#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtt n ALA 2 N 0.00 1.57 -0.34 -5.12 0.00 -1.26 -5.01 120.51 110.34 2jtt n ALA 2 Ca 0.00 -0.89 0.10 0.00 0.00 0.00 0.00 53.44 52.65 2jtt n ALA 2 Cb 0.00 -0.23 0.21 0.00 0.00 0.00 0.00 19.45 19.43 2jtt n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jtt n SER 3 N -0.14 -0.24 0.05 0.00 7.64 -1.26 -0.82 113.62 118.86 2jtt n SER 3 Ca 0.01 1.66 -0.03 0.00 1.01 0.00 0.00 58.87 61.53 2jtt n SER 3 Cb 0.57 -0.55 0.21 0.00 -1.01 0.00 0.00 64.21 63.43 2jtt n SER 3 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2jtt h PRO 4 N 0.00 0.38 0.25 1.43 0.13 -2.00 -1.96 132.00 130.23 2jtt h PRO 4 Ca 0.52 -0.16 -0.34 0.00 -0.87 0.00 0.00 66.00 65.16 2jtt h PRO 4 Cb 0.95 -0.02 0.04 0.00 0.13 0.00 0.00 31.00 32.10 2jtt h PRO 4 CO -0.96 0.66 -1.51 1.25 -0.23 0.00 0.00 178.00 177.21 2jtt h LEU 5 N 0.33 0.82 -1.29 1.56 5.85 -1.68 -3.31 115.31 117.59 2jtt h LEU 5 Ca 0.04 -0.91 -0.02 0.00 0.84 0.00 0.00 57.88 57.84 2jtt h LEU 5 Cb 0.73 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2jtt h LEU 5 CO 0.06 1.72 0.27 -0.78 -0.34 0.00 0.00 178.44 179.37 2jtt h ASP 6 N 0.14 0.68 0.95 1.25 3.58 -0.84 -0.10 116.42 122.08 2jtt h ASP 6 Ca -0.27 -0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.05 2jtt h ASP 6 Cb 2.17 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 43.03 2jtt h ASP 6 CO 0.27 0.57 -0.35 0.06 -2.88 0.00 0.00 179.24 176.90 2jtt h GLN 7 N 0.76 0.00 0.12 0.28 3.07 -1.52 -1.54 115.11 116.28 2jtt h GLN 7 Ca 0.19 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.78 2jtt h GLN 7 Cb 0.06 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.64 2jtt h GLN 7 CO -0.03 0.35 -0.69 0.00 0.09 0.00 0.00 178.83 178.56 2jtt h ALA 8 N 1.65 -0.07 -0.21 0.06 0.00 -1.21 -2.13 119.26 117.36 2jtt h ALA 8 Ca -0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 2jtt h ALA 8 Cb 0.92 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2jtt h ALA 8 CO 0.05 0.32 -0.12 -0.84 0.00 0.00 0.00 179.25 178.66 2jtt h ILE 9 N -0.48 1.20 0.00 0.00 3.07 -1.18 -1.96 117.51 118.16 2jtt h ILE 9 Ca -0.12 -0.85 -0.02 0.00 1.55 0.00 0.00 64.86 65.41 2jtt h ILE 9 Cb 1.54 1.17 -0.00 0.00 -0.27 0.00 0.00 36.82 39.25 2jtt h ILE 9 CO 0.12 0.27 -0.11 1.23 -1.05 0.00 0.00 178.15 178.62 2jtt h GLY 10 N 0.81 0.00 0.55 0.16 0.00 -1.34 -2.32 103.07 100.94 2jtt h GLY 10 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 2jtt h GLY 10 CO 0.02 0.00 -0.02 -2.00 0.00 0.00 0.00 176.54 174.54 2jtt h LEU 11 N 0.00 -0.06 -0.99 3.11 7.12 -0.64 -0.53 115.31 123.33 2jtt h LEU 11 Ca -0.00 -0.41 0.01 0.00 0.13 0.00 0.00 57.88 57.61 2jtt h LEU 11 Cb 0.39 0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.49 2jtt h LEU 11 CO 0.01 0.39 0.65 -0.07 -0.13 0.00 0.00 178.44 179.29 2jtt h LEU 12 N -0.52 1.14 -0.32 2.25 4.07 -1.41 0.58 115.31 121.11 2jtt h LEU 12 Ca -0.01 -0.04 -0.11 0.00 0.08 0.00 0.00 57.88 57.81 2jtt h LEU 12 Cb 0.46 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2jtt h LEU 12 CO 0.01 0.83 -0.23 0.40 -1.08 0.00 0.00 178.44 178.37 2jtt h ILE 13 N 1.34 1.29 -0.32 1.22 2.04 -1.45 -1.26 117.51 120.37 2jtt h ILE 13 Ca 0.36 -1.38 -0.09 0.00 1.00 0.00 0.00 64.86 64.75 2jtt h ILE 13 Cb -0.14 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2jtt h ILE 13 CO -0.08 0.45 -0.19 1.23 0.00 0.00 0.00 178.15 179.56 2jtt h GLY 14 N 0.48 0.65 0.61 5.37 0.00 -0.69 0.25 103.07 109.74 2jtt h GLY 14 Ca 0.06 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2jtt h GLY 14 CO 0.06 0.46 -0.12 -2.22 0.00 0.00 0.00 176.54 174.73 2jtt h ILE 15 N 0.54 0.79 0.05 2.60 2.04 -0.92 -3.33 117.51 119.27 2jtt h ILE 15 Ca 0.09 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 2jtt h ILE 15 Cb 0.62 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2jtt h ILE 15 CO 0.04 0.14 -0.02 0.15 0.00 0.00 0.00 178.15 178.46 2jtt h PHE 16 N -0.73 -0.06 0.00 1.37 3.04 -1.03 -3.31 116.94 116.23 2jtt h PHE 16 Ca -0.03 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 2jtt h PHE 16 Cb 0.49 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.02 2jtt h PHE 16 CO 0.04 0.28 -0.06 1.25 -2.02 0.00 0.00 178.31 177.80 2jtt h HIS 17 N -0.40 0.00 -0.74 0.41 2.76 -1.13 -2.20 115.15 113.85 2jtt h HIS 17 Ca -0.01 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 2jtt h HIS 17 Cb 0.37 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 2jtt h HIS 17 CO 0.04 0.06 0.48 -0.22 -1.30 0.00 0.00 177.93 176.99 2jtt h LYS 18 N 0.00 0.92 0.01 5.26 3.64 -1.67 -0.48 116.57 124.25 2jtt h LYS 18 Ca -0.00 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.09 2jtt h LYS 18 Cb 0.57 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2jtt h LYS 18 CO 0.01 0.61 -1.19 1.88 -2.27 0.00 0.00 179.45 178.48 2jtt h TYR 19 N 0.95 0.04 -0.02 1.91 -1.99 -1.55 -3.17 116.97 113.14 2jtt h TYR 19 Ca 0.29 -0.03 -0.19 0.00 2.00 0.00 0.00 58.73 60.80 2jtt h TYR 19 Cb -0.04 -0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.71 2jtt h TYR 19 CO -0.03 1.03 -0.73 0.66 -0.00 0.00 0.00 178.16 179.09 2jtt h SER 20 N 0.01 0.67 0.15 3.88 4.64 -1.49 -3.29 113.55 118.12 2jtt h SER 20 Ca -0.09 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.50 2jtt h SER 20 Cb 1.84 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 2jtt h SER 20 CO 0.12 1.32 0.00 1.23 -0.87 0.00 0.00 176.83 178.63 2jtt h GLY 21 N 0.09 0.00 1.69 -0.77 0.00 -1.15 0.15 103.07 103.08 2jtt h GLY 21 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 2jtt h GLY 21 CO 0.14 0.00 0.06 1.70 0.00 0.00 0.00 176.54 178.44 2jtt h LYS 22 N 0.00 0.40 0.00 4.80 3.64 -1.62 -3.34 116.57 120.45 2jtt h LYS 22 Ca 0.00 -0.06 -0.26 0.00 -1.27 0.00 0.00 60.65 59.06 2jtt h LYS 22 Cb 0.08 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 2jtt h LYS 22 CO 0.00 0.38 -1.99 0.39 -2.27 0.00 0.00 179.45 175.97 2jtt n GLU 23 N -4.37 1.13 0.00 1.90 -0.58 -0.07 -5.11 120.64 113.53 2jtt n GLU 23 Ca 0.01 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2jtt n GLU 23 Cb 0.17 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 2jtt n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jtt n GLY 24 N 2.37 -0.99 0.15 0.62 0.00 -0.56 -5.03 105.19 101.76 2jtt n GLY 24 Ca -0.27 -1.01 0.13 0.00 0.00 0.00 0.00 46.02 44.87 2jtt n GLY 24 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2jtt h ASP 25 N 0.00 0.00 -3.75 1.61 2.03 -1.88 -3.28 116.42 111.14 2jtt h ASP 25 Ca 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 2jtt h ASP 25 Cb 0.00 0.00 0.06 0.00 -0.83 0.00 0.00 39.33 38.56 2jtt h ASP 25 CO 0.00 0.00 0.67 -0.54 -1.03 0.00 0.00 179.24 178.34 2jtt s LYS 26 N -3.24 4.33 -0.01 4.15 1.02 -1.26 -4.92 119.74 119.81 2jtt s LYS 26 Ca 0.07 2.23 -0.05 0.00 0.02 0.00 0.00 55.97 58.24 2jtt s LYS 26 Cb 0.10 -3.08 -0.22 0.00 -0.52 0.00 0.00 37.83 34.10 2jtt s LYS 26 CO 0.55 -0.25 3.37 1.58 -0.92 0.00 0.00 175.35 179.69 2jtt n HIS 27 N 1.22 0.04 -4.00 3.18 -0.00 -1.26 -4.76 115.22 109.63 2jtt n HIS 27 Ca 0.02 -1.44 -0.10 0.00 0.46 0.00 0.00 57.72 56.66 2jtt n HIS 27 Cb 0.41 -1.43 -0.11 0.00 -0.12 0.00 0.00 29.99 28.74 2jtt n HIS 27 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 2jtt s THR 28 N 0.78 0.20 0.00 3.57 -4.23 -1.26 -2.60 115.64 112.09 2jtt s THR 28 Ca 0.57 -0.97 0.04 0.00 -1.18 0.00 0.00 61.69 60.14 2jtt s THR 28 Cb 0.27 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.71 2jtt s THR 28 CO -0.00 -0.49 -0.10 -0.76 -0.54 0.00 0.00 174.62 172.73 2jtt s LEU 29 N -1.53 3.02 0.36 4.79 1.43 -0.09 -4.61 118.68 122.03 2jtt s LEU 29 Ca -0.14 -0.20 -0.24 0.00 -1.03 0.00 0.00 54.13 52.53 2jtt s LEU 29 Cb -0.09 -1.73 -0.10 0.00 0.03 0.00 0.00 46.19 44.30 2jtt s LEU 29 CO -0.01 0.29 0.93 -0.55 0.23 0.00 0.00 176.35 177.24 2jtt s SER 30 N -1.31 7.16 0.60 2.29 0.15 -1.26 -0.26 113.70 121.06 2jtt s SER 30 Ca 0.16 1.75 0.35 0.00 0.70 0.00 0.00 55.95 58.90 2jtt s SER 30 Cb -0.11 -2.55 1.90 0.00 -1.71 0.00 0.00 66.02 63.55 2jtt s SER 30 CO 0.06 -0.18 2.23 0.07 1.20 0.00 0.00 173.24 176.62 2jtt h LYS 31 N 2.68 0.00 0.00 5.44 2.10 -1.68 0.13 116.57 125.23 2jtt h LYS 31 Ca -0.48 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.02 2jtt h LYS 31 Cb 1.19 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.49 2jtt h LYS 31 CO 0.63 0.03 -0.73 1.57 -2.00 0.00 0.00 179.45 178.95 2jtt h LYS 32 N 0.00 0.00 0.01 0.07 2.10 -1.93 -3.04 116.57 113.78 2jtt h LYS 32 Ca -0.00 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.45 2jtt h LYS 32 Cb 0.13 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.44 2jtt h LYS 32 CO 0.00 0.73 -0.94 1.49 -2.00 0.00 0.00 179.45 178.74 2jtt h GLU 33 N 0.00 0.03 -0.32 0.07 4.57 -1.18 -2.88 114.58 114.87 2jtt h GLU 33 Ca -0.01 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2jtt h GLU 33 Cb 1.34 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.92 2jtt h GLU 33 CO 0.10 0.94 0.18 1.25 -1.18 0.00 0.00 179.01 180.29 2jtt h LEU 34 N 0.01 0.28 -1.09 1.64 7.12 -1.25 -1.39 115.31 120.63 2jtt h LEU 34 Ca -0.02 0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.06 2jtt h LEU 34 Cb 1.65 -0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 41.66 2jtt h LEU 34 CO 0.13 0.20 0.61 0.11 -0.13 0.00 0.00 178.44 179.36 2jtt h LYS 35 N 0.36 1.06 -0.30 1.25 1.57 -1.50 -1.78 116.57 117.23 2jtt h LYS 35 Ca 0.13 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2jtt h LYS 35 Cb 0.02 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 2jtt h LYS 35 CO -0.07 0.70 0.18 1.49 -0.57 0.00 0.00 179.45 181.18 2jtt h GLU 36 N 1.09 0.40 -0.08 3.15 4.57 -1.17 -0.25 114.58 122.28 2jtt h GLU 36 Ca 0.41 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.59 2jtt h GLU 36 Cb 0.19 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 2jtt h GLU 36 CO -0.16 0.30 -0.17 1.25 -1.18 0.00 0.00 179.01 179.05 2jtt h LEU 37 N 0.38 -0.51 -0.51 1.64 6.46 -0.90 -1.47 115.31 120.39 2jtt h LEU 37 Ca 0.11 0.09 -0.13 0.00 -0.12 0.00 0.00 57.88 57.83 2jtt h LEU 37 Cb -0.00 0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 2jtt h LEU 37 CO -0.02 -0.22 -0.17 0.40 -0.62 0.00 0.00 178.44 177.81 2jtt h ILE 38 N -0.24 1.27 0.00 4.05 2.04 -1.04 0.11 117.51 123.70 2jtt h ILE 38 Ca 0.08 -1.34 -0.12 0.00 1.00 0.00 0.00 64.86 64.49 2jtt h ILE 38 Cb 0.35 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2jtt h ILE 38 CO -0.22 0.47 -0.56 1.56 0.00 0.00 0.00 178.15 179.40 2jtt h GLN 39 N 0.89 0.00 0.10 2.37 4.20 -1.02 -0.80 115.11 120.86 2jtt h GLN 39 Ca 0.12 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.59 2jtt h GLN 39 Cb 0.75 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 2jtt h GLN 39 CO 0.06 0.56 -1.27 0.87 -0.67 0.00 0.00 178.83 178.38 2jtt h LYS 40 N 0.00 0.21 0.00 1.46 1.79 -1.09 -3.39 116.57 115.56 2jtt h LYS 40 Ca -0.01 -0.36 -0.09 0.00 -2.18 0.00 0.00 60.65 58.02 2jtt h LYS 40 Cb 1.16 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 2jtt h LYS 40 CO 0.07 1.17 -0.59 0.93 -1.08 0.00 0.00 179.45 179.95 2jtt h GLU 41 N -0.41 0.00 -2.08 3.15 4.39 -0.89 -3.41 114.58 115.33 2jtt h GLU 41 Ca -0.28 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 58.68 2jtt h GLU 41 Cb 1.67 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 30.06 2jtt h GLU 41 CO 0.04 0.62 1.03 1.28 -1.16 0.00 0.00 179.01 180.82 2jtt n LEU 42 N -4.57 7.39 -4.69 1.33 4.77 -0.31 -5.00 117.00 115.92 2jtt n LEU 42 Ca -0.16 -4.85 -0.44 0.00 -0.03 0.00 0.00 56.01 50.52 2jtt n LEU 42 Cb 0.43 -1.12 -0.04 0.00 -2.33 0.00 0.00 43.42 40.36 2jtt n LEU 42 CO 0.18 1.83 1.36 1.07 -1.33 0.00 0.00 177.39 180.49 2jtt n THR 43 N -0.17 0.20 -3.36 -5.08 5.66 -1.23 -4.69 114.28 105.60 2jtt n THR 43 Ca 0.52 -0.04 -0.38 0.00 -3.05 0.00 0.00 64.05 61.10 2jtt n THR 43 Cb 0.28 -1.86 -0.07 0.00 -1.55 0.00 0.00 70.33 67.13 2jtt n THR 43 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2jtt s ILE 44 N 1.97 5.18 -0.11 1.09 -1.09 -1.26 -5.00 121.20 121.97 2jtt s ILE 44 Ca 0.81 0.78 0.17 0.00 -2.23 0.00 0.00 60.65 60.17 2jtt s ILE 44 Cb -0.58 -3.76 -0.19 0.00 -1.58 0.00 0.00 42.46 36.35 2jtt s ILE 44 CO 0.38 0.25 0.64 0.61 -1.23 0.00 0.00 174.94 175.60 2jtt n GLY 45 N 3.84 -1.11 0.16 6.18 0.00 -1.26 -4.49 105.19 108.50 2jtt n GLY 45 Ca -0.08 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.80 2jtt n GLY 45 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jtt h SER 46 N 0.00 0.00 -5.28 1.61 4.64 -2.04 -3.49 113.55 108.99 2jtt h SER 46 Ca -0.24 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.18 2jtt h SER 46 Cb 1.74 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.81 2jtt h SER 46 CO 0.05 0.50 0.49 -1.59 -0.87 0.00 0.00 176.83 175.41 2jtt s LYS 47 N -3.34 1.63 -0.02 4.77 -2.85 -1.26 -5.13 119.74 113.53 2jtt s LYS 47 Ca 0.01 -1.06 -0.34 0.00 -1.00 0.00 0.00 55.97 53.59 2jtt s LYS 47 Cb 0.10 0.45 -0.12 0.00 -2.06 0.00 0.00 37.83 36.20 2jtt s LYS 47 CO 0.72 -0.76 1.83 -0.11 0.10 0.00 0.00 175.35 177.13 2jtt n LEU 48 N -0.66 3.47 -0.09 2.77 -0.00 -1.26 -4.90 117.00 116.33 2jtt n LEU 48 Ca -0.05 0.99 -0.21 0.00 -0.00 0.00 0.00 56.01 56.74 2jtt n LEU 48 Cb 0.59 -1.40 -0.12 0.00 -0.00 0.00 0.00 43.42 42.50 2jtt n LEU 48 CO 0.23 -0.07 -0.40 -0.61 -0.00 0.00 0.00 177.39 176.54 2jtt h GLN 49 N 8.69 0.01 -0.97 1.96 4.15 -2.01 -3.42 115.11 123.53 2jtt h GLN 49 Ca -0.48 -0.02 0.16 0.00 0.77 0.00 0.00 58.65 59.09 2jtt h GLN 49 Cb 1.26 0.01 -0.09 0.00 0.21 0.00 0.00 27.48 28.87 2jtt h GLN 49 CO 0.94 1.01 0.61 0.22 -1.93 0.00 0.00 178.83 179.68 2jtt h ASP 50 N -0.96 0.75 0.34 -0.69 3.58 -1.98 -0.20 116.42 117.26 2jtt h ASP 50 Ca -0.30 0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.18 2jtt h ASP 50 Cb 1.29 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.26 2jtt h ASP 50 CO -0.17 0.33 -0.16 0.00 -2.88 0.00 0.00 179.24 176.36 2jtt h ALA 51 N 1.60 1.38 0.25 -0.78 0.00 -2.01 0.89 119.26 120.59 2jtt h ALA 51 Ca 0.52 -0.15 -0.34 0.00 0.00 0.00 0.00 54.91 54.94 2jtt h ALA 51 Cb 0.79 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.60 2jtt h ALA 51 CO -0.29 0.20 -1.51 0.93 0.00 0.00 0.00 179.25 178.58 2jtt h GLU 52 N 0.00 0.53 -0.05 0.00 4.39 -1.30 -3.35 114.58 114.80 2jtt h GLU 52 Ca -0.00 -0.91 -0.14 0.00 0.34 0.00 0.00 59.36 58.65 2jtt h GLU 52 Cb 0.37 0.34 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2jtt h GLU 52 CO 0.02 1.44 -0.62 0.82 -1.16 0.00 0.00 179.01 179.51 2jtt h ILE 53 N 0.15 1.41 -0.50 3.13 1.08 -0.75 -0.87 117.51 121.15 2jtt h ILE 53 Ca -0.27 -2.04 -0.04 0.00 -0.39 0.00 0.00 64.86 62.12 2jtt h ILE 53 Cb 2.17 2.06 -0.02 0.00 -3.07 0.00 0.00 36.82 37.96 2jtt h ILE 53 CO 0.27 0.60 0.13 -0.37 -0.69 0.00 0.00 178.15 178.08 2jtt h VAL 54 N 0.12 1.21 -0.04 1.67 -1.51 -1.03 0.22 116.25 116.90 2jtt h VAL 54 Ca -0.01 -0.75 -0.25 0.00 -1.23 0.00 0.00 66.70 64.47 2jtt h VAL 54 Cb 1.12 0.69 0.02 0.00 -2.13 0.00 0.00 31.29 30.99 2jtt h VAL 54 CO 0.09 0.28 -0.96 0.50 -1.23 0.00 0.00 177.57 176.25 2jtt h LYS 55 N 0.73 0.68 -0.39 5.19 1.63 -1.63 -2.74 116.57 120.04 2jtt h LYS 55 Ca 0.16 -0.68 -0.09 0.00 -0.85 0.00 0.00 60.65 59.20 2jtt h LYS 55 Cb 0.26 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 2jtt h LYS 55 CO -0.00 1.27 -0.11 1.25 -3.45 0.00 0.00 179.45 178.41 2jtt h LEU 56 N 0.41 0.68 -1.05 5.20 6.46 -0.94 -1.81 115.31 124.25 2jtt h LEU 56 Ca -0.10 -0.19 0.03 0.00 -0.12 0.00 0.00 57.88 57.50 2jtt h LEU 56 Cb 1.60 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 41.30 2jtt h LEU 56 CO 0.19 0.82 0.64 -0.03 -0.62 0.00 0.00 178.44 179.43 2jtt h MET 57 N 0.63 1.21 -0.49 1.25 4.05 -0.62 -1.60 114.93 119.36 2jtt h MET 57 Ca 0.11 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.40 2jtt h MET 57 Cb 0.55 -0.27 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 2jtt h MET 57 CO 0.03 0.80 0.05 0.22 0.23 0.00 0.00 176.91 178.25 2jtt h ASP 58 N 1.25 0.74 0.77 1.39 3.58 -1.08 0.14 116.42 123.21 2jtt h ASP 58 Ca 0.38 -0.15 -0.05 0.00 0.42 0.00 0.00 57.03 57.63 2jtt h ASP 58 Cb -0.03 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 2jtt h ASP 58 CO -0.11 0.77 -0.23 0.44 -2.88 0.00 0.00 179.24 177.23 2jtt h ASP 59 N 0.74 0.00 0.13 2.28 3.32 -0.71 -1.03 116.42 121.15 2jtt h ASP 59 Ca 0.15 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.02 2jtt h ASP 59 Cb 0.37 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.94 2jtt h ASP 59 CO 0.01 0.23 -0.85 -0.07 -1.72 0.00 0.00 179.24 176.84 2jtt h LEU 60 N 0.00 0.42 -0.84 1.55 3.38 -1.06 -3.39 115.31 115.37 2jtt h LEU 60 Ca -0.00 -0.94 -0.07 0.00 0.09 0.00 0.00 57.88 56.96 2jtt h LEU 60 Cb 0.68 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2jtt h LEU 60 CO 0.03 1.40 -0.35 -0.78 0.09 0.00 0.00 178.44 178.83 2jtt h ASP 61 N -0.41 0.00 0.17 -0.43 3.58 -0.64 -3.29 116.42 115.40 2jtt h ASP 61 Ca -0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2jtt h ASP 61 Cb 1.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.67 2jtt h ASP 61 CO 0.13 0.35 0.00 -2.11 -2.88 0.00 0.00 179.24 174.73 2jtt n ARG 62 N -3.45 0.04 0.22 0.28 -4.01 -0.40 -1.04 116.66 108.29 2jtt n ARG 62 Ca 0.00 0.46 0.13 0.00 -1.04 0.00 0.00 57.85 57.40 2jtt n ARG 62 Cb 0.52 -1.60 0.25 0.00 -3.04 0.00 0.00 32.46 28.60 2jtt n ARG 62 CO 0.00 0.00 0.00 -0.97 -3.04 0.00 0.00 177.63 173.62 2jtt h ASN 63 N 0.00 0.00 0.00 2.89 -1.24 -1.84 -3.47 115.58 111.92 2jtt h ASN 63 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2jtt h ASN 63 Cb 0.08 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.13 2jtt h ASN 63 CO 0.00 0.00 0.00 0.29 -1.29 0.00 0.00 177.43 176.43 2jtt n LYS 64 N -3.02 0.00 0.00 6.67 5.02 -0.21 -5.15 118.16 121.48 2jtt n LYS 64 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2jtt n LYS 64 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 2jtt n LYS 64 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jtt n ASP 65 N 0.00 0.00 0.00 4.39 2.03 -1.24 -4.98 116.55 116.74 2jtt n ASP 65 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jtt n ASP 65 Cb 0.00 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 2jtt n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jtt n GLN 66 N -1.78 0.36 -4.17 -0.67 6.02 -1.26 -5.04 117.38 110.83 2jtt n GLN 66 Ca 0.00 -0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.86 2jtt n GLN 66 Cb 0.00 -0.11 -0.10 0.00 1.02 0.00 0.00 30.24 31.05 2jtt n GLN 66 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2jtt s GLU 67 N -0.05 0.83 -0.22 -1.09 1.03 -1.26 -1.80 118.70 116.14 2jtt s GLU 67 Ca 0.00 -1.24 0.00 0.00 0.03 0.00 0.00 54.97 53.76 2jtt s GLU 67 Cb 0.00 -0.35 0.05 0.00 -0.80 0.00 0.00 34.13 33.03 2jtt s GLU 67 CO 0.00 0.03 -0.06 0.08 -1.33 0.00 0.00 175.26 173.98 2jtt s VAL 68 N -3.05 1.47 0.40 1.83 1.01 0.64 -4.64 120.40 118.07 2jtt s VAL 68 Ca 0.09 -1.09 -0.21 0.00 0.00 0.00 0.00 61.98 60.77 2jtt s VAL 68 Cb 0.01 -1.70 -0.11 0.00 0.00 0.00 0.00 36.38 34.59 2jtt s VAL 68 CO -0.02 -0.02 0.93 0.21 0.00 0.00 0.00 175.10 176.19 2jtt s ASN 69 N 1.44 6.98 0.17 3.32 2.47 -1.26 -0.92 114.94 127.14 2jtt s ASN 69 Ca -0.04 1.67 -0.15 0.00 0.42 0.00 0.00 52.86 54.76 2jtt s ASN 69 Cb -0.18 -2.53 0.12 0.00 -1.45 0.00 0.00 41.25 37.21 2jtt s ASN 69 CO -0.07 -0.30 1.72 0.15 -3.72 0.00 0.00 177.10 174.88 2jtt h PHE 70 N 2.13 0.12 -0.58 0.43 3.57 -1.89 -0.40 116.94 120.31 2jtt h PHE 70 Ca -0.49 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 60.96 2jtt h PHE 70 Cb 1.18 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 2jtt h PHE 70 CO 0.62 0.00 0.05 0.37 -2.23 0.00 0.00 178.31 177.12 2jtt h GLN 71 N 0.20 0.98 -0.18 1.11 4.15 -1.95 -1.99 115.11 117.43 2jtt h GLN 71 Ca 0.20 -0.27 -0.13 0.00 0.77 0.00 0.00 58.65 59.22 2jtt h GLN 71 Cb 0.25 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2jtt h GLN 71 CO -0.27 0.93 -0.45 0.93 -1.93 0.00 0.00 178.83 178.05 2jtt h GLU 72 N 0.91 0.45 -0.93 1.69 5.08 -1.83 0.69 114.58 120.64 2jtt h GLU 72 Ca 0.18 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2jtt h GLU 72 Cb 0.47 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2jtt h GLU 72 CO 0.02 0.81 0.55 -0.92 -1.00 0.00 0.00 179.01 178.47 2jtt h TYR 73 N 0.37 1.23 -0.25 4.33 3.20 -0.90 -1.17 116.97 123.77 2jtt h TYR 73 Ca 0.03 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 2jtt h TYR 73 Cb 0.93 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.80 2jtt h TYR 73 CO 0.03 0.82 -0.59 0.82 -1.64 0.00 0.00 178.16 177.60 2jtt h ILE 74 N 1.28 1.28 -0.81 1.81 2.04 -0.76 -0.79 117.51 121.56 2jtt h ILE 74 Ca 0.33 -1.78 0.06 0.00 1.00 0.00 0.00 64.86 64.47 2jtt h ILE 74 Cb -0.04 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 2jtt h ILE 74 CO -0.06 0.58 0.49 0.74 0.00 0.00 0.00 178.15 179.90 2jtt h THR 75 N 0.61 1.02 -0.50 -0.27 2.02 -0.73 -0.68 112.91 114.39 2jtt h THR 75 Ca 0.00 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 2jtt h THR 75 Cb 1.19 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2jtt h THR 75 CO 0.13 0.16 -0.09 0.15 0.37 0.00 0.00 175.52 176.24 2jtt h PHE 76 N 0.90 0.99 0.00 3.16 3.04 -1.12 -1.65 116.94 122.26 2jtt h PHE 76 Ca 0.36 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 62.13 2jtt h PHE 76 Cb 0.18 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.44 2jtt h PHE 76 CO -0.04 0.93 0.00 -0.07 -2.02 0.00 0.00 178.31 177.11 2jtt h LEU 77 N 0.81 0.00 -0.51 0.59 3.38 -0.31 -0.18 115.31 119.08 2jtt h LEU 77 Ca 0.14 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 2jtt h LEU 77 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2jtt h LEU 77 CO 0.04 0.00 -0.48 1.23 0.09 0.00 0.00 178.44 179.32 2jtt h GLY 78 N 0.74 0.73 1.19 0.83 0.00 -0.16 0.12 103.07 106.53 2jtt h GLY 78 Ca 0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 47.33 46.34 2jtt h GLY 78 CO 0.00 0.72 -0.60 0.00 0.00 0.00 0.00 176.54 176.66 2jtt h ALA 79 N 0.94 0.46 0.00 3.60 0.00 -1.12 -1.24 119.26 121.89 2jtt h ALA 79 Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2jtt h ALA 79 Cb 1.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2jtt h ALA 79 CO 0.10 0.68 0.00 1.25 0.00 0.00 0.00 179.25 181.28 2jtt h LEU 80 N 0.63 0.00 0.12 0.00 5.85 -1.00 0.20 115.31 121.11 2jtt h LEU 80 Ca 0.00 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.50 2jtt h LEU 80 Cb 1.21 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.24 2jtt h LEU 80 CO 0.13 0.00 -1.05 0.00 -0.34 0.00 0.00 178.44 177.18 2jtt h ALA 81 N 2.16 0.03 -0.21 1.25 0.00 -0.68 -3.39 119.26 118.42 2jtt h ALA 81 Ca 0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 54.91 53.97 2jtt h ALA 81 Cb 0.41 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2jtt h ALA 81 CO 0.00 0.56 -0.20 1.98 0.00 0.00 0.00 179.25 181.59 2jtt h MET 82 N -0.38 0.37 -0.77 0.00 1.85 -0.80 -3.13 114.93 112.07 2jtt h MET 82 Ca -0.21 -0.12 0.20 0.00 -0.61 0.00 0.00 59.70 58.97 2jtt h MET 82 Cb 1.66 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 33.62 2jtt h MET 82 CO 0.10 0.56 0.54 0.97 -0.40 0.00 0.00 176.91 178.68 2jtt h ILE 83 N 0.34 0.66 0.00 1.77 6.09 -1.15 -1.58 117.51 123.64 2jtt h ILE 83 Ca 0.06 -0.05 -0.01 0.00 -1.37 0.00 0.00 64.86 63.49 2jtt h ILE 83 Cb 0.55 0.51 -0.00 0.00 0.47 0.00 0.00 36.82 38.35 2jtt h ILE 83 CO 0.04 0.03 -0.03 1.88 -3.07 0.00 0.00 178.15 176.99 2jtt h TYR 84 N 0.14 0.00 0.00 2.19 0.05 -1.78 -3.46 116.97 114.12 2jtt h TYR 84 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.16 2jtt h TYR 84 Cb 1.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.02 2jtt h TYR 84 CO -0.00 0.03 0.00 -1.71 -1.05 0.00 0.00 178.16 175.43 2jtt n ASN 85 N -3.59 0.00 -0.07 3.88 2.85 -0.60 -4.14 115.26 113.59 2jtt n ASN 85 Ca -0.03 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.47 2jtt n ASN 85 Cb 0.13 0.00 0.34 0.00 1.24 0.00 0.00 39.78 41.49 2jtt n ASN 85 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2jtt h GLU 86 N 0.00 0.69 0.00 1.20 4.57 -1.89 -2.30 114.58 116.85 2jtt h GLU 86 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2jtt h GLU 86 Cb 0.00 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 2jtt h GLU 86 CO 0.00 0.49 0.00 0.00 -1.18 0.00 0.00 179.01 178.32 2jtt h ALA 87 N 1.63 1.00 -0.37 2.92 0.00 -1.94 -2.42 119.26 120.08 2jtt h ALA 87 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jtt h ALA 87 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2jtt h ALA 87 CO -0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.50 2jtt n LEU 88 N -2.76 4.07 -0.08 0.00 4.77 -0.87 -4.44 117.00 117.69 2jtt n LEU 88 Ca -0.01 -2.73 -0.09 0.00 -0.03 0.00 0.00 56.01 53.15 2jtt n LEU 88 Cb 0.14 -0.51 -0.15 0.00 -2.33 0.00 0.00 43.42 40.57 2jtt n LEU 88 CO 0.19 0.70 -0.98 0.29 -1.33 0.00 0.00 177.39 176.27 2jtt n LYS 89 N 0.06 0.67 -0.72 3.23 5.02 -0.91 -5.10 118.16 120.42 2jtt n LYS 89 Ca 0.21 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2jtt n LYS 89 Cb 0.84 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 2jtt n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29