#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtt h ALA 2 N 0.00 1.13 -0.94 3.17 0.00 -2.05 -3.36 119.26 117.20 2jtt h ALA 2 Ca 0.00 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.10 2jtt h ALA 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 2jtt h ALA 2 CO 0.00 -0.07 0.60 0.66 0.00 0.00 0.00 179.25 180.44 2jtt h SER 3 N 0.00 0.60 -0.34 0.00 4.64 -2.05 -0.54 113.55 115.87 2jtt h SER 3 Ca 0.00 0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.30 2jtt h SER 3 Cb 0.14 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2jtt h SER 3 CO -0.00 0.25 -0.09 -0.65 -0.87 0.00 0.00 176.83 175.47 2jtt h PRO 4 N 0.60 0.76 0.19 4.77 0.11 -2.00 -1.44 132.00 134.99 2jtt h PRO 4 Ca 0.51 -0.24 -0.32 0.00 0.11 0.00 0.00 66.00 66.06 2jtt h PRO 4 Cb 0.98 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 32.03 2jtt h PRO 4 CO -0.25 0.82 -1.45 1.25 -0.21 0.00 0.00 178.00 178.16 2jtt h LEU 5 N 0.69 0.62 -0.78 2.35 5.85 -1.69 -3.27 115.31 119.08 2jtt h LEU 5 Ca 0.12 -0.72 0.04 0.00 0.84 0.00 0.00 57.88 58.16 2jtt h LEU 5 Cb 0.55 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2jtt h LEU 5 CO 0.03 1.57 0.49 -0.78 -0.34 0.00 0.00 178.44 179.41 2jtt h ASP 6 N 0.11 0.79 0.95 1.25 3.58 -1.07 -0.77 116.42 121.27 2jtt h ASP 6 Ca -0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2jtt h ASP 6 Cb 2.08 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.96 2jtt h ASP 6 CO 0.23 0.54 0.00 0.06 -2.88 0.00 0.00 179.24 177.19 2jtt h GLN 7 N 0.94 0.00 0.01 0.28 -0.00 -1.40 -1.73 115.11 113.20 2jtt h GLN 7 Ca 0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.92 2jtt h GLN 7 Cb 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.53 2jtt h GLN 7 CO -0.13 0.00 -0.23 0.00 -0.00 0.00 0.00 178.83 178.47 2jtt h ALA 8 N 2.05 0.04 -0.19 0.06 0.00 -1.27 -3.14 119.26 116.79 2jtt h ALA 8 Ca 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 2jtt h ALA 8 Cb 0.47 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2jtt h ALA 8 CO 0.00 0.13 -0.13 -0.84 0.00 0.00 0.00 179.25 178.41 2jtt h ILE 9 N -0.96 1.19 0.00 0.00 3.07 -1.16 -1.78 117.51 117.87 2jtt h ILE 9 Ca -0.06 -0.86 -0.04 0.00 1.55 0.00 0.00 64.86 65.45 2jtt h ILE 9 Cb 1.08 1.19 -0.01 0.00 -0.27 0.00 0.00 36.82 38.82 2jtt h ILE 9 CO -0.02 0.27 -0.20 1.23 -1.05 0.00 0.00 178.15 178.38 2jtt h GLY 10 N 0.81 0.00 0.88 0.16 0.00 -1.48 -3.04 103.07 100.39 2jtt h GLY 10 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2jtt h GLY 10 CO 0.02 0.00 -0.11 -2.00 0.00 0.00 0.00 176.54 174.45 2jtt h LEU 11 N 0.00 -0.27 -1.15 3.11 7.12 -1.27 -1.43 115.31 121.43 2jtt h LEU 11 Ca -0.00 -0.09 0.04 0.00 0.13 0.00 0.00 57.88 57.96 2jtt h LEU 11 Cb 0.74 0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.89 2jtt h LEU 11 CO 0.03 -0.08 0.58 -0.07 -0.13 0.00 0.00 178.44 178.77 2jtt h LEU 12 N -0.44 0.94 0.13 2.25 4.07 -1.53 -1.07 115.31 119.66 2jtt h LEU 12 Ca -0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 2jtt h LEU 12 Cb 0.34 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.86 2jtt h LEU 12 CO 0.05 0.64 -0.06 0.40 -1.08 0.00 0.00 178.44 178.39 2jtt h ILE 13 N 1.09 0.91 0.00 1.22 2.04 -1.42 -2.09 117.51 119.27 2jtt h ILE 13 Ca 0.36 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 66.02 2jtt h ILE 13 Cb 0.05 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2jtt h ILE 13 CO -0.11 0.04 -0.20 1.23 0.00 0.00 0.00 178.15 179.11 2jtt h GLY 14 N -0.24 0.00 1.00 5.37 0.00 -0.76 -2.20 103.07 106.25 2jtt h GLY 14 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.11 2jtt h GLY 14 CO 0.03 0.00 -0.76 -2.22 0.00 0.00 0.00 176.54 173.58 2jtt h ILE 15 N 0.00 1.34 0.42 2.60 2.04 -1.21 -3.34 117.51 119.36 2jtt h ILE 15 Ca -0.00 -2.08 -0.02 0.00 1.00 0.00 0.00 64.86 63.76 2jtt h ILE 15 Cb 0.62 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 2jtt h ILE 15 CO 0.03 0.63 -0.20 0.15 0.00 0.00 0.00 178.15 178.75 2jtt h PHE 16 N 0.20 -0.52 0.00 1.37 3.57 -0.92 -3.32 116.94 117.33 2jtt h PHE 16 Ca -0.08 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 2jtt h PHE 16 Cb 1.43 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 40.34 2jtt h PHE 16 CO 0.12 -0.20 -0.02 0.45 -2.23 0.00 0.00 178.31 176.43 2jtt h HIS 17 N -0.99 0.00 -0.92 0.41 3.86 -1.62 -1.20 115.15 114.68 2jtt h HIS 17 Ca -0.06 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2jtt h HIS 17 Cb 0.55 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.97 2jtt h HIS 17 CO 0.02 0.02 0.61 -0.22 0.86 0.00 0.00 177.93 179.21 2jtt h LYS 18 N 0.00 1.16 0.00 2.45 3.64 -1.68 -1.98 116.57 120.16 2jtt h LYS 18 Ca -0.00 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 2jtt h LYS 18 Cb 0.45 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2jtt h LYS 18 CO 0.00 0.77 -0.77 1.88 -2.27 0.00 0.00 179.45 179.06 2jtt h TYR 19 N 1.20 0.00 -0.73 1.91 0.05 -1.33 -3.28 116.97 114.79 2jtt h TYR 19 Ca 0.36 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.12 2jtt h TYR 19 Cb -0.05 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 2jtt h TYR 19 CO -0.01 0.58 0.39 0.77 -1.05 0.00 0.00 178.16 178.84 2jtt h SER 20 N 0.00 0.92 0.08 3.88 0.02 -1.19 -2.86 113.55 114.40 2jtt h SER 20 Ca -0.04 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2jtt h SER 20 Cb 1.48 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2jtt h SER 20 CO 0.07 0.76 0.00 0.61 -1.14 0.00 0.00 176.83 177.13 2jtt n GLY 21 N -1.05 -0.41 0.26 -3.77 0.00 -0.76 -1.55 105.19 97.89 2jtt n GLY 21 Ca 0.06 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.18 2jtt n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jtt h LYS 22 N 0.00 0.00 0.00 1.61 1.79 -1.63 -3.30 116.57 115.04 2jtt h LYS 22 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2jtt h LYS 22 Cb 0.04 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2jtt h LYS 22 CO 0.00 0.14 -1.09 0.39 -1.08 0.00 0.00 179.45 177.81 2jtt n GLU 23 N -3.54 3.52 -1.01 3.15 1.02 -0.64 -5.16 120.64 117.98 2jtt n GLU 23 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2jtt n GLU 23 Cb 0.28 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 2jtt n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jtt n GLY 24 N 2.96 0.17 3.57 0.62 0.00 -0.60 -5.07 105.19 106.84 2jtt n GLY 24 Ca -0.02 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 2jtt n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jtt s ASP 25 N -4.00 5.96 -0.18 1.61 2.15 -1.26 -3.12 116.67 117.82 2jtt s ASP 25 Ca 0.00 0.33 -0.26 0.00 0.43 0.00 0.00 52.55 53.05 2jtt s ASP 25 Cb 0.00 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 40.15 2jtt s ASP 25 CO 0.00 -1.84 0.69 -1.59 -0.17 0.00 0.00 175.17 172.26 2jtt s LYS 26 N 5.81 0.90 -0.23 4.34 -2.85 -1.26 -5.07 119.74 121.38 2jtt s LYS 26 Ca 0.56 0.70 0.07 0.00 -1.00 0.00 0.00 55.97 56.30 2jtt s LYS 26 Cb -0.12 0.43 0.53 0.00 -2.06 0.00 0.00 37.83 36.62 2jtt s LYS 26 CO 0.24 -0.18 1.49 1.58 0.10 0.00 0.00 175.35 178.59 2jtt n HIS 27 N 2.05 1.77 -3.83 1.78 -0.00 -1.26 -4.82 115.22 110.91 2jtt n HIS 27 Ca -0.16 -0.91 -0.12 0.00 -0.00 0.00 0.00 57.72 56.53 2jtt n HIS 27 Cb 0.56 -0.54 -0.10 0.00 -0.00 0.00 0.00 29.99 29.91 2jtt n HIS 27 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 2jtt s THR 28 N -2.27 0.06 -0.08 3.57 -1.32 -1.26 -1.64 115.64 112.69 2jtt s THR 28 Ca 0.39 -0.52 0.05 0.00 -1.21 0.00 0.00 61.69 60.39 2jtt s THR 28 Cb 0.31 -0.47 -0.00 0.00 -1.51 0.00 0.00 72.50 70.83 2jtt s THR 28 CO 0.10 -0.29 -0.24 -0.22 -2.21 0.00 0.00 174.62 171.76 2jtt s LEU 29 N -1.14 2.07 0.47 9.08 2.96 0.08 -4.80 118.68 127.40 2jtt s LEU 29 Ca -0.12 -0.54 -0.19 0.00 -0.22 0.00 0.00 54.13 53.06 2jtt s LEU 29 Cb -0.06 -1.38 -0.09 0.00 0.50 0.00 0.00 46.19 45.16 2jtt s LEU 29 CO 0.02 0.18 0.99 -0.55 -1.32 0.00 0.00 176.35 175.67 2jtt s SER 30 N 0.18 6.64 0.35 3.68 0.15 -1.26 -0.25 113.70 123.20 2jtt s SER 30 Ca -0.14 1.73 0.03 0.00 0.70 0.00 0.00 55.95 58.27 2jtt s SER 30 Cb -0.16 -2.54 0.65 0.00 -1.71 0.00 0.00 66.02 62.26 2jtt s SER 30 CO 0.07 -0.57 2.01 0.07 1.20 0.00 0.00 173.24 176.02 2jtt h LYS 31 N 1.49 0.80 0.00 5.44 2.10 -1.75 0.20 116.57 124.85 2jtt h LYS 31 Ca -0.48 -0.05 -0.20 0.00 -2.00 0.00 0.00 60.65 57.91 2jtt h LYS 31 Cb 1.19 -0.18 -0.03 0.00 -0.90 0.00 0.00 32.23 32.32 2jtt h LYS 31 CO 0.60 0.54 -0.97 0.87 -2.00 0.00 0.00 179.45 178.49 2jtt h LYS 32 N 0.82 0.00 -0.59 0.07 1.57 -1.93 -1.78 116.57 114.73 2jtt h LYS 32 Ca 0.22 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 2jtt h LYS 32 Cb -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2jtt h LYS 32 CO -0.05 0.97 0.06 1.49 -0.57 0.00 0.00 179.45 181.36 2jtt h GLU 33 N 0.00 0.97 -0.39 3.15 4.81 -1.75 -1.39 114.58 120.00 2jtt h GLU 33 Ca -0.01 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 2jtt h GLU 33 Cb 1.74 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.99 2jtt h GLU 33 CO 0.13 0.92 0.14 1.25 -0.73 0.00 0.00 179.01 180.72 2jtt h LEU 34 N 0.91 0.54 -1.33 1.64 7.12 -0.62 -1.35 115.31 122.21 2jtt h LEU 34 Ca 0.18 -0.18 0.03 0.00 0.13 0.00 0.00 57.88 58.03 2jtt h LEU 34 Cb 0.45 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.40 2jtt h LEU 34 CO 0.02 0.58 0.47 0.50 -0.13 0.00 0.00 178.44 179.87 2jtt h LYS 35 N 0.48 0.86 -0.45 1.25 3.64 -0.95 0.46 116.57 121.85 2jtt h LYS 35 Ca 0.13 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2jtt h LYS 35 Cb 0.21 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2jtt h LYS 35 CO -0.01 0.57 -0.04 1.49 -2.27 0.00 0.00 179.45 179.19 2jtt h GLU 36 N 0.88 0.82 -0.01 1.90 4.57 -1.06 -1.27 114.58 120.42 2jtt h GLU 36 Ca 0.28 -0.28 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2jtt h GLU 36 Cb 0.01 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 2jtt h GLU 36 CO -0.07 0.90 -0.20 1.25 -1.18 0.00 0.00 179.01 179.71 2jtt h LEU 37 N 0.66 -0.59 -0.40 1.64 6.46 -0.50 -2.61 115.31 119.98 2jtt h LEU 37 Ca 0.12 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.97 2jtt h LEU 37 Cb 0.56 0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 2jtt h LEU 37 CO 0.03 -0.27 0.24 0.40 -0.62 0.00 0.00 178.44 178.22 2jtt h ILE 38 N -0.32 1.13 0.00 4.05 2.04 -0.82 0.23 117.51 123.82 2jtt h ILE 38 Ca 0.06 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 2jtt h ILE 38 Cb 0.40 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2jtt h ILE 38 CO -0.19 0.13 -0.15 1.56 0.00 0.00 0.00 178.15 179.50 2jtt h GLN 39 N 0.52 0.00 0.00 2.37 1.08 -1.15 0.42 115.11 118.34 2jtt h GLN 39 Ca 0.14 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2jtt h GLN 39 Cb 0.01 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2jtt h GLN 39 CO -0.03 0.15 -0.34 -0.22 -0.95 0.00 0.00 178.83 177.45 2jtt h LYS 40 N 0.00 0.00 -0.01 1.46 1.63 -1.16 -3.38 116.57 115.11 2jtt h LYS 40 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2jtt h LYS 40 Cb 0.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 2jtt h LYS 40 CO 0.02 0.09 -0.15 0.39 -3.45 0.00 0.00 179.45 176.35 2jtt n GLU 41 N -4.67 0.98 -2.63 1.90 4.71 0.77 -3.56 120.64 118.15 2jtt n GLU 41 Ca -0.06 -0.50 -0.12 0.00 -0.01 0.00 0.00 57.16 56.47 2jtt n GLU 41 Cb 0.19 -1.49 0.02 0.00 -1.01 0.00 0.00 31.44 29.16 2jtt n GLU 41 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2jtt n LEU 42 N -0.57 2.08 -4.31 -4.62 4.77 0.13 -4.98 117.00 109.50 2jtt n LEU 42 Ca 0.15 -3.98 -0.59 0.00 -0.03 0.00 0.00 56.01 51.56 2jtt n LEU 42 Cb 0.32 0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.59 2jtt n LEU 42 CO 0.23 1.67 0.81 0.41 -1.33 0.00 0.00 177.39 179.18 2jtt n THR 43 N -0.16 0.00 -3.93 -5.08 -1.04 -1.23 -4.68 114.28 98.17 2jtt n THR 43 Ca 0.15 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.80 2jtt n THR 43 Cb 0.79 -0.24 -0.08 0.00 -1.82 0.00 0.00 70.33 68.98 2jtt n THR 43 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2jtt s ILE 44 N 1.42 5.14 0.00 12.58 -1.09 -1.26 -5.02 121.20 132.98 2jtt s ILE 44 Ca 0.91 0.08 -0.02 0.00 -2.23 0.00 0.00 60.65 59.40 2jtt s ILE 44 Cb -1.29 -3.29 -0.07 0.00 -1.58 0.00 0.00 42.46 36.23 2jtt s ILE 44 CO 0.65 0.52 2.28 0.61 -1.23 0.00 0.00 174.94 177.77 2jtt n GLY 45 N 2.91 2.48 2.47 6.18 0.00 -1.26 -4.65 105.19 113.32 2jtt n GLY 45 Ca -0.18 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 2jtt n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jtt n SER 46 N 1.84 -5.53 -4.75 1.61 7.64 -1.26 -5.01 113.62 108.15 2jtt n SER 46 Ca 0.12 0.23 -0.29 0.00 1.01 0.00 0.00 58.87 59.94 2jtt n SER 46 Cb 0.57 -4.67 0.15 0.00 -1.01 0.00 0.00 64.21 59.25 2jtt n SER 46 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jtt s LYS 47 N -4.35 0.91 0.00 1.43 1.02 -1.26 -4.97 119.74 112.52 2jtt s LYS 47 Ca 0.00 0.33 0.20 0.00 0.02 0.00 0.00 55.97 56.52 2jtt s LYS 47 Cb 0.00 -1.81 1.12 0.00 -0.52 0.00 0.00 37.83 36.62 2jtt s LYS 47 CO 0.00 -2.36 1.59 1.28 -0.92 0.00 0.00 175.35 174.93 2jtt n LEU 48 N -3.89 0.00 0.15 3.17 4.77 -1.26 -4.00 117.00 115.95 2jtt n LEU 48 Ca 0.06 0.10 0.19 0.00 -0.03 0.00 0.00 56.01 56.33 2jtt n LEU 48 Cb 0.59 -0.10 0.77 0.00 -2.33 0.00 0.00 43.42 42.35 2jtt n LEU 48 CO 0.57 -0.04 1.17 -0.61 -1.33 0.00 0.00 177.39 177.15 2jtt h GLN 49 N 0.00 0.00 -0.02 3.23 5.75 -2.02 -2.52 115.11 119.54 2jtt h GLN 49 Ca 0.00 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 2jtt h GLN 49 Cb 0.06 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 2jtt h GLN 49 CO 0.00 0.00 0.03 0.22 -2.65 0.00 0.00 178.83 176.43 2jtt h ASP 50 N 0.00 0.00 0.32 -0.69 3.58 -1.99 0.14 116.42 117.78 2jtt h ASP 50 Ca 0.14 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 2jtt h ASP 50 Cb 0.92 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 2jtt h ASP 50 CO -0.00 0.00 -0.29 0.00 -2.88 0.00 0.00 179.24 176.07 2jtt h ALA 51 N 1.97 1.48 0.07 -0.78 0.00 -1.80 0.15 119.26 120.36 2jtt h ALA 51 Ca 0.01 -0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.40 2jtt h ALA 51 Cb 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jtt h ALA 51 CO -0.00 0.36 -1.23 0.93 0.00 0.00 0.00 179.25 179.31 2jtt h GLU 52 N 0.00 0.16 -0.62 0.00 4.39 -0.97 -3.27 114.58 114.26 2jtt h GLU 52 Ca -0.00 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 2jtt h GLU 52 Cb 0.52 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 2jtt h GLU 52 CO 0.04 1.08 0.26 0.82 -1.16 0.00 0.00 179.01 180.05 2jtt h ILE 53 N 0.04 1.23 -0.03 3.13 1.08 -0.69 0.71 117.51 122.98 2jtt h ILE 53 Ca -0.12 -0.71 -0.05 0.00 -0.39 0.00 0.00 64.86 63.60 2jtt h ILE 53 Cb 1.91 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 36.19 2jtt h ILE 53 CO 0.16 0.28 -0.20 -0.37 -0.69 0.00 0.00 178.15 177.33 2jtt h VAL 54 N 0.86 1.16 0.02 1.67 -1.51 -1.11 0.17 116.25 117.51 2jtt h VAL 54 Ca 0.21 -0.75 -0.24 0.00 -1.23 0.00 0.00 66.70 64.69 2jtt h VAL 54 Cb 0.19 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 2jtt h VAL 54 CO -0.02 0.22 -1.00 0.50 -1.23 0.00 0.00 177.57 176.04 2jtt h LYS 55 N 0.04 0.41 -0.25 5.19 1.63 -1.52 -2.78 116.57 119.29 2jtt h LYS 55 Ca 0.01 -0.47 -0.08 0.00 -0.85 0.00 0.00 60.65 59.25 2jtt h LYS 55 Cb 0.38 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 2jtt h LYS 55 CO 0.03 1.14 -0.21 1.25 -3.45 0.00 0.00 179.45 178.21 2jtt h LEU 56 N 0.22 0.45 -0.84 5.20 6.46 -0.41 -0.96 115.31 125.43 2jtt h LEU 56 Ca -0.09 -0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 2jtt h LEU 56 Cb 1.65 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 41.42 2jtt h LEU 56 CO 0.17 0.67 0.55 -0.03 -0.62 0.00 0.00 178.44 179.18 2jtt h MET 57 N 0.41 1.11 -0.49 1.25 4.05 -0.73 -0.09 114.93 120.45 2jtt h MET 57 Ca 0.07 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.34 2jtt h MET 57 Cb 0.59 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 2jtt h MET 57 CO 0.04 0.74 -0.00 0.22 0.23 0.00 0.00 176.91 178.14 2jtt h ASP 58 N 1.14 0.78 1.15 1.39 3.58 -1.16 -0.39 116.42 122.90 2jtt h ASP 58 Ca 0.31 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2jtt h ASP 58 Cb -0.12 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.72 2jtt h ASP 58 CO -0.07 0.84 0.00 0.44 -2.88 0.00 0.00 179.24 177.58 2jtt h ASP 59 N 0.75 0.00 0.08 2.28 3.32 -0.72 -1.21 116.42 120.92 2jtt h ASP 59 Ca 0.15 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 2jtt h ASP 59 Cb 0.46 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.02 2jtt h ASP 59 CO 0.02 0.00 -0.63 -0.07 -1.72 0.00 0.00 179.24 176.84 2jtt h LEU 60 N 0.00 0.27 -2.62 1.55 3.38 -0.69 -3.32 115.31 113.88 2jtt h LEU 60 Ca 0.00 -0.93 0.01 0.00 0.09 0.00 0.00 57.88 57.05 2jtt h LEU 60 Cb 0.57 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2jtt h LEU 60 CO 0.00 1.29 0.05 -0.78 0.09 0.00 0.00 178.44 179.09 2jtt h ASP 61 N -0.62 0.00 -0.02 -0.43 3.58 -1.01 -1.97 116.42 115.95 2jtt h ASP 61 Ca -0.12 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.33 2jtt h ASP 61 Cb 1.41 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.46 2jtt h ASP 61 CO 0.07 0.00 0.04 -0.09 -2.88 0.00 0.00 179.24 176.37 2jtt h ARG 62 N 0.00 0.00 -0.07 0.28 2.43 -1.31 -2.32 114.38 113.39 2jtt h ARG 62 Ca 0.01 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 2jtt h ARG 62 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2jtt h ARG 62 CO -0.00 0.00 -0.34 -0.91 -1.51 0.00 0.00 179.97 177.21 2jtt h ASN 63 N 0.00 0.42 -3.58 -3.80 2.35 -1.53 -3.48 115.58 105.97 2jtt h ASN 63 Ca 0.01 -0.65 -0.00 0.00 -0.55 0.00 0.00 56.30 55.11 2jtt h ASN 63 Cb 0.08 -0.13 -0.22 0.00 0.05 0.00 0.00 38.32 38.11 2jtt h ASN 63 CO -0.00 1.00 0.16 -0.75 -1.65 0.00 0.00 177.43 176.19 2jtt s LYS 64 N -3.65 0.74 0.13 0.81 2.20 -0.87 -5.10 119.74 114.00 2jtt s LYS 64 Ca -0.14 0.98 -0.31 0.00 -0.36 0.00 0.00 55.97 56.14 2jtt s LYS 64 Cb 0.04 0.31 -0.10 0.00 -1.51 0.00 0.00 37.83 36.56 2jtt s LYS 64 CO 0.78 -0.11 1.73 0.34 -0.36 0.00 0.00 175.35 177.73 2jtt s ASP 65 N 0.71 6.48 0.00 1.43 2.15 -1.24 -3.98 116.67 122.21 2jtt s ASP 65 Ca -0.02 2.70 0.00 0.00 0.43 0.00 0.00 52.55 55.65 2jtt s ASP 65 Cb -0.05 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2jtt s ASP 65 CO -0.06 -0.94 0.00 0.00 -0.17 0.00 0.00 175.17 174.00 2jtt n GLN 66 N 5.07 0.00 -4.56 4.34 6.02 -1.26 -4.82 117.38 122.16 2jtt n GLN 66 Ca 0.16 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.94 2jtt n GLN 66 Cb 0.38 -0.07 -0.15 0.00 1.02 0.00 0.00 30.24 31.42 2jtt n GLN 66 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2jtt s GLU 67 N 0.00 1.06 -0.18 -1.09 2.02 -1.26 -1.84 118.70 117.41 2jtt s GLU 67 Ca 0.00 -0.44 -0.04 0.00 0.02 0.00 0.00 54.97 54.51 2jtt s GLU 67 Cb 0.00 -1.02 -0.02 0.00 0.10 0.00 0.00 34.13 33.19 2jtt s GLU 67 CO 0.00 0.25 -0.04 0.08 0.02 0.00 0.00 175.26 175.57 2jtt s VAL 68 N -0.21 3.70 0.56 2.63 1.01 0.66 -4.64 120.40 124.10 2jtt s VAL 68 Ca 0.03 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 2jtt s VAL 68 Cb -0.06 -2.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 2jtt s VAL 68 CO -0.00 0.46 1.03 0.21 0.00 0.00 0.00 175.10 176.79 2jtt s ASN 69 N 0.81 6.16 0.26 3.32 3.84 -1.26 -0.74 114.94 127.33 2jtt s ASN 69 Ca -0.01 1.70 -0.03 0.00 0.21 0.00 0.00 52.86 54.73 2jtt s ASN 69 Cb -0.15 -2.52 0.54 0.00 -0.55 0.00 0.00 41.25 38.57 2jtt s ASN 69 CO 0.02 -0.90 1.65 0.15 -2.79 0.00 0.00 177.10 175.23 2jtt h PHE 70 N 0.65 0.18 -0.27 0.43 3.57 -1.69 0.30 116.94 120.10 2jtt h PHE 70 Ca -0.47 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 60.99 2jtt h PHE 70 Cb 1.20 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 2jtt h PHE 70 CO 0.61 -0.19 -0.22 0.37 -2.23 0.00 0.00 178.31 176.65 2jtt h GLN 71 N 0.19 0.51 -0.15 1.11 4.15 -1.93 -0.13 115.11 118.85 2jtt h GLN 71 Ca 0.46 -0.18 -0.14 0.00 0.77 0.00 0.00 58.65 59.56 2jtt h GLN 71 Cb 0.85 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 2jtt h GLN 71 CO -0.62 0.70 -0.50 0.93 -1.93 0.00 0.00 178.83 177.41 2jtt h GLU 72 N 0.45 0.40 -0.36 1.69 5.08 -1.54 -0.55 114.58 119.76 2jtt h GLU 72 Ca 0.07 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2jtt h GLU 72 Cb 0.63 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2jtt h GLU 72 CO 0.04 0.81 0.05 -0.92 -1.00 0.00 0.00 179.01 177.99 2jtt h TYR 73 N 0.32 0.64 -0.52 4.33 5.03 -0.62 -0.24 116.97 125.90 2jtt h TYR 73 Ca 0.01 -0.09 -0.02 0.00 2.58 0.00 0.00 58.73 61.22 2jtt h TYR 73 Cb 0.99 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 39.07 2jtt h TYR 73 CO 0.03 0.66 0.26 0.82 -1.32 0.00 0.00 178.16 178.61 2jtt h ILE 74 N 0.43 1.19 -0.36 1.81 1.08 -0.92 -1.24 117.51 119.50 2jtt h ILE 74 Ca 0.11 -0.53 0.02 0.00 -0.39 0.00 0.00 64.86 64.06 2jtt h ILE 74 Cb 0.37 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 2jtt h ILE 74 CO 0.01 0.21 0.21 0.74 -0.69 0.00 0.00 178.15 178.63 2jtt h THR 75 N 0.70 1.03 -0.42 -0.27 2.02 -1.00 -0.55 112.91 114.42 2jtt h THR 75 Ca 0.18 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 67.12 2jtt h THR 75 Cb 0.10 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2jtt h THR 75 CO -0.02 0.08 -0.13 0.15 0.37 0.00 0.00 175.52 175.96 2jtt h PHE 76 N 0.43 0.83 0.00 3.16 3.04 -0.93 -1.35 116.94 122.13 2jtt h PHE 76 Ca 0.15 -0.16 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 2jtt h PHE 76 Cb 0.01 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 2jtt h PHE 76 CO -0.08 0.84 -0.28 -0.07 -2.02 0.00 0.00 178.31 176.70 2jtt h LEU 77 N 0.68 0.00 -0.56 0.59 3.38 -0.87 0.11 115.31 118.64 2jtt h LEU 77 Ca 0.11 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2jtt h LEU 77 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2jtt h LEU 77 CO 0.04 0.28 -0.28 1.23 0.09 0.00 0.00 178.44 179.81 2jtt h GLY 78 N 0.96 0.93 0.92 0.83 0.00 -0.56 -0.53 103.07 105.63 2jtt h GLY 78 Ca -0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 47.33 46.42 2jtt h GLY 78 CO 0.04 0.77 0.01 0.00 0.00 0.00 0.00 176.54 177.36 2jtt h ALA 79 N 0.95 0.49 -0.93 3.60 0.00 -0.85 -2.48 119.26 120.05 2jtt h ALA 79 Ca 0.09 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2jtt h ALA 79 Cb 0.83 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2jtt h ALA 79 CO 0.07 0.25 0.61 1.25 0.00 0.00 0.00 179.25 181.44 2jtt h LEU 80 N 0.46 1.05 -1.56 0.00 5.85 -0.72 -1.44 115.31 118.95 2jtt h LEU 80 Ca 0.10 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2jtt h LEU 80 Cb 0.45 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2jtt h LEU 80 CO 0.02 0.75 -0.22 0.00 -0.34 0.00 0.00 178.44 178.65 2jtt h ALA 81 N 1.35 1.64 0.00 1.25 0.00 -1.06 -2.88 119.26 119.57 2jtt h ALA 81 Ca 0.35 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2jtt h ALA 81 Cb -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2jtt h ALA 81 CO -0.09 0.27 -0.55 1.98 0.00 0.00 0.00 179.25 180.87 2jtt h MET 82 N 0.00 0.00 -0.96 0.00 1.85 -0.79 -2.99 114.93 112.04 2jtt h MET 82 Ca -0.00 0.00 0.11 0.00 -0.61 0.00 0.00 59.70 59.20 2jtt h MET 82 Cb 0.39 0.00 -0.08 0.00 0.43 0.00 0.00 31.60 32.34 2jtt h MET 82 CO 0.03 0.55 0.59 0.82 -0.40 0.00 0.00 176.91 178.50 2jtt h ILE 83 N 0.00 0.93 0.00 1.77 1.08 -1.22 -3.27 117.51 116.80 2jtt h ILE 83 Ca -0.01 -0.33 -0.05 0.00 -0.39 0.00 0.00 64.86 64.09 2jtt h ILE 83 Cb 1.13 -0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 2jtt h ILE 83 CO 0.07 0.17 -0.07 -1.22 -0.69 0.00 0.00 178.15 176.42 2jtt n TYR 84 N -4.64 0.00 0.12 1.37 4.01 -1.13 -4.72 117.16 112.17 2jtt n TYR 84 Ca 0.17 -0.95 0.07 0.00 -0.16 0.00 0.00 57.90 57.04 2jtt n TYR 84 Cb 0.32 -0.73 0.38 0.00 -0.31 0.00 0.00 39.34 39.00 2jtt n TYR 84 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2jtt n ASN 85 N 1.88 0.36 0.13 7.72 0.23 -1.24 -1.55 115.26 122.79 2jtt n ASN 85 Ca 0.10 0.62 0.05 0.00 -0.53 0.00 0.00 54.58 54.82 2jtt n ASN 85 Cb 0.51 -0.64 0.47 0.00 -2.08 0.00 0.00 39.78 38.05 2jtt n ASN 85 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2jtt h GLU 86 N 0.00 0.24 0.00 -3.83 4.81 -1.94 -2.55 114.58 111.31 2jtt h GLU 86 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2jtt h GLU 86 Cb 0.21 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2jtt h GLU 86 CO 0.00 0.26 0.00 0.00 -0.73 0.00 0.00 179.01 178.54 2jtt h ALA 87 N 1.78 1.00 -0.35 2.92 0.00 -1.56 0.18 119.26 123.22 2jtt h ALA 87 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jtt h ALA 87 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jtt h ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2jtt n LEU 88 N -2.67 2.09 0.00 0.00 4.77 -0.96 -4.15 117.00 116.08 2jtt n LEU 88 Ca -0.02 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 2jtt n LEU 88 Cb 0.08 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2jtt n LEU 88 CO 0.16 0.50 0.00 2.29 -1.33 0.00 0.00 177.39 179.01 2jtt n LYS 89 N 0.63 3.37 0.00 3.23 2.85 -0.54 -5.15 118.16 122.54 2jtt n LYS 89 Ca 0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 2jtt n LYS 89 Cb 0.34 -0.28 0.00 0.00 -0.65 0.00 0.00 35.03 34.44 2jtt n LYS 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76