#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 0.00 0.22 3.17 0.00 -1.26 -4.70 120.51 117.95 2jtt n ALA 2 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2jtt n ALA 2 Cb 0.00 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.10 2jtt n ALA 2 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jtt h SER 3 N 0.00 0.00 -0.26 0.00 4.64 -2.06 -0.83 113.55 115.04 2jtt h SER 3 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2jtt h SER 3 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2jtt h SER 3 CO 0.00 0.00 -0.16 -0.65 -0.87 0.00 0.00 176.83 175.15 2jtt h PRO 4 N 0.00 0.70 0.14 4.77 0.11 -2.01 -2.91 132.00 132.80 2jtt h PRO 4 Ca 0.04 -0.24 -0.30 0.00 0.11 0.00 0.00 66.00 65.60 2jtt h PRO 4 Cb 0.15 -0.05 0.03 0.00 0.11 0.00 0.00 31.00 31.24 2jtt h PRO 4 CO -0.00 0.82 -1.28 1.25 -0.21 0.00 0.00 178.00 178.58 2jtt h LEU 5 N 0.63 0.88 -0.78 2.35 5.85 -1.77 -3.28 115.31 119.18 2jtt h LEU 5 Ca 0.10 -0.84 0.09 0.00 0.84 0.00 0.00 57.88 58.07 2jtt h LEU 5 Cb 0.62 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 2jtt h LEU 5 CO 0.04 1.63 0.43 -0.78 -0.34 0.00 0.00 178.44 179.42 2jtt h ASP 6 N 0.25 0.60 1.21 1.25 1.82 -1.18 0.16 116.42 120.53 2jtt h ASP 6 Ca -0.20 0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.46 2jtt h ASP 6 Cb 1.95 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.90 2jtt h ASP 6 CO 0.24 0.35 -0.14 0.06 -1.61 0.00 0.00 179.24 178.14 2jtt h GLN 7 N 0.73 0.00 0.06 0.28 3.07 -1.65 -0.95 115.11 116.65 2jtt h GLN 7 Ca 0.38 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 59.04 2jtt h GLN 7 Cb 0.36 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.93 2jtt h GLN 7 CO -0.25 0.14 -0.35 0.00 0.09 0.00 0.00 178.83 178.46 2jtt h ALA 8 N 1.86 -0.04 -0.28 0.06 0.00 -1.23 -2.60 119.26 117.03 2jtt h ALA 8 Ca -0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 2jtt h ALA 8 Cb 0.78 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2jtt h ALA 8 CO 0.02 0.17 -0.01 -0.84 0.00 0.00 0.00 179.25 178.58 2jtt h ILE 9 N -0.73 1.18 0.00 0.00 3.07 -1.07 -1.75 117.51 118.21 2jtt h ILE 9 Ca -0.06 -0.71 -0.03 0.00 1.55 0.00 0.00 64.86 65.61 2jtt h ILE 9 Cb 1.27 0.98 -0.00 0.00 -0.27 0.00 0.00 36.82 38.80 2jtt h ILE 9 CO 0.06 0.24 -0.13 1.23 -1.05 0.00 0.00 178.15 178.51 2jtt h GLY 10 N 0.76 0.00 0.59 0.16 0.00 -1.26 -2.50 103.07 100.82 2jtt h GLY 10 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2jtt h GLY 10 CO 0.01 0.00 -0.01 -2.00 0.00 0.00 0.00 176.54 174.54 2jtt h LEU 11 N 0.00 0.04 -1.02 3.11 7.12 -0.90 -0.86 115.31 122.80 2jtt h LEU 11 Ca -0.00 -0.43 0.03 0.00 0.13 0.00 0.00 57.88 57.61 2jtt h LEU 11 Cb 0.41 -0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.47 2jtt h LEU 11 CO 0.02 0.46 0.66 -0.07 -0.13 0.00 0.00 178.44 179.38 2jtt h LEU 12 N -0.38 1.12 -0.13 2.25 4.07 -1.39 0.46 115.31 121.31 2jtt h LEU 12 Ca 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 2jtt h LEU 12 Cb 0.45 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 2jtt h LEU 12 CO 0.00 0.78 0.06 0.40 -1.08 0.00 0.00 178.44 178.60 2jtt h ILE 13 N 1.31 1.14 0.00 1.22 2.04 -1.45 -1.10 117.51 120.66 2jtt h ILE 13 Ca 0.39 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 2jtt h ILE 13 Cb -0.06 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2jtt h ILE 13 CO -0.11 0.13 -0.17 1.23 0.00 0.00 0.00 178.15 179.23 2jtt h GLY 14 N 0.07 0.00 0.32 5.37 0.00 -0.44 0.80 103.07 109.20 2jtt h GLY 14 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 2jtt h GLY 14 CO -0.00 0.00 -0.41 -2.22 0.00 0.00 0.00 176.54 173.91 2jtt h ILE 15 N 0.00 1.65 0.21 2.60 2.04 -0.92 -3.37 117.51 119.72 2jtt h ILE 15 Ca -0.00 -2.44 -0.01 0.00 1.00 0.00 0.00 64.86 63.41 2jtt h ILE 15 Cb 0.47 3.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 2jtt h ILE 15 CO 0.02 0.66 -0.10 0.15 0.00 0.00 0.00 178.15 178.88 2jtt h PHE 16 N -0.71 -0.26 0.00 1.37 3.04 -0.85 -3.36 116.94 116.17 2jtt h PHE 16 Ca -0.07 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.83 2jtt h PHE 16 Cb 1.31 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.90 2jtt h PHE 16 CO 0.24 0.10 -0.19 1.25 -2.02 0.00 0.00 178.31 177.69 2jtt h HIS 17 N -0.93 0.00 -0.77 0.41 2.76 -1.08 -2.30 115.15 113.24 2jtt h HIS 17 Ca -0.03 0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.30 2jtt h HIS 17 Cb 0.48 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 29.34 2jtt h HIS 17 CO 0.06 0.19 0.27 -0.22 -1.30 0.00 0.00 177.93 176.94 2jtt h LYS 18 N 0.00 0.37 0.02 5.26 3.64 -1.73 -0.28 116.57 123.85 2jtt h LYS 18 Ca -0.00 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.13 2jtt h LYS 18 Cb 0.64 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2jtt h LYS 18 CO 0.02 0.24 -1.10 1.88 -2.27 0.00 0.00 179.45 178.23 2jtt h TYR 19 N 0.38 0.08 -0.14 1.91 -1.99 -1.60 -3.00 116.97 112.61 2jtt h TYR 19 Ca 0.43 -0.06 -0.05 0.00 2.00 0.00 0.00 58.73 61.06 2jtt h TYR 19 Cb 0.72 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.43 2jtt h TYR 19 CO -0.20 1.05 -0.15 0.77 -0.00 0.00 0.00 178.16 179.64 2jtt h SER 20 N 0.01 0.21 0.68 3.88 0.02 -1.24 -2.78 113.55 114.33 2jtt h SER 20 Ca -0.05 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2jtt h SER 20 Cb 1.82 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.31 2jtt h SER 20 CO 0.14 0.38 -0.25 0.61 -1.14 0.00 0.00 176.83 176.57 2jtt n GLY 21 N -0.85 -1.30 0.24 -3.77 0.00 -0.16 -4.26 105.19 95.09 2jtt n GLY 21 Ca -0.01 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 2jtt n GLY 21 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jtt h LYS 22 N 0.09 0.79 -2.77 1.61 3.64 -1.34 -3.46 116.57 115.13 2jtt h LYS 22 Ca 0.00 -0.51 -0.06 0.00 -1.27 0.00 0.00 60.65 58.81 2jtt h LYS 22 Cb 0.48 0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 32.21 2jtt h LYS 22 CO 0.00 1.14 0.04 -1.83 -2.27 0.00 0.00 179.45 176.53 2jtt s GLU 23 N -4.06 1.03 2.90 1.90 -1.05 -1.26 -5.13 118.70 113.04 2jtt s GLU 23 Ca -0.10 -0.23 0.00 0.00 -0.15 0.00 0.00 54.97 54.49 2jtt s GLU 23 Cb 0.10 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.27 2jtt s GLU 23 CO 0.88 -0.37 0.00 0.41 0.95 0.00 0.00 175.26 177.13 2jtt n GLY 24 N 0.41 -0.50 3.13 -3.83 0.00 -1.26 -4.84 105.19 98.30 2jtt n GLY 24 Ca -0.18 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 2jtt n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jtt s ASP 25 N -4.00 0.24 0.14 1.61 1.01 -1.26 -4.95 116.67 109.46 2jtt s ASP 25 Ca 0.00 -0.68 0.00 0.00 0.71 0.00 0.00 52.55 52.58 2jtt s ASP 25 Cb 0.00 0.25 0.00 0.00 1.01 0.00 0.00 42.92 44.18 2jtt s ASP 25 CO 0.00 -0.59 0.00 0.29 0.21 0.00 0.00 175.17 175.08 2jtt n LYS 26 N 0.39 -0.80 -1.19 8.23 5.02 -1.26 -4.63 118.16 123.93 2jtt n LYS 26 Ca -0.17 0.64 -0.35 0.00 -2.02 0.00 0.00 58.31 56.41 2jtt n LYS 26 Cb 0.60 -0.94 -0.02 0.00 -0.02 0.00 0.00 35.03 34.65 2jtt n LYS 26 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2jtt n HIS 27 N -2.69 2.21 -4.22 2.13 1.44 -1.26 -4.81 115.22 108.02 2jtt n HIS 27 Ca -0.02 -2.73 -0.14 0.00 -2.01 0.00 0.00 57.72 52.81 2jtt n HIS 27 Cb 0.17 -2.25 -0.10 0.00 0.12 0.00 0.00 29.99 27.92 2jtt n HIS 27 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 2jtt s THR 28 N 2.70 1.10 -0.05 0.61 -1.32 -1.26 -1.79 115.64 115.62 2jtt s THR 28 Ca 0.59 -1.89 0.04 0.00 -1.21 0.00 0.00 61.69 59.22 2jtt s THR 28 Cb 0.15 -1.65 0.00 0.00 -1.51 0.00 0.00 72.50 69.49 2jtt s THR 28 CO -0.05 -0.66 -0.16 -0.76 -2.21 0.00 0.00 174.62 170.79 2jtt s LEU 29 N -2.86 1.84 0.93 9.08 1.43 -0.32 -4.35 118.68 124.44 2jtt s LEU 29 Ca 0.12 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.73 2jtt s LEU 29 Cb 0.00 -0.94 0.17 0.00 0.03 0.00 0.00 46.19 45.45 2jtt s LEU 29 CO 0.00 0.11 1.26 -0.94 0.23 0.00 0.00 176.35 177.02 2jtt s SER 30 N 0.25 3.44 0.48 2.29 1.04 -1.26 -0.24 113.70 119.70 2jtt s SER 30 Ca -0.08 0.48 0.19 0.00 0.48 0.00 0.00 55.95 57.02 2jtt s SER 30 Cb -0.13 -0.69 1.21 0.00 0.10 0.00 0.00 66.02 66.51 2jtt s SER 30 CO 0.03 -2.55 2.01 0.07 0.98 0.00 0.00 173.24 173.78 2jtt h LYS 31 N -1.51 0.18 0.09 4.02 -0.00 -1.56 0.84 116.57 118.63 2jtt h LYS 31 Ca -0.45 -0.01 -0.13 0.00 -0.00 0.00 0.00 60.65 60.05 2jtt h LYS 31 Cb 1.27 -0.04 0.01 0.00 -0.00 0.00 0.00 32.23 33.47 2jtt h LYS 31 CO 0.48 0.12 -0.60 -0.22 -0.00 0.00 0.00 179.45 179.22 2jtt h LYS 32 N 0.19 0.19 -0.03 0.07 3.64 -1.93 -3.33 116.57 115.37 2jtt h LYS 32 Ca 0.23 -0.33 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 2jtt h LYS 32 Cb 0.67 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2jtt h LYS 32 CO -0.04 1.16 -0.27 1.49 -2.27 0.00 0.00 179.45 179.52 2jtt h GLU 33 N -0.58 0.04 0.02 1.90 4.57 -1.72 -0.02 114.58 118.80 2jtt h GLU 33 Ca -0.11 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2jtt h GLU 33 Cb 1.44 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.03 2jtt h GLU 33 CO 0.09 0.32 -0.01 1.25 -1.18 0.00 0.00 179.01 179.48 2jtt h LEU 34 N 0.04 -0.02 -1.67 1.64 7.12 -1.04 -1.64 115.31 119.74 2jtt h LEU 34 Ca 0.00 -0.18 -0.03 0.00 0.13 0.00 0.00 57.88 57.80 2jtt h LEU 34 Cb 0.50 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.63 2jtt h LEU 34 CO 0.04 0.17 -0.16 0.11 -0.13 0.00 0.00 178.44 178.47 2jtt h LYS 35 N -0.21 0.01 -0.06 1.25 1.57 -1.52 -0.90 116.57 116.70 2jtt h LYS 35 Ca -0.00 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2jtt h LYS 35 Cb 0.20 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2jtt h LYS 35 CO 0.00 0.17 0.03 1.49 -0.57 0.00 0.00 179.45 180.57 2jtt h GLU 36 N 0.01 0.09 0.00 3.15 4.57 -0.80 0.01 114.58 121.62 2jtt h GLU 36 Ca 0.00 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 2jtt h GLU 36 Cb 0.29 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 2jtt h GLU 36 CO 0.02 0.19 -0.19 1.25 -1.18 0.00 0.00 179.01 179.10 2jtt h LEU 37 N -0.04 -0.57 -0.09 1.64 6.46 -0.89 -2.24 115.31 119.59 2jtt h LEU 37 Ca 0.02 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2jtt h LEU 37 Cb 0.13 0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 2jtt h LEU 37 CO -0.00 -0.26 0.06 0.40 -0.62 0.00 0.00 178.44 178.02 2jtt h ILE 38 N -0.31 1.05 0.00 4.05 2.04 -1.00 0.95 117.51 124.30 2jtt h ILE 38 Ca 0.06 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 2jtt h ILE 38 Cb 0.39 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2jtt h ILE 38 CO -0.18 0.05 -0.39 1.56 0.00 0.00 0.00 178.15 179.19 2jtt h GLN 39 N 0.10 0.00 0.15 2.37 1.08 -0.98 -0.69 115.11 117.13 2jtt h GLN 39 Ca 0.03 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.89 2jtt h GLN 39 Cb 0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2jtt h GLN 39 CO -0.01 0.39 -1.80 0.87 -0.95 0.00 0.00 178.83 177.33 2jtt h LYS 40 N 0.00 0.31 0.00 1.46 6.56 -1.23 -3.42 116.57 120.25 2jtt h LYS 40 Ca -0.00 -0.53 -0.15 0.00 -1.06 0.00 0.00 60.65 58.91 2jtt h LYS 40 Cb 0.81 0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 32.65 2jtt h LYS 40 CO 0.05 1.21 -0.86 0.93 -2.06 0.00 0.00 179.45 178.72 2jtt h GLU 41 N 0.09 0.00 -3.54 3.15 4.39 -0.83 -3.41 114.58 114.43 2jtt h GLU 41 Ca -0.35 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 58.60 2jtt h GLU 41 Cb 2.06 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 30.60 2jtt h GLU 41 CO 0.14 0.81 2.40 1.28 -1.16 0.00 0.00 179.01 182.48 2jtt n LEU 42 N -4.51 6.89 -4.00 1.33 7.99 -0.27 -4.90 117.00 119.54 2jtt n LEU 42 Ca -0.23 -4.53 -0.41 0.00 -0.01 0.00 0.00 56.01 50.83 2jtt n LEU 42 Cb 0.55 -1.52 -0.02 0.00 -0.11 0.00 0.00 43.42 42.32 2jtt n LEU 42 CO 0.20 1.39 2.22 0.35 -1.51 0.00 0.00 177.39 180.04 2jtt n THR 43 N 3.65 2.91 1.16 -5.08 -2.24 -1.26 -4.73 114.28 108.69 2jtt n THR 43 Ca 0.46 -2.72 0.04 0.00 -2.27 0.00 0.00 64.05 59.56 2jtt n THR 43 Cb 0.36 -2.42 0.26 0.00 -2.10 0.00 0.00 70.33 66.43 2jtt n THR 43 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2jtt n ILE 44 N 5.98 0.00 0.00 2.28 -5.35 -1.26 -4.96 119.36 116.05 2jtt n ILE 44 Ca 0.50 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.98 2jtt n ILE 44 Cb 0.42 -0.45 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 2jtt n ILE 44 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jtt n GLY 45 N 0.12 2.44 3.56 3.28 0.00 -1.26 -4.95 105.19 108.38 2jtt n GLY 45 Ca 0.07 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 2jtt n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jtt s SER 46 N 0.00 6.29 -0.20 1.61 0.15 -1.26 -4.96 113.70 115.33 2jtt s SER 46 Ca 0.00 -0.18 -0.27 0.00 0.70 0.00 0.00 55.95 56.20 2jtt s SER 46 Cb 0.00 -2.56 0.07 0.00 -1.71 0.00 0.00 66.02 61.83 2jtt s SER 46 CO 0.00 -1.67 0.73 -1.59 1.20 0.00 0.00 173.24 171.91 2jtt s LYS 47 N 5.38 0.88 -0.47 5.44 -2.85 -1.26 -5.14 119.74 121.72 2jtt s LYS 47 Ca 0.39 0.73 -0.29 0.00 -1.00 0.00 0.00 55.97 55.80 2jtt s LYS 47 Cb -0.08 0.42 0.03 0.00 -2.06 0.00 0.00 37.83 36.14 2jtt s LYS 47 CO 0.20 -0.17 1.18 -1.17 0.10 0.00 0.00 175.35 175.49 2jtt s LEU 48 N -0.13 3.62 0.00 2.77 2.96 -1.26 -4.75 118.68 121.89 2jtt s LEU 48 Ca -0.03 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 2jtt s LEU 48 Cb -0.03 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.13 2jtt s LEU 48 CO 0.03 -1.28 0.70 0.00 -1.32 0.00 0.00 176.35 174.48 2jtt n GLN 49 N 7.89 0.00 0.25 1.98 10.64 -1.26 -4.97 117.38 131.91 2jtt n GLN 49 Ca 0.13 -0.43 0.14 0.00 -1.83 0.00 0.00 57.00 55.01 2jtt n GLN 49 Cb 0.49 -0.02 0.83 0.00 -0.86 0.00 0.00 30.24 30.67 2jtt n GLN 49 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 2jtt h ASP 50 N 0.05 0.00 0.04 2.61 3.32 -1.99 0.41 116.42 120.85 2jtt h ASP 50 Ca -0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2jtt h ASP 50 Cb 1.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 2jtt h ASP 50 CO -0.04 0.00 -0.03 0.00 -1.72 0.00 0.00 179.24 177.46 2jtt h ALA 51 N 1.92 1.75 0.22 3.45 0.00 -1.99 0.21 119.26 124.82 2jtt h ALA 51 Ca 0.03 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 2jtt h ALA 51 Cb 0.18 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.00 2jtt h ALA 51 CO -0.00 0.03 -1.34 0.93 0.00 0.00 0.00 179.25 178.88 2jtt h GLU 52 N 0.00 0.46 -0.13 0.00 4.39 -1.34 -3.30 114.58 114.66 2jtt h GLU 52 Ca -0.00 -0.78 -0.13 0.00 0.34 0.00 0.00 59.36 58.79 2jtt h GLU 52 Cb 0.05 0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2jtt h GLU 52 CO 0.00 1.37 -0.47 0.82 -1.16 0.00 0.00 179.01 179.58 2jtt h ILE 53 N -0.01 1.33 0.00 3.13 1.08 -0.96 -1.03 117.51 121.04 2jtt h ILE 53 Ca -0.24 -1.67 -0.07 0.00 -0.39 0.00 0.00 64.86 62.48 2jtt h ILE 53 Cb 2.01 1.75 -0.01 0.00 -3.07 0.00 0.00 36.82 37.50 2jtt h ILE 53 CO 0.23 0.51 -0.35 -0.37 -0.69 0.00 0.00 178.15 177.48 2jtt h VAL 54 N 0.27 1.24 0.01 1.67 -1.51 -0.77 0.66 116.25 117.82 2jtt h VAL 54 Ca 0.02 -1.19 -0.23 0.00 -1.23 0.00 0.00 66.70 64.06 2jtt h VAL 54 Cb 0.93 1.64 0.01 0.00 -2.13 0.00 0.00 31.29 31.74 2jtt h VAL 54 CO 0.08 0.34 -0.98 0.50 -1.23 0.00 0.00 177.57 176.28 2jtt h LYS 55 N 0.00 0.44 -0.58 5.19 1.63 -1.51 -0.44 116.57 121.29 2jtt h LYS 55 Ca -0.00 -0.49 -0.03 0.00 -0.85 0.00 0.00 60.65 59.28 2jtt h LYS 55 Cb 0.61 0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.36 2jtt h LYS 55 CO 0.04 1.14 0.24 1.25 -3.45 0.00 0.00 179.45 178.68 2jtt h LEU 56 N 0.24 0.80 -1.16 5.20 6.46 -1.02 -1.15 115.31 124.68 2jtt h LEU 56 Ca -0.09 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.50 2jtt h LEU 56 Cb 1.62 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 41.31 2jtt h LEU 56 CO 0.17 0.75 0.45 -0.03 -0.62 0.00 0.00 178.44 179.16 2jtt h MET 57 N 0.81 1.03 -0.07 1.25 4.05 -0.84 -1.75 114.93 119.39 2jtt h MET 57 Ca 0.20 -0.09 -0.11 0.00 -0.28 0.00 0.00 59.70 59.41 2jtt h MET 57 Cb 0.19 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 2jtt h MET 57 CO -0.02 0.72 -0.46 0.22 0.23 0.00 0.00 176.91 177.61 2jtt h ASP 58 N 1.04 0.19 0.97 1.39 3.58 -0.71 0.11 116.42 122.99 2jtt h ASP 58 Ca 0.27 -0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.55 2jtt h ASP 58 Cb -0.04 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 2jtt h ASP 58 CO -0.05 0.62 -0.44 0.44 -2.88 0.00 0.00 179.24 176.93 2jtt h ASP 59 N 0.15 0.00 0.26 2.28 3.32 -0.90 -1.51 116.42 120.03 2jtt h ASP 59 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2jtt h ASP 59 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 2jtt h ASP 59 CO 0.07 0.44 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.83 2jtt h LEU 60 N 0.00 -0.30 -1.70 1.55 3.38 -1.03 -3.35 115.31 113.86 2jtt h LEU 60 Ca -0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2jtt h LEU 60 Cb 1.04 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2jtt h LEU 60 CO 0.06 0.19 0.00 -0.78 0.09 0.00 0.00 178.44 178.00 2jtt h ASP 61 N -0.95 0.00 -0.16 -0.43 3.58 -0.82 -2.61 116.42 115.02 2jtt h ASP 61 Ca -0.04 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.46 2jtt h ASP 61 Cb 0.49 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 2jtt h ASP 61 CO 0.06 0.00 0.40 -0.09 -2.88 0.00 0.00 179.24 176.73 2jtt h ARG 62 N 0.00 0.00 0.00 0.28 1.12 -1.41 -0.46 114.38 113.91 2jtt h ARG 62 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2jtt h ARG 62 Cb 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.24 2jtt h ARG 62 CO 0.00 0.00 0.00 -1.71 -3.11 0.00 0.00 179.97 175.15 2jtt n ASN 63 N -3.18 0.00 0.00 -3.80 4.05 -0.99 -4.89 115.26 106.46 2jtt n ASN 63 Ca 0.02 0.23 0.00 0.00 0.45 0.00 0.00 54.58 55.28 2jtt n ASN 63 Cb 0.49 -0.41 0.00 0.00 1.23 0.00 0.00 39.78 41.10 2jtt n ASN 63 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 2jtt n LYS 64 N -1.41 0.00 0.13 1.20 0.00 -0.19 -5.07 118.16 112.82 2jtt n LYS 64 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.41 2jtt n LYS 64 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.33 2jtt n LYS 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jtt n ASP 65 N 0.00 -2.31 -0.94 3.14 2.03 -1.21 -5.00 116.55 112.26 2jtt n ASP 65 Ca 0.00 0.52 -0.04 0.00 0.52 0.00 0.00 54.79 55.79 2jtt n ASP 65 Cb 0.00 2.36 -0.04 0.00 -0.72 0.00 0.00 41.12 42.71 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 -3.02 0.00 -3.78 -0.67 10.64 -1.26 -5.01 117.38 114.27 2jtt n GLN 66 Ca 0.00 -0.92 -0.06 0.00 -1.83 0.00 0.00 57.00 54.19 2jtt n GLN 66 Cb 0.00 0.31 -0.02 0.00 -0.86 0.00 0.00 30.24 29.68 2jtt n GLN 66 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 2jtt s GLU 67 N 0.00 1.51 -0.06 2.61 -1.05 -1.26 -1.31 118.70 119.14 2jtt s GLU 67 Ca 0.04 -0.81 -0.01 0.00 -0.15 0.00 0.00 54.97 54.04 2jtt s GLU 67 Cb 0.04 0.53 0.03 0.00 -0.44 0.00 0.00 34.13 34.29 2jtt s GLU 67 CO -0.02 -0.69 0.01 0.14 0.95 0.00 0.00 175.26 175.65 2jtt s VAL 68 N -3.65 0.27 0.61 1.83 -7.23 0.66 -4.50 120.40 108.39 2jtt s VAL 68 Ca 0.11 0.15 -0.08 0.00 -1.81 0.00 0.00 61.98 60.34 2jtt s VAL 68 Cb -0.04 -0.42 -0.01 0.00 0.56 0.00 0.00 36.38 36.48 2jtt s VAL 68 CO 0.04 0.22 0.97 0.20 -0.31 0.00 0.00 175.10 176.21 2jtt s ASN 69 N 1.72 5.77 0.22 4.85 0.01 -1.26 -1.17 114.94 125.07 2jtt s ASN 69 Ca 0.01 1.00 -0.08 0.00 -0.71 0.00 0.00 52.86 53.08 2jtt s ASN 69 Cb -0.13 -2.00 0.31 0.00 0.41 0.00 0.00 41.25 39.84 2jtt s ASN 69 CO -0.04 -1.03 1.76 0.15 -1.51 0.00 0.00 177.10 176.43 2jtt h PHE 70 N -0.28 0.50 -0.38 2.20 3.57 -1.75 -1.30 116.94 119.50 2jtt h PHE 70 Ca -0.45 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 2jtt h PHE 70 Cb 1.23 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 2jtt h PHE 70 CO 0.53 0.15 0.16 0.37 -2.23 0.00 0.00 178.31 177.29 2jtt h GLN 71 N 0.49 0.56 -0.13 1.11 4.15 -1.95 -2.70 115.11 116.65 2jtt h GLN 71 Ca 0.33 -0.10 -0.16 0.00 0.77 0.00 0.00 58.65 59.49 2jtt h GLN 71 Cb 0.38 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 2jtt h GLN 71 CO -0.29 0.53 -0.59 0.93 -1.93 0.00 0.00 178.83 177.48 2jtt h GLU 72 N 0.47 0.43 -0.96 1.69 3.07 -1.81 -0.13 114.58 117.34 2jtt h GLU 72 Ca 0.13 -0.29 0.03 0.00 -0.50 0.00 0.00 59.36 58.73 2jtt h GLU 72 Cb 0.17 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.07 2jtt h GLU 72 CO -0.01 0.89 0.63 -0.92 -1.40 0.00 0.00 179.01 178.20 2jtt h TYR 73 N 0.32 1.18 -0.06 4.33 3.20 -1.25 -2.02 116.97 122.68 2jtt h TYR 73 Ca -0.00 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.68 2jtt h TYR 73 Cb 1.13 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2jtt h TYR 73 CO 0.04 0.71 -0.84 0.82 -1.64 0.00 0.00 178.16 177.24 2jtt h ILE 74 N 1.24 1.36 -0.84 1.81 2.04 -1.03 -2.00 117.51 120.09 2jtt h ILE 74 Ca 0.37 -2.24 0.11 0.00 1.00 0.00 0.00 64.86 64.11 2jtt h ILE 74 Cb -0.05 2.22 -0.08 0.00 -0.74 0.00 0.00 36.82 38.17 2jtt h ILE 74 CO -0.10 0.68 0.47 0.74 0.00 0.00 0.00 178.15 179.93 2jtt h THR 75 N 0.31 0.85 -0.39 -0.27 2.02 -0.83 -1.00 112.91 113.60 2jtt h THR 75 Ca -0.06 -0.26 -0.15 0.00 0.77 0.00 0.00 66.41 66.71 2jtt h THR 75 Cb 1.46 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 2jtt h THR 75 CO 0.15 0.14 -0.35 0.15 0.37 0.00 0.00 175.52 175.98 2jtt h PHE 76 N 0.75 1.07 0.00 3.16 3.57 -1.31 -2.81 116.94 121.36 2jtt h PHE 76 Ca 0.42 -0.30 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2jtt h PHE 76 Cb 0.46 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 2jtt h PHE 76 CO -0.07 1.11 -0.01 -0.07 -2.23 0.00 0.00 178.31 177.05 2jtt h LEU 77 N 0.75 0.00 -0.78 0.59 3.38 -0.58 -0.93 115.31 117.74 2jtt h LEU 77 Ca 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2jtt h LEU 77 Cb 0.92 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 2jtt h LEU 77 CO 0.09 0.01 0.11 1.23 0.09 0.00 0.00 178.44 179.97 2jtt h GLY 78 N 0.51 1.12 1.45 0.83 0.00 -0.94 0.10 103.07 106.14 2jtt h GLY 78 Ca -0.00 -0.72 -0.20 0.00 0.00 0.00 0.00 47.33 46.41 2jtt h GLY 78 CO 0.00 0.67 -0.77 0.00 0.00 0.00 0.00 176.54 176.44 2jtt h ALA 79 N 1.14 0.48 -0.31 3.60 0.00 -1.26 -2.10 119.26 120.81 2jtt h ALA 79 Ca 0.20 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 2jtt h ALA 79 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jtt h ALA 79 CO 0.01 0.74 -0.21 1.25 0.00 0.00 0.00 179.25 181.04 2jtt h LEU 80 N 0.36 0.57 -0.13 0.00 5.85 -1.05 -0.40 115.31 120.51 2jtt h LEU 80 Ca -0.04 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 2jtt h LEU 80 Cb 1.36 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2jtt h LEU 80 CO 0.14 0.78 0.04 0.00 -0.34 0.00 0.00 178.44 179.06 2jtt h ALA 81 N 1.27 0.17 0.00 1.25 0.00 -0.83 -3.20 119.26 117.92 2jtt h ALA 81 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jtt h ALA 81 Cb 0.64 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jtt h ALA 81 CO 0.05 -0.21 -0.03 1.98 0.00 0.00 0.00 179.25 181.04 2jtt h MET 82 N 0.02 0.00 -0.21 0.00 1.85 -1.03 -2.65 114.93 112.91 2jtt h MET 82 Ca 0.04 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.15 2jtt h MET 82 Cb 0.23 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.25 2jtt h MET 82 CO -0.00 0.03 0.14 0.97 -0.40 0.00 0.00 176.91 177.65 2jtt h ILE 83 N 0.00 1.01 0.00 1.77 6.09 -1.07 -2.74 117.51 122.57 2jtt h ILE 83 Ca -0.00 -0.07 -0.34 0.00 -1.37 0.00 0.00 64.86 63.08 2jtt h ILE 83 Cb 0.05 0.78 -0.02 0.00 0.47 0.00 0.00 36.82 38.10 2jtt h ILE 83 CO 0.00 0.04 1.34 -1.22 -3.07 0.00 0.00 178.15 175.24 2jtt n TYR 84 N -4.50 0.89 0.04 2.19 4.01 -1.00 -4.78 117.16 114.01 2jtt n TYR 84 Ca 0.01 -1.90 0.22 0.00 -0.16 0.00 0.00 57.90 56.06 2jtt n TYR 84 Cb 0.13 -1.77 0.73 0.00 -0.31 0.00 0.00 39.34 38.12 2jtt n TYR 84 CO 0.00 0.00 0.00 -2.95 -0.46 0.00 0.00 176.86 173.45 2jtt h ASN 85 N 4.30 0.00 1.78 7.72 -1.07 -1.73 0.96 115.58 127.53 2jtt h ASN 85 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.79 2jtt h ASN 85 Cb 0.84 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.09 2jtt h ASN 85 CO 0.87 0.00 0.00 -0.33 0.07 0.00 0.00 177.43 178.04 2jtt h GLU 86 N 0.00 0.00 -0.16 4.14 4.39 -1.90 -2.01 114.58 119.04 2jtt h GLU 86 Ca 0.23 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.73 2jtt h GLU 86 Cb 1.20 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.86 2jtt h GLU 86 CO -0.00 0.00 -0.69 0.00 -1.16 0.00 0.00 179.01 177.15 2jtt h ALA 87 N 2.19 0.30 0.00 3.43 0.00 -1.20 -3.15 119.26 120.83 2jtt h ALA 87 Ca 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 2jtt h ALA 87 Cb 0.89 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2jtt h ALA 87 CO 0.00 0.61 -0.25 -0.07 0.00 0.00 0.00 179.25 179.54 2jtt h LEU 88 N 0.46 0.00 -1.09 0.00 4.07 -1.46 -2.92 115.31 114.37 2jtt h LEU 88 Ca -0.04 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.85 2jtt h LEU 88 Cb 1.32 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.05 2jtt h LEU 88 CO 0.14 0.25 -0.08 0.50 -1.08 0.00 0.00 178.44 178.17 2jtt h LYS 89 N 0.00 0.54 0.00 1.13 1.63 -1.32 -3.51 116.57 115.03 2jtt h LYS 89 Ca -0.00 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2jtt h LYS 89 Cb 0.48 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 2jtt h LYS 89 CO 0.03 0.63 0.00 0.41 -3.45 0.00 0.00 179.45 177.07