#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 3.04 0.00 -1.26 -4.66 120.51 117.31 1jwd n ALA 2 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 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 0.77 0.00 0.00 0.00 177.50 178.27 1jwd h SER 3 N 0.00 -0.62 -0.60 0.00 0.02 -2.05 0.93 113.55 111.23 1jwd h SER 3 Ca 0.00 0.26 0.09 0.00 -0.84 0.00 0.00 61.79 61.31 1jwd h SER 3 Cb 0.00 0.50 -0.07 0.00 0.14 0.00 0.00 62.40 62.96 1jwd h SER 3 CO 0.00 -0.30 0.21 -0.65 -1.14 0.00 0.00 176.83 174.95 1jwd h PRO 4 N 0.02 0.37 -0.06 3.45 0.11 -2.00 0.67 132.00 134.56 1jwd h PRO 4 Ca 0.50 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.50 1jwd h PRO 4 Cb 0.89 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1jwd h PRO 4 CO -0.88 0.25 -0.29 1.25 -0.21 0.00 0.00 178.00 178.11 1jwd h LEU 5 N 0.38 0.35 -0.50 2.35 5.85 -1.32 -3.10 115.31 119.33 1jwd h LEU 5 Ca 0.30 -0.66 0.10 0.00 0.84 0.00 0.00 57.88 58.46 1jwd h LEU 5 Cb 0.38 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 1jwd h LEU 5 CO -0.31 0.96 0.01 0.44 -0.34 0.00 0.00 178.44 179.19 1jwd h ASP 6 N -0.23 -0.20 -0.75 1.25 3.32 -0.45 0.13 116.42 119.50 1jwd h ASP 6 Ca -0.02 0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1jwd h ASP 6 Cb 0.95 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 1jwd h ASP 6 CO 0.06 -0.06 0.40 0.06 -1.72 0.00 0.00 179.24 177.97 1jwd h GLN 7 N 0.12 1.08 0.26 3.56 3.07 -0.98 0.20 115.11 122.42 1jwd h GLN 7 Ca 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 58.65 58.85 1jwd h GLN 7 Cb 0.38 -0.21 0.00 0.00 0.08 0.00 0.00 27.48 27.73 1jwd h GLN 7 CO -0.41 0.81 -0.12 0.00 0.09 0.00 0.00 178.83 179.19 1jwd h ALA 8 N 1.36 -0.35 -0.60 0.06 0.00 -0.78 0.31 119.26 119.26 1jwd h ALA 8 Ca 0.27 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1jwd h ALA 8 Cb 0.06 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1jwd h ALA 8 CO -0.04 -0.52 0.33 -0.84 0.00 0.00 0.00 179.25 178.18 1jwd h ILE 9 N -0.70 0.99 -0.93 0.00 3.07 -0.90 -0.79 117.51 118.25 1jwd h ILE 9 Ca -0.04 -0.22 0.24 0.00 1.55 0.00 0.00 64.86 66.40 1jwd h ILE 9 Cb 0.48 0.30 -0.13 0.00 -0.27 0.00 0.00 36.82 37.20 1jwd h ILE 9 CO 0.06 0.12 0.43 1.23 -1.05 0.00 0.00 178.15 178.94 1jwd h GLY 10 N 0.63 1.66 0.93 0.16 0.00 -0.43 -0.18 103.07 105.84 1jwd h GLY 10 Ca 0.26 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 1jwd h GLY 10 CO -0.15 -0.32 -0.44 -2.00 0.00 0.00 0.00 176.54 173.62 1jwd h LEU 11 N 0.39 -1.05 -0.59 3.11 7.12 0.11 0.26 115.31 124.66 1jwd h LEU 11 Ca 0.60 0.04 0.11 0.00 0.13 0.00 0.00 57.88 58.76 1jwd h LEU 11 Cb 1.20 0.27 -0.09 0.00 -0.53 0.00 0.00 40.66 41.52 1jwd h LEU 11 CO -0.55 -0.73 0.11 -0.07 -0.13 0.00 0.00 178.44 177.07 1jwd h LEU 12 N -1.30 -0.02 0.33 2.25 4.07 -1.09 0.78 115.31 120.33 1jwd h LEU 12 Ca -0.13 0.11 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1jwd h LEU 12 Cb 0.95 0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1jwd h LEU 12 CO 0.21 -0.00 -0.16 0.40 -1.08 0.00 0.00 178.44 177.81 1jwd h ILE 13 N 0.24 0.68 -0.18 1.22 2.04 -0.97 -1.06 117.51 119.48 1jwd h ILE 13 Ca 0.31 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 66.18 1jwd h ILE 13 Cb 0.46 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1jwd h ILE 13 CO -0.40 0.01 -0.07 1.23 0.00 0.00 0.00 178.15 178.91 1jwd h GLY 14 N -0.46 0.10 0.09 5.37 0.00 0.18 0.72 103.07 109.07 1jwd h GLY 14 Ca -0.05 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.38 1jwd h GLY 14 CO 0.08 -0.09 -0.44 -2.22 0.00 0.00 0.00 176.54 173.86 1jwd h ILE 15 N -0.04 0.00 -0.27 2.60 2.04 -0.81 0.97 117.51 122.01 1jwd h ILE 15 Ca 0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.02 1jwd h ILE 15 Cb 0.18 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.18 1jwd h ILE 15 CO -0.21 0.00 -0.27 0.15 0.00 0.00 0.00 178.15 177.82 1jwd h PHE 16 N -0.62 -0.73 0.00 1.37 3.04 -0.59 -1.83 116.94 117.59 1jwd h PHE 16 Ca -0.00 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 61.92 1jwd h PHE 16 Cb 0.63 0.36 -0.01 0.00 2.56 0.00 0.00 35.95 39.49 1jwd h PHE 16 CO -0.44 -0.34 -0.34 0.45 -2.02 0.00 0.00 178.31 175.62 1jwd h HIS 17 N -0.26 0.00 0.32 0.41 3.86 -0.73 0.11 115.15 118.86 1jwd h HIS 17 Ca 0.14 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1jwd h HIS 17 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1jwd h HIS 17 CO -0.43 0.34 -0.15 -0.22 0.86 0.00 0.00 177.93 178.33 1jwd h LYS 18 N 0.00 -0.42 -0.78 2.45 3.64 -0.19 0.25 116.57 121.52 1jwd h LYS 18 Ca -0.00 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1jwd h LYS 18 Cb 1.03 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1jwd h LYS 18 CO 0.04 -0.18 0.32 1.88 -2.27 0.00 0.00 179.45 179.24 1jwd h TYR 19 N -0.59 1.18 -0.17 1.91 0.05 -1.06 -1.19 116.97 117.10 1jwd h TYR 19 Ca -0.04 -0.08 0.01 0.00 0.05 0.00 0.00 58.73 58.66 1jwd h TYR 19 Cb 0.43 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 1jwd h TYR 19 CO -0.02 0.89 0.10 0.77 -1.05 0.00 0.00 178.16 178.85 1jwd h SER 20 N 1.13 0.17 -0.90 3.88 0.02 -0.76 -2.66 113.55 114.43 1jwd h SER 20 Ca 0.26 0.00 0.22 0.00 -0.84 0.00 0.00 61.79 61.43 1jwd h SER 20 Cb 0.21 -0.04 -0.16 0.00 0.14 0.00 0.00 62.40 62.55 1jwd h SER 20 CO -0.02 0.12 -0.01 1.23 -1.14 0.00 0.00 176.83 177.01 1jwd h GLY 21 N 0.21 1.02 -0.06 -3.77 0.00 0.35 0.21 103.07 101.03 1jwd h GLY 21 Ca 0.07 0.16 0.24 0.00 0.00 0.00 0.00 47.33 47.80 1jwd h GLY 21 CO -0.03 -0.40 0.64 1.70 0.00 0.00 0.00 176.54 178.44 1jwd h LYS 22 N 0.05 0.49 -0.53 4.80 3.64 -0.88 0.84 116.57 124.98 1jwd h LYS 22 Ca 0.51 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.58 1jwd h LYS 22 Cb 0.96 -0.11 -0.17 0.00 -0.41 0.00 0.00 32.23 32.51 1jwd h LYS 22 CO -0.83 0.32 0.08 -0.85 -2.27 0.00 0.00 179.45 175.90 1jwd n GLU 23 N -4.70 1.99 -0.61 1.90 0.28 0.67 -5.01 120.64 115.16 1jwd n GLU 23 Ca 0.25 -3.19 0.00 0.00 -0.16 0.00 0.00 57.16 54.06 1jwd n GLU 23 Cb 0.78 -1.92 0.00 0.00 1.43 0.00 0.00 31.44 31.73 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 -1.12 -2.85 3.75 -1.84 0.00 0.29 -4.96 105.19 98.46 1jwd n GLY 24 Ca 0.40 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 6.48 -0.05 1.61 2.15 -1.22 -4.25 116.67 121.38 1jwd s ASP 25 Ca 0.00 2.84 -0.31 0.00 0.43 0.00 0.00 52.55 55.51 1jwd s ASP 25 Cb 0.00 -2.63 0.11 0.00 -0.30 0.00 0.00 42.92 40.10 1jwd s ASP 25 CO 0.00 -0.84 1.01 -1.59 -0.17 0.00 0.00 175.17 173.58 1jwd s LYS 26 N -0.39 0.67 0.00 4.34 -2.85 -1.26 -4.90 119.74 115.35 1jwd s LYS 26 Ca 0.62 -0.27 0.00 0.00 -1.00 0.00 0.00 55.97 55.32 1jwd s LYS 26 Cb -0.46 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.61 1jwd s LYS 26 CO 0.46 -0.30 1.30 0.72 0.10 0.00 0.00 175.35 177.63 1jwd n HIS 27 N -0.23 0.00 -3.63 1.78 8.25 -1.26 -4.66 115.22 115.48 1jwd n HIS 27 Ca -0.06 -0.65 -0.12 0.00 -0.26 0.00 0.00 57.72 56.63 1jwd n HIS 27 Cb 0.61 -0.33 -0.12 0.00 1.12 0.00 0.00 29.99 31.27 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 0.03 -0.48 0.12 1.59 -4.23 -1.26 -0.83 115.64 110.58 1jwd s THR 28 Ca 0.00 0.20 -0.16 0.00 -1.18 0.00 0.00 61.69 60.55 1jwd s THR 28 Cb 0.00 -0.54 -0.07 0.00 1.34 0.00 0.00 72.50 73.23 1jwd s THR 28 CO 0.00 0.06 0.55 -0.76 -0.54 0.00 0.00 174.62 173.94 1jwd s LEU 29 N 2.47 4.39 0.59 4.79 1.43 -0.05 -4.88 118.68 127.41 1jwd s LEU 29 Ca 0.02 1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 54.11 1jwd s LEU 29 Cb -0.13 -3.16 -0.05 0.00 0.03 0.00 0.00 46.19 42.89 1jwd s LEU 29 CO -0.10 0.15 1.02 -0.94 0.23 0.00 0.00 176.35 176.71 1jwd s SER 30 N -1.54 6.20 0.21 2.29 1.04 -1.26 -0.40 113.70 120.24 1jwd s SER 30 Ca 0.35 1.55 -0.10 0.00 0.48 0.00 0.00 55.95 58.23 1jwd s SER 30 Cb -0.16 -2.50 0.30 0.00 0.10 0.00 0.00 66.02 63.76 1jwd s SER 30 CO 0.19 -0.88 1.70 0.07 0.98 0.00 0.00 173.24 175.30 1jwd h LYS 31 N 0.17 0.22 -0.06 4.02 2.10 -1.09 0.12 116.57 122.05 1jwd h LYS 31 Ca -0.45 -0.01 -0.18 0.00 -2.00 0.00 0.00 60.65 58.01 1jwd h LYS 31 Cb 1.19 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 1jwd h LYS 31 CO 0.61 0.15 -0.72 0.87 -2.00 0.00 0.00 179.45 178.35 1jwd h LYS 32 N 0.23 0.33 -0.44 0.07 1.57 -1.93 0.04 116.57 116.44 1jwd h LYS 32 Ca 0.32 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1jwd h LYS 32 Cb 0.48 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1jwd h LYS 32 CO -0.43 0.92 0.21 1.49 -0.57 0.00 0.00 179.45 181.07 1jwd h GLU 33 N 0.23 0.64 -0.37 3.15 4.57 -1.68 0.11 114.58 121.23 1jwd h GLU 33 Ca -0.03 -0.10 0.07 0.00 -1.18 0.00 0.00 59.36 58.12 1jwd h GLU 33 Cb 1.29 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.71 1jwd h GLU 33 CO 0.12 0.55 -0.00 1.25 -1.18 0.00 0.00 179.01 179.75 1jwd h LEU 34 N 0.57 -0.15 -0.63 1.64 7.12 -0.61 0.94 115.31 124.18 1jwd h LEU 34 Ca 0.15 0.09 0.08 0.00 0.13 0.00 0.00 57.88 58.33 1jwd h LEU 34 Cb 0.13 0.15 -0.06 0.00 -0.53 0.00 0.00 40.66 40.35 1jwd h LEU 34 CO -0.02 -0.04 0.30 0.50 -0.13 0.00 0.00 178.44 179.05 1jwd h LYS 35 N 0.10 0.52 -0.13 1.25 3.64 -0.18 0.27 116.57 122.04 1jwd h LYS 35 Ca 0.18 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1jwd h LYS 35 Cb 0.25 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 1jwd h LYS 35 CO -0.30 0.34 -0.13 1.49 -2.27 0.00 0.00 179.45 178.58 1jwd h GLU 36 N 0.54 -0.15 -0.71 1.90 4.22 0.09 0.15 114.58 120.61 1jwd h GLU 36 Ca 0.31 0.01 0.12 0.00 0.08 0.00 0.00 59.36 59.88 1jwd h GLU 36 Cb 0.30 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.46 1jwd h GLU 36 CO -0.25 -0.10 -0.32 1.25 -2.18 0.00 0.00 179.01 177.41 1jwd h LEU 37 N -0.16 -1.13 -0.36 1.64 6.46 0.03 0.13 115.31 121.93 1jwd h LEU 37 Ca 0.09 0.25 -0.05 0.00 -0.12 0.00 0.00 57.88 58.05 1jwd h LEU 37 Cb 0.29 0.59 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 1jwd h LEU 37 CO -0.23 -0.29 0.03 0.40 -0.62 0.00 0.00 178.44 177.73 1jwd h ILE 38 N -0.10 1.25 -0.63 4.05 2.04 0.09 0.19 117.51 124.40 1jwd h ILE 38 Ca 0.28 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.24 1jwd h ILE 38 Cb 0.56 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 1jwd h ILE 38 CO -0.77 0.31 0.41 1.56 0.00 0.00 0.00 178.15 179.66 1jwd h GLN 39 N 0.44 0.82 0.22 2.37 1.08 -0.04 0.32 115.11 120.31 1jwd h GLN 39 Ca 0.10 -0.05 -0.32 0.00 -1.45 0.00 0.00 58.65 56.93 1jwd h GLN 39 Cb 0.41 -0.18 0.03 0.00 -0.05 0.00 0.00 27.48 27.69 1jwd h GLN 39 CO 0.01 0.54 -1.42 -0.22 -0.95 0.00 0.00 178.83 176.79 1jwd h LYS 40 N 0.84 0.46 0.00 1.46 3.64 -0.56 -2.59 116.57 119.82 1jwd h LYS 40 Ca 0.23 -0.79 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1jwd h LYS 40 Cb -0.08 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1jwd h LYS 40 CO -0.06 1.38 -0.01 0.93 -2.27 0.00 0.00 179.45 179.43 1jwd h GLU 41 N 0.13 0.00 0.10 1.90 4.39 -0.64 -3.42 114.58 117.04 1jwd h GLU 41 Ca -0.22 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.33 1jwd h GLU 41 Cb 2.12 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.78 1jwd h GLU 41 CO 0.26 0.00 -0.66 -0.07 -1.16 0.00 0.00 179.01 177.37 1jwd h LEU 42 N -0.88 0.34 -2.14 1.33 3.38 -0.56 -3.49 115.31 113.29 1jwd h LEU 42 Ca 0.00 -0.95 -0.27 0.00 0.09 0.00 0.00 57.88 56.75 1jwd h LEU 42 Cb 0.01 -0.11 0.18 0.00 0.09 0.00 0.00 40.66 40.83 1jwd h LEU 42 CO 0.00 1.31 -0.79 0.41 0.09 0.00 0.00 178.44 179.47 1jwd n THR 43 N -4.24 -7.56 -1.69 0.22 -1.04 -0.45 -4.90 114.28 94.63 1jwd n THR 43 Ca -0.14 -0.96 -0.42 0.00 -2.04 0.00 0.00 64.05 60.49 1jwd n THR 43 Cb 0.74 -5.77 -0.03 0.00 -1.82 0.00 0.00 70.33 63.45 1jwd n THR 43 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1jwd s ILE 44 N -3.36 3.05 0.27 12.58 -0.00 -1.26 -4.87 121.20 127.61 1jwd s ILE 44 Ca 0.26 0.06 0.08 0.00 -0.00 0.00 0.00 60.65 61.04 1jwd s ILE 44 Cb -0.03 -3.04 -0.01 0.00 -0.00 0.00 0.00 42.46 39.38 1jwd s ILE 44 CO 0.70 -0.01 1.63 1.23 -0.00 0.00 0.00 174.94 178.50 1jwd h GLY 45 N 10.94 0.15 -7.04 6.27 0.00 -1.99 -3.38 103.07 108.02 1jwd h GLY 45 Ca -0.48 -0.17 -0.49 0.00 0.00 0.00 0.00 47.33 46.18 1jwd h GLY 45 CO 0.94 0.15 1.69 -1.26 0.00 0.00 0.00 176.54 178.06 1jwd n SER 46 N -3.90 2.93 0.32 0.19 2.88 -1.26 -4.77 113.62 110.01 1jwd n SER 46 Ca -0.02 -2.70 0.20 0.00 -1.33 0.00 0.00 58.87 55.02 1jwd n SER 46 Cb 0.57 -1.47 1.06 0.00 -0.75 0.00 0.00 64.21 63.62 1jwd n SER 46 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1jwd h LYS 47 N 8.76 0.00 -1.00 -1.46 1.79 -2.01 0.11 116.57 122.77 1jwd h LYS 47 Ca 0.32 0.00 0.30 0.00 -2.18 0.00 0.00 60.65 59.09 1jwd h LYS 47 Cb 0.81 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.32 1jwd h LYS 47 CO 1.57 0.01 0.58 1.25 -1.08 0.00 0.00 179.45 181.78 1jwd h LEU 48 N 0.00 0.57 0.00 2.94 6.46 -1.96 0.72 115.31 124.04 1jwd h LEU 48 Ca -0.00 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1jwd h LEU 48 Cb 0.10 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1jwd h LEU 48 CO 0.00 -0.06 0.00 0.00 -0.62 0.00 0.00 178.44 177.76 1jwd n GLN 49 N -5.00 0.86 -0.31 1.25 6.02 0.39 -3.60 117.38 117.00 1jwd n GLN 49 Ca 0.30 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.42 1jwd n GLN 49 Cb 0.91 -1.27 0.31 0.00 1.02 0.00 0.00 30.24 31.21 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 0.00 0.36 -0.60 1.08 1.82 -1.01 0.30 116.42 118.37 1jwd h ASP 50 Ca 0.00 0.15 0.12 0.00 -0.39 0.00 0.00 57.03 56.91 1jwd h ASP 50 Cb 0.00 0.12 -0.10 0.00 0.68 0.00 0.00 39.33 40.04 1jwd h ASP 50 CO 0.00 0.02 0.06 0.00 -1.61 0.00 0.00 179.24 177.71 1jwd h ALA 51 N 1.70 0.65 -0.58 -0.78 0.00 -1.80 0.11 119.26 118.56 1jwd h ALA 51 Ca 0.56 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.58 1jwd h ALA 51 Cb 1.05 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1jwd h ALA 51 CO -0.52 -0.36 0.17 0.93 0.00 0.00 0.00 179.25 179.47 1jwd h GLU 52 N 0.18 0.91 -0.27 0.00 5.08 -0.77 0.02 114.58 119.73 1jwd h GLU 52 Ca 0.32 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1jwd h GLU 52 Cb 0.50 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1jwd h GLU 52 CO -0.47 0.82 0.04 0.82 -1.00 0.00 0.00 179.01 179.23 1jwd h ILE 53 N 0.82 0.86 -0.08 3.13 1.08 0.24 0.81 117.51 124.36 1jwd h ILE 53 Ca 0.18 -0.05 -0.11 0.00 -0.39 0.00 0.00 64.86 64.50 1jwd h ILE 53 Cb 0.31 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 1jwd h ILE 53 CO -0.00 0.02 -0.45 -0.37 -0.69 0.00 0.00 178.15 176.67 1jwd h VAL 54 N 0.14 1.33 0.24 1.67 -1.51 -0.48 0.30 116.25 117.94 1jwd h VAL 54 Ca 0.12 -1.60 -0.00 0.00 -1.23 0.00 0.00 66.70 63.99 1jwd h VAL 54 Cb 0.14 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 1jwd h VAL 54 CO -0.18 0.47 -0.16 0.50 -1.23 0.00 0.00 177.57 176.97 1jwd h LYS 55 N 0.16 -0.39 -0.69 5.19 1.63 -0.65 0.67 116.57 122.49 1jwd h LYS 55 Ca 0.01 0.03 0.09 0.00 -0.85 0.00 0.00 60.65 59.92 1jwd h LYS 55 Cb 0.86 0.09 -0.07 0.00 -0.60 0.00 0.00 32.23 32.50 1jwd h LYS 55 CO 0.07 -0.26 0.34 1.25 -3.45 0.00 0.00 179.45 177.40 1jwd h LEU 56 N -0.40 0.45 -0.13 5.20 6.46 -0.48 0.88 115.31 127.30 1jwd h LEU 56 Ca -0.02 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.82 1jwd h LEU 56 Cb 0.34 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1jwd h LEU 56 CO 0.01 0.27 -0.02 -0.03 -0.62 0.00 0.00 178.44 178.05 1jwd h MET 57 N 0.60 0.02 -0.34 1.25 4.05 -0.19 0.92 114.93 121.22 1jwd h MET 57 Ca 0.34 -0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.80 1jwd h MET 57 Cb 0.34 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.09 1jwd h MET 57 CO -0.26 0.01 0.09 0.22 0.23 0.00 0.00 176.91 177.21 1jwd h ASP 58 N 0.02 0.06 -0.41 1.39 3.58 -0.00 0.15 116.42 121.20 1jwd h ASP 58 Ca 0.06 0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.61 1jwd h ASP 58 Cb 0.08 0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.14 1jwd h ASP 58 CO -0.12 0.07 0.14 0.44 -2.88 0.00 0.00 179.24 176.89 1jwd h ASP 59 N 0.22 0.13 0.56 2.28 3.32 -0.25 0.29 116.42 122.97 1jwd h ASP 59 Ca 0.16 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1jwd h ASP 59 Cb 0.16 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1jwd h ASP 59 CO -0.19 0.11 -0.37 -0.07 -1.72 0.00 0.00 179.24 176.99 1jwd h LEU 60 N 0.29 -0.96 -1.89 1.55 3.38 -0.39 -3.21 115.31 114.08 1jwd h LEU 60 Ca 0.19 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1jwd h LEU 60 Cb 0.19 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1jwd h LEU 60 CO -0.21 -0.56 0.00 -2.24 0.09 0.00 0.00 178.44 175.53 1jwd h ASP 61 N -0.88 0.00 -0.75 -0.43 3.04 -0.46 -3.14 116.42 113.80 1jwd h ASP 61 Ca -0.07 0.00 0.12 0.00 -3.24 0.00 0.00 57.03 53.84 1jwd h ASP 61 Cb 0.72 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 38.88 1jwd h ASP 61 CO 0.05 0.00 -0.27 -1.14 -2.04 0.00 0.00 179.24 175.84 1jwd n ARG 62 N -3.05 -0.16 -0.38 4.15 3.00 1.00 -0.84 116.66 120.37 1jwd n ARG 62 Ca -0.00 1.15 0.34 0.00 -0.00 0.00 0.00 57.85 59.34 1jwd n ARG 62 Cb 0.23 -1.72 0.61 0.00 0.00 0.00 0.00 32.46 31.59 1jwd n ARG 62 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.63 174.68 1jwd h ASN 63 N 0.00 0.30 -1.23 6.15 7.08 -1.74 -1.88 115.58 124.25 1jwd h ASN 63 Ca 0.28 0.20 -0.39 0.00 -3.08 0.00 0.00 56.30 53.31 1jwd h ASN 63 Cb 0.46 0.20 -0.31 0.00 -2.08 0.00 0.00 38.32 36.59 1jwd h ASN 63 CO -0.75 -0.31 -0.93 1.17 -2.08 0.00 0.00 177.43 174.53 1jwd n LYS 64 N -5.00 1.00 -0.58 4.14 3.00 -0.11 -5.06 118.16 115.55 1jwd n LYS 64 Ca 0.38 -2.85 0.00 0.00 -0.00 0.00 0.00 58.31 55.84 1jwd n LYS 64 Cb 1.36 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 34.98 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 0.26 0.00 0.00 3.14 5.75 -0.02 -0.73 116.55 124.95 1jwd n ASP 65 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 1jwd n ASP 65 Cb 0.69 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 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 0.10 0.00 -5.08 0.11 6.02 -1.18 -5.01 117.38 112.34 1jwd n GLN 66 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 1jwd n GLN 66 Cb 0.00 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.11 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 -0.77 2.49 -0.32 -1.09 0.41 0.09 -0.40 118.70 119.10 1jwd s GLU 67 Ca 0.00 -0.81 -0.07 0.00 -0.41 0.00 0.00 54.97 53.68 1jwd s GLU 67 Cb 0.00 -2.26 0.02 0.00 -1.78 0.00 0.00 34.13 30.11 1jwd s GLU 67 CO 0.00 0.51 0.11 0.54 -0.49 0.00 0.00 175.26 175.93 1jwd s VAL 68 N -0.46 4.04 0.45 2.63 0.11 0.46 -3.33 120.40 124.30 1jwd s VAL 68 Ca 0.05 -0.84 -0.20 0.00 -2.93 0.00 0.00 61.98 58.07 1jwd s VAL 68 Cb -0.12 -3.17 -0.10 0.00 -1.53 0.00 0.00 36.38 31.46 1jwd s VAL 68 CO 0.01 -0.05 0.97 0.54 -3.33 0.00 0.00 175.10 173.24 1jwd s ASN 69 N 1.48 6.81 0.22 3.54 2.20 -1.26 -0.87 114.94 127.06 1jwd s ASN 69 Ca 0.01 1.69 -0.14 0.00 -0.94 0.00 0.00 52.86 53.48 1jwd s ASN 69 Cb -0.18 -2.54 0.26 0.00 -2.00 0.00 0.00 41.25 36.79 1jwd s ASN 69 CO 0.03 -0.45 1.61 0.15 -2.94 0.00 0.00 177.10 175.50 1jwd h PHE 70 N 1.66 -0.48 -0.86 1.54 3.57 -1.38 0.12 116.94 121.12 1jwd h PHE 70 Ca -0.49 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1jwd h PHE 70 Cb 1.18 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 40.20 1jwd h PHE 70 CO 0.62 -0.32 0.53 0.37 -2.23 0.00 0.00 178.31 177.28 1jwd h GLN 71 N -0.03 1.17 -0.02 1.11 5.75 -1.94 -0.38 115.11 120.77 1jwd h GLN 71 Ca 0.32 -0.10 -0.20 0.00 -0.15 0.00 0.00 58.65 58.53 1jwd h GLN 71 Cb 0.53 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1jwd h GLN 71 CO -0.72 0.81 -0.83 0.93 -2.65 0.00 0.00 178.83 176.36 1jwd h GLU 72 N 1.18 0.31 0.10 1.69 4.39 -1.61 -0.70 114.58 119.94 1jwd h GLU 72 Ca 0.31 -0.30 0.02 0.00 0.34 0.00 0.00 59.36 59.73 1jwd h GLU 72 Cb -0.07 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1jwd h GLU 72 CO -0.06 0.98 -0.24 -0.92 -1.16 0.00 0.00 179.01 177.61 1jwd h TYR 73 N 0.19 -0.63 0.00 4.33 3.20 -0.29 0.17 116.97 123.94 1jwd h TYR 73 Ca -0.05 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.86 1jwd h TYR 73 Cb 1.44 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.94 1jwd h TYR 73 CO 0.04 -0.33 -0.16 0.82 -1.64 0.00 0.00 178.16 176.89 1jwd h ILE 74 N -0.43 0.61 -0.42 1.81 1.08 -0.98 0.47 117.51 119.65 1jwd h ILE 74 Ca 0.03 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.59 1jwd h ILE 74 Cb 0.46 0.61 -0.09 0.00 -3.07 0.00 0.00 36.82 34.73 1jwd h ILE 74 CO -0.14 0.00 -0.19 0.74 -0.69 0.00 0.00 178.15 177.86 1jwd h THR 75 N -0.27 0.42 -0.62 -0.27 2.02 -0.93 0.46 112.91 113.71 1jwd h THR 75 Ca 0.05 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1jwd h THR 75 Cb 0.33 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1jwd h THR 75 CO -0.15 0.00 0.32 0.15 0.37 0.00 0.00 175.52 176.21 1jwd h PHE 76 N -0.11 0.87 -0.76 3.16 3.57 -0.24 0.80 116.94 124.24 1jwd h PHE 76 Ca 0.20 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.75 1jwd h PHE 76 Cb 0.42 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 1jwd h PHE 76 CO -0.44 0.64 0.50 -0.07 -2.23 0.00 0.00 178.31 176.71 1jwd h LEU 77 N 0.85 0.68 -0.15 0.59 3.38 -0.08 0.28 115.31 120.86 1jwd h LEU 77 Ca 0.22 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1jwd h LEU 77 Cb 0.08 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1jwd h LEU 77 CO -0.03 0.43 -0.05 1.23 0.09 0.00 0.00 178.44 180.11 1jwd h GLY 78 N 0.77 0.09 0.63 0.83 0.00 0.97 0.11 103.07 106.47 1jwd h GLY 78 Ca 0.34 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.80 1jwd h GLY 78 CO -0.12 -0.07 0.35 0.00 0.00 0.00 0.00 176.54 176.70 1jwd h ALA 79 N 1.13 0.88 -0.27 3.60 0.00 0.11 0.18 119.26 124.88 1jwd h ALA 79 Ca 0.08 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1jwd h ALA 79 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1jwd h ALA 79 CO -0.17 0.01 0.13 1.25 0.00 0.00 0.00 179.25 180.47 1jwd h LEU 80 N 0.64 0.18 -0.77 0.00 5.85 -0.17 0.14 115.31 121.19 1jwd h LEU 80 Ca 0.30 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.06 1jwd h LEU 80 Cb 0.22 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1jwd h LEU 80 CO -0.20 0.14 0.50 0.00 -0.34 0.00 0.00 178.44 178.54 1jwd h ALA 81 N 1.14 1.00 -0.35 1.25 0.00 -0.18 0.27 119.26 122.39 1jwd h ALA 81 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jwd h ALA 81 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1jwd h ALA 81 CO -0.08 0.33 0.21 1.98 0.00 0.00 0.00 179.25 181.68 1jwd h MET 82 N 0.99 0.48 -0.75 0.00 1.85 -0.01 -2.41 114.93 115.08 1jwd h MET 82 Ca 0.30 -0.05 0.05 0.00 -0.61 0.00 0.00 59.70 59.40 1jwd h MET 82 Cb -0.04 -0.10 -0.06 0.00 0.43 0.00 0.00 31.60 31.84 1jwd h MET 82 CO -0.09 0.37 0.45 0.82 -0.40 0.00 0.00 176.91 178.06 1jwd h ILE 83 N 0.45 1.02 0.00 1.77 2.04 -0.24 -2.06 117.51 120.50 1jwd h ILE 83 Ca 0.13 -0.29 -0.28 0.00 1.00 0.00 0.00 64.86 65.42 1jwd h ILE 83 Cb 0.02 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1jwd h ILE 83 CO -0.02 0.15 1.51 -1.22 0.00 0.00 0.00 178.15 178.57 1jwd n TYR 84 N -4.69 0.82 -0.14 1.37 4.01 0.04 -4.68 117.16 113.88 1jwd n TYR 84 Ca 0.10 -1.56 0.11 0.00 -0.16 0.00 0.00 57.90 56.38 1jwd n TYR 84 Cb 0.16 -1.47 0.44 0.00 -0.31 0.00 0.00 39.34 38.15 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 5.29 0.50 -0.81 7.72 -0.00 -1.45 0.25 115.58 127.07 1jwd h ASN 85 Ca 0.35 0.01 0.19 0.00 -0.00 0.00 0.00 56.30 56.85 1jwd h ASN 85 Cb 0.50 -0.09 -0.12 0.00 -0.00 0.00 0.00 38.32 38.61 1jwd h ASN 85 CO 0.97 0.30 0.26 -0.33 -0.00 0.00 0.00 177.43 178.63 1jwd h GLU 86 N 0.55 0.31 -0.60 6.67 3.07 -1.87 0.03 114.58 122.73 1jwd h GLU 86 Ca 0.32 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.14 1jwd h GLU 86 Cb 0.50 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 1jwd h GLU 86 CO -0.10 0.20 0.30 0.00 -1.40 0.00 0.00 179.01 178.01 1jwd h ALA 87 N 1.66 1.40 0.06 3.43 0.00 -0.81 0.18 119.26 125.19 1jwd h ALA 87 Ca 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1jwd h ALA 87 Cb 0.87 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1jwd h ALA 87 CO -0.53 0.48 -0.05 -0.07 0.00 0.00 0.00 179.25 179.08 1jwd h LEU 88 N 0.85 -0.12 -0.78 0.00 3.38 -1.00 -2.88 115.31 114.76 1jwd h LEU 88 Ca 0.21 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 1jwd h LEU 88 Cb 0.07 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1jwd h LEU 88 CO -0.03 -0.08 -0.41 0.11 0.09 0.00 0.00 178.44 178.13 1jwd h LYS 89 N -0.11 0.43 0.00 1.13 1.79 -1.08 -3.52 116.57 115.21 1jwd h LYS 89 Ca -0.00 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1jwd h LYS 89 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1jwd h LYS 89 CO -0.00 0.77 0.00 0.41 -1.08 0.00 0.00 179.45 179.55