#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 -0.35 -5.12 0.00 -1.26 -4.91 120.51 108.87 2jtt n ALA 2 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2jtt n ALA 2 Cb 0.00 -0.09 0.10 0.00 0.00 0.00 0.00 19.45 19.46 2jtt n ALA 2 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2jtt h SER 3 N 0.00 -1.06 0.07 0.00 0.02 -2.05 -0.32 113.55 110.20 2jtt h SER 3 Ca 0.00 0.29 -0.13 0.00 -0.84 0.00 0.00 61.79 61.11 2jtt h SER 3 Cb 0.00 0.64 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2jtt h SER 3 CO 0.00 -0.31 -0.42 1.55 -1.14 0.00 0.00 176.83 176.51 2jtt h PRO 4 N -0.01 0.45 -0.00 3.45 0.13 -2.00 -1.62 132.00 132.40 2jtt h PRO 4 Ca 0.42 -0.23 -0.26 0.00 -0.87 0.00 0.00 66.00 65.06 2jtt h PRO 4 Cb 0.66 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.81 2jtt h PRO 4 CO -0.97 0.79 -1.03 1.25 -0.23 0.00 0.00 178.00 177.81 2jtt h LEU 5 N 0.37 0.87 -0.75 1.56 5.85 -1.80 -3.12 115.31 118.29 2jtt h LEU 5 Ca 0.03 -0.70 -0.08 0.00 0.84 0.00 0.00 57.88 57.97 2jtt h LEU 5 Cb 0.89 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2jtt h LEU 5 CO 0.08 1.50 0.02 0.44 -0.34 0.00 0.00 178.44 180.14 2jtt h ASP 6 N 0.38 0.94 0.39 1.25 5.19 -0.90 -0.38 116.42 123.29 2jtt h ASP 6 Ca -0.12 -0.25 -0.11 0.00 -0.62 0.00 0.00 57.03 55.93 2jtt h ASP 6 Cb 1.68 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.92 2jtt h ASP 6 CO 0.20 0.99 -0.47 0.06 -3.12 0.00 0.00 179.24 176.90 2jtt h GLN 7 N 0.90 0.10 -0.20 3.56 3.07 -1.42 -1.57 115.11 119.54 2jtt h GLN 7 Ca 0.17 -0.05 -0.08 0.00 0.09 0.00 0.00 58.65 58.78 2jtt h GLN 7 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.05 2jtt h GLN 7 CO 0.02 0.55 -0.20 0.00 0.09 0.00 0.00 178.83 179.30 2jtt h ALA 8 N 1.44 0.30 -0.03 0.06 0.00 -1.24 -0.81 119.26 118.98 2jtt h ALA 8 Ca 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2jtt h ALA 8 Cb 0.86 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2jtt h ALA 8 CO 0.07 0.22 -0.14 -0.84 0.00 0.00 0.00 179.25 178.56 2jtt h ILE 9 N 0.16 1.12 -0.28 0.00 3.07 -1.13 -2.28 117.51 118.17 2jtt h ILE 9 Ca 0.03 -0.56 -0.05 0.00 1.55 0.00 0.00 64.86 65.83 2jtt h ILE 9 Cb 0.74 1.25 -0.02 0.00 -0.27 0.00 0.00 36.82 38.53 2jtt h ILE 9 CO 0.05 0.17 -0.04 1.23 -1.05 0.00 0.00 178.15 178.51 2jtt h GLY 10 N 0.51 0.47 0.96 0.16 0.00 -0.91 -1.42 103.07 102.84 2jtt h GLY 10 Ca 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2jtt h GLY 10 CO 0.02 0.26 -0.14 -2.00 0.00 0.00 0.00 176.54 174.68 2jtt h LEU 11 N 0.42 -0.33 -1.05 3.11 7.12 -0.56 -1.06 115.31 122.95 2jtt h LEU 11 Ca 0.09 -0.02 0.05 0.00 0.13 0.00 0.00 57.88 58.13 2jtt h LEU 11 Cb 0.34 0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.49 2jtt h LEU 11 CO 0.01 -0.20 0.63 -0.07 -0.13 0.00 0.00 178.44 178.69 2jtt h LEU 12 N -0.44 1.03 0.20 2.25 4.07 -1.38 0.15 115.31 121.19 2jtt h LEU 12 Ca -0.04 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 2jtt h LEU 12 Cb 0.33 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.85 2jtt h LEU 12 CO 0.07 0.68 -0.10 0.40 -1.08 0.00 0.00 178.44 178.41 2jtt h ILE 13 N 1.18 0.84 -0.08 1.22 2.04 -1.10 -2.42 117.51 119.20 2jtt h ILE 13 Ca 0.40 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.98 2jtt h ILE 13 Cb 0.09 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2jtt h ILE 13 CO -0.14 0.04 -0.46 1.23 0.00 0.00 0.00 178.15 178.83 2jtt h GLY 14 N -0.35 0.20 1.34 5.37 0.00 -0.80 -0.25 103.07 108.57 2jtt h GLY 14 Ca -0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 2jtt h GLY 14 CO 0.05 0.18 -0.27 -2.22 0.00 0.00 0.00 176.54 174.28 2jtt h ILE 15 N 0.15 1.28 0.00 2.60 2.04 -1.01 -3.22 117.51 119.35 2jtt h ILE 15 Ca 0.01 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.47 2jtt h ILE 15 Cb 0.87 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2jtt h ILE 15 CO 0.07 0.46 -0.01 0.15 0.00 0.00 0.00 178.15 178.81 2jtt h PHE 16 N 0.65 0.00 0.00 1.37 3.04 -1.14 -3.39 116.94 117.47 2jtt h PHE 16 Ca 0.08 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.97 2jtt h PHE 16 Cb 0.78 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 2jtt h PHE 16 CO 0.04 0.92 -0.28 1.25 -2.02 0.00 0.00 178.31 178.22 2jtt h HIS 17 N -1.00 0.00 -0.26 0.41 2.76 -1.18 -2.06 115.15 113.82 2jtt h HIS 17 Ca -0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 2jtt h HIS 17 Cb 0.92 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.87 2jtt h HIS 17 CO 0.25 0.28 0.02 1.57 -1.30 0.00 0.00 177.93 178.75 2jtt h LYS 18 N 0.00 0.38 0.19 5.26 2.10 -1.75 -1.92 116.57 120.83 2jtt h LYS 18 Ca -0.00 -0.06 -0.31 0.00 -2.00 0.00 0.00 60.65 58.27 2jtt h LYS 18 Cb 0.64 -0.06 0.02 0.00 -0.90 0.00 0.00 32.23 31.92 2jtt h LYS 18 CO 0.04 0.40 -1.39 1.88 -2.00 0.00 0.00 179.45 178.37 2jtt h TYR 19 N 0.37 0.74 -0.75 0.07 0.05 -1.58 -3.35 116.97 112.52 2jtt h TYR 19 Ca 0.09 -0.54 0.07 0.00 0.05 0.00 0.00 58.73 58.40 2jtt h TYR 19 Cb 0.23 -0.03 -0.06 0.00 1.01 0.00 0.00 36.73 37.88 2jtt h TYR 19 CO 0.01 1.44 0.43 0.77 -1.05 0.00 0.00 178.16 179.75 2jtt h SER 20 N 0.11 0.64 0.30 3.88 0.02 -1.08 -2.71 113.55 114.71 2jtt h SER 20 Ca -0.21 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2jtt h SER 20 Cb 2.08 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.52 2jtt h SER 20 CO 0.24 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.94 2jtt n GLY 21 N -1.30 -0.80 0.12 -3.77 0.00 -0.75 -0.91 105.19 97.78 2jtt n GLY 21 Ca 0.10 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.32 0.00 1.61 3.64 -1.64 -3.45 116.57 117.05 2jtt h LYS 22 Ca 0.00 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2jtt h LYS 22 Cb 0.15 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2jtt h LYS 22 CO 0.00 1.18 0.00 0.39 -2.27 0.00 0.00 179.45 178.75 2jtt n GLU 23 N -4.19 0.00 -0.53 1.90 1.02 -1.20 -5.15 120.64 112.49 2jtt n GLU 23 Ca -0.12 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.97 2jtt n GLU 23 Cb 0.75 -0.12 0.03 0.00 -0.02 0.00 0.00 31.44 32.08 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 0.00 -0.50 0.00 0.62 0.00 -0.09 -4.96 105.19 100.26 2jtt n GLY 24 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2jtt n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jtt n ASP 25 N -3.08 0.00 0.09 1.61 2.03 -1.26 -4.87 116.55 111.06 2jtt n ASP 25 Ca 0.03 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.22 2jtt n ASP 25 Cb 0.09 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.44 2jtt n ASP 25 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2jtt h LYS 26 N 0.00 -0.29 -0.29 -0.67 3.64 -2.00 -3.41 116.57 113.55 2jtt h LYS 26 Ca 0.00 0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.14 2jtt h LYS 26 Cb 0.00 0.07 -0.22 0.00 -0.41 0.00 0.00 32.23 31.66 2jtt h LYS 26 CO 0.00 -0.20 -0.60 -2.39 -2.27 0.00 0.00 179.45 174.00 2jtt n HIS 27 N -5.29 -1.37 -4.44 1.91 1.44 -1.26 -4.87 115.22 101.34 2jtt n HIS 27 Ca -0.06 -2.15 -0.22 0.00 -2.01 0.00 0.00 57.72 53.27 2jtt n HIS 27 Cb 0.20 1.02 -0.10 0.00 0.12 0.00 0.00 29.99 31.23 2jtt n HIS 27 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 2jtt s THR 28 N -0.81 1.98 -0.02 0.61 -4.23 -1.26 -2.25 115.64 109.65 2jtt s THR 28 Ca 0.23 -2.23 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2jtt s THR 28 Cb 0.42 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.89 2jtt s THR 28 CO -0.06 -0.37 -0.14 -0.76 -0.54 0.00 0.00 174.62 172.75 2jtt s LEU 29 N -3.46 1.93 0.75 4.79 1.43 -0.24 -4.32 118.68 119.56 2jtt s LEU 29 Ca 0.29 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 2jtt s LEU 29 Cb 0.00 -0.78 0.04 0.00 0.03 0.00 0.00 46.19 45.48 2jtt s LEU 29 CO 0.12 0.15 1.10 -0.94 0.23 0.00 0.00 176.35 177.01 2jtt s SER 30 N -0.10 5.03 0.40 2.29 1.04 -1.26 0.18 113.70 121.28 2jtt s SER 30 Ca 0.01 1.22 0.10 0.00 0.48 0.00 0.00 55.95 57.75 2jtt s SER 30 Cb -0.08 -1.99 0.88 0.00 0.10 0.00 0.00 66.02 64.93 2jtt s SER 30 CO 0.01 -1.61 1.97 0.11 0.98 0.00 0.00 173.24 174.69 2jtt h LYS 31 N -0.84 0.57 -0.25 4.02 1.57 -1.98 0.12 116.57 119.78 2jtt h LYS 31 Ca -0.46 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.19 2jtt h LYS 31 Cb 1.26 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 2jtt h LYS 31 CO 0.62 0.38 -0.24 -0.22 -0.57 0.00 0.00 179.45 179.42 2jtt h LYS 32 N 0.59 0.61 -0.27 3.15 3.64 -1.97 -1.18 116.57 121.13 2jtt h LYS 32 Ca 0.30 -0.32 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2jtt h LYS 32 Cb 0.41 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2jtt h LYS 32 CO -0.10 0.91 -0.28 1.49 -2.27 0.00 0.00 179.45 179.20 2jtt h GLU 33 N 0.33 0.55 -0.43 1.90 4.57 -1.64 -0.93 114.58 118.93 2jtt h GLU 33 Ca 0.04 -0.23 -0.15 0.00 -1.18 0.00 0.00 59.36 57.85 2jtt h GLU 33 Cb 0.79 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 2jtt h GLU 33 CO 0.06 0.78 -0.30 1.25 -1.18 0.00 0.00 179.01 179.62 2jtt h LEU 34 N 0.48 1.00 -0.44 1.64 7.12 -0.86 -1.27 115.31 122.98 2jtt h LEU 34 Ca 0.06 -0.43 0.04 0.00 0.13 0.00 0.00 57.88 57.68 2jtt h LEU 34 Cb 0.74 -0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 40.55 2jtt h LEU 34 CO 0.06 1.22 0.20 0.50 -0.13 0.00 0.00 178.44 180.29 2jtt h LYS 35 N 0.79 0.40 -0.66 1.25 3.64 -0.93 0.07 116.57 121.13 2jtt h LYS 35 Ca 0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2jtt h LYS 35 Cb 0.89 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 2jtt h LYS 35 CO 0.08 0.26 0.43 0.93 -2.27 0.00 0.00 179.45 178.89 2jtt h GLU 36 N 0.41 0.87 0.22 1.90 4.39 -1.03 -1.13 114.58 120.21 2jtt h GLU 36 Ca 0.19 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 2jtt h GLU 36 Cb 0.12 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2jtt h GLU 36 CO -0.15 0.58 -0.10 1.25 -1.16 0.00 0.00 179.01 179.43 2jtt h LEU 37 N 0.90 -0.25 -0.40 1.33 6.46 -0.74 -3.24 115.31 119.37 2jtt h LEU 37 Ca 0.24 -0.16 0.04 0.00 -0.12 0.00 0.00 57.88 57.88 2jtt h LEU 37 Cb -0.09 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 2jtt h LEU 37 CO -0.05 0.02 0.18 0.40 -0.62 0.00 0.00 178.44 178.36 2jtt h ILE 38 N -0.52 0.93 -0.38 4.05 2.04 -0.45 0.26 117.51 123.44 2jtt h ILE 38 Ca -0.03 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2jtt h ILE 38 Cb 0.39 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2jtt h ILE 38 CO 0.05 0.07 0.14 1.56 0.00 0.00 0.00 178.15 179.96 2jtt h GLN 39 N 0.36 0.54 0.01 2.37 4.20 -1.33 -0.94 115.11 120.33 2jtt h GLN 39 Ca 0.18 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.62 2jtt h GLN 39 Cb 0.12 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2jtt h GLN 39 CO -0.15 0.46 -1.03 0.87 -0.67 0.00 0.00 178.83 178.31 2jtt h LYS 40 N 0.54 0.02 0.00 1.46 6.56 -1.51 -2.51 116.57 121.13 2jtt h LYS 40 Ca 0.13 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 2jtt h LYS 40 Cb 0.13 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 2jtt h LYS 40 CO -0.01 1.02 -0.49 0.39 -2.06 0.00 0.00 179.45 178.29 2jtt n GLU 41 N -4.41 0.25 -2.20 3.15 -0.58 0.89 -2.88 120.64 114.85 2jtt n GLU 41 Ca -0.27 0.10 -0.25 0.00 -0.42 0.00 0.00 57.16 56.31 2jtt n GLU 41 Cb 0.66 -1.68 0.01 0.00 -0.57 0.00 0.00 31.44 29.86 2jtt n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2jtt n LEU 42 N -2.06 4.82 0.00 -4.62 4.77 -0.36 -5.01 117.00 114.54 2jtt n LEU 42 Ca 0.04 -4.92 0.00 0.00 -0.03 0.00 0.00 56.01 51.10 2jtt n LEU 42 Cb 0.43 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2jtt n LEU 42 CO 0.35 2.15 0.00 0.41 -1.33 0.00 0.00 177.39 178.97 2jtt n THR 43 N -0.62 0.00 -0.08 -5.08 -1.04 -1.14 -4.82 114.28 101.50 2jtt n THR 43 Ca 0.42 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 62.22 2jtt n THR 43 Cb 0.85 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 69.24 2jtt n THR 43 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2jtt n ILE 44 N 0.00 1.60 -0.98 12.58 5.41 -0.94 -5.02 119.36 132.01 2jtt n ILE 44 Ca 0.00 -0.55 0.00 0.00 1.00 0.00 0.00 62.75 63.20 2jtt n ILE 44 Cb 0.00 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.32 2jtt n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jtt n GLY 45 N 2.02 0.47 3.51 7.39 0.00 -1.26 -4.97 105.19 112.36 2jtt n GLY 45 Ca -0.41 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.15 -0.34 0.00 1.61 0.15 -1.26 -5.04 113.70 106.66 2jtt s SER 46 Ca 0.00 -0.01 0.21 0.00 0.70 0.00 0.00 55.95 56.85 2jtt s SER 46 Cb 0.00 0.37 0.54 0.00 -1.71 0.00 0.00 66.02 65.22 2jtt s SER 46 CO 0.00 -0.60 1.45 0.29 1.20 0.00 0.00 173.24 175.58 2jtt n LYS 47 N -0.24 2.20 -0.35 5.44 4.01 -1.26 -4.56 118.16 123.41 2jtt n LYS 47 Ca -0.08 -1.83 0.12 0.00 -0.51 0.00 0.00 58.31 56.01 2jtt n LYS 47 Cb 0.61 -1.45 0.31 0.00 -0.51 0.00 0.00 35.03 33.99 2jtt n LYS 47 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2jtt h LEU 48 N 3.43 0.80 -1.36 -0.35 6.46 -1.97 -1.52 115.31 120.80 2jtt h LEU 48 Ca 0.00 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2jtt h LEU 48 Cb 0.76 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 2jtt h LEU 48 CO 0.00 0.33 0.00 0.00 -0.62 0.00 0.00 178.44 178.15 2jtt n GLN 49 N -4.71 1.92 0.27 1.25 6.02 -1.26 -4.61 117.38 116.25 2jtt n GLN 49 Ca 0.22 -1.35 0.12 0.00 -0.01 0.00 0.00 57.00 55.98 2jtt n GLN 49 Cb 0.52 -1.45 0.75 0.00 1.02 0.00 0.00 30.24 31.08 2jtt n GLN 49 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2jtt h ASP 50 N 3.00 0.00 0.51 1.08 3.58 -1.57 0.16 116.42 123.17 2jtt h ASP 50 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2jtt h ASP 50 Cb 0.65 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 2jtt h ASP 50 CO 0.00 0.08 -0.21 0.00 -2.88 0.00 0.00 179.24 176.23 2jtt h ALA 51 N 1.92 1.24 0.20 -0.78 0.00 -1.81 0.19 119.26 120.22 2jtt h ALA 51 Ca -0.00 -0.19 -0.32 0.00 0.00 0.00 0.00 54.91 54.40 2jtt h ALA 51 Cb 0.19 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.96 2jtt h ALA 51 CO 0.01 0.27 -1.44 0.93 0.00 0.00 0.00 179.25 179.02 2jtt h GLU 52 N 0.00 0.43 -0.69 0.00 5.08 -1.09 -3.31 114.58 115.00 2jtt h GLU 52 Ca -0.00 -0.73 -0.01 0.00 -1.00 0.00 0.00 59.36 57.61 2jtt h GLU 52 Cb 0.52 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2jtt h GLU 52 CO 0.03 1.34 0.37 0.82 -1.00 0.00 0.00 179.01 180.58 2jtt h ILE 53 N 0.12 1.21 0.00 3.13 1.08 -0.74 -1.74 117.51 120.57 2jtt h ILE 53 Ca -0.23 -0.54 -0.04 0.00 -0.39 0.00 0.00 64.86 63.66 2jtt h ILE 53 Cb 2.10 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 36.16 2jtt h ILE 53 CO 0.24 0.24 -0.18 -0.37 -0.69 0.00 0.00 178.15 177.39 2jtt h VAL 54 N 0.95 0.94 -0.02 1.67 -1.51 -1.11 0.23 116.25 117.40 2jtt h VAL 54 Ca 0.24 -0.64 -0.17 0.00 -1.23 0.00 0.00 66.70 64.90 2jtt h VAL 54 Cb 0.04 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 30.55 2jtt h VAL 54 CO -0.04 0.17 -0.76 0.50 -1.23 0.00 0.00 177.57 176.21 2jtt h LYS 55 N 0.00 0.14 -0.19 5.19 1.63 -1.54 -1.99 116.57 119.81 2jtt h LYS 55 Ca -0.00 -0.13 -0.16 0.00 -0.85 0.00 0.00 60.65 59.51 2jtt h LYS 55 Cb 0.35 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 2jtt h LYS 55 CO 0.02 0.84 -0.53 1.25 -3.45 0.00 0.00 179.45 177.58 2jtt h LEU 56 N 0.09 0.62 -0.93 5.20 6.46 -0.40 -2.83 115.31 123.52 2jtt h LEU 56 Ca -0.02 -0.32 -0.03 0.00 -0.12 0.00 0.00 57.88 57.39 2jtt h LEU 56 Cb 1.34 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 41.06 2jtt h LEU 56 CO 0.11 1.03 0.40 0.24 -0.62 0.00 0.00 178.44 179.60 2jtt h MET 57 N 0.43 1.17 -0.26 1.25 2.86 -0.58 -1.41 114.93 118.39 2jtt h MET 57 Ca 0.01 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 2jtt h MET 57 Cb 1.06 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 2jtt h MET 57 CO 0.10 0.89 0.07 0.22 1.06 0.00 0.00 176.91 179.25 2jtt h ASP 58 N 1.16 0.34 0.61 1.22 3.58 -1.28 0.25 116.42 122.30 2jtt h ASP 58 Ca 0.28 -0.04 -0.23 0.00 0.42 0.00 0.00 57.03 57.47 2jtt h ASP 58 Cb 0.10 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2jtt h ASP 58 CO -0.04 0.35 -1.02 -0.78 -2.88 0.00 0.00 179.24 174.87 2jtt h ASP 59 N 0.37 0.32 -0.09 2.28 3.58 -1.18 -1.79 116.42 119.91 2jtt h ASP 59 Ca 0.09 -0.30 -0.03 0.00 0.42 0.00 0.00 57.03 57.22 2jtt h ASP 59 Cb 0.15 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 2jtt h ASP 59 CO -0.00 1.16 -0.05 -0.07 -2.88 0.00 0.00 179.24 177.39 2jtt h LEU 60 N 0.10 0.19 0.00 2.28 3.38 -1.06 -3.16 115.31 117.05 2jtt h LEU 60 Ca -0.07 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2jtt h LEU 60 Cb 1.70 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.39 2jtt h LEU 60 CO 0.16 0.58 0.00 -0.67 0.09 0.00 0.00 178.44 178.60 2jtt n ASP 61 N -4.74 0.00 0.06 -0.43 2.03 0.06 -3.81 116.55 109.73 2jtt n ASP 61 Ca -0.07 0.10 0.19 0.00 0.52 0.00 0.00 54.79 55.53 2jtt n ASP 61 Cb 0.27 -0.36 0.71 0.00 -0.72 0.00 0.00 41.12 41.03 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 -0.00 -0.67 9.65 -1.28 0.20 114.38 122.28 2jtt h ARG 62 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2jtt h ARG 62 Cb 0.32 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 2jtt h ARG 62 CO 0.00 0.00 -0.04 0.09 2.80 0.00 0.00 179.97 182.82 2jtt n ASN 63 N -4.22 0.36 0.00 -3.80 4.13 -1.25 -4.51 115.26 105.97 2jtt n ASN 63 Ca 0.07 -0.73 0.00 0.00 1.68 0.00 0.00 54.58 55.61 2jtt n ASN 63 Cb 0.53 -0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.68 2jtt n ASN 63 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2jtt n LYS 64 N -0.90 0.36 -1.49 3.52 4.76 -0.40 -5.06 118.16 118.95 2jtt n LYS 64 Ca 0.18 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.45 2jtt n LYS 64 Cb 0.23 -0.40 -0.07 0.00 -1.84 0.00 0.00 35.03 32.94 2jtt n LYS 64 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jtt n ASP 65 N -0.46 -5.21 0.00 4.39 2.03 0.57 -4.65 116.55 113.21 2jtt n ASP 65 Ca 0.00 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.73 2jtt n ASP 65 Cb 0.00 -4.19 0.00 0.00 -0.72 0.00 0.00 41.12 36.21 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 -2.26 0.00 -4.60 -0.67 6.02 -1.26 -5.11 117.38 109.50 2jtt n GLN 66 Ca -0.17 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.60 2jtt n GLN 66 Cb 0.58 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.70 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 1.14 -0.56 -1.09 2.02 -1.26 -4.45 118.70 114.50 2jtt s GLU 67 Ca 0.00 -0.60 -0.28 0.00 0.02 0.00 0.00 54.97 54.10 2jtt s GLU 67 Cb 0.00 -1.12 0.03 0.00 0.10 0.00 0.00 34.13 33.14 2jtt s GLU 67 CO 0.00 0.30 1.19 0.08 0.02 0.00 0.00 175.26 176.85 2jtt s VAL 68 N -0.49 4.04 0.57 2.63 1.01 0.13 -4.78 120.40 123.52 2jtt s VAL 68 Ca 0.05 0.95 -0.13 0.00 0.00 0.00 0.00 61.98 62.85 2jtt s VAL 68 Cb -0.06 -4.70 -0.05 0.00 0.00 0.00 0.00 36.38 31.56 2jtt s VAL 68 CO 0.00 -1.28 1.00 0.21 0.00 0.00 0.00 175.10 175.03 2jtt s ASN 69 N 2.92 6.38 0.22 3.32 2.47 -1.26 -1.08 114.94 127.90 2jtt s ASN 69 Ca 0.44 1.45 -0.09 0.00 0.42 0.00 0.00 52.86 55.09 2jtt s ASN 69 Cb -0.07 -2.47 0.23 0.00 -1.45 0.00 0.00 41.25 37.48 2jtt s ASN 69 CO 0.27 -0.75 1.86 0.15 -3.72 0.00 0.00 177.10 174.90 2jtt h PHE 70 N 0.16 0.90 -0.56 0.43 3.57 -1.85 -1.99 116.94 117.61 2jtt h PHE 70 Ca -0.45 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 60.98 2jtt h PHE 70 Cb 1.19 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2jtt h PHE 70 CO 0.65 0.51 0.00 0.37 -2.23 0.00 0.00 178.31 177.61 2jtt h GLN 71 N 0.93 0.99 -0.37 1.11 4.15 -1.95 -2.76 115.11 117.21 2jtt h GLN 71 Ca 0.31 -0.31 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 2jtt h GLN 71 Cb 0.04 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2jtt h GLN 71 CO -0.12 0.99 -0.16 0.93 -1.93 0.00 0.00 178.83 178.53 2jtt h GLU 72 N 0.87 0.67 -0.81 1.69 3.07 -1.88 0.34 114.58 118.54 2jtt h GLU 72 Ca 0.16 -0.23 0.03 0.00 -0.50 0.00 0.00 59.36 58.82 2jtt h GLU 72 Cb 0.54 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.35 2jtt h GLU 72 CO 0.03 0.80 0.51 -0.92 -1.40 0.00 0.00 179.01 178.03 2jtt h TYR 73 N 0.61 0.96 -0.22 4.33 3.20 -1.29 -1.07 116.97 123.50 2jtt h TYR 73 Ca 0.10 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.80 2jtt h TYR 73 Cb 0.62 -0.32 0.01 0.00 1.54 0.00 0.00 36.73 38.58 2jtt h TYR 73 CO 0.03 0.55 -0.62 0.82 -1.64 0.00 0.00 178.16 177.29 2jtt h ILE 74 N 1.00 1.28 -0.92 1.81 2.04 -1.08 -1.84 117.51 119.80 2jtt h ILE 74 Ca 0.33 -1.82 0.11 0.00 1.00 0.00 0.00 64.86 64.48 2jtt h ILE 74 Cb 0.02 1.83 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 2jtt h ILE 74 CO -0.12 0.58 0.55 0.74 0.00 0.00 0.00 178.15 179.91 2jtt h THR 75 N 0.55 0.89 -0.36 -0.27 2.02 -0.81 -0.77 112.91 114.16 2jtt h THR 75 Ca -0.02 -0.30 -0.16 0.00 0.77 0.00 0.00 66.41 66.70 2jtt h THR 75 Cb 1.24 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2jtt h THR 75 CO 0.13 0.16 -0.40 0.15 0.37 0.00 0.00 175.52 175.94 2jtt h PHE 76 N 0.88 1.06 0.00 3.16 3.57 -1.10 -2.65 116.94 121.86 2jtt h PHE 76 Ca 0.46 -0.32 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2jtt h PHE 76 Cb 0.47 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2jtt h PHE 76 CO -0.03 1.13 -0.01 -0.07 -2.23 0.00 0.00 178.31 177.09 2jtt h LEU 77 N 0.72 0.00 -1.15 0.59 3.38 -0.67 0.18 115.31 118.36 2jtt h LEU 77 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2jtt h LEU 77 Cb 0.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2jtt h LEU 77 CO 0.09 0.01 -0.06 1.23 0.09 0.00 0.00 178.44 179.81 2jtt h GLY 78 N 0.05 0.56 0.80 0.83 0.00 -0.82 -0.14 103.07 104.35 2jtt h GLY 78 Ca -0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 2jtt h GLY 78 CO 0.00 0.34 -0.45 0.00 0.00 0.00 0.00 176.54 176.43 2jtt h ALA 79 N 1.45 0.17 -0.57 3.60 0.00 -0.94 -2.70 119.26 120.27 2jtt h ALA 79 Ca 0.10 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.58 2jtt h ALA 79 Cb 0.41 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2jtt h ALA 79 CO 0.02 0.32 0.28 1.25 0.00 0.00 0.00 179.25 181.11 2jtt h LEU 80 N 0.01 0.37 -1.64 0.00 5.85 -0.87 0.64 115.31 119.67 2jtt h LEU 80 Ca -0.03 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 2jtt h LEU 80 Cb 1.10 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2jtt h LEU 80 CO 0.09 0.24 -0.20 0.00 -0.34 0.00 0.00 178.44 178.24 2jtt h ALA 81 N 1.33 1.56 0.09 1.25 0.00 -1.11 -1.74 119.26 120.64 2jtt h ALA 81 Ca 0.27 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 2jtt h ALA 81 Cb 0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jtt h ALA 81 CO -0.21 0.25 -1.14 1.98 0.00 0.00 0.00 179.25 180.13 2jtt h MET 82 N 0.00 0.25 -0.20 0.00 1.85 -0.85 -3.24 114.93 112.74 2jtt h MET 82 Ca -0.00 -0.38 -0.09 0.00 -0.61 0.00 0.00 59.70 58.62 2jtt h MET 82 Cb 0.38 0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.53 2jtt h MET 82 CO 0.03 1.16 -0.26 0.82 -0.40 0.00 0.00 176.91 178.25 2jtt h ILE 83 N 0.09 1.26 0.00 1.77 5.03 -0.70 -3.08 117.51 121.88 2jtt h ILE 83 Ca -0.10 -1.23 -0.04 0.00 -0.12 0.00 0.00 64.86 63.36 2jtt h ILE 83 Cb 1.86 1.39 -0.01 0.00 -3.03 0.00 0.00 36.82 37.02 2jtt h ILE 83 CO 0.18 0.38 0.01 -1.22 -0.68 0.00 0.00 178.15 176.82 2jtt n TYR 84 N -4.13 0.00 0.23 1.37 4.02 -0.68 -4.74 117.16 113.24 2jtt n TYR 84 Ca -0.01 -0.65 0.17 0.00 -0.01 0.00 0.00 57.90 57.40 2jtt n TYR 84 Cb 0.39 -0.65 0.75 0.00 -0.02 0.00 0.00 39.34 39.82 2jtt n TYR 84 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 176.86 172.90 2jtt h ASN 85 N 3.15 0.00 0.42 7.72 7.08 -1.72 -0.59 115.58 131.65 2jtt h ASN 85 Ca 0.04 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.25 2jtt h ASN 85 Cb 0.66 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.90 2jtt h ASN 85 CO 0.14 0.00 -0.05 -0.33 -2.08 0.00 0.00 177.43 175.11 2jtt h GLU 86 N 0.00 0.00 0.09 4.14 4.39 -1.91 -3.01 114.58 118.28 2jtt h GLU 86 Ca 0.08 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2jtt h GLU 86 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2jtt h GLU 86 CO -0.00 0.05 -0.04 0.00 -1.16 0.00 0.00 179.01 177.86 2jtt h ALA 87 N 1.95 -0.12 0.00 3.43 0.00 -1.44 -3.37 119.26 119.71 2jtt h ALA 87 Ca -0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 2jtt h ALA 87 Cb 0.27 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2jtt h ALA 87 CO 0.01 -0.20 -0.21 -0.11 0.00 0.00 0.00 179.25 178.74 2jtt n LEU 88 N -4.83 4.93 0.00 0.00 7.94 -1.14 -3.20 117.00 120.70 2jtt n LEU 88 Ca -0.08 -2.72 0.00 0.00 -1.11 0.00 0.00 56.01 52.10 2jtt n LEU 88 Cb 0.29 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.01 2jtt n LEU 88 CO 0.26 1.33 0.00 1.17 -1.11 0.00 0.00 177.39 179.04 2jtt n LYS 89 N 2.16 0.56 -0.68 1.96 4.81 -1.25 -5.00 118.16 120.73 2jtt n LYS 89 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 2jtt n LYS 89 Cb 0.71 -0.16 0.00 0.00 0.02 0.00 0.00 35.03 35.60 2jtt n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98