#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 2.55 -0.34 3.04 0.00 -1.26 -4.69 120.51 119.81 2jtt n ALA 2 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.39 2jtt n ALA 2 Cb 0.00 -1.26 0.13 0.00 0.00 0.00 0.00 19.45 18.32 2jtt n ALA 2 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jtt n SER 3 N -0.76 -0.35 0.04 0.00 3.41 -1.26 -0.70 113.62 113.99 2jtt n SER 3 Ca 0.12 1.63 -0.01 0.00 -0.26 0.00 0.00 58.87 60.35 2jtt n SER 3 Cb 0.05 -0.49 0.27 0.00 -0.26 0.00 0.00 64.21 63.79 2jtt n SER 3 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2jtt h PRO 4 N 0.00 0.43 0.17 4.33 0.13 -2.01 -1.41 132.00 133.64 2jtt h PRO 4 Ca 0.45 -0.12 -0.31 0.00 -0.87 0.00 0.00 66.00 65.14 2jtt h PRO 4 Cb 0.68 -0.04 0.01 0.00 0.13 0.00 0.00 31.00 31.78 2jtt h PRO 4 CO -0.97 0.58 -1.44 1.25 -0.23 0.00 0.00 178.00 177.18 2jtt h LEU 5 N 0.40 0.56 -1.47 1.56 5.85 -1.59 -3.33 115.31 117.28 2jtt h LEU 5 Ca 0.07 -0.65 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 2jtt h LEU 5 Cb 0.50 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2jtt h LEU 5 CO 0.03 1.53 0.26 -0.78 -0.34 0.00 0.00 178.44 179.14 2jtt h ASP 6 N 0.10 0.55 0.79 1.25 3.58 -0.64 -0.20 116.42 121.85 2jtt h ASP 6 Ca -0.22 -0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.10 2jtt h ASP 6 Cb 2.05 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.95 2jtt h ASP 6 CO 0.21 0.44 -0.46 0.06 -2.88 0.00 0.00 179.24 176.61 2jtt h GLN 7 N 0.63 0.00 0.05 0.28 3.07 -1.43 -1.63 115.11 116.09 2jtt h GLN 7 Ca 0.17 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.83 2jtt h GLN 7 Cb -0.00 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.56 2jtt h GLN 7 CO -0.03 0.46 -0.36 0.00 0.09 0.00 0.00 178.83 178.99 2jtt h ALA 8 N 1.54 -0.01 -0.37 0.06 0.00 -1.25 -2.54 119.26 116.68 2jtt h ALA 8 Ca -0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 2jtt h ALA 8 Cb 0.98 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2jtt h ALA 8 CO 0.06 0.18 0.02 -0.84 0.00 0.00 0.00 179.25 178.66 2jtt h ILE 9 N -0.78 1.20 0.00 0.00 3.07 -1.22 -1.60 117.51 118.18 2jtt h ILE 9 Ca -0.07 -0.79 -0.01 0.00 1.55 0.00 0.00 64.86 65.54 2jtt h ILE 9 Cb 1.24 0.91 -0.00 0.00 -0.27 0.00 0.00 36.82 38.70 2jtt h ILE 9 CO 0.04 0.27 -0.07 1.23 -1.05 0.00 0.00 178.15 178.58 2jtt h GLY 10 N 0.85 0.00 0.39 0.16 0.00 -1.38 -1.03 103.07 102.06 2jtt h GLY 10 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 2jtt h GLY 10 CO 0.01 0.00 -0.03 -2.00 0.00 0.00 0.00 176.54 174.52 2jtt h LEU 11 N 0.00 -0.07 -0.95 3.11 7.12 -0.84 -0.46 115.31 123.21 2jtt h LEU 11 Ca -0.00 -0.51 0.05 0.00 0.13 0.00 0.00 57.88 57.56 2jtt h LEU 11 Cb 0.21 0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 40.30 2jtt h LEU 11 CO 0.01 0.51 0.61 -0.07 -0.13 0.00 0.00 178.44 179.37 2jtt h LEU 12 N -0.70 0.99 0.18 2.25 4.07 -1.27 0.12 115.31 120.95 2jtt h LEU 12 Ca -0.01 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2jtt h LEU 12 Cb 0.58 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2jtt h LEU 12 CO 0.01 0.65 -0.09 0.40 -1.08 0.00 0.00 178.44 178.33 2jtt h ILE 13 N 1.14 0.87 0.00 1.22 2.04 -1.24 -1.85 117.51 119.69 2jtt h ILE 13 Ca 0.40 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.99 2jtt h ILE 13 Cb 0.11 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2jtt h ILE 13 CO -0.16 0.05 -0.25 1.23 0.00 0.00 0.00 178.15 179.03 2jtt h GLY 14 N -0.35 0.00 0.42 5.37 0.00 -0.52 -1.24 103.07 106.75 2jtt h GLY 14 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2jtt h GLY 14 CO 0.04 0.00 -0.14 -2.22 0.00 0.00 0.00 176.54 174.22 2jtt h ILE 15 N 0.00 0.41 -0.41 2.60 2.04 -0.79 -3.29 117.51 118.07 2jtt h ILE 15 Ca -0.00 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.05 2jtt h ILE 15 Cb 0.53 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2jtt h ILE 15 CO 0.03 0.10 0.26 0.15 0.00 0.00 0.00 178.15 178.70 2jtt h PHE 16 N -0.99 0.50 0.00 1.37 3.04 -1.09 -2.93 116.94 116.83 2jtt h PHE 16 Ca -0.04 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2jtt h PHE 16 Cb 0.48 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.82 2jtt h PHE 16 CO 0.04 0.30 0.00 0.72 -2.02 0.00 0.00 178.31 177.35 2jtt n HIS 17 N -4.82 0.31 -0.06 0.41 8.25 -0.49 -1.75 115.22 117.07 2jtt n HIS 17 Ca 0.01 0.11 -0.12 0.00 -0.26 0.00 0.00 57.72 57.46 2jtt n HIS 17 Cb 0.04 -0.67 -0.06 0.00 1.12 0.00 0.00 29.99 30.41 2jtt n HIS 17 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2jtt h LYS 18 N 0.00 0.31 0.16 -0.41 3.64 -1.58 -2.78 116.57 115.91 2jtt h LYS 18 Ca 0.00 -0.12 -0.31 0.00 -1.27 0.00 0.00 60.65 58.96 2jtt h LYS 18 Cb 0.40 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2jtt h LYS 18 CO 0.00 0.58 -1.44 1.88 -2.27 0.00 0.00 179.45 178.20 2jtt h TYR 19 N 0.02 0.60 0.00 1.91 -1.99 -1.56 -3.15 116.97 112.81 2jtt h TYR 19 Ca 0.04 -0.44 -0.03 0.00 2.00 0.00 0.00 58.73 60.30 2jtt h TYR 19 Cb 0.46 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.16 2jtt h TYR 19 CO 0.05 1.41 -0.14 0.66 -0.00 0.00 0.00 178.16 180.14 2jtt h SER 20 N 0.09 0.00 1.66 3.88 4.64 -1.48 -2.28 113.55 120.06 2jtt h SER 20 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2jtt h SER 20 Cb 2.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 2jtt h SER 20 CO 0.20 0.14 0.00 1.23 -0.87 0.00 0.00 176.83 177.53 2jtt h GLY 21 N 2.06 0.00 0.37 -0.77 0.00 -1.56 -3.31 103.07 99.87 2jtt h GLY 21 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2jtt h GLY 21 CO 0.02 0.00 -0.30 1.70 0.00 0.00 0.00 176.54 177.96 2jtt h LYS 22 N 0.00 0.15 -2.74 4.80 3.64 -1.37 -3.49 116.57 117.56 2jtt h LYS 22 Ca 0.00 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.08 2jtt h LYS 22 Cb 0.83 0.07 -0.20 0.00 -0.41 0.00 0.00 32.23 32.51 2jtt h LYS 22 CO 0.00 1.01 -0.16 -1.21 -2.27 0.00 0.00 179.45 176.83 2jtt s GLU 23 N -2.71 0.74 0.73 1.90 0.41 -1.09 -5.13 118.70 113.55 2jtt s GLU 23 Ca -0.16 0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.43 2jtt s GLU 23 Cb -0.00 0.34 0.00 0.00 -1.78 0.00 0.00 34.13 32.68 2jtt s GLU 23 CO 0.75 -0.20 0.00 0.41 -0.49 0.00 0.00 175.26 175.73 2jtt n GLY 24 N 1.42 -2.09 3.76 -1.39 0.00 -1.26 -4.40 105.19 101.22 2jtt n GLY 24 Ca -0.20 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.76 7.26 0.64 1.61 -1.08 -1.26 -4.91 116.67 115.17 2jtt s ASP 25 Ca 0.00 2.20 0.40 0.00 -0.52 0.00 0.00 52.55 54.63 2jtt s ASP 25 Cb 0.00 -2.62 2.24 0.00 -1.46 0.00 0.00 42.92 41.08 2jtt s ASP 25 CO 0.00 -0.14 2.33 0.50 0.52 0.00 0.00 175.17 178.38 2jtt h LYS 26 N 3.70 0.00 -0.27 4.34 3.64 -1.90 -0.89 116.57 125.20 2jtt h LYS 26 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2jtt h LYS 26 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2jtt h LYS 26 CO 0.66 0.00 0.00 1.58 -2.27 0.00 0.00 179.45 179.43 2jtt n HIS 27 N -3.31 0.35 -4.19 1.91 -0.00 -1.26 -4.79 115.22 103.92 2jtt n HIS 27 Ca -0.03 -0.17 -0.11 0.00 0.46 0.00 0.00 57.72 57.86 2jtt n HIS 27 Cb 0.08 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 29.85 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 -1.65 0.33 -0.02 3.57 -4.23 -0.34 -2.01 115.64 111.29 2jtt s THR 28 Ca 0.31 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 58.91 2jtt s THR 28 Cb 0.17 -2.11 -0.00 0.00 1.34 0.00 0.00 72.50 71.89 2jtt s THR 28 CO 0.24 -0.44 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.00 2jtt s LEU 29 N -3.11 1.93 0.46 4.79 1.43 0.09 -4.46 118.68 119.81 2jtt s LEU 29 Ca 0.25 -0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 52.91 2jtt s LEU 29 Cb 0.07 -0.65 -0.10 0.00 0.03 0.00 0.00 46.19 45.54 2jtt s LEU 29 CO 0.03 0.12 0.99 -0.44 0.23 0.00 0.00 176.35 177.29 2jtt s SER 30 N -0.09 6.66 0.33 2.29 0.01 -1.26 -0.22 113.70 121.42 2jtt s SER 30 Ca 0.01 1.80 0.02 0.00 1.31 0.00 0.00 55.95 59.10 2jtt s SER 30 Cb -0.07 -2.55 0.61 0.00 0.21 0.00 0.00 66.02 64.22 2jtt s SER 30 CO 0.00 -0.56 1.94 0.07 0.41 0.00 0.00 173.24 175.11 2jtt h LYS 31 N 1.75 0.90 0.00 12.44 2.10 -1.54 0.18 116.57 132.41 2jtt h LYS 31 Ca -0.49 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.04 2jtt h LYS 31 Cb 1.20 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 32.32 2jtt h LYS 31 CO 0.60 0.60 -0.28 1.57 -2.00 0.00 0.00 179.45 179.93 2jtt h LYS 32 N 0.93 0.00 0.11 0.07 2.10 -1.93 -2.04 116.57 115.81 2jtt h LYS 32 Ca 0.34 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.73 2jtt h LYS 32 Cb 0.17 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.51 2jtt h LYS 32 CO -0.12 0.28 -1.19 1.49 -2.00 0.00 0.00 179.45 177.92 2jtt h GLU 33 N 0.00 0.31 -0.56 0.07 4.57 -1.10 -2.48 114.58 115.39 2jtt h GLU 33 Ca -0.00 -0.48 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 2jtt h GLU 33 Cb 0.64 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.37 2jtt h GLU 33 CO 0.04 1.20 0.33 1.25 -1.18 0.00 0.00 179.01 180.65 2jtt h LEU 34 N 0.11 0.68 -0.86 1.64 7.12 -0.97 -0.72 115.31 122.31 2jtt h LEU 34 Ca -0.13 -0.07 0.07 0.00 0.13 0.00 0.00 57.88 57.89 2jtt h LEU 34 Cb 1.90 -0.17 -0.07 0.00 -0.53 0.00 0.00 40.66 41.79 2jtt h LEU 34 CO 0.20 0.55 0.52 0.50 -0.13 0.00 0.00 178.44 180.08 2jtt h LYS 35 N 0.75 0.90 -0.09 1.25 3.64 -1.36 -0.53 116.57 121.13 2jtt h LYS 35 Ca 0.20 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2jtt h LYS 35 Cb 0.00 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 2jtt h LYS 35 CO -0.04 0.59 -0.04 0.93 -2.27 0.00 0.00 179.45 178.63 2jtt h GLU 36 N 0.92 -0.03 -0.27 1.90 4.39 -0.94 -0.95 114.58 119.60 2jtt h GLU 36 Ca 0.39 0.00 0.06 0.00 0.34 0.00 0.00 59.36 60.15 2jtt h GLU 36 Cb 0.24 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.83 2jtt h GLU 36 CO -0.20 -0.02 -0.20 1.25 -1.16 0.00 0.00 179.01 178.68 2jtt h LEU 37 N -0.03 -0.65 -0.11 1.33 6.46 -0.60 -1.07 115.31 120.64 2jtt h LEU 37 Ca 0.05 0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2jtt h LEU 37 Cb 0.10 0.32 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 2jtt h LEU 37 CO -0.10 -0.24 0.05 0.40 -0.62 0.00 0.00 178.44 177.93 2jtt h ILE 38 N -0.19 1.13 0.00 4.05 2.04 -0.90 0.18 117.51 123.82 2jtt h ILE 38 Ca 0.15 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 2jtt h ILE 38 Cb 0.41 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2jtt h ILE 38 CO -0.38 0.11 -0.27 1.56 0.00 0.00 0.00 178.15 179.17 2jtt h GLN 39 N 0.05 0.00 0.00 2.37 4.20 -1.01 -1.73 115.11 118.99 2jtt h GLN 39 Ca 0.04 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 2jtt h GLN 39 Cb 0.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2jtt h GLN 39 CO -0.00 0.27 -0.59 0.87 -0.67 0.00 0.00 178.83 178.71 2jtt h LYS 40 N 0.00 0.00 -0.03 1.46 1.79 -1.06 -3.29 116.57 115.44 2jtt h LYS 40 Ca -0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 2jtt h LYS 40 Cb 0.59 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.25 2jtt h LYS 40 CO 0.04 0.71 -0.75 0.93 -1.08 0.00 0.00 179.45 179.29 2jtt h GLU 41 N -1.00 0.56 0.00 3.15 4.39 -0.67 -3.38 114.58 117.63 2jtt h GLU 41 Ca -0.14 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 58.99 2jtt h GLU 41 Cb 0.91 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2jtt h GLU 41 CO -0.09 1.19 0.00 1.28 -1.16 0.00 0.00 179.01 180.23 2jtt n LEU 42 N -4.07 1.49 0.00 1.33 4.77 -0.67 -5.08 117.00 114.77 2jtt n LEU 42 Ca -0.10 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2jtt n LEU 42 Cb 0.74 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2jtt n LEU 42 CO 0.50 -0.19 0.00 1.07 -1.33 0.00 0.00 177.39 177.45 2jtt n THR 43 N -1.23 0.00 -3.56 -5.08 5.66 -1.10 -5.04 114.28 103.93 2jtt n THR 43 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 2jtt n THR 43 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 2jtt n THR 43 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2jtt s ILE 44 N -2.20 0.00 0.00 1.09 1.10 -1.26 -4.31 121.20 115.62 2jtt s ILE 44 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 2jtt s ILE 44 Cb 0.00 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.61 2jtt s ILE 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.44 2jtt n GLY 45 N 1.33 -1.32 2.18 1.50 0.00 -1.26 -4.92 105.19 102.70 2jtt n GLY 45 Ca -0.15 -1.58 -0.18 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.36 5.56 0.00 1.61 7.64 -1.26 -4.70 113.62 121.11 2jtt n SER 46 Ca 0.00 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.48 2jtt n SER 46 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 2jtt n SER 46 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2jtt n LYS 47 N 2.97 0.00 0.12 1.43 3.00 -1.26 -4.75 118.16 119.67 2jtt n LYS 47 Ca 0.48 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.86 2jtt n LYS 47 Cb 0.60 -1.22 0.55 0.00 0.00 0.00 0.00 35.03 34.95 2jtt n LYS 47 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 2jtt h LEU 48 N 0.00 0.22 -0.62 3.14 -0.00 -2.01 -1.50 115.31 114.53 2jtt h LEU 48 Ca 0.00 -0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.81 2jtt h LEU 48 Cb 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 2jtt h LEU 48 CO 0.00 0.15 -0.31 -0.61 -0.00 0.00 0.00 178.44 177.67 2jtt h GLN 49 N 0.25 0.00 0.00 0.17 4.15 -1.88 -3.28 115.11 114.52 2jtt h GLN 49 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2jtt h GLN 49 Cb 0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.73 2jtt h GLN 49 CO -0.02 0.31 0.00 0.22 -1.93 0.00 0.00 178.83 177.42 2jtt h ASP 50 N 0.00 0.00 0.14 -0.69 3.58 -1.63 -1.28 116.42 116.54 2jtt h ASP 50 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2jtt h ASP 50 Cb 1.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.05 2jtt h ASP 50 CO 0.04 0.00 -0.08 0.00 -2.88 0.00 0.00 179.24 176.32 2jtt h ALA 51 N 2.11 1.61 0.24 -0.78 0.00 -1.68 0.27 119.26 121.03 2jtt h ALA 51 Ca 0.00 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.51 2jtt h ALA 51 Cb 0.32 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.13 2jtt h ALA 51 CO 0.00 0.10 -1.44 0.93 0.00 0.00 0.00 179.25 178.84 2jtt h GLU 52 N 0.00 0.51 0.00 0.00 3.07 -1.49 -3.34 114.58 113.33 2jtt h GLU 52 Ca -0.00 -0.87 -0.11 0.00 -0.50 0.00 0.00 59.36 57.88 2jtt h GLU 52 Cb 0.17 0.32 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 2jtt h GLU 52 CO 0.01 1.42 -0.52 0.82 -1.40 0.00 0.00 179.01 179.34 2jtt h ILE 53 N 0.08 1.21 -0.39 3.13 1.08 -1.29 -2.04 117.51 119.30 2jtt h ILE 53 Ca -0.25 -1.87 -0.09 0.00 -0.39 0.00 0.00 64.86 62.26 2jtt h ILE 53 Cb 2.11 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 37.90 2jtt h ILE 53 CO 0.26 0.51 -0.11 -0.37 -0.69 0.00 0.00 178.15 177.74 2jtt h VAL 54 N 0.00 1.25 -0.28 1.67 -1.51 -0.67 0.12 116.25 116.83 2jtt h VAL 54 Ca -0.01 -1.12 -0.08 0.00 -1.23 0.00 0.00 66.70 64.26 2jtt h VAL 54 Cb 1.01 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 2jtt h VAL 54 CO 0.07 0.38 -0.15 0.50 -1.23 0.00 0.00 177.57 177.13 2jtt h LYS 55 N 0.62 0.60 -0.83 5.19 1.63 -1.60 -1.74 116.57 120.44 2jtt h LYS 55 Ca 0.11 -0.27 -0.02 0.00 -0.85 0.00 0.00 60.65 59.61 2jtt h LYS 55 Cb 0.55 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.13 2jtt h LYS 55 CO 0.03 0.85 0.42 1.25 -3.45 0.00 0.00 179.45 178.56 2jtt h LEU 56 N 0.34 1.07 -0.84 5.20 6.46 -1.31 -0.93 115.31 125.31 2jtt h LEU 56 Ca 0.06 -0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.74 2jtt h LEU 56 Cb 0.68 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 40.29 2jtt h LEU 56 CO 0.05 0.88 0.54 -0.03 -0.62 0.00 0.00 178.44 179.25 2jtt h MET 57 N 1.17 1.01 0.00 1.25 4.05 -0.72 -1.35 114.93 120.33 2jtt h MET 57 Ca 0.29 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.53 2jtt h MET 57 Cb 0.08 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 2jtt h MET 57 CO -0.04 0.67 -0.57 0.22 0.23 0.00 0.00 176.91 177.42 2jtt h ASP 58 N 1.04 0.00 0.99 1.39 3.58 -0.79 0.50 116.42 123.13 2jtt h ASP 58 Ca 0.34 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.72 2jtt h ASP 58 Cb 0.02 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2jtt h ASP 58 CO -0.12 0.57 -0.31 0.44 -2.88 0.00 0.00 179.24 176.94 2jtt h ASP 59 N 0.00 0.00 0.14 2.28 3.32 -0.83 -2.50 116.42 118.82 2jtt h ASP 59 Ca -0.01 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 2jtt h ASP 59 Cb 1.05 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.62 2jtt h ASP 59 CO 0.07 0.31 -0.84 -0.07 -1.72 0.00 0.00 179.24 176.99 2jtt h LEU 60 N 0.00 0.45 -1.35 1.55 3.38 -0.99 -3.33 115.31 115.03 2jtt h LEU 60 Ca -0.00 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.02 2jtt h LEU 60 Cb 0.89 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2jtt h LEU 60 CO 0.04 1.40 0.00 -0.67 0.09 0.00 0.00 178.44 179.30 2jtt n ASP 61 N -4.12 0.58 0.22 -0.43 2.03 0.14 -2.38 116.55 112.59 2jtt n ASP 61 Ca -0.15 0.75 0.15 0.00 0.52 0.00 0.00 54.79 56.07 2jtt n ASP 61 Cb 0.82 -0.83 0.62 0.00 -0.72 0.00 0.00 41.12 41.01 2jtt n ASP 61 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2jtt h ARG 62 N 0.00 0.00 -0.85 -0.67 2.43 -1.55 -1.59 114.38 112.14 2jtt h ARG 62 Ca 0.00 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.36 2jtt h ARG 62 Cb 0.04 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.48 2jtt h ARG 62 CO 0.00 0.00 0.34 -0.97 -1.51 0.00 0.00 179.97 177.83 2jtt h ASN 63 N 0.00 0.27 0.00 -3.80 -1.24 -1.72 -3.47 115.58 105.63 2jtt h ASN 63 Ca 0.10 0.14 0.00 0.00 0.71 0.00 0.00 56.30 57.25 2jtt h ASN 63 Cb 1.22 0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.41 2jtt h ASN 63 CO -0.00 0.02 0.00 1.17 -1.29 0.00 0.00 177.43 177.33 2jtt n LYS 64 N -5.05 0.00 0.00 6.67 4.81 -0.60 -5.01 118.16 118.98 2jtt n LYS 64 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 2jtt n LYS 64 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 2jtt n LYS 64 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2jtt n ASP 65 N 0.00 0.71 0.00 3.14 2.03 -1.25 -4.94 116.55 116.24 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 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -2.02 -0.08 -3.96 -0.67 6.02 -1.26 -5.05 117.38 110.35 2jtt n GLN 66 Ca 0.00 -0.08 -0.09 0.00 -0.01 0.00 0.00 57.00 56.82 2jtt n GLN 66 Cb 0.13 -0.55 -0.11 0.00 1.02 0.00 0.00 30.24 30.73 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 -0.00 0.38 -0.08 -1.09 1.03 -1.26 -1.28 118.70 116.39 2jtt s GLU 67 Ca 0.00 -0.61 -0.01 0.00 0.03 0.00 0.00 54.97 54.38 2jtt s GLU 67 Cb 0.00 0.14 -0.03 0.00 -0.80 0.00 0.00 34.13 33.44 2jtt s GLU 67 CO 0.00 -0.07 -0.01 0.08 -1.33 0.00 0.00 175.26 173.93 2jtt s VAL 68 N -1.64 4.21 0.16 1.83 1.01 0.69 -3.75 120.40 122.91 2jtt s VAL 68 Ca -0.14 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.61 2jtt s VAL 68 Cb -0.08 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2jtt s VAL 68 CO -0.01 0.60 0.07 0.21 0.00 0.00 0.00 175.10 175.97 2jtt s ASN 69 N -0.87 5.20 0.17 3.32 2.47 -1.26 -0.73 114.94 123.24 2jtt s ASN 69 Ca 0.13 -0.23 -0.16 0.00 0.42 0.00 0.00 52.86 53.03 2jtt s ASN 69 Cb -0.11 -1.26 0.12 0.00 -1.45 0.00 0.00 41.25 38.54 2jtt s ASN 69 CO 0.02 0.09 1.69 0.15 -3.72 0.00 0.00 177.10 175.33 2jtt h PHE 70 N 2.66 -0.08 -0.80 0.43 3.57 -1.79 -0.53 116.94 120.40 2jtt h PHE 70 Ca -0.47 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.02 2jtt h PHE 70 Cb 1.20 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 40.00 2jtt h PHE 70 CO 0.60 -0.11 0.33 0.37 -2.23 0.00 0.00 178.31 177.27 2jtt h GLN 71 N 0.07 1.19 -0.01 1.11 4.15 -1.97 -2.52 115.11 117.13 2jtt h GLN 71 Ca 0.20 -0.21 -0.17 0.00 0.77 0.00 0.00 58.65 59.25 2jtt h GLN 71 Cb 0.30 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2jtt h GLN 71 CO -0.36 0.96 -0.76 0.93 -1.93 0.00 0.00 178.83 177.66 2jtt h GLU 72 N 1.17 0.12 -0.44 1.69 3.07 -1.81 0.02 114.58 118.39 2jtt h GLU 72 Ca 0.27 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 2jtt h GLU 72 Cb 0.20 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 2jtt h GLU 72 CO -0.02 0.82 0.22 -0.92 -1.40 0.00 0.00 179.01 177.71 2jtt h TYR 73 N 0.08 0.62 -0.28 4.33 3.20 -0.99 -0.35 116.97 123.58 2jtt h TYR 73 Ca -0.02 -0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.66 2jtt h TYR 73 Cb 1.34 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 2jtt h TYR 73 CO 0.02 0.50 -0.48 0.82 -1.64 0.00 0.00 178.16 177.37 2jtt h ILE 74 N 0.57 1.29 -0.65 1.81 2.04 -1.24 -1.19 117.51 120.14 2jtt h ILE 74 Ca 0.15 -1.68 0.04 0.00 1.00 0.00 0.00 64.86 64.37 2jtt h ILE 74 Cb 0.10 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 2jtt h ILE 74 CO -0.02 0.54 0.39 0.74 0.00 0.00 0.00 178.15 179.80 2jtt h THR 75 N 0.59 1.04 -0.47 -0.27 2.02 -0.92 -0.84 112.91 114.05 2jtt h THR 75 Ca 0.03 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 66.87 2jtt h THR 75 Cb 1.05 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2jtt h THR 75 CO 0.10 0.14 -0.04 0.15 0.37 0.00 0.00 175.52 176.24 2jtt h PHE 76 N 0.74 0.85 0.00 3.16 3.04 -0.90 -1.57 116.94 122.27 2jtt h PHE 76 Ca 0.27 -0.13 -0.02 0.00 3.98 0.00 0.00 57.97 62.07 2jtt h PHE 76 Cb 0.09 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.36 2jtt h PHE 76 CO -0.06 0.81 -0.10 -0.07 -2.02 0.00 0.00 178.31 176.87 2jtt h LEU 77 N 0.73 0.00 -0.69 0.59 3.38 -0.61 0.66 115.31 119.38 2jtt h LEU 77 Ca 0.14 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 2jtt h LEU 77 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2jtt h LEU 77 CO 0.03 0.10 -0.39 1.23 0.09 0.00 0.00 178.44 179.50 2jtt h GLY 78 N 0.49 0.61 0.99 0.83 0.00 -0.23 0.40 103.07 106.16 2jtt h GLY 78 Ca -0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.62 2jtt h GLY 78 CO 0.01 0.54 -0.20 0.00 0.00 0.00 0.00 176.54 176.89 2jtt h ALA 79 N 1.11 0.51 -0.59 3.60 0.00 -0.55 -1.16 119.26 122.18 2jtt h ALA 79 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2jtt h ALA 79 Cb 0.88 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2jtt h ALA 79 CO 0.08 0.46 0.37 1.25 0.00 0.00 0.00 179.25 181.41 2jtt h LEU 80 N 0.55 0.69 -1.43 0.00 5.85 -0.81 -0.04 115.31 120.12 2jtt h LEU 80 Ca 0.08 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2jtt h LEU 80 Cb 0.75 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2jtt h LEU 80 CO 0.06 0.52 0.02 0.00 -0.34 0.00 0.00 178.44 178.70 2jtt h ALA 81 N 1.20 1.55 -0.40 1.25 0.00 -0.89 -1.57 119.26 120.39 2jtt h ALA 81 Ca 0.21 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2jtt h ALA 81 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2jtt h ALA 81 CO -0.04 0.33 -0.30 1.98 0.00 0.00 0.00 179.25 181.22 2jtt h MET 82 N 0.38 0.88 -0.50 0.00 1.85 -0.43 -2.97 114.93 114.15 2jtt h MET 82 Ca 0.09 -0.41 -0.01 0.00 -0.61 0.00 0.00 59.70 58.76 2jtt h MET 82 Cb 0.23 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.22 2jtt h MET 82 CO 0.00 1.06 0.27 0.82 -0.40 0.00 0.00 176.91 178.67 2jtt h ILE 83 N 0.74 1.15 0.00 1.77 5.03 -0.50 -2.75 117.51 122.95 2jtt h ILE 83 Ca 0.08 -0.38 -0.03 0.00 -0.12 0.00 0.00 64.86 64.42 2jtt h ILE 83 Cb 0.86 0.48 -0.01 0.00 -3.03 0.00 0.00 36.82 35.12 2jtt h ILE 83 CO 0.08 0.17 0.00 -1.22 -0.68 0.00 0.00 178.15 176.50 2jtt n TYR 84 N -4.41 0.00 0.05 1.37 4.01 -0.64 -4.71 117.16 112.82 2jtt n TYR 84 Ca 0.04 -0.61 0.22 0.00 -0.16 0.00 0.00 57.90 57.39 2jtt n TYR 84 Cb 0.09 -0.55 0.73 0.00 -0.31 0.00 0.00 39.34 39.30 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 2.84 0.00 -0.77 7.72 7.08 -1.64 -2.21 115.58 128.61 2jtt h ASN 85 Ca 0.03 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.24 2jtt h ASN 85 Cb 0.61 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.82 2jtt h ASN 85 CO 0.09 0.00 0.48 -0.08 -2.08 0.00 0.00 177.43 175.83 2jtt h GLU 86 N 0.00 1.04 0.00 4.14 4.81 -1.89 -1.64 114.58 121.03 2jtt h GLU 86 Ca 0.23 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2jtt h GLU 86 Cb 1.23 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2jtt h GLU 86 CO -0.00 0.72 0.00 0.00 -0.73 0.00 0.00 179.01 178.99 2jtt n ALA 87 N -2.42 1.74 0.14 2.92 0.00 -0.83 -1.27 120.51 120.79 2jtt n ALA 87 Ca 0.08 0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.70 2jtt n ALA 87 Cb 0.06 -1.41 0.21 0.00 0.00 0.00 0.00 19.45 18.31 2jtt n ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jtt n LEU 88 N -2.28 3.33 -0.06 0.00 4.77 -0.68 -4.41 117.00 117.66 2jtt n LEU 88 Ca 0.02 -1.61 -0.08 0.00 -0.03 0.00 0.00 56.01 54.32 2jtt n LEU 88 Cb 0.26 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2jtt n LEU 88 CO 0.21 0.75 -0.90 0.29 -1.33 0.00 0.00 177.39 176.42 2jtt n LYS 89 N 1.30 0.58 -0.70 3.23 5.02 -0.77 -5.08 118.16 121.73 2jtt n LYS 89 Ca 0.18 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 2jtt n LYS 89 Cb 0.55 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 2jtt n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29