#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 -0.32 -5.12 0.00 -1.26 -4.61 120.51 109.21 1jwd n ALA 2 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1jwd n ALA 2 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 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 2.32 -0.21 -0.11 0.00 7.64 -1.26 -0.61 113.62 121.40 1jwd n SER 3 Ca 0.00 1.54 -0.07 0.00 1.01 0.00 0.00 58.87 61.35 1jwd n SER 3 Cb 0.00 -0.51 0.01 0.00 -1.01 0.00 0.00 64.21 62.70 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 0.37 0.13 1.43 0.11 -2.01 0.87 132.00 132.90 1jwd h PRO 4 Ca 0.49 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.39 1jwd h PRO 4 Cb 0.90 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 31.95 1jwd h PRO 4 CO -0.88 0.24 -0.83 1.25 -0.21 0.00 0.00 178.00 177.57 1jwd h LEU 5 N 0.38 0.44 -0.79 2.35 5.85 -1.57 -3.33 115.31 118.65 1jwd h LEU 5 Ca 0.16 -0.95 0.14 0.00 0.84 0.00 0.00 57.88 58.08 1jwd h LEU 5 Cb 0.07 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 40.86 1jwd h LEU 5 CO -0.11 1.40 0.35 0.44 -0.34 0.00 0.00 178.44 180.17 1jwd h ASP 6 N -0.39 0.37 -0.77 1.25 5.19 -0.74 0.16 116.42 121.50 1jwd h ASP 6 Ca -0.15 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1jwd h ASP 6 Cb 1.63 0.06 -0.04 0.00 0.18 0.00 0.00 39.33 41.16 1jwd h ASP 6 CO 0.14 0.14 0.43 0.06 -3.12 0.00 0.00 179.24 176.90 1jwd h GLN 7 N 0.51 1.07 0.10 3.56 -0.00 -0.96 0.21 115.11 119.60 1jwd h GLN 7 Ca 0.43 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.65 58.97 1jwd h GLN 7 Cb 0.65 -0.22 0.00 0.00 -0.00 0.00 0.00 27.48 27.91 1jwd h GLN 7 CO -0.39 0.78 -0.05 0.00 -0.00 0.00 0.00 178.83 179.17 1jwd h ALA 8 N 1.40 -0.14 -0.72 0.06 0.00 -0.86 0.29 119.26 119.30 1jwd h ALA 8 Ca 0.28 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1jwd h ALA 8 Cb 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1jwd h ALA 8 CO -0.05 -0.25 0.43 -0.84 0.00 0.00 0.00 179.25 178.54 1jwd h ILE 9 N -0.79 1.04 -0.85 0.00 3.07 -1.18 -0.35 117.51 118.45 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 0.57 0.15 -0.13 0.00 -0.27 0.00 0.00 36.82 37.14 1jwd h ILE 9 CO 0.02 0.15 0.28 1.23 -1.05 0.00 0.00 178.15 178.79 1jwd h GLY 10 N 0.81 1.36 0.92 0.16 0.00 -0.46 0.62 103.07 106.48 1jwd h GLY 10 Ca 0.31 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 1jwd h GLY 10 CO -0.15 -0.29 -0.44 -2.00 0.00 0.00 0.00 176.54 173.66 1jwd h LEU 11 N 0.30 -1.05 -0.62 3.11 7.12 0.13 0.22 115.31 124.52 1jwd h LEU 11 Ca 0.53 0.04 0.12 0.00 0.13 0.00 0.00 57.88 58.69 1jwd h LEU 11 Cb 1.01 0.27 -0.09 0.00 -0.53 0.00 0.00 40.66 41.31 1jwd h LEU 11 CO -0.57 -0.74 0.12 -0.07 -0.13 0.00 0.00 178.44 177.04 1jwd h LEU 12 N -1.25 -0.03 0.41 2.25 4.07 -0.98 0.70 115.31 120.48 1jwd h LEU 12 Ca -0.13 0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1jwd h LEU 12 Cb 0.95 0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1jwd h LEU 12 CO 0.21 -0.01 -0.22 0.40 -1.08 0.00 0.00 178.44 177.74 1jwd h ILE 13 N 0.24 0.55 -0.19 1.22 2.04 -0.77 -0.20 117.51 120.41 1jwd h ILE 13 Ca 0.33 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.23 1jwd h ILE 13 Cb 0.51 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1jwd h ILE 13 CO -0.43 0.00 -0.03 1.23 0.00 0.00 0.00 178.15 178.91 1jwd h GLY 14 N -0.58 0.15 0.20 5.37 0.00 0.08 0.19 103.07 108.47 1jwd h GLY 14 Ca -0.05 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.38 1jwd h GLY 14 CO 0.07 -0.06 -0.24 -2.22 0.00 0.00 0.00 176.54 174.10 1jwd h ILE 15 N 0.02 0.41 0.53 2.60 2.04 -0.81 -0.99 117.51 121.31 1jwd h ILE 15 Ca 0.09 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 1jwd h ILE 15 Cb 0.13 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1jwd h ILE 15 CO -0.18 0.00 -0.32 0.15 0.00 0.00 0.00 178.15 177.80 1jwd h PHE 16 N -0.26 -0.85 0.00 1.37 3.04 -0.26 -3.01 116.94 116.97 1jwd h PHE 16 Ca 0.12 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.03 1jwd h PHE 16 Cb 0.45 0.30 -0.00 0.00 2.56 0.00 0.00 35.95 39.26 1jwd h PHE 16 CO -0.38 -0.48 -0.16 1.25 -2.02 0.00 0.00 178.31 176.52 1jwd h HIS 17 N -0.79 0.00 -0.38 0.41 2.76 -0.56 0.70 115.15 117.30 1jwd h HIS 17 Ca -0.07 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.01 1jwd h HIS 17 Cb 0.63 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 1jwd h HIS 17 CO -0.02 0.16 -0.09 1.57 -1.30 0.00 0.00 177.93 178.25 1jwd h LYS 18 N 0.00 0.73 -0.34 5.26 2.10 -1.22 0.20 116.57 123.29 1jwd h LYS 18 Ca -0.00 -0.28 -0.16 0.00 -2.00 0.00 0.00 60.65 58.21 1jwd h LYS 18 Cb 0.51 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 1jwd h LYS 18 CO 0.02 0.88 -0.43 1.88 -2.00 0.00 0.00 179.45 179.80 1jwd h TYR 19 N 0.53 1.05 0.65 0.07 0.05 -1.00 0.37 116.97 118.69 1jwd h TYR 19 Ca 0.10 -0.33 -0.03 0.00 0.05 0.00 0.00 58.73 58.52 1jwd h TYR 19 Cb 0.61 -0.22 0.01 0.00 1.01 0.00 0.00 36.73 38.14 1jwd h TYR 19 CO 0.05 1.14 -0.31 0.66 -1.05 0.00 0.00 178.16 178.64 1jwd h SER 20 N 0.70 -0.74 -0.46 3.88 4.64 -0.95 -3.11 113.55 117.50 1jwd h SER 20 Ca 0.05 0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.45 1jwd h SER 20 Cb 1.01 0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 1jwd h SER 20 CO 0.10 -0.50 -0.18 0.61 -0.87 0.00 0.00 176.83 175.99 1jwd n GLY 21 N -1.33 -0.96 0.32 -0.77 0.00 0.68 0.01 105.19 103.14 1jwd n GLY 21 Ca -0.13 0.52 0.17 0.00 0.00 0.00 0.00 46.02 46.57 1jwd n GLY 21 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jwd h LYS 22 N 0.00 0.28 0.00 1.61 3.64 -0.85 -2.25 116.57 119.01 1jwd h LYS 22 Ca 0.16 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.33 1jwd h LYS 22 Cb 0.27 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1jwd h LYS 22 CO -0.46 0.19 -2.16 -0.85 -2.27 0.00 0.00 179.45 173.89 1jwd n GLU 23 N -5.13 0.73 0.00 1.90 0.28 0.77 -5.02 120.64 114.17 1jwd n GLU 23 Ca 0.25 -0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 1jwd n GLU 23 Cb 0.77 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.14 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 1.57 1.94 3.33 -1.84 0.00 0.10 -5.07 105.19 105.22 1jwd n GLY 24 Ca -0.19 0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 2.75 -4.43 1.61 2.03 -1.25 -3.26 116.55 114.00 1jwd n ASP 25 Ca 0.00 -2.69 -0.22 0.00 0.52 0.00 0.00 54.79 52.41 1jwd n ASP 25 Cb 0.00 -1.39 -0.10 0.00 -0.72 0.00 0.00 41.12 38.91 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 5.71 1.56 0.00 -0.67 1.02 -1.26 -4.90 119.74 121.19 1jwd s LYS 26 Ca 0.63 -1.77 0.00 0.00 0.02 0.00 0.00 55.97 54.85 1jwd s LYS 26 Cb 0.08 -1.27 0.00 0.00 -0.52 0.00 0.00 37.83 36.12 1jwd s LYS 26 CO 0.13 0.10 1.48 0.72 -0.92 0.00 0.00 175.35 176.86 1jwd n HIS 27 N -0.58 0.00 -3.71 3.18 8.25 -1.26 -4.72 115.22 116.39 1jwd n HIS 27 Ca -0.06 -0.74 -0.11 0.00 -0.26 0.00 0.00 57.72 56.55 1jwd n HIS 27 Cb 0.63 -0.41 -0.11 0.00 1.12 0.00 0.00 29.99 31.22 1jwd n HIS 27 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1jwd s THR 28 N 0.33 -0.02 -0.01 1.59 -4.23 -1.26 -0.74 115.64 111.30 1jwd s THR 28 Ca 0.00 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1jwd s THR 28 Cb 0.00 -0.59 -0.03 0.00 1.34 0.00 0.00 72.50 73.21 1jwd s THR 28 CO 0.00 0.03 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.33 1jwd s LEU 29 N 1.10 3.42 0.56 4.79 1.02 0.03 -4.63 118.68 124.98 1jwd s LEU 29 Ca -0.07 -0.02 -0.16 0.00 0.02 0.00 0.00 54.13 53.90 1jwd s LEU 29 Cb -0.07 -1.93 -0.06 0.00 0.02 0.00 0.00 46.19 44.15 1jwd s LEU 29 CO -0.09 0.29 1.02 -0.94 0.02 0.00 0.00 176.35 176.65 1jwd s SER 30 N -1.42 6.19 0.29 2.29 1.04 -1.26 -0.42 113.70 120.41 1jwd s SER 30 Ca 0.18 1.67 0.02 0.00 0.48 0.00 0.00 55.95 58.30 1jwd s SER 30 Cb -0.11 -2.52 0.58 0.00 0.10 0.00 0.00 66.02 64.07 1jwd s SER 30 CO 0.08 -0.88 1.83 0.07 0.98 0.00 0.00 173.24 175.32 1jwd h LYS 31 N 0.59 0.94 0.00 4.02 2.10 -1.30 0.12 116.57 123.03 1jwd h LYS 31 Ca -0.47 -0.06 -0.20 0.00 -2.00 0.00 0.00 60.65 57.93 1jwd h LYS 31 Cb 1.20 -0.21 -0.03 0.00 -0.90 0.00 0.00 32.23 32.29 1jwd h LYS 31 CO 0.60 0.62 -0.96 -0.22 -2.00 0.00 0.00 179.45 177.49 1jwd h LYS 32 N 0.97 0.00 -0.73 0.07 3.64 -1.93 -1.71 116.57 116.88 1jwd h LYS 32 Ca 0.51 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.87 1jwd h LYS 32 Cb 0.54 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1jwd h LYS 32 CO -0.28 0.96 0.39 1.49 -2.27 0.00 0.00 179.45 179.74 1jwd h GLU 33 N 0.00 1.02 -0.21 1.90 4.57 -1.51 0.08 114.58 120.42 1jwd h GLU 33 Ca -0.01 -0.12 0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1jwd h GLU 33 Cb 1.74 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 30.08 1jwd h GLU 33 CO 0.13 0.77 -0.08 1.25 -1.18 0.00 0.00 179.01 179.89 1jwd h LEU 34 N 1.00 -0.28 -0.53 1.64 7.12 -0.74 0.10 115.31 123.62 1jwd h LEU 34 Ca 0.25 0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.45 1jwd h LEU 34 Cb 0.05 0.17 -0.09 0.00 -0.53 0.00 0.00 40.66 40.26 1jwd h LEU 34 CO -0.04 -0.11 -0.01 0.11 -0.13 0.00 0.00 178.44 178.26 1jwd h LYS 35 N -0.05 0.10 -0.47 1.25 1.57 -0.62 -0.25 116.57 118.11 1jwd h LYS 35 Ca 0.11 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.96 1jwd h LYS 35 Cb 0.21 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 1jwd h LYS 35 CO -0.25 0.07 0.13 1.49 -0.57 0.00 0.00 179.45 180.32 1jwd h GLU 36 N 0.10 0.27 -0.18 3.15 4.81 -0.20 0.13 114.58 122.66 1jwd h GLU 36 Ca 0.27 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.53 1jwd h GLU 36 Cb 0.41 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 1jwd h GLU 36 CO -0.45 0.18 -0.24 1.25 -0.73 0.00 0.00 179.01 179.02 1jwd h LEU 37 N 0.28 -0.76 -0.01 1.64 6.46 0.38 -0.81 115.31 122.49 1jwd h LEU 37 Ca 0.23 0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 58.12 1jwd h LEU 37 Cb 0.27 0.35 -0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1jwd h LEU 37 CO -0.27 -0.29 0.01 0.40 -0.62 0.00 0.00 178.44 177.67 1jwd h ILE 38 N -0.28 1.11 -0.95 4.05 2.04 -0.46 0.16 117.51 123.18 1jwd h ILE 38 Ca 0.12 -0.32 0.11 0.00 1.00 0.00 0.00 64.86 65.76 1jwd h ILE 38 Cb 0.46 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.77 1jwd h ILE 38 CO -0.34 0.09 0.61 1.56 0.00 0.00 0.00 178.15 180.06 1jwd h GLN 39 N -0.11 0.92 0.26 2.37 7.50 -0.47 0.21 115.11 125.80 1jwd h GLN 39 Ca 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 1jwd h GLN 39 Cb 0.14 -0.21 0.00 0.00 0.05 0.00 0.00 27.48 27.46 1jwd h GLN 39 CO -0.00 0.61 -0.13 -0.22 -1.50 0.00 0.00 178.83 177.59 1jwd h LYS 40 N 0.95 -0.34 0.49 1.46 3.11 -0.98 -2.85 116.57 118.40 1jwd h LYS 40 Ca 0.45 0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 58.29 1jwd h LYS 40 Cb 0.43 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.75 1jwd h LYS 40 CO -0.21 -0.19 -0.24 1.49 -2.81 0.00 0.00 179.45 177.50 1jwd h GLU 41 N -1.08 -0.63 0.00 1.90 4.57 -0.26 -2.98 114.58 116.09 1jwd h GLU 41 Ca -0.04 0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1jwd h GLU 41 Cb 0.31 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1jwd h GLU 41 CO 0.06 -0.41 -0.45 -0.07 -1.18 0.00 0.00 179.01 176.96 1jwd h LEU 42 N -0.68 0.00 -2.50 1.64 3.38 -0.79 -3.49 115.31 112.86 1jwd h LEU 42 Ca -0.07 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.68 1jwd h LEU 42 Cb 0.52 0.00 0.18 0.00 0.09 0.00 0.00 40.66 41.45 1jwd h LEU 42 CO 0.11 0.24 -0.77 0.41 0.09 0.00 0.00 178.44 178.51 1jwd n THR 43 N -3.07 -8.44 -1.13 0.22 -1.04 -1.08 -4.82 114.28 94.93 1jwd n THR 43 Ca 0.01 -1.22 -0.36 0.00 -2.04 0.00 0.00 64.05 60.44 1jwd n THR 43 Cb 0.64 -6.21 -0.03 0.00 -1.82 0.00 0.00 70.33 62.90 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 -3.06 2.50 -0.07 12.58 -5.35 -1.26 -4.74 119.36 119.97 1jwd n ILE 44 Ca -0.06 -1.86 0.24 0.00 -0.27 0.00 0.00 62.75 60.80 1jwd n ILE 44 Cb 0.61 -2.33 0.71 0.00 -1.74 0.00 0.00 39.64 36.89 1jwd n ILE 44 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1jwd h GLY 45 N 10.84 0.00 2.00 3.28 0.00 -1.93 0.10 103.07 117.37 1jwd h GLY 45 Ca 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.81 1jwd h GLY 45 CO 1.77 0.00 -0.12 1.48 0.00 0.00 0.00 176.54 179.67 1jwd h SER 46 N 0.00 0.00 0.00 0.19 4.64 -2.01 -3.47 113.55 112.90 1jwd h SER 46 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1jwd h SER 46 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1jwd h SER 46 CO -0.00 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 1jwd n LYS 47 N -3.29 0.00 0.28 4.77 5.02 0.35 -4.60 118.16 120.69 1jwd n LYS 47 Ca 0.00 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.44 1jwd n LYS 47 Cb 0.36 -0.04 0.80 0.00 -0.02 0.00 0.00 35.03 36.12 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 0.00 -2.40 -0.35 -0.00 -1.91 0.96 115.31 111.60 1jwd h LEU 48 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1jwd h LEU 48 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1jwd h LEU 48 CO 0.00 0.00 0.16 1.56 -0.00 0.00 0.00 178.44 180.16 1jwd h GLN 49 N 0.00 0.00 -0.93 1.13 1.08 -1.90 -3.22 115.11 111.27 1jwd h GLN 49 Ca 0.00 0.00 0.27 0.00 -1.45 0.00 0.00 58.65 57.47 1jwd h GLN 49 Cb 0.39 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.66 1jwd h GLN 49 CO 0.00 0.00 0.16 0.38 -0.95 0.00 0.00 178.83 178.42 1jwd h ASP 50 N 0.00 -0.21 -0.62 1.46 2.03 -1.19 0.41 116.42 118.31 1jwd h ASP 50 Ca 0.04 0.24 0.08 0.00 -0.73 0.00 0.00 57.03 56.66 1jwd h ASP 50 Cb 0.37 0.37 -0.06 0.00 -0.83 0.00 0.00 39.33 39.17 1jwd h ASP 50 CO -0.00 -0.28 0.28 0.00 -1.03 0.00 0.00 179.24 178.21 1jwd h ALA 51 N 1.89 0.81 -0.17 4.15 0.00 -1.82 0.21 119.26 124.34 1jwd h ALA 51 Ca 0.59 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 1jwd h ALA 51 Cb 1.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1jwd h ALA 51 CO -0.79 -0.12 0.05 0.93 0.00 0.00 0.00 179.25 179.33 1jwd h GLU 52 N 0.50 0.26 -0.74 0.00 5.08 -0.52 -2.79 114.58 116.37 1jwd h GLU 52 Ca 0.30 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.71 1jwd h GLU 52 Cb 0.31 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 1jwd h GLU 52 CO -0.26 0.38 0.37 0.82 -1.00 0.00 0.00 179.01 179.32 1jwd h ILE 53 N 0.09 0.83 -0.39 3.13 1.08 0.08 0.05 117.51 122.37 1jwd h ILE 53 Ca 0.05 -0.21 -0.12 0.00 -0.39 0.00 0.00 64.86 64.19 1jwd h ILE 53 Cb 0.23 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 1jwd h ILE 53 CO -0.00 0.11 -0.24 -0.37 -0.69 0.00 0.00 178.15 176.96 1jwd h VAL 54 N 0.61 1.27 0.14 1.67 -1.51 -0.48 0.43 116.25 118.38 1jwd h VAL 54 Ca 0.37 -1.36 -0.01 0.00 -1.23 0.00 0.00 66.70 64.47 1jwd h VAL 54 Cb 0.42 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 30.80 1jwd h VAL 54 CO -0.29 0.46 -0.08 0.50 -1.23 0.00 0.00 177.57 176.93 1jwd h LYS 55 N 0.69 -0.20 -0.77 5.19 1.63 -1.13 0.68 116.57 122.66 1jwd h LYS 55 Ca 0.09 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.98 1jwd h LYS 55 Cb 0.76 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.37 1jwd h LYS 55 CO 0.06 -0.13 0.44 1.25 -3.45 0.00 0.00 179.45 177.61 1jwd h LEU 56 N -0.21 0.64 -0.61 5.20 6.46 -0.77 0.14 115.31 126.17 1jwd h LEU 56 Ca -0.02 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1jwd h LEU 56 Cb 0.17 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 1jwd h LEU 56 CO 0.02 0.39 0.33 -0.03 -0.62 0.00 0.00 178.44 178.53 1jwd h MET 57 N 0.77 0.85 -0.18 1.25 4.05 0.09 0.67 114.93 122.42 1jwd h MET 57 Ca 0.36 -0.10 0.01 0.00 -0.28 0.00 0.00 59.70 59.69 1jwd h MET 57 Cb 0.27 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 1jwd h MET 57 CO -0.22 0.65 0.08 0.22 0.23 0.00 0.00 176.91 177.87 1jwd h ASP 58 N 0.83 0.11 -0.22 1.39 3.58 0.10 0.21 116.42 122.42 1jwd h ASP 58 Ca 0.21 0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.72 1jwd h ASP 58 Cb 0.05 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.04 1jwd h ASP 58 CO -0.03 0.09 -0.09 0.44 -2.88 0.00 0.00 179.24 176.77 1jwd h ASP 59 N 0.18 -0.30 0.51 2.28 3.32 -0.41 0.18 116.42 122.16 1jwd h ASP 59 Ca 0.07 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1jwd h ASP 59 Cb 0.03 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1jwd h ASP 59 CO -0.06 -0.12 -0.37 -0.07 -1.72 0.00 0.00 179.24 176.90 1jwd h LEU 60 N -0.05 -0.96 -1.75 1.55 3.38 -0.69 -3.15 115.31 113.64 1jwd h LEU 60 Ca 0.11 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1jwd h LEU 60 Cb 0.22 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jwd h LEU 60 CO -0.26 -0.55 -0.08 -2.24 0.09 0.00 0.00 178.44 175.40 1jwd h ASP 61 N -0.86 0.00 -1.15 -0.43 3.04 -0.28 -3.10 116.42 113.64 1jwd h ASP 61 Ca -0.05 0.00 0.43 0.00 -3.24 0.00 0.00 57.03 54.17 1jwd h ASP 61 Cb 0.72 0.00 -0.15 0.00 -1.04 0.00 0.00 39.33 38.86 1jwd h ASP 61 CO 0.02 0.08 0.70 -1.14 -2.04 0.00 0.00 179.24 176.86 1jwd n ARG 62 N -3.31 -0.04 -0.05 4.15 0.63 0.59 0.49 116.66 119.12 1jwd n ARG 62 Ca -0.01 1.25 -0.01 0.00 -0.92 0.00 0.00 57.85 58.16 1jwd n ARG 62 Cb 0.28 -2.36 -0.01 0.00 0.45 0.00 0.00 32.46 30.81 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 -4.86 -0.13 -0.88 6.15 5.15 -1.17 -3.46 115.26 116.05 1jwd n ASN 63 Ca 0.38 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.60 1jwd n ASN 63 Cb 1.38 -0.04 -0.01 0.00 -0.53 0.00 0.00 39.78 40.58 1jwd n ASN 63 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1jwd n LYS 64 N -3.77 0.00 0.00 1.20 5.02 0.27 -5.02 118.16 115.86 1jwd n LYS 64 Ca 0.00 -1.11 0.00 0.00 -2.02 0.00 0.00 58.31 55.18 1jwd n LYS 64 Cb 0.03 -0.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 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 0.15 0.00 0.11 4.39 5.68 0.18 -4.13 116.55 122.93 1jwd n ASP 65 Ca -0.03 0.00 -0.23 0.00 -0.50 0.00 0.00 54.79 54.03 1jwd n ASP 65 Cb 0.80 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.63 1jwd n ASP 65 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1jwd h GLN 66 N 0.00 0.57 -5.03 0.11 4.20 -1.95 -3.43 115.11 109.58 1jwd h GLN 66 Ca 0.00 -0.86 -0.35 0.00 0.06 0.00 0.00 58.65 57.50 1jwd h GLN 66 Cb 0.00 0.30 -0.20 0.00 0.30 0.00 0.00 27.48 27.89 1jwd h GLN 66 CO 0.00 1.40 -0.75 -1.83 -0.67 0.00 0.00 178.83 176.98 1jwd s GLU 67 N -2.78 0.78 -0.18 1.46 1.03 -1.26 -0.83 118.70 116.92 1jwd s GLU 67 Ca -0.10 -1.00 -0.08 0.00 0.03 0.00 0.00 54.97 53.82 1jwd s GLU 67 Cb 0.05 -0.60 -0.04 0.00 -0.80 0.00 0.00 34.13 32.73 1jwd s GLU 67 CO 0.93 0.11 0.07 0.54 -1.33 0.00 0.00 175.26 175.59 1jwd s VAL 68 N -1.80 4.90 0.32 1.83 0.11 0.44 -2.87 120.40 123.33 1jwd s VAL 68 Ca -0.00 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 1jwd s VAL 68 Cb -0.07 -3.21 -0.07 0.00 -1.53 0.00 0.00 36.38 31.51 1jwd s VAL 68 CO 0.01 0.46 0.66 0.54 -3.33 0.00 0.00 175.10 173.44 1jwd s ASN 69 N 0.33 6.56 0.22 3.54 2.20 -1.26 -0.79 114.94 125.74 1jwd s ASN 69 Ca 0.04 0.99 -0.16 0.00 -0.94 0.00 0.00 52.86 52.79 1jwd s ASN 69 Cb -0.12 -2.26 0.25 0.00 -2.00 0.00 0.00 41.25 37.12 1jwd s ASN 69 CO -0.00 -0.24 1.57 0.15 -2.94 0.00 0.00 177.10 175.64 1jwd h PHE 70 N 1.80 -0.83 -0.87 1.54 3.57 -1.33 0.13 116.94 120.96 1jwd h PHE 70 Ca -0.47 0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.12 1jwd h PHE 70 Cb 1.18 0.49 -0.04 0.00 2.79 0.00 0.00 35.95 40.37 1jwd h PHE 70 CO 0.60 -0.39 0.57 0.37 -2.23 0.00 0.00 178.31 177.23 1jwd h GLN 71 N -0.05 1.15 -0.16 1.11 5.75 -1.95 0.17 115.11 121.12 1jwd h GLN 71 Ca 0.33 -0.07 -0.19 0.00 -0.15 0.00 0.00 58.65 58.57 1jwd h GLN 71 Cb 0.59 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1jwd h GLN 71 CO -0.86 0.76 -0.68 1.49 -2.65 0.00 0.00 178.83 176.90 1jwd h GLU 72 N 1.18 0.66 -0.04 1.69 4.57 -1.61 -1.23 114.58 119.79 1jwd h GLU 72 Ca 0.32 -0.49 0.04 0.00 -1.18 0.00 0.00 59.36 58.05 1jwd h GLU 72 Cb -0.13 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.50 1jwd h GLU 72 CO -0.07 1.11 -0.26 -0.92 -1.18 0.00 0.00 179.01 177.69 1jwd h TYR 73 N 0.47 -0.70 0.06 0.92 3.20 -0.18 0.29 116.97 121.03 1jwd h TYR 73 Ca -0.02 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1jwd h TYR 73 Cb 1.27 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.83 1jwd h TYR 73 CO 0.06 -0.35 -0.19 0.82 -1.64 0.00 0.00 178.16 176.86 1jwd h ILE 74 N -0.38 0.55 -0.51 1.81 1.08 -0.91 0.55 117.51 119.70 1jwd h ILE 74 Ca 0.08 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.64 1jwd h ILE 74 Cb 0.48 0.55 -0.08 0.00 -3.07 0.00 0.00 36.82 34.71 1jwd h ILE 74 CO -0.26 0.00 0.07 0.74 -0.69 0.00 0.00 178.15 178.01 1jwd h THR 75 N -0.34 0.67 -0.53 -0.27 2.02 -0.96 0.94 112.91 114.44 1jwd h THR 75 Ca 0.04 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 1jwd h THR 75 Cb 0.39 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1jwd h THR 75 CO -0.14 0.04 0.19 0.15 0.37 0.00 0.00 175.52 176.13 1jwd h PHE 76 N 0.20 0.84 -0.74 3.16 3.57 0.03 0.22 116.94 124.21 1jwd h PHE 76 Ca 0.26 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.75 1jwd h PHE 76 Cb 0.37 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 1jwd h PHE 76 CO -0.26 0.70 0.48 -0.07 -2.23 0.00 0.00 178.31 176.94 1jwd h LEU 77 N 0.73 0.69 -0.77 0.59 3.38 -0.19 0.22 115.31 119.95 1jwd h LEU 77 Ca 0.18 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1jwd h LEU 77 Cb 0.24 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1jwd h LEU 77 CO -0.01 0.45 0.49 1.23 0.09 0.00 0.00 178.44 180.69 1jwd h GLY 78 N 0.79 1.12 0.90 0.83 0.00 0.10 0.15 103.07 106.96 1jwd h GLY 78 Ca 0.31 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1jwd h GLY 78 CO -0.10 0.31 0.07 0.00 0.00 0.00 0.00 176.54 176.81 1jwd h ALA 79 N 1.33 0.20 -0.37 3.60 0.00 0.14 0.79 119.26 124.94 1jwd h ALA 79 Ca 0.31 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1jwd h ALA 79 Cb 0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1jwd h ALA 79 CO -0.12 -0.23 -0.04 1.25 0.00 0.00 0.00 179.25 180.11 1jwd h LEU 80 N 0.11 -0.24 -0.34 0.00 5.85 -0.40 0.17 115.31 120.47 1jwd h LEU 80 Ca 0.05 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1jwd h LEU 80 Cb 0.14 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1jwd h LEU 80 CO -0.01 -0.08 0.17 0.00 -0.34 0.00 0.00 178.44 178.19 1jwd h ALA 81 N 1.35 0.41 -0.80 1.25 0.00 -0.54 0.23 119.26 121.16 1jwd h ALA 81 Ca 0.18 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1jwd h ALA 81 Cb 0.27 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1jwd h ALA 81 CO -0.34 -0.20 0.35 1.98 0.00 0.00 0.00 179.25 181.04 1jwd h MET 82 N 0.36 1.18 -0.22 0.00 1.85 -0.05 -1.86 114.93 116.20 1jwd h MET 82 Ca 0.14 -0.20 0.02 0.00 -0.61 0.00 0.00 59.70 59.06 1jwd h MET 82 Cb 0.04 -0.20 -0.02 0.00 0.43 0.00 0.00 31.60 31.85 1jwd h MET 82 CO -0.09 0.93 0.06 0.82 -0.40 0.00 0.00 176.91 178.24 1jwd h ILE 83 N 1.15 0.93 0.00 1.77 2.04 -0.32 -1.66 117.51 121.43 1jwd h ILE 83 Ca 0.27 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 1jwd h ILE 83 Cb 0.17 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1jwd h ILE 83 CO -0.03 0.03 -0.00 -1.22 0.00 0.00 0.00 178.15 176.93 1jwd n TYR 84 N -5.06 0.00 -0.45 1.37 4.01 0.04 -4.56 117.16 112.51 1jwd n TYR 84 Ca -0.02 -0.63 0.38 0.00 -0.16 0.00 0.00 57.90 57.47 1jwd n TYR 84 Cb 0.08 -0.52 0.71 0.00 -0.31 0.00 0.00 39.34 39.31 1jwd n TYR 84 CO 0.00 0.00 0.00 -2.95 -0.46 0.00 0.00 176.86 173.45 1jwd h ASN 85 N 2.63 0.12 -0.96 7.72 7.08 -1.12 0.13 115.58 131.18 1jwd h ASN 85 Ca 0.02 0.04 0.24 0.00 -3.08 0.00 0.00 56.30 53.53 1jwd h ASN 85 Cb 0.63 0.03 -0.13 0.00 -2.08 0.00 0.00 38.32 36.77 1jwd h ASN 85 CO 0.06 -0.03 0.51 -0.33 -2.08 0.00 0.00 177.43 175.56 1jwd h GLU 86 N 0.08 0.47 -0.63 4.14 3.07 -1.88 0.27 114.58 120.10 1jwd h GLU 86 Ca 0.72 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.53 1jwd h GLU 86 Cb 2.59 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 30.37 1jwd h GLU 86 CO -0.15 0.31 0.29 0.00 -1.40 0.00 0.00 179.01 178.07 1jwd h ALA 87 N 1.74 1.33 0.05 3.43 0.00 -1.06 0.13 119.26 124.88 1jwd h ALA 87 Ca 0.62 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1jwd h ALA 87 Cb 1.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1jwd h ALA 87 CO -0.51 0.52 -0.02 -0.07 0.00 0.00 0.00 179.25 179.16 1jwd h LEU 88 N 0.89 -0.06 -0.73 0.00 3.38 -0.71 -3.22 115.31 114.87 1jwd h LEU 88 Ca 0.22 -0.31 0.12 0.00 0.09 0.00 0.00 57.88 58.00 1jwd h LEU 88 Cb 0.11 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 1jwd h LEU 88 CO -0.03 0.28 0.32 0.11 0.09 0.00 0.00 178.44 179.21 1jwd h LYS 89 N -0.40 0.49 0.00 1.13 1.79 -0.36 -3.52 116.57 115.70 1jwd h LYS 89 Ca -0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1jwd h LYS 89 Cb 0.36 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1jwd h LYS 89 CO 0.01 0.33 0.00 0.41 -1.08 0.00 0.00 179.45 179.12