#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 3.17 0.11 3.04 0.00 -1.26 -4.42 120.51 121.15 2jtt n ALA 2 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.11 2jtt n ALA 2 Cb 0.00 -1.21 0.17 0.00 0.00 0.00 0.00 19.45 18.41 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 0.25 0.18 -0.25 0.00 4.64 -2.06 -3.30 113.55 113.01 2jtt h SER 3 Ca 0.00 -0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 2jtt h SER 3 Cb 0.48 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2jtt h SER 3 CO 0.00 0.70 -0.45 1.55 -0.87 0.00 0.00 176.83 177.75 2jtt h PRO 4 N 0.12 0.76 0.14 4.77 0.13 -2.01 -1.79 132.00 134.11 2jtt h PRO 4 Ca -0.00 -0.47 -0.29 0.00 -0.87 0.00 0.00 66.00 64.37 2jtt h PRO 4 Cb 1.02 0.05 0.02 0.00 0.13 0.00 0.00 31.00 32.22 2jtt h PRO 4 CO 0.08 1.10 -1.26 1.25 -0.23 0.00 0.00 178.00 178.94 2jtt h LEU 5 N 0.49 0.61 -0.99 1.56 5.85 -1.90 -3.28 115.31 117.65 2jtt h LEU 5 Ca 0.02 -0.61 0.04 0.00 0.84 0.00 0.00 57.88 58.16 2jtt h LEU 5 Cb 1.06 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 2jtt h LEU 5 CO 0.10 1.46 0.65 -0.78 -0.34 0.00 0.00 178.44 179.53 2jtt h ASP 6 N 0.14 1.08 0.17 1.25 3.58 -1.62 -0.87 116.42 120.15 2jtt h ASP 6 Ca -0.16 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.16 2jtt h ASP 6 Cb 1.95 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.75 2jtt h ASP 6 CO 0.22 0.73 -0.44 0.06 -2.88 0.00 0.00 179.24 176.93 2jtt h GLN 7 N 1.24 0.34 -0.20 0.28 3.07 -1.45 -1.40 115.11 116.99 2jtt h GLN 7 Ca 0.40 -0.17 -0.17 0.00 0.09 0.00 0.00 58.65 58.79 2jtt h GLN 7 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.60 2jtt h GLN 7 CO -0.13 0.72 -0.56 0.00 0.09 0.00 0.00 178.83 178.95 2jtt h ALA 8 N 1.26 0.33 0.00 0.06 0.00 -1.36 -0.53 119.26 119.03 2jtt h ALA 8 Ca 0.02 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 2jtt h ALA 8 Cb 0.89 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2jtt h ALA 8 CO 0.07 0.55 -0.36 -0.84 0.00 0.00 0.00 179.25 178.68 2jtt h ILE 9 N 0.44 1.23 -0.28 0.00 3.07 -1.24 -2.43 117.51 118.31 2jtt h ILE 9 Ca -0.01 -1.23 -0.06 0.00 1.55 0.00 0.00 64.86 65.11 2jtt h ILE 9 Cb 1.18 1.67 -0.02 0.00 -0.27 0.00 0.00 36.82 39.38 2jtt h ILE 9 CO 0.12 0.35 -0.09 1.23 -1.05 0.00 0.00 178.15 178.71 2jtt h GLY 10 N 1.10 0.49 0.83 0.16 0.00 -1.03 -2.04 103.07 102.59 2jtt h GLY 10 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 2jtt h GLY 10 CO 0.05 0.29 -0.16 -2.00 0.00 0.00 0.00 176.54 174.72 2jtt h LEU 11 N 0.43 -0.38 -0.83 3.11 7.12 -0.62 -0.60 115.31 123.54 2jtt h LEU 11 Ca 0.08 -0.09 0.12 0.00 0.13 0.00 0.00 57.88 58.12 2jtt h LEU 11 Cb 0.42 0.10 -0.08 0.00 -0.53 0.00 0.00 40.66 40.57 2jtt h LEU 11 CO 0.02 -0.14 0.45 -0.07 -0.13 0.00 0.00 178.44 178.57 2jtt h LEU 12 N -0.63 0.58 -0.11 2.25 3.38 -1.43 0.24 115.31 119.59 2jtt h LEU 12 Ca -0.05 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jtt h LEU 12 Cb 0.45 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2jtt h LEU 12 CO 0.08 0.29 0.02 0.40 0.09 0.00 0.00 178.44 179.32 2jtt h ILE 13 N 0.69 1.22 0.00 1.22 2.04 -1.31 -2.63 117.51 118.74 2jtt h ILE 13 Ca 0.43 -0.69 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 2jtt h ILE 13 Cb 0.51 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2jtt h ILE 13 CO -0.31 0.20 -0.42 1.23 0.00 0.00 0.00 178.15 178.85 2jtt h GLY 14 N -0.04 0.00 0.61 5.37 0.00 -0.43 -0.86 103.07 107.70 2jtt h GLY 14 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 2jtt h GLY 14 CO 0.00 0.00 -0.18 -2.22 0.00 0.00 0.00 176.54 174.15 2jtt h ILE 15 N 0.00 1.42 -0.21 2.60 2.04 -1.04 -3.32 117.51 119.01 2jtt h ILE 15 Ca -0.00 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 2jtt h ILE 15 Cb 0.81 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 2jtt h ILE 15 CO 0.06 0.43 0.08 0.15 0.00 0.00 0.00 178.15 178.87 2jtt h PHE 16 N -0.26 0.31 0.00 1.37 3.04 -1.19 -3.30 116.94 116.91 2jtt h PHE 16 Ca -0.00 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.89 2jtt h PHE 16 Cb 0.78 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.20 2jtt h PHE 16 CO 0.12 0.36 -0.16 1.25 -2.02 0.00 0.00 178.31 177.86 2jtt h HIS 17 N 0.18 0.00 -0.71 0.41 2.76 -1.31 -1.26 115.15 115.23 2jtt h HIS 17 Ca 0.07 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.34 2jtt h HIS 17 Cb 0.17 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.06 2jtt h HIS 17 CO -0.01 0.16 0.34 0.87 -1.30 0.00 0.00 177.93 177.98 2jtt h LYS 18 N 0.00 0.55 0.15 5.26 1.57 -1.66 -0.97 116.57 121.46 2jtt h LYS 18 Ca -0.00 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.43 2jtt h LYS 18 Cb 0.74 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2jtt h LYS 18 CO 0.02 0.36 -1.54 1.88 -0.57 0.00 0.00 179.45 179.61 2jtt h TYR 19 N 0.57 0.56 -0.42 -1.35 -1.99 -1.65 -3.32 116.97 109.38 2jtt h TYR 19 Ca 0.35 -0.41 -0.04 0.00 2.00 0.00 0.00 58.73 60.63 2jtt h TYR 19 Cb 0.40 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.09 2jtt h TYR 19 CO -0.12 1.44 0.09 1.03 -0.00 0.00 0.00 178.16 180.61 2jtt h SER 20 N 0.08 0.64 -0.15 3.88 0.87 -1.07 -3.12 113.55 114.68 2jtt h SER 20 Ca -0.25 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2jtt h SER 20 Cb 2.04 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.83 2jtt h SER 20 CO 0.18 0.71 0.00 0.61 -0.53 0.00 0.00 176.83 177.80 2jtt n GLY 21 N -0.56 0.11 0.33 5.77 0.00 -0.39 -4.37 105.19 106.08 2jtt n GLY 21 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 1.85 0.86 -0.66 1.61 3.64 -1.63 -2.30 116.57 119.94 2jtt h LYS 22 Ca 0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2jtt h LYS 22 Cb 0.41 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2jtt h LYS 22 CO 0.00 0.63 0.00 -0.85 -2.27 0.00 0.00 179.45 176.96 2jtt n GLU 23 N -4.38 3.26 0.00 1.90 0.28 -1.26 -5.05 120.64 115.38 2jtt n GLU 23 Ca 0.06 -2.75 0.00 0.00 -0.16 0.00 0.00 57.16 54.31 2jtt n GLU 23 Cb 0.10 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.24 2jtt n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jtt n GLY 24 N 1.27 2.84 3.69 -1.84 0.00 -0.86 -5.08 105.19 105.21 2jtt n GLY 24 Ca 0.24 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 0.00 6.62 0.01 1.61 2.15 -1.26 -4.32 116.67 121.48 2jtt s ASP 25 Ca 0.00 2.46 -0.29 0.00 0.43 0.00 0.00 52.55 55.15 2jtt s ASP 25 Cb 0.00 -2.56 0.10 0.00 -0.30 0.00 0.00 42.92 40.16 2jtt s ASP 25 CO 0.00 -0.87 1.13 -1.59 -0.17 0.00 0.00 175.17 173.67 2jtt s LYS 26 N 2.52 0.67 -0.23 4.34 -2.85 -1.26 -5.04 119.74 117.88 2jtt s LYS 26 Ca 0.73 -0.34 0.10 0.00 -1.00 0.00 0.00 55.97 55.46 2jtt s LYS 26 Cb -0.39 0.25 0.43 0.00 -2.06 0.00 0.00 37.83 36.06 2jtt s LYS 26 CO 0.32 -0.30 1.25 0.72 0.10 0.00 0.00 175.35 177.43 2jtt n HIS 27 N -0.38 0.45 -4.09 1.78 8.25 -1.26 -4.20 115.22 115.76 2jtt n HIS 27 Ca -0.06 -1.60 -0.14 0.00 -0.26 0.00 0.00 57.72 55.66 2jtt n HIS 27 Cb 0.61 -0.29 -0.12 0.00 1.12 0.00 0.00 29.99 31.31 2jtt n HIS 27 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2jtt s THR 28 N -3.40 0.52 -0.20 1.59 -4.23 -1.26 -2.10 115.64 106.56 2jtt s THR 28 Ca 0.40 -0.89 -0.03 0.00 -1.18 0.00 0.00 61.69 59.99 2jtt s THR 28 Cb 0.38 -0.56 -0.01 0.00 1.34 0.00 0.00 72.50 73.65 2jtt s THR 28 CO -0.05 -0.26 -0.06 -0.76 -0.54 0.00 0.00 174.62 172.95 2jtt s LEU 29 N -1.25 2.91 0.81 4.79 1.43 -0.16 -4.60 118.68 122.62 2jtt s LEU 29 Ca -0.07 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 2jtt s LEU 29 Cb -0.08 -1.72 0.08 0.00 0.03 0.00 0.00 46.19 44.50 2jtt s LEU 29 CO 0.00 0.04 1.14 -0.44 0.23 0.00 0.00 176.35 177.32 2jtt s SER 30 N 1.13 4.43 0.16 2.29 0.01 -1.26 -0.16 113.70 120.29 2jtt s SER 30 Ca 0.02 0.98 -0.16 0.00 1.31 0.00 0.00 55.95 58.10 2jtt s SER 30 Cb -0.15 -1.60 0.08 0.00 0.21 0.00 0.00 66.02 64.56 2jtt s SER 30 CO -0.01 -1.97 1.75 0.11 0.41 0.00 0.00 173.24 173.53 2jtt h LYS 31 N -1.10 0.27 -0.31 12.44 1.57 -1.98 0.20 116.57 127.67 2jtt h LYS 31 Ca -0.47 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.12 2jtt h LYS 31 Cb 1.31 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 2jtt h LYS 31 CO 0.63 0.18 -0.48 -0.22 -0.57 0.00 0.00 179.45 178.99 2jtt h LYS 32 N 0.28 0.87 -0.32 3.15 1.63 -1.94 -2.25 116.57 118.00 2jtt h LYS 32 Ca 0.17 -0.53 -0.03 0.00 -0.85 0.00 0.00 60.65 59.42 2jtt h LYS 32 Cb 0.16 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 2jtt h LYS 32 CO -0.18 1.17 0.08 1.49 -3.45 0.00 0.00 179.45 178.55 2jtt h GLU 33 N 0.66 0.45 0.03 1.90 4.81 -1.77 -0.36 114.58 120.31 2jtt h GLU 33 Ca 0.03 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2jtt h GLU 33 Cb 1.09 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2jtt h GLU 33 CO 0.11 0.42 -0.02 1.25 -0.73 0.00 0.00 179.01 180.05 2jtt h LEU 34 N 0.45 -0.04 -1.18 1.64 7.12 -0.62 -3.04 115.31 119.63 2jtt h LEU 34 Ca 0.11 -0.41 0.13 0.00 0.13 0.00 0.00 57.88 57.84 2jtt h LEU 34 Cb 0.17 0.01 -0.08 0.00 -0.53 0.00 0.00 40.66 40.24 2jtt h LEU 34 CO -0.00 0.40 0.59 0.11 -0.13 0.00 0.00 178.44 179.41 2jtt h LYS 35 N -0.48 0.78 0.02 1.25 1.57 -0.79 -0.62 116.57 118.29 2jtt h LYS 35 Ca -0.00 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2jtt h LYS 35 Cb 0.45 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2jtt h LYS 35 CO 0.01 0.52 -0.17 0.93 -0.57 0.00 0.00 179.45 180.16 2jtt h GLU 36 N 0.80 -0.29 0.24 3.15 4.39 -1.09 0.14 114.58 121.93 2jtt h GLU 36 Ca 0.47 0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.19 2jtt h GLU 36 Cb 0.63 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 2jtt h GLU 36 CO -0.23 -0.19 -0.32 1.25 -1.16 0.00 0.00 179.01 178.36 2jtt h LEU 37 N -0.30 -0.89 -1.09 1.33 6.46 -1.19 -1.06 115.31 118.57 2jtt h LEU 37 Ca 0.05 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2jtt h LEU 37 Cb 0.36 0.32 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 2jtt h LEU 37 CO -0.15 -0.44 0.00 0.16 -0.62 0.00 0.00 178.44 177.39 2jtt h ILE 38 N -0.62 0.00 0.15 4.05 3.07 -0.98 0.21 117.51 123.39 2jtt h ILE 38 Ca 0.00 -0.41 -0.25 0.00 1.55 0.00 0.00 64.86 65.76 2jtt h ILE 38 Cb 0.60 1.30 0.02 0.00 -0.27 0.00 0.00 36.82 38.47 2jtt h ILE 38 CO -0.11 0.00 -1.15 1.56 -1.05 0.00 0.00 178.15 177.40 2jtt h GLN 39 N 0.00 0.33 0.13 0.16 1.08 -0.84 -3.24 115.11 112.72 2jtt h GLN 39 Ca 0.00 -0.56 -0.32 0.00 -1.45 0.00 0.00 58.65 56.33 2jtt h GLN 39 Cb 0.47 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2jtt h GLN 39 CO 0.00 1.27 -1.62 0.87 -0.95 0.00 0.00 178.83 178.40 2jtt h LYS 40 N -0.25 0.27 0.00 1.46 1.57 -0.84 -3.30 116.57 115.48 2jtt h LYS 40 Ca -0.22 -0.46 -0.07 0.00 -1.87 0.00 0.00 60.65 58.03 2jtt h LYS 40 Cb 1.78 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 34.26 2jtt h LYS 40 CO 0.14 1.13 -0.51 0.93 -0.57 0.00 0.00 179.45 180.58 2jtt h GLU 41 N 0.07 0.00 -2.12 3.15 4.39 -0.81 -3.39 114.58 115.87 2jtt h GLU 41 Ca -0.28 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.93 2jtt h GLU 41 Cb 2.04 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 30.54 2jtt h GLU 41 CO 0.16 0.50 0.69 1.28 -1.16 0.00 0.00 179.01 180.48 2jtt n LEU 42 N -4.60 6.60 -4.60 1.33 7.99 -1.22 -4.97 117.00 117.53 2jtt n LEU 42 Ca -0.13 -4.07 -0.55 0.00 -0.01 0.00 0.00 56.01 51.25 2jtt n LEU 42 Cb 0.37 -1.29 -0.07 0.00 -0.11 0.00 0.00 43.42 42.32 2jtt n LEU 42 CO 0.16 1.79 1.52 0.41 -1.51 0.00 0.00 177.39 179.75 2jtt n THR 43 N 1.33 0.29 0.65 -5.08 -1.04 -1.24 -4.72 114.28 104.47 2jtt n THR 43 Ca 0.51 -0.12 0.12 0.00 -2.04 0.00 0.00 64.05 62.52 2jtt n THR 43 Cb 0.55 -1.39 0.25 0.00 -1.82 0.00 0.00 70.33 67.92 2jtt n THR 43 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2jtt n ILE 44 N 5.58 0.34 -3.80 12.58 -5.35 -1.26 -5.07 119.36 122.39 2jtt n ILE 44 Ca 0.32 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 2jtt n ILE 44 Cb 0.17 -0.20 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 1.36 -0.72 0.19 3.28 0.00 -1.26 -3.98 105.19 104.05 2jtt n GLY 45 Ca 0.04 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 44.99 2jtt n GLY 45 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jtt h SER 46 N 5.39 0.00 -2.92 1.61 0.02 -2.04 -3.43 113.55 112.18 2jtt h SER 46 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 2jtt h SER 46 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jtt h SER 46 CO 0.00 0.00 0.81 -0.75 -1.14 0.00 0.00 176.83 175.75 2jtt s LYS 47 N -3.46 4.29 -0.10 3.45 2.20 -1.26 -5.02 119.74 119.83 2jtt s LYS 47 Ca 0.03 2.00 -0.28 0.00 -0.36 0.00 0.00 55.97 57.36 2jtt s LYS 47 Cb 0.09 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 2jtt s LYS 47 CO 0.43 -0.55 0.92 -0.51 -0.36 0.00 0.00 175.35 175.29 2jtt s LEU 48 N 2.14 4.25 -0.01 5.43 2.01 -1.26 -4.87 118.68 126.37 2jtt s LEU 48 Ca 0.64 1.41 0.01 0.00 0.01 0.00 0.00 54.13 56.21 2jtt s LEU 48 Cb -0.33 -3.42 0.02 0.00 0.01 0.00 0.00 46.19 42.47 2jtt s LEU 48 CO 0.28 -0.37 1.01 0.00 1.01 0.00 0.00 176.35 178.27 2jtt n GLN 49 N 4.79 0.07 0.27 1.70 6.02 -1.26 -4.96 117.38 124.01 2jtt n GLN 49 Ca 0.06 -1.09 0.13 0.00 -0.01 0.00 0.00 57.00 56.09 2jtt n GLN 49 Cb 0.49 -0.55 0.76 0.00 1.02 0.00 0.00 30.24 31.96 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 0.00 0.00 0.15 1.08 3.58 -1.98 0.81 116.42 120.05 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 1.38 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.42 2jtt h ASP 50 CO 0.00 0.09 -0.18 0.00 -2.88 0.00 0.00 179.24 176.27 2jtt h ALA 51 N 1.91 1.62 0.10 -0.78 0.00 -2.00 0.50 119.26 120.62 2jtt h ALA 51 Ca -0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 2jtt h ALA 51 Cb 0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jtt h ALA 51 CO 0.01 0.28 -1.27 0.93 0.00 0.00 0.00 179.25 179.20 2jtt h GLU 52 N 0.07 0.22 -0.53 0.00 3.07 -1.30 -3.23 114.58 112.87 2jtt h GLU 52 Ca 0.01 -0.37 -0.02 0.00 -0.50 0.00 0.00 59.36 58.48 2jtt h GLU 52 Cb 0.36 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 2jtt h GLU 52 CO 0.02 1.15 0.27 0.82 -1.40 0.00 0.00 179.01 179.87 2jtt h ILE 53 N 0.06 1.19 -0.05 3.13 1.08 -0.74 0.78 117.51 122.97 2jtt h ILE 53 Ca -0.14 -0.53 -0.06 0.00 -0.39 0.00 0.00 64.86 63.74 2jtt h ILE 53 Cb 1.95 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 36.26 2jtt h ILE 53 CO 0.18 0.21 -0.24 -0.37 -0.69 0.00 0.00 178.15 177.25 2jtt h VAL 54 N 0.71 1.20 0.03 1.67 -1.51 -1.05 0.11 116.25 117.41 2jtt h VAL 54 Ca 0.18 -0.92 -0.22 0.00 -1.23 0.00 0.00 66.70 64.52 2jtt h VAL 54 Cb 0.10 1.43 -0.02 0.00 -2.13 0.00 0.00 31.29 30.67 2jtt h VAL 54 CO -0.03 0.27 -1.02 0.50 -1.23 0.00 0.00 177.57 176.06 2jtt h LYS 55 N 0.07 0.08 -0.35 5.19 1.63 -1.48 -0.87 116.57 120.85 2jtt h LYS 55 Ca 0.01 -0.13 -0.07 0.00 -0.85 0.00 0.00 60.65 59.62 2jtt h LYS 55 Cb 0.47 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 2jtt h LYS 55 CO 0.03 1.03 -0.05 1.25 -3.45 0.00 0.00 179.45 178.26 2jtt h LEU 56 N 0.03 0.64 -0.84 5.20 6.46 -0.61 -1.48 115.31 124.72 2jtt h LEU 56 Ca -0.04 -0.34 0.03 0.00 -0.12 0.00 0.00 57.88 57.41 2jtt h LEU 56 Cb 1.76 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 41.46 2jtt h LEU 56 CO 0.14 0.84 0.54 -0.03 -0.62 0.00 0.00 178.44 179.31 2jtt h MET 57 N 0.44 1.01 -0.36 1.25 4.05 -0.98 -1.27 114.93 119.07 2jtt h MET 57 Ca 0.09 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.38 2jtt h MET 57 Cb 0.53 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 2jtt h MET 57 CO 0.03 0.67 -0.08 0.22 0.23 0.00 0.00 176.91 177.98 2jtt h ASP 58 N 1.04 0.58 0.24 1.39 3.58 -1.03 0.12 116.42 122.35 2jtt h ASP 58 Ca 0.34 -0.15 -0.14 0.00 0.42 0.00 0.00 57.03 57.50 2jtt h ASP 58 Cb 0.01 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2jtt h ASP 58 CO -0.12 0.70 -0.54 -0.78 -2.88 0.00 0.00 179.24 175.62 2jtt h ASP 59 N 0.56 0.36 -0.29 2.28 3.58 -0.91 -2.08 116.42 119.92 2jtt h ASP 59 Ca 0.11 -0.19 -0.08 0.00 0.42 0.00 0.00 57.03 57.29 2jtt h ASP 59 Cb 0.47 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2jtt h ASP 59 CO 0.03 0.83 -0.13 -0.07 -2.88 0.00 0.00 179.24 177.02 2jtt h LEU 60 N 0.25 0.62 -1.20 2.28 3.38 -0.98 -3.29 115.31 116.36 2jtt h LEU 60 Ca 0.00 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 2jtt h LEU 60 Cb 1.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2jtt h LEU 60 CO 0.09 0.88 -0.19 -0.78 0.09 0.00 0.00 178.44 178.53 2jtt h ASP 61 N 0.35 0.30 0.41 -0.43 3.58 -0.68 -1.77 116.42 118.19 2jtt h ASP 61 Ca 0.07 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2jtt h ASP 61 Cb 0.64 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2jtt h ASP 61 CO 0.04 0.52 0.00 -2.11 -2.88 0.00 0.00 179.24 174.81 2jtt n ARG 62 N -4.20 0.28 0.09 0.28 -4.01 -0.79 -2.45 116.66 105.87 2jtt n ARG 62 Ca -0.01 0.09 -0.15 0.00 -1.04 0.00 0.00 57.85 56.75 2jtt n ARG 62 Cb 0.33 -1.50 -0.11 0.00 -3.04 0.00 0.00 32.46 28.14 2jtt n ARG 62 CO 0.00 0.00 0.00 -0.97 -3.04 0.00 0.00 177.63 173.62 2jtt h ASN 63 N 0.00 0.41 -2.04 2.89 -1.24 -1.39 -3.45 115.58 110.76 2jtt h ASN 63 Ca 0.00 -0.41 0.07 0.00 0.71 0.00 0.00 56.30 56.67 2jtt h ASN 63 Cb 0.20 -0.13 -0.20 0.00 0.73 0.00 0.00 38.32 38.92 2jtt h ASN 63 CO 0.00 1.29 -0.14 -0.75 -1.29 0.00 0.00 177.43 176.54 2jtt s LYS 64 N -2.81 0.57 0.22 6.67 2.36 -1.02 -5.07 119.74 120.65 2jtt s LYS 64 Ca -0.04 1.43 -0.31 0.00 -2.55 0.00 0.00 55.97 54.50 2jtt s LYS 64 Cb 0.08 0.84 -0.11 0.00 -1.05 0.00 0.00 37.83 37.59 2jtt s LYS 64 CO 0.87 -0.20 1.59 0.34 1.55 0.00 0.00 175.35 179.50 2jtt s ASP 65 N 2.87 6.51 0.00 1.43 2.15 -1.07 -3.93 116.67 124.62 2jtt s ASP 65 Ca -0.06 2.75 0.00 0.00 0.43 0.00 0.00 52.55 55.67 2jtt s ASP 65 Cb -0.12 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 2jtt s ASP 65 CO -0.19 -0.86 0.00 0.00 -0.17 0.00 0.00 175.17 173.96 2jtt n GLN 66 N 3.32 0.00 -3.74 4.34 6.02 -1.26 -4.80 117.38 121.26 2jtt n GLN 66 Ca 0.12 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.99 2jtt n GLN 66 Cb 0.38 -0.15 -0.13 0.00 1.02 0.00 0.00 30.24 31.36 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 0.23 -0.23 -1.09 1.03 -1.25 -3.43 118.70 113.96 2jtt s GLU 67 Ca 0.00 0.51 -0.16 0.00 0.03 0.00 0.00 54.97 55.35 2jtt s GLU 67 Cb 0.00 -0.07 -0.04 0.00 -0.80 0.00 0.00 34.13 33.22 2jtt s GLU 67 CO 0.00 -0.14 0.41 0.08 -1.33 0.00 0.00 175.26 174.28 2jtt s VAL 68 N 1.07 5.17 0.68 1.83 1.01 0.77 -4.79 120.40 126.14 2jtt s VAL 68 Ca -0.08 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 2jtt s VAL 68 Cb -0.09 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 2jtt s VAL 68 CO -0.07 0.20 1.07 0.20 0.00 0.00 0.00 175.10 176.50 2jtt s ASN 69 N 1.27 5.62 0.27 3.32 0.01 -1.26 -0.99 114.94 123.18 2jtt s ASN 69 Ca 0.18 1.33 -0.00 0.00 -0.71 0.00 0.00 52.86 53.66 2jtt s ASN 69 Cb -0.15 -2.22 0.54 0.00 0.41 0.00 0.00 41.25 39.83 2jtt s ASN 69 CO 0.09 -1.25 1.78 0.15 -1.51 0.00 0.00 177.10 176.36 2jtt h PHE 70 N -0.59 0.89 -0.13 2.20 3.57 -1.82 -1.02 116.94 120.03 2jtt h PHE 70 Ca -0.45 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 2jtt h PHE 70 Cb 1.23 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 2jtt h PHE 70 CO 0.57 0.26 0.08 0.37 -2.23 0.00 0.00 178.31 177.36 2jtt h GLN 71 N 0.73 0.18 -0.01 1.11 4.15 -1.93 -2.80 115.11 116.53 2jtt h GLN 71 Ca 0.47 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.76 2jtt h GLN 71 Cb 0.61 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 2jtt h GLN 71 CO -0.33 0.17 -0.53 0.93 -1.93 0.00 0.00 178.83 177.14 2jtt h GLU 72 N 0.15 0.03 -0.80 1.69 3.07 -1.69 -0.53 114.58 116.50 2jtt h GLU 72 Ca 0.05 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2jtt h GLU 72 Cb 0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.90 2jtt h GLU 72 CO -0.01 0.55 0.49 -0.92 -1.40 0.00 0.00 179.01 177.72 2jtt h TYR 73 N 0.02 1.04 -0.10 4.33 3.20 -1.18 -1.73 116.97 122.57 2jtt h TYR 73 Ca -0.00 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.68 2jtt h TYR 73 Cb 0.94 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 2jtt h TYR 73 CO 0.00 0.69 -0.73 0.82 -1.64 0.00 0.00 178.16 177.30 2jtt h ILE 74 N 1.09 1.36 -0.63 1.81 2.04 -1.12 -2.35 117.51 119.71 2jtt h ILE 74 Ca 0.29 -2.10 0.08 0.00 1.00 0.00 0.00 64.86 64.13 2jtt h ILE 74 Cb -0.06 2.07 -0.07 0.00 -0.74 0.00 0.00 36.82 38.03 2jtt h ILE 74 CO -0.06 0.64 0.28 0.74 0.00 0.00 0.00 178.15 179.76 2jtt h THR 75 N 0.33 0.84 -0.58 -0.27 2.02 -0.96 -1.15 112.91 113.14 2jtt h THR 75 Ca -0.03 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 2jtt h THR 75 Cb 1.32 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 2jtt h THR 75 CO 0.13 0.09 0.22 0.15 0.37 0.00 0.00 175.52 176.49 2jtt h PHE 76 N 0.51 0.89 0.00 3.16 3.57 -1.27 -2.58 116.94 121.22 2jtt h PHE 76 Ca 0.31 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 2jtt h PHE 76 Cb 0.32 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2jtt h PHE 76 CO -0.13 0.72 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.58 2jtt h LEU 77 N 0.80 0.00 -0.85 0.59 3.38 -0.79 -0.88 115.31 117.56 2jtt h LEU 77 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2jtt h LEU 77 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2jtt h LEU 77 CO -0.01 0.02 0.05 1.23 0.09 0.00 0.00 178.44 179.82 2jtt h GLY 78 N 0.33 0.98 0.89 0.83 0.00 -0.82 0.77 103.07 106.05 2jtt h GLY 78 Ca -0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 47.33 46.58 2jtt h GLY 78 CO 0.00 0.60 -0.30 0.00 0.00 0.00 0.00 176.54 176.84 2jtt h ALA 79 N 1.20 0.31 -0.53 3.60 0.00 -1.21 -2.23 119.26 120.40 2jtt h ALA 79 Ca 0.17 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.73 2jtt h ALA 79 Cb 0.43 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2jtt h ALA 79 CO 0.02 0.34 0.24 1.25 0.00 0.00 0.00 179.25 181.09 2jtt h LEU 80 N 0.25 0.30 -1.40 0.00 5.85 -1.15 -0.16 115.31 119.00 2jtt h LEU 80 Ca 0.02 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 2jtt h LEU 80 Cb 0.88 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 2jtt h LEU 80 CO 0.07 0.20 -0.29 0.00 -0.34 0.00 0.00 178.44 178.08 2jtt h ALA 81 N 1.32 1.32 -0.10 1.25 0.00 -0.87 -2.03 119.26 120.16 2jtt h ALA 81 Ca 0.25 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2jtt h ALA 81 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jtt h ALA 81 CO -0.21 0.37 -0.77 1.98 0.00 0.00 0.00 179.25 180.61 2jtt h MET 82 N 0.00 0.57 -0.12 0.00 1.85 -0.73 -3.21 114.93 113.28 2jtt h MET 82 Ca -0.00 -0.47 -0.04 0.00 -0.61 0.00 0.00 59.70 58.57 2jtt h MET 82 Cb 0.59 0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.71 2jtt h MET 82 CO 0.04 1.10 -0.11 0.82 -0.40 0.00 0.00 176.91 178.35 2jtt h ILE 83 N 0.38 1.15 0.00 1.77 5.03 -0.52 -2.96 117.51 122.37 2jtt h ILE 83 Ca -0.04 -0.67 -0.02 0.00 -0.12 0.00 0.00 64.86 64.01 2jtt h ILE 83 Cb 1.37 1.19 -0.01 0.00 -3.03 0.00 0.00 36.82 36.34 2jtt h ILE 83 CO 0.14 0.21 0.02 -1.22 -0.68 0.00 0.00 178.15 176.62 2jtt n TYR 84 N -4.31 0.00 0.32 1.37 4.01 -0.81 -4.68 117.16 113.06 2jtt n TYR 84 Ca -0.01 -0.52 0.20 0.00 -0.16 0.00 0.00 57.90 57.40 2jtt n TYR 84 Cb 0.24 -0.51 1.06 0.00 -0.31 0.00 0.00 39.34 39.82 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 3.05 0.00 -0.20 7.72 7.08 -1.73 -1.37 115.58 130.13 2jtt h ASN 85 Ca 0.02 0.00 0.06 0.00 -3.08 0.00 0.00 56.30 53.30 2jtt h ASN 85 Cb 0.53 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.76 2jtt h ASN 85 CO 0.09 0.00 0.21 1.05 -2.08 0.00 0.00 177.43 176.70 2jtt h GLU 86 N 0.00 0.00 0.00 4.14 4.11 -1.90 -0.67 114.58 120.26 2jtt h GLU 86 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2jtt h GLU 86 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2jtt h GLU 86 CO 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 179.01 178.96 2jtt h ALA 87 N 1.77 1.34 0.00 1.06 0.00 -1.62 -0.99 119.26 120.82 2jtt h ALA 87 Ca 0.10 -0.11 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 2jtt h ALA 87 Cb 0.52 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2jtt h ALA 87 CO -0.00 0.14 -1.89 1.28 0.00 0.00 0.00 179.25 178.78 2jtt n LEU 88 N -3.72 0.62 -0.08 0.00 4.32 -0.30 -4.32 117.00 113.52 2jtt n LEU 88 Ca -0.02 0.29 -0.15 0.00 -0.02 0.00 0.00 56.01 56.11 2jtt n LEU 88 Cb 0.23 0.26 -0.04 0.00 -1.62 0.00 0.00 43.42 42.24 2jtt n LEU 88 CO 0.30 0.40 0.42 0.11 -1.22 0.00 0.00 177.39 177.41 2jtt h LYS 89 N 0.00 0.88 0.00 3.23 1.79 -1.20 -3.53 116.57 117.73 2jtt h LYS 89 Ca -0.35 -0.57 0.00 0.00 -2.18 0.00 0.00 60.65 57.55 2jtt h LYS 89 Cb 2.05 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.77 2jtt h LYS 89 CO 0.06 1.20 0.00 0.41 -1.08 0.00 0.00 179.45 180.04