEU 37 N -0.25 -1.07 -0.44 1.64 6.46 -0.00 0.95 115.31 122.61 1jwd h LEU 37 Ca 0.08 0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 58.03 1jwd h LEU 37 Cb 0.36 0.54 -0.02 0.00 -0.73 0.00 0.00 40.66 40.81 1jwd h LEU 37 CO -0.21 -0.29 0.15 0.40 -0.62 0.00 0.00 178.44 177.87 1jwd h ILE 38 N -0.14 1.21 -0.48 4.05 2.04 -0.25 0.16 117.51 124.10 1jwd h ILE 38 Ca 0.24 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1jwd h ILE 38 Cb 0.54 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1jwd h ILE 38 CO -0.67 0.25 0.25 1.56 0.00 0.00 0.00 178.15 179.54 1jwd h GLN 39 N 0.56 0.67 0.14 2.37 1.08 0.01 0.26 115.11 120.20 1jwd h GLN 39 Ca 0.14 -0.08 -0.24 0.00 -1.45 0.00 0.00 58.65 57.02 1jwd h GLN 39 Cb 0.24 -0.13 0.03 0.00 -0.05 0.00 0.00 27.48 27.56 1jwd h GLN 39 CO -0.01 0.54 -1.03 -0.22 -0.95 0.00 0.00 178.83 177.16 1jwd h LYS 40 N 0.63 0.44 0.00 1.46 1.63 -0.66 -2.85 116.57 117.23 1jwd h LYS 40 Ca 0.17 -0.67 -0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1jwd h LYS 40 Cb 0.07 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1jwd h LYS 40 CO -0.03 1.30 -0.00 0.93 -3.45 0.00 0.00 179.45 178.20 1jwd h GLU 41 N -0.07 -0.00 0.07 1.90 4.39 -0.71 -3.41 114.58 116.74 1jwd h GLU 41 Ca -0.17 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 1jwd h GLU 41 Cb 1.77 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.43 1jwd h GLU 41 CO 0.20 -0.00 -0.43 -0.07 -1.16 0.00 0.00 179.01 177.55 1jwd h LEU 42 N -0.99 0.23 -2.48 1.33 3.38 -0.70 -3.49 115.31 112.59 1jwd h LEU 42 Ca -0.00 -0.97 -0.12 0.00 0.09 0.00 0.00 57.88 56.88 1jwd h LEU 42 Cb 0.00 -0.07 0.10 0.00 0.09 0.00 0.00 40.66 40.77 1jwd h LEU 42 CO 0.00 1.20 -0.41 0.41 0.09 0.00 0.00 178.44 179.73 1jwd n THR 43 N -4.37 -8.73 0.24 0.22 -1.04 -0.22 -4.89 114.28 95.49 1jwd n THR 43 Ca -0.12 -0.75 0.07 0.00 -2.04 0.00 0.00 64.05 61.21 1jwd n THR 43 Cb 0.65 -6.35 0.33 0.00 -1.82 0.00 0.00 70.33 63.14 1jwd n THR 43 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1jwd n ILE 44 N -2.41 1.28 0.00 12.58 -0.00 -1.26 -4.87 119.36 124.68 1jwd n ILE 44 Ca -0.03 0.45 0.00 0.00 -0.00 0.00 0.00 62.75 63.17 1jwd n ILE 44 Cb 0.56 -1.38 0.00 0.00 -0.00 0.00 0.00 39.64 38.81 1jwd n ILE 44 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1jwd n GLY 45 N -0.81 1.50 3.56 3.28 0.00 -1.26 -4.76 105.19 106.71 1jwd n GLY 45 Ca 0.01 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.69 5.33 0.06 1.61 0.01 -1.26 -4.81 113.70 113.95 1jwd s SER 46 Ca 0.00 -1.03 0.03 0.00 1.31 0.00 0.00 55.95 56.27 1jwd s SER 46 Cb 0.00 -2.57 0.19 0.00 0.21 0.00 0.00 66.02 63.85 1jwd s SER 46 CO 0.00 -2.62 1.04 0.29 0.41 0.00 0.00 173.24 172.35 1jwd n LYS 47 N 8.72 0.02 -0.34 12.44 5.02 -1.26 -0.79 118.16 141.98 1jwd n LYS 47 Ca 0.41 0.46 0.23 0.00 -2.02 0.00 0.00 58.31 57.38 1jwd n LYS 47 Cb 0.47 -1.66 0.49 0.00 -0.02 0.00 0.00 35.03 34.32 1jwd n LYS 47 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1jwd h LEU 48 N 0.00 0.48 -1.62 -0.35 6.46 -1.98 0.68 115.31 118.98 1jwd h LEU 48 Ca 0.00 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1jwd h LEU 48 Cb 0.17 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1jwd h LEU 48 CO 0.00 0.05 0.00 1.56 -0.62 0.00 0.00 178.44 179.43 1jwd h GLN 49 N 0.40 0.00 -1.01 1.25 4.20 -1.36 -3.28 115.11 115.31 1jwd h GLN 49 Ca 0.63 0.00 0.24 0.00 0.06 0.00 0.00 58.65 59.59 1jwd h GLN 49 Cb 1.55 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 29.22 1jwd h GLN 49 CO -0.36 0.00 0.61 -0.44 -0.67 0.00 0.00 178.83 177.97 1jwd h ASP 50 N 0.00 0.64 -0.42 1.46 5.19 -1.09 0.46 116.42 122.67 1jwd h ASP 50 Ca 0.00 0.12 0.08 0.00 -0.62 0.00 0.00 57.03 56.61 1jwd h ASP 50 Cb 0.05 0.02 -0.07 0.00 0.18 0.00 0.00 39.33 39.52 1jwd h ASP 50 CO 0.00 0.12 0.01 0.00 -3.12 0.00 0.00 179.24 176.25 1jwd h ALA 51 N 1.70 0.40 -0.37 3.45 0.00 -1.81 0.18 119.26 122.81 1jwd h ALA 51 Ca 0.63 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.65 1jwd h ALA 51 Cb 1.25 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1jwd h ALA 51 CO -0.43 -0.38 0.21 0.93 0.00 0.00 0.00 179.25 179.57 1jwd h GLU 52 N 0.12 0.51 -0.45 0.00 4.39 -0.44 -0.73 114.58 117.98 1jwd h GLU 52 Ca 0.21 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.91 1jwd h GLU 52 Cb 0.30 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 1jwd h GLU 52 CO -0.34 0.41 0.15 0.82 -1.16 0.00 0.00 179.01 178.89 1jwd h ILE 53 N 0.47 0.85 -0.06 3.13 1.08 -0.21 0.67 117.51 123.44 1jwd h ILE 53 Ca 0.13 -0.11 -0.14 0.00 -0.39 0.00 0.00 64.86 64.35 1jwd h ILE 53 Cb 0.04 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 1jwd h ILE 53 CO -0.02 0.06 -0.59 -0.37 -0.69 0.00 0.00 178.15 176.53 1jwd h VAL 54 N 0.32 1.39 0.08 1.67 -1.51 -0.32 0.35 116.25 118.23 1jwd h VAL 54 Ca 0.21 -1.97 -0.00 0.00 -1.23 0.00 0.00 66.70 63.71 1jwd h VAL 54 Cb 0.22 2.01 -0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1jwd h VAL 54 CO -0.22 0.58 -0.05 0.50 -1.23 0.00 0.00 177.57 177.14 1jwd h LYS 55 N 0.14 -0.13 -0.68 5.19 1.63 -0.73 0.90 116.57 122.89 1jwd h LYS 55 Ca -0.01 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.89 1jwd h LYS 55 Cb 1.08 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.68 1jwd h LYS 55 CO 0.09 -0.09 0.34 1.25 -3.45 0.00 0.00 179.45 177.59 1jwd h LEU 56 N -0.14 0.44 0.03 5.20 6.46 -0.53 0.93 115.31 127.69 1jwd h LEU 56 Ca -0.01 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1jwd h LEU 56 Cb 0.12 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1jwd h LEU 56 CO 0.00 0.26 -0.09 -0.03 -0.62 0.00 0.00 178.44 177.97 1jwd h MET 57 N 0.59 -0.16 -0.41 1.25 4.05 -0.05 0.99 114.93 121.19 1jwd h MET 57 Ca 0.33 0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.84 1jwd h MET 57 Cb 0.33 0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 31.09 1jwd h MET 57 CO -0.25 -0.11 -0.05 0.22 0.23 0.00 0.00 176.91 176.95 1jwd h ASP 58 N -0.17 -0.28 -0.82 1.39 3.58 -0.16 0.18 116.42 120.15 1jwd h ASP 58 Ca 0.03 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1jwd h ASP 58 Cb 0.20 0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 1jwd h ASP 58 CO -0.07 -0.09 0.53 0.44 -2.88 0.00 0.00 179.24 177.16 1jwd h ASP 59 N 0.05 0.95 0.18 2.28 3.32 -0.16 0.21 116.42 123.25 1jwd h ASP 59 Ca 0.20 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1jwd h ASP 59 Cb 0.30 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1jwd h ASP 59 CO -0.38 0.70 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.68 1jwd h LEU 60 N 1.11 -0.20 -0.54 1.55 3.38 0.05 -3.34 115.31 117.32 1jwd h LEU 60 Ca 0.30 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 1jwd h LEU 60 Cb -0.11 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1jwd h LEU 60 CO -0.06 0.15 -0.65 -2.24 0.09 0.00 0.00 178.44 175.73 1jwd h ASP 61 N -0.58 0.36 -0.94 -0.43 3.04 -0.36 -3.32 116.42 114.20 1jwd h ASP 61 Ca -0.02 -0.22 0.16 0.00 -3.24 0.00 0.00 57.03 53.70 1jwd h ASP 61 Cb 0.43 -0.11 -0.08 0.00 -1.04 0.00 0.00 39.33 38.54 1jwd h ASP 61 CO 0.04 0.91 0.60 -0.09 -2.04 0.00 0.00 179.24 178.66 1jwd h ARG 62 N 0.22 0.70 -1.00 4.15 9.65 -0.62 0.53 114.38 128.02 1jwd h ARG 62 Ca -0.01 -0.04 0.27 0.00 -1.10 0.00 0.00 59.98 59.09 1jwd h ARG 62 Cb 1.19 -0.16 -0.06 0.00 -1.39 0.00 0.00 29.97 29.55 1jwd h ARG 62 CO 0.11 0.47 0.69 -0.91 2.80 0.00 0.00 179.97 183.12 1jwd h ASN 63 N 0.72 0.20 -1.73 -3.80 2.35 -1.75 -0.17 115.58 111.42 1jwd h ASN 63 Ca 0.49 0.03 -0.46 0.00 -0.55 0.00 0.00 56.30 55.81 1jwd h ASN 63 Cb 0.78 -0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.74 1jwd h ASN 63 CO -0.25 0.06 -1.13 1.17 -1.65 0.00 0.00 177.43 175.63 1jwd n LYS 64 N -4.40 1.31 0.00 0.81 3.00 0.05 -5.06 118.16 113.88 1jwd n LYS 64 Ca 0.22 -3.52 0.00 0.00 -0.00 0.00 0.00 58.31 55.01 1jwd n LYS 64 Cb 0.95 -1.65 0.00 0.00 0.00 0.00 0.00 35.03 34.33 1jwd n LYS 64 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1jwd n ASP 65 N 0.11 0.00 -0.01 3.14 5.68 -0.08 -0.70 116.55 124.69 1jwd n ASP 65 Ca 0.22 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.36 1jwd n ASP 65 Cb 0.68 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.52 1jwd n ASP 65 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1jwd n GLN 66 N 0.00 0.70 -3.31 0.11 7.27 -1.26 -3.48 117.38 117.41 1jwd n GLN 66 Ca 0.00 0.27 -0.39 0.00 0.07 0.00 0.00 57.00 56.95 1jwd n GLN 66 Cb 0.00 -1.74 -0.07 0.00 2.41 0.00 0.00 30.24 30.84 1jwd n GLN 66 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1jwd s GLU 67 N -2.57 4.17 -0.98 3.69 8.01 0.12 -3.57 118.70 127.57 1jwd s GLU 67 Ca -0.14 0.31 -0.24 0.00 0.01 0.00 0.00 54.97 54.91 1jwd s GLU 67 Cb 0.07 -3.56 0.04 0.00 -4.31 0.00 0.00 34.13 26.38 1jwd s GLU 67 CO 0.79 -0.11 1.47 0.08 0.01 0.00 0.00 175.26 177.51 1jwd s VAL 68 N 1.52 3.86 0.36 2.63 1.01 0.12 -3.81 120.40 126.10 1jwd s VAL 68 Ca 0.21 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.34 1jwd s VAL 68 Cb -0.15 -4.96 -0.10 0.00 0.00 0.00 0.00 36.38 31.17 1jwd s VAL 68 CO 0.09 -1.85 1.00 0.21 0.00 0.00 0.00 175.10 174.55 1jwd s ASN 69 N 5.10 7.04 0.15 3.32 2.47 -1.26 -0.86 114.94 130.90 1jwd s ASN 69 Ca 0.47 1.94 -0.29 0.00 0.42 0.00 0.00 52.86 55.40 1jwd s ASN 69 Cb -0.01 -2.58 -0.03 0.00 -1.45 0.00 0.00 41.25 37.17 1jwd s ASN 69 CO -0.07 -0.29 1.56 0.15 -3.72 0.00 0.00 177.10 174.74 1jwd h PHE 70 N 2.81 -1.46 -0.42 0.43 3.57 -1.22 0.15 116.94 120.80 1jwd h PHE 70 Ca -0.48 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 1jwd h PHE 70 Cb 1.20 0.71 -0.02 0.00 2.79 0.00 0.00 35.95 40.63 1jwd h PHE 70 CO 0.60 -0.45 0.19 0.37 -2.23 0.00 0.00 178.31 176.78 1jwd h GLN 71 N -0.31 0.59 -0.49 1.11 4.15 -1.93 -0.59 115.11 117.64 1jwd h GLN 71 Ca 0.13 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.35 1jwd h GLN 71 Cb 0.58 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1jwd h GLN 71 CO -0.64 0.48 -0.20 0.93 -1.93 0.00 0.00 178.83 177.47 1jwd h GLU 72 N 0.59 0.99 -0.00 1.69 3.07 -1.38 0.14 114.58 119.67 1jwd h GLU 72 Ca 0.15 -0.41 0.03 0.00 -0.50 0.00 0.00 59.36 58.62 1jwd h GLU 72 Cb 0.09 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.93 1jwd h GLU 72 CO -0.02 1.09 -0.18 -0.92 -1.40 0.00 0.00 179.01 177.58 1jwd h TYR 73 N 0.86 -0.48 0.02 4.33 3.20 0.04 0.19 116.97 125.12 1jwd h TYR 73 Ca 0.11 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1jwd h TYR 73 Cb 0.77 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 1jwd h TYR 73 CO 0.05 -0.27 -0.14 0.82 -1.64 0.00 0.00 178.16 176.99 1jwd h ILE 74 N -0.30 0.66 -0.43 1.81 1.08 -0.76 0.11 117.51 119.69 1jwd h ILE 74 Ca 0.06 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.61 1jwd h ILE 74 Cb 0.37 0.66 -0.07 0.00 -3.07 0.00 0.00 36.82 34.72 1jwd h ILE 74 CO -0.18 0.00 0.01 0.74 -0.69 0.00 0.00 178.15 178.03 1jwd h THR 75 N -0.24 0.68 -0.51 -0.27 2.02 -0.58 0.90 112.91 114.90 1jwd h THR 75 Ca 0.04 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1jwd h THR 75 Cb 0.29 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1jwd h THR 75 CO -0.12 0.02 0.26 0.15 0.37 0.00 0.00 175.52 176.20 1jwd h PHE 76 N 0.12 0.72 -0.67 3.16 3.04 -0.25 0.89 116.94 123.95 1jwd h PHE 76 Ca 0.21 -0.03 0.08 0.00 3.98 0.00 0.00 57.97 62.21 1jwd h PHE 76 Cb 0.31 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.55 1jwd h PHE 76 CO -0.28 0.55 0.44 -0.07 -2.02 0.00 0.00 178.31 176.93 1jwd h LEU 77 N 0.68 0.55 -0.05 0.59 3.38 0.12 0.30 115.31 120.87 1jwd h LEU 77 Ca 0.18 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1jwd h LEU 77 Cb 0.08 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1jwd h LEU 77 CO -0.03 0.35 -0.07 1.23 0.09 0.00 0.00 178.44 180.02 1jwd h GLY 78 N 0.62 -0.02 0.67 0.83 0.00 0.81 0.15 103.07 106.13 1jwd h GLY 78 Ca 0.29 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.75 1jwd h GLY 78 CO -0.09 -0.08 0.13 0.00 0.00 0.00 0.00 176.54 176.50 1jwd h ALA 79 N 0.95 0.44 -0.34 3.60 0.00 0.99 0.11 119.26 125.01 1jwd h ALA 79 Ca 0.05 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1jwd h ALA 79 Cb 0.15 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1jwd h ALA 79 CO -0.11 -0.26 -0.05 1.25 0.00 0.00 0.00 179.25 180.09 1jwd h LEU 80 N 0.29 -0.24 -0.60 0.00 5.85 -0.28 0.19 115.31 120.52 1jwd h LEU 80 Ca 0.17 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1jwd h LEU 80 Cb 0.15 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1jwd h LEU 80 CO -0.18 -0.08 0.36 0.00 -0.34 0.00 0.00 178.44 178.20 1jwd h ALA 81 N 1.32 0.79 -0.63 1.25 0.00 -0.21 0.14 119.26 121.92 1jwd h ALA 81 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1jwd h ALA 81 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1jwd h ALA 81 CO -0.32 0.08 0.15 1.98 0.00 0.00 0.00 179.25 181.13 1jwd h MET 82 N 0.70 1.01 -0.72 0.00 1.85 0.18 -2.40 114.93 115.55 1jwd h MET 82 Ca 0.25 -0.25 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1jwd h MET 82 Cb 0.06 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 31.92 1jwd h MET 82 CO -0.12 0.92 0.40 0.82 -0.40 0.00 0.00 176.91 178.53 1jwd h ILE 83 N 0.92 1.22 0.00 1.77 2.04 -0.28 -2.75 117.51 120.43 1jwd h ILE 83 Ca 0.20 -0.53 -0.34 0.00 1.00 0.00 0.00 64.86 65.19 1jwd h ILE 83 Cb 0.37 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1jwd h ILE 83 CO 0.00 0.24 2.07 -1.22 0.00 0.00 0.00 178.15 179.24 1jwd n TYR 84 N -4.49 1.11 -0.15 1.37 4.01 0.45 -4.68 117.16 114.77 1jwd n TYR 84 Ca 0.06 -1.79 0.10 0.00 -0.16 0.00 0.00 57.90 56.10 1jwd n TYR 84 Cb 0.08 -1.60 0.42 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 5.70 0.53 -0.86 7.72 -0.73 -1.57 0.32 115.58 126.69 1jwd h ASN 85 Ca 0.43 0.01 0.21 0.00 1.87 0.00 0.00 56.30 58.83 1jwd h ASN 85 Cb 0.35 -0.10 -0.13 0.00 0.27 0.00 0.00 38.32 38.71 1jwd h ASN 85 CO 1.20 0.32 0.31 -0.08 -0.37 0.00 0.00 177.43 178.82 1jwd h GLU 86 N 0.59 0.31 -0.85 6.67 4.81 -1.89 0.58 114.58 124.81 1jwd h GLU 86 Ca 0.32 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1jwd h GLU 86 Cb 0.45 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 1jwd h GLU 86 CO -0.11 0.21 0.46 0.00 -0.73 0.00 0.00 179.01 178.84 1jwd h ALA 87 N 1.71 1.20 0.12 2.92 0.00 -0.67 0.26 119.26 124.81 1jwd h ALA 87 Ca 0.53 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1jwd h ALA 87 Cb 1.01 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1jwd h ALA 87 CO -0.56 0.64 -0.06 -0.07 0.00 0.00 0.00 179.25 179.20 1jwd h LEU 88 N 1.20 -0.14 -1.33 0.00 3.38 -0.94 -2.69 115.31 114.78 1jwd h LEU 88 Ca 0.30 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.26 1jwd h LEU 88 Cb 0.04 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1jwd h LEU 88 CO -0.05 0.00 0.51 0.11 0.09 0.00 0.00 178.44 179.10 1jwd h LYS 89 N -0.28 0.76 0.00 1.13 6.56 -0.83 -3.52 116.57 120.39 1jwd h LYS 89 Ca -0.02 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1jwd h LYS 89 Cb 0.22 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 1jwd h LYS 89 CO 0.03 0.50 0.00 0.41 -2.06 0.00 0.00 179.45 178.33