#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 -0.33 3.17 0.00 -1.26 -4.65 120.51 117.43 1jwd n ALA 2 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1jwd n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1jwd n ALA 2 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1jwd n SER 3 N 1.75 -0.73 -0.30 0.00 3.41 -1.26 -0.48 113.62 116.02 1jwd n SER 3 Ca 0.00 1.46 -0.03 0.00 -0.26 0.00 0.00 58.87 60.04 1jwd n SER 3 Cb 0.00 -0.25 0.09 0.00 -0.26 0.00 0.00 64.21 63.79 1jwd n SER 3 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1jwd h PRO 4 N 0.00 1.02 0.16 4.33 0.13 -2.01 0.13 132.00 135.75 1jwd h PRO 4 Ca 0.20 -0.06 -0.23 0.00 -0.87 0.00 0.00 66.00 65.04 1jwd h PRO 4 Cb 0.41 -0.23 0.02 0.00 0.13 0.00 0.00 31.00 31.33 1jwd h PRO 4 CO -0.80 0.68 -1.03 1.25 -0.23 0.00 0.00 178.00 177.87 1jwd h LEU 5 N 1.05 0.52 -0.84 1.56 5.85 -1.77 -3.35 115.31 118.33 1jwd h LEU 5 Ca 0.31 -0.93 0.15 0.00 0.84 0.00 0.00 57.88 58.25 1jwd h LEU 5 Cb -0.05 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 40.71 1jwd h LEU 5 CO -0.09 1.49 0.42 0.44 -0.34 0.00 0.00 178.44 180.36 1jwd h ASP 6 N -0.27 0.50 -0.67 1.25 5.19 -0.49 0.14 116.42 122.06 1jwd h ASP 6 Ca -0.19 0.09 0.04 0.00 -0.62 0.00 0.00 57.03 56.36 1jwd h ASP 6 Cb 1.75 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 41.24 1jwd h ASP 6 CO 0.16 0.20 0.41 0.06 -3.12 0.00 0.00 179.24 176.95 1jwd h GLN 7 N 0.60 0.76 0.33 3.56 -0.00 -1.12 0.26 115.11 119.49 1jwd h GLN 7 Ca 0.46 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 59.05 1jwd h GLN 7 Cb 0.66 -0.17 0.00 0.00 -0.00 0.00 0.00 27.48 27.97 1jwd h GLN 7 CO -0.37 0.50 -0.16 0.00 -0.00 0.00 0.00 178.83 178.80 1jwd h ALA 8 N 1.31 -0.44 -0.82 0.06 0.00 -0.91 0.36 119.26 118.83 1jwd h ALA 8 Ca 0.28 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1jwd h ALA 8 Cb 0.08 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1jwd h ALA 8 CO -0.13 -0.57 0.54 -0.84 0.00 0.00 0.00 179.25 178.25 1jwd h ILE 9 N -0.80 1.20 -0.93 0.00 3.07 -1.21 -0.93 117.51 117.92 1jwd h ILE 9 Ca -0.04 -0.38 0.20 0.00 1.55 0.00 0.00 64.86 66.19 1jwd h ILE 9 Cb 0.52 0.00 -0.11 0.00 -0.27 0.00 0.00 36.82 36.95 1jwd h ILE 9 CO 0.07 0.20 0.50 1.23 -1.05 0.00 0.00 178.15 179.10 1jwd h GLY 10 N 1.10 1.63 0.96 0.16 0.00 -0.29 -0.51 103.07 106.12 1jwd h GLY 10 Ca 0.31 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 1jwd h GLY 10 CO -0.07 -0.15 -0.46 -2.00 0.00 0.00 0.00 176.54 173.85 1jwd h LEU 11 N 0.58 -1.09 -0.60 3.11 7.12 0.11 0.23 115.31 124.77 1jwd h LEU 11 Ca 0.56 0.04 0.12 0.00 0.13 0.00 0.00 57.88 58.72 1jwd h LEU 11 Cb 0.95 0.28 -0.09 0.00 -0.53 0.00 0.00 40.66 41.27 1jwd h LEU 11 CO -0.44 -0.76 0.10 -0.07 -0.13 0.00 0.00 178.44 177.14 1jwd h LEU 12 N -1.32 -0.05 0.20 2.25 4.07 -1.09 0.64 115.31 120.01 1jwd h LEU 12 Ca -0.13 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1jwd h LEU 12 Cb 0.99 0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.90 1jwd h LEU 12 CO 0.22 -0.01 -0.12 0.40 -1.08 0.00 0.00 178.44 177.84 1jwd h ILE 13 N 0.23 0.75 0.15 1.22 2.04 -0.97 -0.93 117.51 120.00 1jwd h ILE 13 Ca 0.31 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.18 1jwd h ILE 13 Cb 0.48 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1jwd h ILE 13 CO -0.42 0.00 -0.19 1.23 0.00 0.00 0.00 178.15 178.77 1jwd h GLY 14 N -0.31 -0.38 -0.05 5.37 0.00 0.18 0.14 103.07 108.02 1jwd h GLY 14 Ca -0.02 0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.59 1jwd h GLY 14 CO 0.02 -0.18 -0.34 -2.22 0.00 0.00 0.00 176.54 173.82 1jwd h ILE 15 N -0.39 0.23 0.52 2.60 2.04 -0.85 -0.84 117.51 120.82 1jwd h ILE 15 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1jwd h ILE 15 Cb 0.39 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1jwd h ILE 15 CO -0.07 0.00 -0.37 0.15 0.00 0.00 0.00 178.15 177.85 1jwd h PHE 16 N -0.32 -1.00 0.00 1.37 3.57 -0.64 -2.24 116.94 117.68 1jwd h PHE 16 Ca 0.14 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 1jwd h PHE 16 Cb 0.55 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 1jwd h PHE 16 CO -0.50 -0.55 -0.54 1.25 -2.23 0.00 0.00 178.31 175.75 1jwd h HIS 17 N -0.86 0.00 0.14 0.41 2.76 -0.60 0.13 115.15 117.12 1jwd h HIS 17 Ca -0.06 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 1jwd h HIS 17 Cb 0.73 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1jwd h HIS 17 CO -0.14 0.54 -0.07 0.87 -1.30 0.00 0.00 177.93 177.83 1jwd h LYS 18 N 0.00 -0.18 -0.91 5.26 1.57 -1.11 0.14 116.57 121.35 1jwd h LYS 18 Ca -0.01 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1jwd h LYS 18 Cb 1.05 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.35 1jwd h LYS 18 CO 0.07 -0.06 0.60 1.88 -0.57 0.00 0.00 179.45 181.38 1jwd h TYR 19 N -0.26 1.12 0.05 -1.35 0.05 -0.82 0.93 116.97 116.69 1jwd h TYR 19 Ca -0.02 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1jwd h TYR 19 Cb 0.20 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 37.57 1jwd h TYR 19 CO -0.05 0.67 -0.02 0.77 -1.05 0.00 0.00 178.16 178.48 1jwd h SER 20 N 1.17 -0.06 -0.99 3.88 0.02 -0.60 -2.80 113.55 114.18 1jwd h SER 20 Ca 0.35 -0.12 0.17 0.00 -0.84 0.00 0.00 61.79 61.36 1jwd h SER 20 Cb -0.03 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.42 1jwd h SER 20 CO -0.10 0.08 0.62 1.23 -1.14 0.00 0.00 176.83 177.52 1jwd h GLY 21 N -0.19 1.66 0.27 -3.77 0.00 -0.11 0.67 103.07 101.60 1jwd h GLY 21 Ca -0.01 -0.36 0.21 0.00 0.00 0.00 0.00 47.33 47.17 1jwd h GLY 21 CO 0.01 -0.00 0.60 1.70 0.00 0.00 0.00 176.54 178.85 1jwd h LYS 22 N 0.78 0.38 -0.34 4.80 3.64 -0.55 0.11 116.57 125.40 1jwd h LYS 22 Ca 0.55 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.85 1jwd h LYS 22 Cb 0.83 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1jwd h LYS 22 CO -0.33 0.25 0.02 -0.85 -2.27 0.00 0.00 179.45 176.27 1jwd n GLU 23 N -4.51 2.87 -2.44 1.90 0.28 -0.34 -4.96 120.64 113.44 1jwd n GLU 23 Ca 0.20 -2.94 -0.15 0.00 -0.16 0.00 0.00 57.16 54.11 1jwd n GLU 23 Cb 0.72 -1.89 -0.01 0.00 1.43 0.00 0.00 31.44 31.69 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 -0.55 -0.50 3.93 -1.84 0.00 0.38 -4.98 105.19 101.63 1jwd n GLY 24 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 1jwd n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jwd s ASP 25 N -2.05 6.35 0.00 1.61 -1.08 0.08 -4.94 116.67 116.65 1jwd s ASP 25 Ca 0.01 0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.25 1jwd s ASP 25 Cb -0.00 -1.93 0.00 0.00 -1.46 0.00 0.00 42.92 39.52 1jwd s ASP 25 CO 0.01 0.09 0.00 1.17 0.52 0.00 0.00 175.17 176.96 1jwd n LYS 26 N -0.24 0.00 -0.67 4.34 3.00 -1.26 -3.08 118.16 120.25 1jwd n LYS 26 Ca -0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.20 1jwd n LYS 26 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.53 1jwd n LYS 26 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1jwd n HIS 27 N 0.00 0.26 -3.70 5.64 8.25 -1.26 -4.72 115.22 119.69 1jwd n HIS 27 Ca 0.00 -1.24 -0.14 0.00 -0.26 0.00 0.00 57.72 56.08 1jwd n HIS 27 Cb 0.00 -0.77 -0.09 0.00 1.12 0.00 0.00 29.99 30.25 1jwd n HIS 27 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1jwd s THR 28 N -0.21 0.01 0.23 1.59 2.01 -1.26 -1.35 115.64 116.66 1jwd s THR 28 Ca 0.17 -0.10 0.09 0.00 0.31 0.00 0.00 61.69 62.16 1jwd s THR 28 Cb 0.10 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1jwd s THR 28 CO -0.01 -0.05 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.10 1jwd s LEU 29 N -0.24 3.20 0.44 4.42 1.43 0.31 -4.69 118.68 123.55 1jwd s LEU 29 Ca -0.04 -0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 52.41 1jwd s LEU 29 Cb -0.03 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 1jwd s LEU 29 CO 0.02 0.04 0.78 -0.94 0.23 0.00 0.00 176.35 176.49 1jwd s SER 30 N -3.33 6.43 0.27 2.29 1.04 -1.26 -0.25 113.70 118.89 1jwd s SER 30 Ca 0.29 1.08 -0.02 0.00 0.48 0.00 0.00 55.95 57.78 1jwd s SER 30 Cb -0.08 -2.30 0.45 0.00 0.10 0.00 0.00 66.02 64.19 1jwd s SER 30 CO 0.19 -0.47 1.86 0.07 0.98 0.00 0.00 173.24 175.87 1jwd h LYS 31 N 0.88 1.04 -0.11 4.02 -0.00 -1.34 0.74 116.57 121.81 1jwd h LYS 31 Ca -0.47 -0.06 -0.21 0.00 -0.00 0.00 0.00 60.65 59.90 1jwd h LYS 31 Cb 1.19 -0.24 0.01 0.00 -0.00 0.00 0.00 32.23 33.19 1jwd h LYS 31 CO 0.63 0.69 -0.79 -0.22 -0.00 0.00 0.00 179.45 179.76 1jwd h LYS 32 N 1.07 0.65 -0.58 0.07 3.11 -1.95 0.22 116.57 119.17 1jwd h LYS 32 Ca 0.45 -0.55 -0.01 0.00 -2.81 0.00 0.00 60.65 57.73 1jwd h LYS 32 Cb 0.29 0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.61 1jwd h LYS 32 CO -0.21 1.17 0.32 1.49 -2.81 0.00 0.00 179.45 179.40 1jwd h GLU 33 N 0.43 0.82 -0.42 1.90 4.57 -1.77 0.60 114.58 120.71 1jwd h GLU 33 Ca -0.05 -0.10 0.08 0.00 -1.18 0.00 0.00 59.36 58.11 1jwd h GLU 33 Cb 1.41 -0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 29.76 1jwd h GLU 33 CO 0.15 0.63 -0.04 1.25 -1.18 0.00 0.00 179.01 179.82 1jwd h LEU 34 N 0.79 -0.26 -0.76 1.64 7.12 -0.78 0.11 115.31 123.17 1jwd h LEU 34 Ca 0.21 0.11 0.11 0.00 0.13 0.00 0.00 57.88 58.44 1jwd h LEU 34 Cb 0.05 0.21 -0.08 0.00 -0.53 0.00 0.00 40.66 40.31 1jwd h LEU 34 CO -0.03 -0.09 0.38 0.50 -0.13 0.00 0.00 178.44 179.07 1jwd h LYS 35 N 0.07 0.59 -0.29 1.25 3.64 0.49 0.41 116.57 122.72 1jwd h LYS 35 Ca 0.21 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1jwd h LYS 35 Cb 0.31 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1jwd h LYS 35 CO -0.38 0.39 0.17 1.49 -2.27 0.00 0.00 179.45 178.85 1jwd h GLU 36 N 0.60 0.40 -0.44 1.90 4.22 0.04 0.43 114.58 121.72 1jwd h GLU 36 Ca 0.39 -0.04 0.09 0.00 0.08 0.00 0.00 59.36 59.88 1jwd h GLU 36 Cb 0.47 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.54 1jwd h GLU 36 CO -0.31 0.31 -0.26 1.25 -2.18 0.00 0.00 179.01 177.82 1jwd h LEU 37 N 0.37 -0.89 0.12 1.64 6.46 0.48 0.52 115.31 124.01 1jwd h LEU 37 Ca 0.10 0.18 0.01 0.00 -0.12 0.00 0.00 57.88 58.06 1jwd h LEU 37 Cb 0.02 0.45 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1jwd h LEU 37 CO -0.02 -0.28 -0.16 0.40 -0.62 0.00 0.00 178.44 177.76 1jwd h ILE 38 N -0.17 0.63 -0.98 4.05 2.04 -0.68 0.45 117.51 122.85 1jwd h ILE 38 Ca 0.20 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.18 1jwd h ILE 38 Cb 0.50 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.12 1jwd h ILE 38 CO -0.55 0.00 0.62 1.56 0.00 0.00 0.00 178.15 179.79 1jwd h GLN 39 N -0.33 0.93 0.08 2.37 1.08 0.33 0.50 115.11 120.08 1jwd h GLN 39 Ca 0.02 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1jwd h GLN 39 Cb 0.34 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1jwd h GLN 39 CO -0.08 0.62 -0.04 -0.22 -0.95 0.00 0.00 178.83 178.16 1jwd h LYS 40 N 0.96 -0.11 0.14 1.46 1.63 -0.73 -3.37 116.57 116.55 1jwd h LYS 40 Ca 0.49 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.29 1jwd h LYS 40 Cb 0.50 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1jwd h LYS 40 CO -0.25 0.43 -0.07 0.93 -3.45 0.00 0.00 179.45 177.04 1jwd h GLU 41 N -0.87 -0.18 -4.36 1.90 4.39 -0.54 -3.38 114.58 111.55 1jwd h GLU 41 Ca -0.01 0.01 -0.73 0.00 0.34 0.00 0.00 59.36 58.97 1jwd h GLU 41 Cb 0.59 0.04 -0.14 0.00 -0.10 0.00 0.00 28.75 29.14 1jwd h GLU 41 CO 0.02 -0.12 1.94 1.28 -1.16 0.00 0.00 179.01 180.97 1jwd n LEU 42 N -3.70 5.91 -4.04 1.33 4.77 0.17 -4.89 117.00 116.55 1jwd n LEU 42 Ca -0.02 -4.41 -0.36 0.00 -0.03 0.00 0.00 56.01 51.18 1jwd n LEU 42 Cb 0.07 -1.59 -0.07 0.00 -2.33 0.00 0.00 43.42 39.50 1jwd n LEU 42 CO 0.05 0.93 1.76 0.35 -1.33 0.00 0.00 177.39 179.15 1jwd n THR 43 N 4.45 1.57 -0.91 -5.08 -2.24 -1.25 -4.47 114.28 106.34 1jwd n THR 43 Ca 0.41 -1.50 -0.33 0.00 -2.27 0.00 0.00 64.05 60.36 1jwd n THR 43 Cb 0.40 -2.21 0.12 0.00 -2.10 0.00 0.00 70.33 66.54 1jwd n THR 43 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1jwd n ILE 44 N 6.98 0.66 -1.52 2.28 -5.35 -1.26 -4.71 119.36 116.44 1jwd n ILE 44 Ca 0.47 -0.20 -0.30 0.00 -0.27 0.00 0.00 62.75 62.45 1jwd n ILE 44 Cb 0.43 -0.80 -0.13 0.00 -1.74 0.00 0.00 39.64 37.40 1jwd n ILE 44 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jwd n GLY 45 N 1.16 -0.27 2.97 3.28 0.00 -1.26 -0.91 105.19 110.16 1jwd n GLY 45 Ca 0.09 0.61 -0.15 0.00 0.00 0.00 0.00 46.02 46.58 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 12.04 -2.57 -2.35 1.61 7.64 -1.26 -0.76 113.62 127.96 1jwd n SER 46 Ca 0.56 -0.03 -0.10 0.00 1.01 0.00 0.00 58.87 60.31 1jwd n SER 46 Cb 0.25 -2.22 -0.01 0.00 -1.01 0.00 0.00 64.21 61.22 1jwd n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1jwd n LYS 47 N -3.10 -2.25 0.10 1.43 5.02 -0.09 -4.85 118.16 114.42 1jwd n LYS 47 Ca -0.03 0.51 -0.05 0.00 -2.02 0.00 0.00 58.31 56.73 1jwd n LYS 47 Cb 0.53 -5.06 0.05 0.00 -0.02 0.00 0.00 35.03 30.53 1jwd n LYS 47 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1jwd h LEU 48 N 0.00 0.07 -2.47 -0.35 3.38 -1.20 -3.34 115.31 111.40 1jwd h LEU 48 Ca -0.24 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1jwd h LEU 48 Cb 1.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1jwd h LEU 48 CO 0.29 0.81 0.00 0.00 0.09 0.00 0.00 178.44 179.64 1jwd n GLN 49 N -3.66 0.82 -0.16 1.13 6.02 -1.26 -4.48 117.38 115.79 1jwd n GLN 49 Ca -0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.88 1jwd n GLN 49 Cb 0.74 -1.09 -0.00 0.00 1.02 0.00 0.00 30.24 30.91 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 0.83 0.76 -0.68 1.08 3.58 -1.97 -1.08 116.42 118.95 1jwd h ASP 50 Ca 0.00 -0.28 0.10 0.00 0.42 0.00 0.00 57.03 57.27 1jwd h ASP 50 Cb 0.82 -0.20 -0.07 0.00 1.72 0.00 0.00 39.33 41.59 1jwd h ASP 50 CO 0.00 0.85 0.31 0.00 -2.88 0.00 0.00 179.24 177.52 1jwd h ALA 51 N 0.94 0.93 -0.32 -0.78 0.00 -1.94 0.10 119.26 118.19 1jwd h ALA 51 Ca 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1jwd h ALA 51 Cb 0.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1jwd h ALA 51 CO 0.01 -0.11 0.16 0.93 0.00 0.00 0.00 179.25 180.25 1jwd h GLU 52 N 0.53 0.46 -0.26 0.00 3.07 -1.77 -0.10 114.58 116.52 1jwd h GLU 52 Ca 0.34 -0.07 0.06 0.00 -0.50 0.00 0.00 59.36 59.20 1jwd h GLU 52 Cb 0.40 -0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.16 1jwd h GLU 52 CO -0.29 0.42 -0.20 0.82 -1.40 0.00 0.00 179.01 178.36 1jwd h ILE 53 N 0.39 0.46 -0.08 3.13 1.08 -0.05 -0.09 117.51 122.34 1jwd h ILE 53 Ca 0.11 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.46 1jwd h ILE 53 Cb 0.11 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1jwd h ILE 53 CO -0.01 0.00 -0.51 -0.37 -0.69 0.00 0.00 178.15 176.57 1jwd h VAL 54 N -0.19 1.35 -0.11 1.67 -1.51 -0.34 0.48 116.25 117.59 1jwd h VAL 54 Ca 0.14 -1.76 0.03 0.00 -1.23 0.00 0.00 66.70 63.88 1jwd h VAL 54 Cb 0.41 1.85 -0.03 0.00 -2.13 0.00 0.00 31.29 31.40 1jwd h VAL 54 CO -0.37 0.52 -0.07 0.50 -1.23 0.00 0.00 177.57 176.92 1jwd h LYS 55 N 0.17 -0.06 -0.92 5.19 1.63 -0.76 0.31 116.57 122.13 1jwd h LYS 55 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1jwd h LYS 55 Cb 0.96 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.56 1jwd h LYS 55 CO 0.08 -0.04 0.59 1.25 -3.45 0.00 0.00 179.45 177.88 1jwd h LEU 56 N -0.06 1.08 -0.64 5.20 6.46 -0.29 -0.09 115.31 126.96 1jwd h LEU 56 Ca 0.07 -0.04 -0.13 0.00 -0.12 0.00 0.00 57.88 57.65 1jwd h LEU 56 Cb 0.16 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 1jwd h LEU 56 CO -0.15 0.80 -0.38 0.00 -0.62 0.00 0.00 178.44 178.09 1jwd h MET 57 N 1.26 0.64 0.29 1.25 -0.00 0.23 0.93 114.93 119.52 1jwd h MET 57 Ca 0.33 -0.32 -0.00 0.00 -0.00 0.00 0.00 59.70 59.71 1jwd h MET 57 Cb -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.48 1jwd h MET 57 CO -0.07 0.91 -0.23 0.22 -0.00 0.00 0.00 176.91 177.75 1jwd h ASP 58 N 0.53 -0.59 -0.57 -0.10 1.82 -0.59 0.14 116.42 117.06 1jwd h ASP 58 Ca 0.05 0.05 0.10 0.00 -0.39 0.00 0.00 57.03 56.84 1jwd h ASP 58 Cb 0.89 0.19 -0.08 0.00 0.68 0.00 0.00 39.33 41.01 1jwd h ASP 58 CO 0.08 -0.35 0.13 0.44 -1.61 0.00 0.00 179.24 177.93 1jwd h ASP 59 N -0.52 0.03 0.23 2.28 3.32 -0.33 0.25 116.42 121.67 1jwd h ASP 59 Ca -0.02 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1jwd h ASP 59 Cb 0.46 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1jwd h ASP 59 CO -0.01 0.03 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.27 1jwd h LEU 60 N 0.27 -0.53 -2.71 1.55 3.38 -0.73 -3.21 115.31 113.33 1jwd h LEU 60 Ca 0.30 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1jwd h LEU 60 Cb 0.42 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1jwd h LEU 60 CO -0.37 -0.27 0.02 -2.24 0.09 0.00 0.00 178.44 175.67 1jwd h ASP 61 N -0.41 0.00 -0.67 -0.43 3.04 0.08 -1.63 116.42 116.40 1jwd h ASP 61 Ca -0.03 0.00 0.19 0.00 -3.24 0.00 0.00 57.03 53.95 1jwd h ASP 61 Cb 0.35 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.61 1jwd h ASP 61 CO -0.01 0.00 0.52 -0.09 -2.04 0.00 0.00 179.24 177.63 1jwd h ARG 62 N 0.00 0.00 -1.06 4.15 2.43 -0.53 0.43 114.38 119.80 1jwd h ARG 62 Ca 0.00 0.00 0.31 0.00 -0.81 0.00 0.00 59.98 59.48 1jwd h ARG 62 Cb 0.03 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1jwd h ARG 62 CO -0.00 0.00 0.78 -2.95 -1.51 0.00 0.00 179.97 176.29 1jwd h ASN 63 N 0.00 0.00 0.00 -3.80 7.08 -1.45 -3.36 115.58 114.05 1jwd h ASN 63 Ca 0.32 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.54 1jwd h ASN 63 Cb 1.36 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.60 1jwd h ASN 63 CO -0.00 0.00 0.00 0.29 -2.08 0.00 0.00 177.43 175.64 1jwd n LYS 64 N -4.17 0.00 0.00 4.14 5.02 0.13 -5.01 118.16 118.27 1jwd n LYS 64 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1jwd n LYS 64 Cb 1.13 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 35.95 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 -3.16 0.00 0.00 4.39 5.75 0.13 -4.97 116.55 118.69 1jwd n ASP 65 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jwd n ASP 65 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.00 -4.11 0.11 6.02 -1.24 -4.42 117.38 113.75 1jwd n GLN 66 Ca 0.00 -0.28 -0.12 0.00 -0.01 0.00 0.00 57.00 56.60 1jwd n GLN 66 Cb 0.00 -0.42 -0.11 0.00 1.02 0.00 0.00 30.24 30.73 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 0.66 -0.24 -1.09 2.02 -1.26 -0.89 118.70 117.90 1jwd s GLU 67 Ca 0.00 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 53.98 1jwd s GLU 67 Cb 0.00 -0.23 0.04 0.00 0.10 0.00 0.00 34.13 34.04 1jwd s GLU 67 CO 0.00 0.01 -0.10 0.08 0.02 0.00 0.00 175.26 175.27 1jwd s VAL 68 N -2.43 2.49 0.38 2.63 1.01 0.66 -4.04 120.40 121.10 1jwd s VAL 68 Ca -0.00 -1.22 -0.24 0.00 0.00 0.00 0.00 61.98 60.52 1jwd s VAL 68 Cb -0.03 -2.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.96 1jwd s VAL 68 CO -0.02 0.18 0.97 0.21 0.00 0.00 0.00 175.10 176.44 1jwd s ASN 69 N 1.24 7.03 0.20 3.32 3.84 -1.26 -0.53 114.94 128.79 1jwd s ASN 69 Ca -0.02 1.84 -0.23 0.00 0.21 0.00 0.00 52.86 54.66 1jwd s ASN 69 Cb -0.17 -2.57 0.12 0.00 -0.55 0.00 0.00 41.25 38.08 1jwd s ASN 69 CO -0.06 -0.29 1.56 0.15 -2.79 0.00 0.00 177.10 175.67 1jwd h PHE 70 N 2.53 -1.27 -0.72 0.43 3.57 -1.59 0.21 116.94 120.10 1jwd h PHE 70 Ca -0.48 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1jwd h PHE 70 Cb 1.19 0.68 -0.04 0.00 2.79 0.00 0.00 35.95 40.58 1jwd h PHE 70 CO 0.61 -0.40 0.45 0.37 -2.23 0.00 0.00 178.31 177.11 1jwd h GLN 71 N -0.08 0.97 -0.20 1.11 4.15 -1.93 -1.36 115.11 117.76 1jwd h GLN 71 Ca 0.25 -0.08 -0.13 0.00 0.77 0.00 0.00 58.65 59.46 1jwd h GLN 71 Cb 0.55 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1jwd h GLN 71 CO -0.87 0.67 -0.44 0.93 -1.93 0.00 0.00 178.83 177.20 1jwd h GLU 72 N 0.98 0.50 0.01 1.69 3.07 -1.63 0.61 114.58 119.81 1jwd h GLU 72 Ca 0.26 -0.26 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 1jwd h GLU 72 Cb -0.07 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.82 1jwd h GLU 72 CO -0.05 0.84 -0.21 -0.92 -1.40 0.00 0.00 179.01 177.27 1jwd h TYR 73 N 0.41 -0.56 -0.57 4.33 3.20 -0.03 0.12 116.97 123.86 1jwd h TYR 73 Ca 0.03 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1jwd h TYR 73 Cb 0.93 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.42 1jwd h TYR 73 CO 0.03 -0.30 0.24 0.82 -1.64 0.00 0.00 178.16 177.32 1jwd h ILE 74 N -0.34 1.22 -0.46 1.81 2.04 -0.83 0.14 117.51 121.09 1jwd h ILE 74 Ca 0.06 -0.66 0.09 0.00 1.00 0.00 0.00 64.86 65.35 1jwd h ILE 74 Cb 0.41 0.59 -0.09 0.00 -0.74 0.00 0.00 36.82 36.99 1jwd h ILE 74 CO -0.19 0.26 -0.19 0.74 0.00 0.00 0.00 178.15 178.77 1jwd h THR 75 N 0.78 0.40 -0.59 -0.27 2.02 -0.65 0.57 112.91 115.17 1jwd h THR 75 Ca 0.19 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 1jwd h THR 75 Cb 0.17 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1jwd h THR 75 CO -0.02 0.00 0.34 0.15 0.37 0.00 0.00 175.52 176.36 1jwd h PHE 76 N -0.10 0.80 -0.54 3.16 3.04 -0.19 -1.16 116.94 121.96 1jwd h PHE 76 Ca 0.22 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.27 1jwd h PHE 76 Cb 0.43 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 1jwd h PHE 76 CO -0.46 0.56 0.37 -0.07 -2.02 0.00 0.00 178.31 176.69 1jwd h LEU 77 N 0.80 0.23 -0.21 0.59 3.38 0.61 0.38 115.31 121.08 1jwd h LEU 77 Ca 0.21 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1jwd h LEU 77 Cb 0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1jwd h LEU 77 CO -0.04 0.13 0.11 1.23 0.09 0.00 0.00 178.44 179.97 1jwd h GLY 78 N 0.25 0.28 0.89 0.83 0.00 0.28 0.14 103.07 105.75 1jwd h GLY 78 Ca 0.25 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.54 1jwd h GLY 78 CO -0.05 0.07 0.58 0.00 0.00 0.00 0.00 176.54 177.14 1jwd h ALA 79 N 1.11 1.17 -0.55 3.60 0.00 -0.11 -0.48 119.26 124.00 1jwd h ALA 79 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jwd h ALA 79 Cb 0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1jwd h ALA 79 CO -0.06 0.44 0.32 1.25 0.00 0.00 0.00 179.25 181.20 1jwd h LEU 80 N 1.13 0.67 -0.50 0.00 5.85 0.13 0.26 115.31 122.84 1jwd h LEU 80 Ca 0.35 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.04 1jwd h LEU 80 Cb -0.01 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1jwd h LEU 80 CO -0.11 0.55 0.25 0.00 -0.34 0.00 0.00 178.44 178.78 1jwd h ALA 81 N 1.15 0.64 -0.62 1.25 0.00 -0.39 0.19 119.26 121.48 1jwd h ALA 81 Ca 0.19 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jwd h ALA 81 Cb 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1jwd h ALA 81 CO -0.03 -0.10 0.37 1.98 0.00 0.00 0.00 179.25 181.46 1jwd h MET 82 N 0.48 0.84 -0.28 0.00 1.85 -0.09 0.01 114.93 117.74 1jwd h MET 82 Ca 0.22 -0.07 -0.12 0.00 -0.61 0.00 0.00 59.70 59.12 1jwd h MET 82 Cb 0.14 -0.18 -0.00 0.00 0.43 0.00 0.00 31.60 31.99 1jwd h MET 82 CO -0.16 0.59 -0.30 0.82 -0.40 0.00 0.00 176.91 177.47 1jwd h ILE 83 N 0.86 1.30 -0.33 1.77 2.04 0.28 -2.84 117.51 120.58 1jwd h ILE 83 Ca 0.22 -1.47 0.07 0.00 1.00 0.00 0.00 64.86 64.69 1jwd h ILE 83 Cb -0.03 1.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 1jwd h ILE 83 CO -0.04 0.47 -0.14 1.88 0.00 0.00 0.00 178.15 180.32 1jwd h TYR 84 N 0.43 -0.32 0.00 1.37 -1.99 -0.31 -3.44 116.97 112.71 1jwd h TYR 84 Ca 0.04 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1jwd h TYR 84 Cb 0.87 0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.79 1jwd h TYR 84 CO 0.07 -0.21 0.00 -1.71 -0.00 0.00 0.00 178.16 176.32 1jwd n ASN 85 N -5.32 0.00 -0.36 3.88 2.85 -0.04 -4.25 115.26 112.02 1jwd n ASN 85 Ca 0.01 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.58 1jwd n ASN 85 Cb 0.23 0.00 0.29 0.00 1.24 0.00 0.00 39.78 41.54 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 0.83 -0.87 1.20 4.39 -1.86 0.33 114.58 118.60 1jwd h GLU 86 Ca 0.00 -0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.79 1jwd h GLU 86 Cb 0.00 -0.19 -0.09 0.00 -0.10 0.00 0.00 28.75 28.37 1jwd h GLU 86 CO 0.00 0.55 0.47 0.00 -1.16 0.00 0.00 179.01 178.87 1jwd h ALA 87 N 1.60 1.32 -0.14 3.43 0.00 -1.74 0.17 119.26 123.90 1jwd h ALA 87 Ca 0.54 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.46 1jwd h ALA 87 Cb 0.73 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1jwd h ALA 87 CO -0.34 -0.03 -0.17 -0.07 0.00 0.00 0.00 179.25 178.64 1jwd h LEU 88 N 0.69 0.40 -1.05 0.00 3.38 -0.68 -3.21 115.31 114.84 1jwd h LEU 88 Ca 0.47 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1jwd h LEU 88 Cb 0.62 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1jwd h LEU 88 CO -0.34 0.81 0.63 0.11 0.09 0.00 0.00 178.44 179.75 1jwd h LYS 89 N -0.01 1.15 0.00 1.13 1.79 -0.36 -3.52 116.57 116.75 1jwd h LYS 89 Ca 0.02 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1jwd h LYS 89 Cb 0.71 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1jwd h LYS 89 CO 0.04 0.76 0.00 0.41 -1.08 0.00 0.00 179.45 179.58