#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 3.04 0.00 -1.26 -4.51 120.51 117.45 1jwd n ALA 2 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1jwd n ALA 2 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 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 1.42 -0.23 -0.05 0.00 7.64 -1.26 -0.78 113.62 120.36 1jwd n SER 3 Ca 0.00 1.59 0.04 0.00 1.01 0.00 0.00 58.87 61.51 1jwd n SER 3 Cb 0.00 -0.52 0.40 0.00 -1.01 0.00 0.00 64.21 63.07 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 0.62 0.09 1.43 0.11 -2.02 -0.12 132.00 132.11 1jwd h PRO 4 Ca 0.50 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.41 1jwd h PRO 4 Cb 0.90 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.87 1jwd h PRO 4 CO -0.92 0.41 -0.75 1.25 -0.21 0.00 0.00 178.00 177.77 1jwd h LEU 5 N 0.64 0.30 -0.71 2.35 5.85 -1.38 -3.37 115.31 118.98 1jwd h LEU 5 Ca 0.19 -0.91 0.15 0.00 0.84 0.00 0.00 57.88 58.14 1jwd h LEU 5 Cb -0.02 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 40.81 1jwd h LEU 5 CO -0.04 1.34 0.20 0.44 -0.34 0.00 0.00 178.44 180.04 1jwd h ASP 6 N -0.57 0.08 -0.80 1.25 3.32 -0.34 0.27 116.42 119.64 1jwd h ASP 6 Ca -0.15 0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.11 1jwd h ASP 6 Cb 1.48 0.16 -0.07 0.00 0.22 0.00 0.00 39.33 41.12 1jwd h ASP 6 CO 0.07 0.01 0.46 0.06 -1.72 0.00 0.00 179.24 178.11 1jwd h GLN 7 N 0.31 0.77 0.10 3.56 3.07 -1.23 0.21 115.11 121.90 1jwd h GLN 7 Ca 0.39 -0.05 -0.00 0.00 0.09 0.00 0.00 58.65 59.08 1jwd h GLN 7 Cb 0.64 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.02 1jwd h GLN 7 CO -0.46 0.51 -0.05 0.00 0.09 0.00 0.00 178.83 178.93 1jwd h ALA 8 N 1.42 -0.13 -0.72 0.06 0.00 -0.67 0.20 119.26 119.43 1jwd h ALA 8 Ca 0.37 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1jwd h ALA 8 Cb 0.29 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1jwd h ALA 8 CO -0.22 -0.31 0.43 -0.84 0.00 0.00 0.00 179.25 178.31 1jwd h ILE 9 N -0.65 1.03 -0.84 0.00 3.07 -1.21 -0.91 117.51 118.00 1jwd h ILE 9 Ca -0.01 -0.28 0.21 0.00 1.55 0.00 0.00 64.86 66.33 1jwd h ILE 9 Cb 0.52 0.15 -0.13 0.00 -0.27 0.00 0.00 36.82 37.08 1jwd h ILE 9 CO 0.02 0.15 0.20 1.23 -1.05 0.00 0.00 178.15 178.70 1jwd h GLY 10 N 0.81 1.23 0.72 0.16 0.00 -0.34 0.23 103.07 105.88 1jwd h GLY 10 Ca 0.31 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 1jwd h GLY 10 CO -0.15 -0.31 -0.47 -2.00 0.00 0.00 0.00 176.54 173.60 1jwd h LEU 11 N 0.22 -1.21 -0.45 3.11 7.12 0.84 0.22 115.31 125.16 1jwd h LEU 11 Ca 0.50 0.07 0.09 0.00 0.13 0.00 0.00 57.88 58.68 1jwd h LEU 11 Cb 0.97 0.36 -0.08 0.00 -0.53 0.00 0.00 40.66 41.37 1jwd h LEU 11 CO -0.62 -0.71 -0.08 -0.07 -0.13 0.00 0.00 178.44 176.83 1jwd h LEU 12 N -1.12 -0.35 -0.04 2.25 4.07 -1.17 0.44 115.31 119.39 1jwd h LEU 12 Ca -0.10 0.13 0.02 0.00 0.08 0.00 0.00 57.88 58.01 1jwd h LEU 12 Cb 0.91 0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.88 1jwd h LEU 12 CO 0.08 -0.12 -0.06 0.40 -1.08 0.00 0.00 178.44 177.65 1jwd h ILE 13 N 0.03 0.83 0.33 1.22 2.04 -0.76 -0.14 117.51 121.06 1jwd h ILE 13 Ca 0.22 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.08 1jwd h ILE 13 Cb 0.33 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1jwd h ILE 13 CO -0.44 0.00 -0.28 1.23 0.00 0.00 0.00 178.15 178.67 1jwd h GLY 14 N -0.09 -0.66 -0.30 5.37 0.00 -0.04 0.11 103.07 107.47 1jwd h GLY 14 Ca 0.04 0.31 0.11 0.00 0.00 0.00 0.00 47.33 47.79 1jwd h GLY 14 CO -0.09 -0.25 -0.27 -2.22 0.00 0.00 0.00 176.54 173.70 1jwd h ILE 15 N -0.62 0.25 0.57 2.60 2.04 -0.71 0.22 117.51 121.86 1jwd h ILE 15 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1jwd h ILE 15 Cb 0.55 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1jwd h ILE 15 CO -0.03 0.00 -0.27 0.15 0.00 0.00 0.00 178.15 178.00 1jwd h PHE 16 N -0.13 -0.71 0.00 1.37 3.57 -0.67 -2.98 116.94 117.39 1jwd h PHE 16 Ca 0.24 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 1jwd h PHE 16 Cb 0.52 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1jwd h PHE 16 CO -0.57 -0.42 -0.40 0.45 -2.23 0.00 0.00 178.31 175.13 1jwd h HIS 17 N -0.81 0.00 0.24 0.41 3.86 -0.34 0.63 115.15 119.13 1jwd h HIS 17 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1jwd h HIS 17 Cb 0.60 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 1jwd h HIS 17 CO -0.03 0.40 -0.22 0.87 0.86 0.00 0.00 177.93 179.82 1jwd h LYS 18 N 0.00 -0.46 -0.46 2.45 1.57 -0.97 0.16 116.57 118.85 1jwd h LYS 18 Ca -0.00 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1jwd h LYS 18 Cb 0.73 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1jwd h LYS 18 CO 0.05 -0.31 -0.02 1.88 -0.57 0.00 0.00 179.45 180.48 1jwd h TYR 19 N -0.48 0.82 0.24 -1.35 0.05 -1.21 0.55 116.97 115.59 1jwd h TYR 19 Ca -0.01 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 1jwd h TYR 19 Cb 0.44 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 1jwd h TYR 19 CO -0.14 0.78 -0.15 0.77 -1.05 0.00 0.00 178.16 178.36 1jwd h SER 20 N 0.72 -0.39 -0.98 3.88 0.02 -0.80 -2.96 113.55 113.04 1jwd h SER 20 Ca 0.14 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.22 1jwd h SER 20 Cb 0.47 0.12 -0.08 0.00 0.14 0.00 0.00 62.40 63.05 1jwd h SER 20 CO 0.02 -0.25 0.62 1.23 -1.14 0.00 0.00 176.83 177.32 1jwd h GLY 21 N -0.38 1.53 -0.05 -3.77 0.00 -0.08 0.39 103.07 100.71 1jwd h GLY 21 Ca -0.02 -0.42 0.26 0.00 0.00 0.00 0.00 47.33 47.16 1jwd h GLY 21 CO 0.02 0.20 0.67 1.70 0.00 0.00 0.00 176.54 179.13 1jwd h LYS 22 N 0.99 0.31 -0.27 4.80 3.64 -0.73 0.10 116.57 125.42 1jwd h LYS 22 Ca 0.47 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.70 1jwd h LYS 22 Cb 0.43 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.10 1jwd h LYS 22 CO -0.23 0.21 -0.16 -0.85 -2.27 0.00 0.00 179.45 176.15 1jwd n GLU 23 N -4.52 1.82 -2.69 1.90 0.28 -0.34 -4.97 120.64 112.11 1jwd n GLU 23 Ca 0.24 -3.18 -0.19 0.00 -0.16 0.00 0.00 57.16 53.86 1jwd n GLU 23 Cb 0.89 -1.77 0.00 0.00 1.43 0.00 0.00 31.44 31.99 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 -1.10 -0.50 3.71 -1.84 0.00 0.36 -5.00 105.19 100.81 1jwd n GLY 24 Ca 0.30 0.05 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.30 4.73 0.00 1.61 -1.08 -0.02 -4.95 116.67 114.67 1jwd s ASP 25 Ca 0.13 -0.66 0.00 0.00 -0.52 0.00 0.00 52.55 51.50 1jwd s ASP 25 Cb -0.06 -0.85 0.00 0.00 -1.46 0.00 0.00 42.92 40.55 1jwd s ASP 25 CO 0.16 -0.16 0.00 0.29 0.52 0.00 0.00 175.17 175.98 1jwd n LYS 26 N -1.06 0.00 -1.04 4.34 5.02 -1.26 -2.04 118.16 122.12 1jwd n LYS 26 Ca -0.05 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.13 1jwd n LYS 26 Cb 0.60 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.86 1jwd n LYS 26 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1jwd n HIS 27 N -1.14 2.41 -3.63 2.13 8.25 -1.26 -4.65 115.22 117.34 1jwd n HIS 27 Ca 0.00 -1.45 -0.16 0.00 -0.26 0.00 0.00 57.72 55.85 1jwd n HIS 27 Cb 0.00 -0.73 -0.07 0.00 1.12 0.00 0.00 29.99 30.31 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 -3.12 0.03 0.06 1.59 2.01 -1.26 -0.71 115.64 114.22 1jwd s THR 28 Ca 0.54 -0.22 -0.13 0.00 0.31 0.00 0.00 61.69 62.19 1jwd s THR 28 Cb 0.44 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 72.14 1jwd s THR 28 CO 0.11 -0.12 0.29 -1.48 -0.69 0.00 0.00 174.62 172.73 1jwd s LEU 29 N -1.30 0.94 0.54 4.42 0.05 -0.07 -4.69 118.68 118.58 1jwd s LEU 29 Ca -0.12 -0.27 -0.16 0.00 0.05 0.00 0.00 54.13 53.63 1jwd s LEU 29 Cb -0.02 1.33 -0.06 0.00 -2.05 0.00 0.00 46.19 45.38 1jwd s LEU 29 CO 0.07 -0.65 1.01 -0.55 -0.55 0.00 0.00 176.35 175.68 1jwd s SER 30 N -2.22 6.33 0.20 1.48 0.15 -1.26 -0.27 113.70 118.10 1jwd s SER 30 Ca -0.03 1.65 -0.14 0.00 0.70 0.00 0.00 55.95 58.13 1jwd s SER 30 Cb 0.00 -2.52 0.21 0.00 -1.71 0.00 0.00 66.02 62.00 1jwd s SER 30 CO -0.05 -0.79 1.66 0.07 1.20 0.00 0.00 173.24 175.32 1jwd h LYS 31 N 0.72 0.05 -0.09 5.44 2.10 -1.58 0.26 116.57 123.47 1jwd h LYS 31 Ca -0.47 -0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.05 1jwd h LYS 31 Cb 1.20 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 1jwd h LYS 31 CO 0.60 0.03 -0.51 -0.22 -2.00 0.00 0.00 179.45 177.36 1jwd h LYS 32 N 0.05 0.23 -0.74 0.07 3.64 -1.94 -0.46 116.57 117.43 1jwd h LYS 32 Ca 0.27 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1jwd h LYS 32 Cb 0.42 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1jwd h LYS 32 CO -0.52 0.69 0.26 1.49 -2.27 0.00 0.00 179.45 179.10 1jwd h GLU 33 N 0.18 1.13 -0.19 1.90 4.57 -1.51 0.52 114.58 121.18 1jwd h GLU 33 Ca 0.01 -0.22 0.02 0.00 -1.18 0.00 0.00 59.36 57.98 1jwd h GLU 33 Cb 0.96 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 1jwd h GLU 33 CO 0.08 0.94 0.05 1.25 -1.18 0.00 0.00 179.01 180.15 1jwd h LEU 34 N 1.08 0.03 -0.47 1.64 7.12 -0.10 0.15 115.31 124.76 1jwd h LEU 34 Ca 0.24 0.02 0.09 0.00 0.13 0.00 0.00 57.88 58.37 1jwd h LEU 34 Cb 0.26 0.03 -0.08 0.00 -0.53 0.00 0.00 40.66 40.34 1jwd h LEU 34 CO -0.01 0.05 0.00 0.50 -0.13 0.00 0.00 178.44 178.84 1jwd h LYS 35 N 0.13 0.11 -0.65 1.25 3.64 -0.50 0.49 116.57 121.04 1jwd h LYS 35 Ca 0.08 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1jwd h LYS 35 Cb 0.07 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1jwd h LYS 35 CO -0.10 0.07 0.43 1.49 -2.27 0.00 0.00 179.45 179.07 1jwd h GLU 36 N 0.12 0.68 0.90 1.90 4.81 -0.05 0.15 114.58 123.08 1jwd h GLU 36 Ca 0.23 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1jwd h GLU 36 Cb 0.35 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.58 1jwd h GLU 36 CO -0.39 0.45 -0.44 1.25 -0.73 0.00 0.00 179.01 179.15 1jwd h LEU 37 N 0.70 -1.05 -0.10 1.64 6.46 0.33 -2.99 115.31 120.30 1jwd h LEU 37 Ca 0.27 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 58.11 1jwd h LEU 37 Cb 0.18 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 1jwd h LEU 37 CO -0.08 -0.74 -0.17 0.40 -0.62 0.00 0.00 178.44 177.23 1jwd h ILE 38 N -1.22 0.57 -0.20 4.05 2.04 0.12 -0.53 117.51 122.34 1jwd h ILE 38 Ca -0.12 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.77 1jwd h ILE 38 Cb 0.94 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1jwd h ILE 38 CO 0.20 0.00 0.14 1.56 0.00 0.00 0.00 178.15 180.05 1jwd h GLN 39 N -0.22 0.13 0.17 2.37 1.08 -0.83 0.58 115.11 118.39 1jwd h GLN 39 Ca 0.09 -0.01 -0.23 0.00 -1.45 0.00 0.00 58.65 57.05 1jwd h GLN 39 Cb 0.35 -0.03 0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1jwd h GLN 39 CO -0.23 0.08 -1.02 -0.22 -0.95 0.00 0.00 178.83 176.49 1jwd h LYS 40 N 0.13 0.36 0.07 1.46 3.64 -1.21 -3.31 116.57 117.71 1jwd h LYS 40 Ca 0.09 -0.61 -0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1jwd h LYS 40 Cb 0.19 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1jwd h LYS 40 CO -0.01 1.29 -0.03 0.93 -2.27 0.00 0.00 179.45 179.36 1jwd h GLU 41 N -0.24 -0.09 -4.78 1.90 4.39 -0.61 -3.38 114.58 111.77 1jwd h GLU 41 Ca -0.18 0.01 -0.72 0.00 0.34 0.00 0.00 59.36 58.81 1jwd h GLU 41 Cb 1.78 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 30.34 1jwd h GLU 41 CO 0.18 -0.06 2.06 1.28 -1.16 0.00 0.00 179.01 181.31 1jwd n LEU 42 N -2.90 5.65 -4.09 1.33 7.99 0.20 -4.91 117.00 120.28 1jwd n LEU 42 Ca -0.01 -4.26 -0.34 0.00 -0.01 0.00 0.00 56.01 51.39 1jwd n LEU 42 Cb 0.04 -1.65 -0.07 0.00 -0.11 0.00 0.00 43.42 41.63 1jwd n LEU 42 CO 0.03 0.71 1.68 0.35 -1.51 0.00 0.00 177.39 178.65 1jwd n THR 43 N 5.07 1.42 -1.83 -5.08 -2.24 -1.25 -4.32 114.28 106.05 1jwd n THR 43 Ca 0.44 -1.37 -0.42 0.00 -2.27 0.00 0.00 64.05 60.43 1jwd n THR 43 Cb 0.42 -2.18 -0.03 0.00 -2.10 0.00 0.00 70.33 66.44 1jwd n THR 43 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1jwd s ILE 44 N 9.05 3.27 -0.15 2.28 -4.36 -1.26 -4.91 121.20 125.12 1jwd s ILE 44 Ca 0.66 0.26 -0.41 0.00 -0.26 0.00 0.00 60.65 60.90 1jwd s ILE 44 Cb 0.06 -3.40 -0.18 0.00 1.25 0.00 0.00 42.46 40.19 1jwd s ILE 44 CO 0.16 -0.28 1.39 0.61 0.24 0.00 0.00 174.94 177.06 1jwd n GLY 45 N 5.61 0.23 2.47 6.27 0.00 -1.26 -0.86 105.19 117.65 1jwd n GLY 45 Ca 0.26 0.84 -0.10 0.00 0.00 0.00 0.00 46.02 47.03 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 3.07 -3.21 -2.33 1.61 7.64 -1.26 -1.06 113.62 118.09 1jwd n SER 46 Ca 0.23 0.26 -0.16 0.00 1.01 0.00 0.00 58.87 60.21 1jwd n SER 46 Cb 0.08 -2.76 -0.01 0.00 -1.01 0.00 0.00 64.21 60.51 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 -2.75 -1.93 -1.74 1.43 5.02 -0.04 -4.93 118.16 113.23 1jwd n LYS 47 Ca -0.11 0.79 -0.42 0.00 -2.02 0.00 0.00 58.31 56.56 1jwd n LYS 47 Cb 0.58 -5.39 -0.02 0.00 -0.02 0.00 0.00 35.03 30.18 1jwd n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jwd s LEU 48 N -5.63 4.36 -0.77 -0.35 1.43 -0.22 -1.17 118.68 116.33 1jwd s LEU 48 Ca 0.00 2.92 0.00 0.00 -1.03 0.00 0.00 54.13 56.02 1jwd s LEU 48 Cb 0.00 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1jwd s LEU 48 CO 0.00 -0.95 0.00 0.00 0.23 0.00 0.00 176.35 175.63 1jwd n GLN 49 N 3.12 -0.55 -0.33 1.70 3.00 -1.26 -4.82 117.38 118.24 1jwd n GLN 49 Ca 0.12 0.67 0.16 0.00 -0.01 0.00 0.00 57.00 57.94 1jwd n GLN 49 Cb 0.36 -4.51 0.36 0.00 0.00 0.00 0.00 30.24 26.45 1jwd n GLN 49 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1jwd h ASP 50 N 0.00 0.54 -0.58 1.08 3.58 -1.53 0.22 116.42 119.72 1jwd h ASP 50 Ca -0.16 0.15 0.11 0.00 0.42 0.00 0.00 57.03 57.55 1jwd h ASP 50 Cb 0.66 0.08 -0.09 0.00 1.72 0.00 0.00 39.33 41.70 1jwd h ASP 50 CO 0.22 0.05 0.06 0.00 -2.88 0.00 0.00 179.24 176.69 1jwd h ALA 51 N 1.73 0.63 -0.58 -0.78 0.00 -1.92 0.16 119.26 118.50 1jwd h ALA 51 Ca 0.62 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.61 1jwd h ALA 51 Cb 1.20 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1jwd h ALA 51 CO -0.51 -0.35 0.06 0.93 0.00 0.00 0.00 179.25 179.38 1jwd h GLU 52 N 0.18 0.98 -0.51 0.00 4.39 -1.04 -0.90 114.58 117.69 1jwd h GLU 52 Ca 0.30 -0.28 0.07 0.00 0.34 0.00 0.00 59.36 59.79 1jwd h GLU 52 Cb 0.47 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.96 1jwd h GLU 52 CO -0.45 0.95 0.18 0.82 -1.16 0.00 0.00 179.01 179.36 1jwd h ILE 53 N 0.88 0.82 -0.08 3.13 1.08 0.30 0.94 117.51 124.58 1jwd h ILE 53 Ca 0.17 -0.12 -0.14 0.00 -0.39 0.00 0.00 64.86 64.38 1jwd h ILE 53 Cb 0.47 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 1jwd h ILE 53 CO 0.02 0.07 -0.57 -0.37 -0.69 0.00 0.00 178.15 176.61 1jwd h VAL 54 N 0.36 1.37 0.09 1.67 -1.51 -0.33 0.41 116.25 118.31 1jwd h VAL 54 Ca 0.25 -1.89 0.00 0.00 -1.23 0.00 0.00 66.70 63.82 1jwd h VAL 54 Cb 0.27 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 1jwd h VAL 54 CO -0.25 0.56 -0.07 0.50 -1.23 0.00 0.00 177.57 177.08 1jwd h LYS 55 N 0.18 -0.16 -0.80 5.19 1.63 -0.79 0.90 116.57 122.73 1jwd h LYS 55 Ca -0.00 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.87 1jwd h LYS 55 Cb 1.05 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.66 1jwd h LYS 55 CO 0.09 -0.11 0.48 1.25 -3.45 0.00 0.00 179.45 177.71 1jwd h LEU 56 N -0.17 0.75 -0.10 5.20 6.46 -0.57 0.13 115.31 127.02 1jwd h LEU 56 Ca -0.00 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1jwd h LEU 56 Cb 0.15 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 1jwd h LEU 56 CO -0.01 0.48 -0.01 -0.03 -0.62 0.00 0.00 178.44 178.25 1jwd h MET 57 N 0.88 0.01 -0.34 1.25 4.05 0.06 0.92 114.93 121.76 1jwd h MET 57 Ca 0.35 -0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.84 1jwd h MET 57 Cb 0.17 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 30.90 1jwd h MET 57 CO -0.17 0.01 -0.09 0.22 0.23 0.00 0.00 176.91 177.10 1jwd h ASP 58 N 0.01 -0.34 -0.81 1.39 3.58 -0.06 0.24 116.42 120.43 1jwd h ASP 58 Ca 0.05 0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.63 1jwd h ASP 58 Cb 0.06 0.22 -0.05 0.00 1.72 0.00 0.00 39.33 41.28 1jwd h ASP 58 CO -0.09 -0.12 0.52 0.44 -2.88 0.00 0.00 179.24 177.11 1jwd h ASP 59 N -0.01 0.87 0.22 2.28 3.32 -0.33 0.22 116.42 123.00 1jwd h ASP 59 Ca 0.16 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1jwd h ASP 59 Cb 0.26 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1jwd h ASP 59 CO -0.35 0.61 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.60 1jwd h LEU 60 N 1.03 -0.25 -0.77 1.55 3.38 -0.27 -3.31 115.31 116.67 1jwd h LEU 60 Ca 0.32 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 1jwd h LEU 60 Cb -0.02 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1jwd h LEU 60 CO -0.10 0.01 -0.60 -2.24 0.09 0.00 0.00 178.44 175.60 1jwd h ASP 61 N -0.52 0.07 -0.91 -0.43 3.04 -0.25 -3.29 116.42 114.13 1jwd h ASP 61 Ca -0.03 -0.04 0.21 0.00 -3.24 0.00 0.00 57.03 53.93 1jwd h ASP 61 Cb 0.39 -0.02 -0.12 0.00 -1.04 0.00 0.00 39.33 38.54 1jwd h ASP 61 CO 0.05 0.65 0.45 -0.09 -2.04 0.00 0.00 179.24 178.26 1jwd h ARG 62 N 0.04 0.49 -0.50 4.15 2.43 -0.65 0.19 114.38 120.52 1jwd h ARG 62 Ca -0.01 -0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.28 1jwd h ARG 62 Cb 1.07 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 1jwd h ARG 62 CO 0.08 0.32 0.46 -0.91 -1.51 0.00 0.00 179.97 178.41 1jwd h ASN 63 N 0.50 0.00 -1.02 -3.80 2.35 -1.74 -0.49 115.58 111.37 1jwd h ASN 63 Ca 0.55 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.94 1jwd h ASN 63 Cb 0.99 0.00 -0.38 0.00 0.05 0.00 0.00 38.32 38.99 1jwd h ASN 63 CO -0.47 0.00 -1.12 1.17 -1.65 0.00 0.00 177.43 175.35 1jwd n LYS 64 N -3.93 1.12 0.00 0.81 3.00 0.28 -4.95 118.16 114.49 1jwd n LYS 64 Ca 0.09 -3.13 0.00 0.00 -0.00 0.00 0.00 58.31 55.27 1jwd n LYS 64 Cb 0.66 -1.20 0.00 0.00 0.00 0.00 0.00 35.03 34.50 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 -0.06 0.00 0.21 3.14 5.68 0.39 -1.13 116.55 124.78 1jwd n ASP 65 Ca 0.10 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.47 1jwd n ASP 65 Cb 0.80 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 41.22 1jwd n ASP 65 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1jwd h GLN 66 N 0.00 0.00 -4.55 0.11 -0.00 -1.90 -3.34 115.11 105.43 1jwd h GLN 66 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.42 1jwd h GLN 66 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 27.48 27.31 1jwd h GLN 66 CO 0.00 0.29 -0.71 -1.83 0.00 0.00 0.00 178.83 176.58 1jwd s GLU 67 N -3.77 0.69 -0.23 1.69 -1.05 -0.29 -1.42 118.70 114.33 1jwd s GLU 67 Ca -0.01 -1.10 -0.10 0.00 -0.15 0.00 0.00 54.97 53.61 1jwd s GLU 67 Cb 0.11 -0.17 -0.05 0.00 -0.44 0.00 0.00 34.13 33.58 1jwd s GLU 67 CO 0.66 -0.01 0.15 0.54 0.95 0.00 0.00 175.26 177.55 1jwd s VAL 68 N -2.83 5.31 0.33 1.83 0.11 0.63 -3.02 120.40 122.77 1jwd s VAL 68 Ca 0.03 0.16 -0.21 0.00 -2.93 0.00 0.00 61.98 59.03 1jwd s VAL 68 Cb -0.00 -3.47 -0.10 0.00 -1.53 0.00 0.00 36.38 31.29 1jwd s VAL 68 CO -0.03 0.37 0.86 0.21 -3.33 0.00 0.00 175.10 173.18 1jwd s ASN 69 N 0.91 7.07 0.23 3.54 3.84 -1.26 -0.89 114.94 128.38 1jwd s ASN 69 Ca 0.07 1.61 -0.14 0.00 0.21 0.00 0.00 52.86 54.61 1jwd s ASN 69 Cb -0.13 -2.50 0.29 0.00 -0.55 0.00 0.00 41.25 38.36 1jwd s ASN 69 CO 0.03 -0.16 1.58 0.15 -2.79 0.00 0.00 177.10 175.91 1jwd h PHE 70 N 2.69 -0.69 -1.00 0.43 3.57 -1.28 0.18 116.94 120.84 1jwd h PHE 70 Ca -0.48 0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.14 1jwd h PHE 70 Cb 1.19 0.43 -0.06 0.00 2.79 0.00 0.00 35.95 40.30 1jwd h PHE 70 CO 0.62 -0.38 0.66 0.37 -2.23 0.00 0.00 178.31 177.35 1jwd h GLN 71 N -0.04 1.24 -0.09 1.11 4.15 -1.94 -0.23 115.11 119.31 1jwd h GLN 71 Ca 0.36 -0.07 -0.21 0.00 0.77 0.00 0.00 58.65 59.49 1jwd h GLN 71 Cb 0.60 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1jwd h GLN 71 CO -0.85 0.82 -0.79 0.93 -1.93 0.00 0.00 178.83 177.01 1jwd h GLU 72 N 1.28 0.56 0.11 1.69 4.39 -1.29 0.05 114.58 121.37 1jwd h GLU 72 Ca 0.39 -0.48 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1jwd h GLU 72 Cb -0.03 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 1jwd h GLU 72 CO -0.12 1.11 -0.27 -0.92 -1.16 0.00 0.00 179.01 177.65 1jwd h TYR 73 N 0.37 -0.73 0.17 4.33 3.20 -0.23 0.18 116.97 124.26 1jwd h TYR 73 Ca -0.05 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.85 1jwd h TYR 73 Cb 1.40 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.95 1jwd h TYR 73 CO 0.06 -0.37 -0.27 0.82 -1.64 0.00 0.00 178.16 176.76 1jwd h ILE 74 N -0.48 0.41 -0.52 1.81 1.08 -0.88 0.92 117.51 119.85 1jwd h ILE 74 Ca 0.03 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.61 1jwd h ILE 74 Cb 0.51 0.41 -0.10 0.00 -3.07 0.00 0.00 36.82 34.57 1jwd h ILE 74 CO -0.16 0.00 -0.12 0.74 -0.69 0.00 0.00 178.15 177.92 1jwd h THR 75 N -0.52 0.48 -0.53 -0.27 2.02 -0.85 0.68 112.91 113.92 1jwd h THR 75 Ca 0.02 -0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 1jwd h THR 75 Cb 0.52 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1jwd h THR 75 CO -0.12 0.00 0.11 0.15 0.37 0.00 0.00 175.52 176.03 1jwd h PHE 76 N 0.01 0.91 -0.76 3.16 3.04 -0.25 0.12 116.94 123.16 1jwd h PHE 76 Ca 0.25 -0.12 0.07 0.00 3.98 0.00 0.00 57.97 62.16 1jwd h PHE 76 Cb 0.39 -0.25 -0.05 0.00 2.56 0.00 0.00 35.95 38.59 1jwd h PHE 76 CO -0.43 0.81 0.50 -0.07 -2.02 0.00 0.00 178.31 177.09 1jwd h LEU 77 N 0.75 0.70 -0.11 0.59 3.38 0.10 0.30 115.31 121.02 1jwd h LEU 77 Ca 0.16 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1jwd h LEU 77 Cb 0.37 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1jwd h LEU 77 CO 0.01 0.45 -0.05 1.23 0.09 0.00 0.00 178.44 180.16 1jwd h GLY 78 N 0.79 0.05 0.47 0.83 0.00 0.39 0.15 103.07 105.75 1jwd h GLY 78 Ca 0.33 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.80 1jwd h GLY 78 CO -0.12 -0.07 0.09 0.00 0.00 0.00 0.00 176.54 176.45 1jwd h ALA 79 N 1.06 0.48 -0.34 3.60 0.00 0.85 0.74 119.26 125.66 1jwd h ALA 79 Ca 0.06 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1jwd h ALA 79 Cb 0.14 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1jwd h ALA 79 CO -0.14 -0.31 0.13 1.25 0.00 0.00 0.00 179.25 180.18 1jwd h LEU 80 N 0.23 0.16 -0.60 0.00 5.85 -0.17 0.21 115.31 120.98 1jwd h LEU 80 Ca 0.21 0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.00 1jwd h LEU 80 Cb 0.26 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1jwd h LEU 80 CO -0.27 0.13 0.35 0.00 -0.34 0.00 0.00 178.44 178.31 1jwd h ALA 81 N 1.20 0.79 -0.21 1.25 0.00 -0.16 0.15 119.26 122.27 1jwd h ALA 81 Ca 0.15 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jwd h ALA 81 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1jwd h ALA 81 CO -0.14 0.06 0.12 1.98 0.00 0.00 0.00 179.25 181.27 1jwd h MET 82 N 0.68 0.30 -0.37 0.00 1.85 -0.15 -2.90 114.93 114.34 1jwd h MET 82 Ca 0.25 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.30 1jwd h MET 82 Cb 0.08 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.03 1jwd h MET 82 CO -0.13 0.28 0.21 0.82 -0.40 0.00 0.00 176.91 177.69 1jwd h ILE 83 N 0.24 1.11 -0.98 1.77 2.04 0.08 0.10 117.51 121.88 1jwd h ILE 83 Ca 0.07 -0.27 0.22 0.00 1.00 0.00 0.00 64.86 65.89 1jwd h ILE 83 Cb 0.07 0.60 -0.09 0.00 -0.74 0.00 0.00 36.82 36.66 1jwd h ILE 83 CO -0.01 0.12 0.62 1.88 0.00 0.00 0.00 178.15 180.76 1jwd h TYR 84 N 0.51 0.74 0.00 1.37 0.05 -0.51 -3.45 116.97 115.68 1jwd h TYR 84 Ca 0.13 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1jwd h TYR 84 Cb -0.00 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.51 1jwd h TYR 84 CO 0.00 0.15 0.00 0.09 -1.05 0.00 0.00 178.16 177.35 1jwd n ASN 85 N -4.62 0.00 -0.18 3.88 3.02 0.35 -4.09 115.26 113.62 1jwd n ASN 85 Ca 0.22 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.91 1jwd n ASN 85 Cb 0.71 0.00 0.46 0.00 -0.61 0.00 0.00 39.78 40.34 1jwd n ASN 85 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1jwd h GLU 86 N 0.00 0.50 -0.74 3.52 4.39 -1.87 0.16 114.58 120.54 1jwd h GLU 86 Ca 0.00 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.76 1jwd h GLU 86 Cb 0.00 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.49 1jwd h GLU 86 CO 0.00 0.33 0.48 0.00 -1.16 0.00 0.00 179.01 178.66 1jwd h ALA 87 N 1.63 1.79 0.00 3.43 0.00 -1.86 0.19 119.26 124.43 1jwd h ALA 87 Ca 0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1jwd h ALA 87 Cb 0.74 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1jwd h ALA 87 CO -0.13 0.07 -0.11 -0.07 0.00 0.00 0.00 179.25 179.01 1jwd h LEU 88 N 0.68 0.00 -0.82 0.00 -0.00 -1.07 -3.40 115.31 110.71 1jwd h LEU 88 Ca 0.33 -0.08 0.06 0.00 -0.00 0.00 0.00 57.88 58.19 1jwd h LEU 88 Cb 0.40 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.00 1jwd h LEU 88 CO -0.12 0.60 0.50 0.11 -0.00 0.00 0.00 178.44 179.53 1jwd h LYS 89 N -1.00 0.90 0.00 1.13 1.57 -0.83 -3.52 116.57 114.82 1jwd h LYS 89 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1jwd h LYS 89 Cb 0.18 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1jwd h LYS 89 CO -0.00 0.60 0.00 0.41 -0.57 0.00 0.00 179.45 179.88