#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 -0.06 3.04 0.00 -1.26 -4.67 120.51 117.57 2jtt n ALA 2 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.67 2jtt n ALA 2 Cb 0.00 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.16 2jtt n ALA 2 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jtt h SER 3 N 0.00 0.00 -0.71 0.00 4.64 -2.05 -1.11 113.55 114.32 2jtt h SER 3 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2jtt h SER 3 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2jtt h SER 3 CO 0.00 0.00 0.35 -0.65 -0.87 0.00 0.00 176.83 175.66 2jtt h PRO 4 N 0.00 1.04 0.23 4.77 0.11 -2.00 -1.79 132.00 134.35 2jtt h PRO 4 Ca 0.31 -0.14 -0.33 0.00 0.11 0.00 0.00 66.00 65.95 2jtt h PRO 4 Cb 1.26 -0.19 0.03 0.00 0.11 0.00 0.00 31.00 32.21 2jtt h PRO 4 CO -0.00 0.80 -1.45 1.25 -0.21 0.00 0.00 178.00 178.39 2jtt h LEU 5 N 1.03 0.76 -1.24 2.35 5.85 -1.63 -3.19 115.31 119.23 2jtt h LEU 5 Ca 0.25 -0.82 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 2jtt h LEU 5 Cb 0.11 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2jtt h LEU 5 CO -0.03 1.65 0.25 0.44 -0.34 0.00 0.00 178.44 180.40 2jtt h ASP 6 N 0.13 0.69 1.41 1.25 3.32 -1.33 -0.25 116.42 121.64 2jtt h ASP 6 Ca -0.24 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2jtt h ASP 6 Cb 2.13 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 41.51 2jtt h ASP 6 CO 0.26 0.61 0.00 0.06 -1.72 0.00 0.00 179.24 178.44 2jtt h GLN 7 N 0.77 0.00 0.00 3.56 3.07 -1.45 -1.05 115.11 120.01 2jtt h GLN 7 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.91 2jtt h GLN 7 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.66 2jtt h GLN 7 CO -0.02 0.00 -0.11 0.00 0.09 0.00 0.00 178.83 178.79 2jtt h ALA 8 N 2.25 0.02 -0.20 0.06 0.00 -1.25 -3.08 119.26 117.06 2jtt h ALA 8 Ca 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2jtt h ALA 8 Cb 0.71 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2jtt h ALA 8 CO 0.00 0.07 -0.09 -0.84 0.00 0.00 0.00 179.25 178.39 2jtt h ILE 9 N -1.00 1.18 0.00 0.00 3.07 -1.16 -1.49 117.51 118.12 2jtt h ILE 9 Ca -0.03 -0.76 -0.02 0.00 1.55 0.00 0.00 64.86 65.60 2jtt h ILE 9 Cb 0.83 1.13 -0.00 0.00 -0.27 0.00 0.00 36.82 38.50 2jtt h ILE 9 CO -0.02 0.24 -0.10 1.23 -1.05 0.00 0.00 178.15 178.46 2jtt h GLY 10 N 0.75 0.00 0.70 0.16 0.00 -1.35 -2.55 103.07 100.78 2jtt h GLY 10 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2jtt h GLY 10 CO 0.02 0.00 -0.04 -2.00 0.00 0.00 0.00 176.54 174.52 2jtt h LEU 11 N 0.00 0.21 -0.83 3.11 7.12 -1.17 -0.57 115.31 123.18 2jtt h LEU 11 Ca -0.00 -0.40 0.01 0.00 0.13 0.00 0.00 57.88 57.62 2jtt h LEU 11 Cb 0.47 -0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.50 2jtt h LEU 11 CO 0.01 0.56 0.55 -0.07 -0.13 0.00 0.00 178.44 179.36 2jtt h LEU 12 N -0.15 0.95 0.11 2.25 4.07 -1.47 -0.09 115.31 120.98 2jtt h LEU 12 Ca 0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 2jtt h LEU 12 Cb 0.48 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.98 2jtt h LEU 12 CO 0.01 0.68 -0.05 0.40 -1.08 0.00 0.00 178.44 178.40 2jtt h ILE 13 N 1.12 0.89 0.00 1.22 2.04 -1.39 -1.25 117.51 120.13 2jtt h ILE 13 Ca 0.31 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.09 2jtt h ILE 13 Cb -0.12 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2jtt h ILE 13 CO -0.07 0.00 -0.39 1.23 0.00 0.00 0.00 178.15 178.91 2jtt h GLY 14 N -0.14 0.00 0.59 5.37 0.00 -0.74 -1.46 103.07 106.69 2jtt h GLY 14 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 2jtt h GLY 14 CO 0.02 0.00 -0.25 -2.22 0.00 0.00 0.00 176.54 174.10 2jtt h ILE 15 N 0.00 0.18 -0.05 2.60 2.04 -1.01 -3.38 117.51 117.89 2jtt h ILE 15 Ca -0.00 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2jtt h ILE 15 Cb 0.74 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2jtt h ILE 15 CO 0.05 0.03 0.02 0.15 0.00 0.00 0.00 178.15 178.41 2jtt h PHE 16 N -1.11 0.05 0.00 1.37 3.04 -0.93 -3.22 116.94 116.13 2jtt h PHE 16 Ca -0.07 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.88 2jtt h PHE 16 Cb 0.58 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.08 2jtt h PHE 16 CO 0.01 0.03 -0.02 1.25 -2.02 0.00 0.00 178.31 177.56 2jtt h HIS 17 N 0.05 0.00 -0.42 0.41 2.76 -1.47 -1.86 115.15 114.63 2jtt h HIS 17 Ca 0.02 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 2jtt h HIS 17 Cb 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 2jtt h HIS 17 CO -0.08 0.02 -0.05 1.57 -1.30 0.00 0.00 177.93 178.08 2jtt h LYS 18 N 0.00 0.70 0.00 5.26 2.10 -1.73 -3.06 116.57 119.84 2jtt h LYS 18 Ca -0.00 -0.20 -0.15 0.00 -2.00 0.00 0.00 60.65 58.31 2jtt h LYS 18 Cb 0.50 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.73 2jtt h LYS 18 CO 0.00 0.75 -0.76 1.88 -2.00 0.00 0.00 179.45 179.33 2jtt h TYR 19 N 0.65 0.00 -0.38 0.07 0.05 -1.50 -3.26 116.97 112.60 2jtt h TYR 19 Ca 0.12 0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.01 2jtt h TYR 19 Cb 0.48 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 2jtt h TYR 19 CO 0.02 0.66 0.27 0.77 -1.05 0.00 0.00 178.16 178.84 2jtt h SER 20 N 0.00 0.03 -0.60 3.88 0.02 -1.32 -2.49 113.55 113.06 2jtt h SER 20 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2jtt h SER 20 Cb 1.53 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.07 2jtt h SER 20 CO 0.08 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.40 2jtt n GLY 21 N -1.60 2.70 0.06 -3.77 0.00 -1.22 -3.66 105.19 97.70 2jtt n GLY 21 Ca 0.06 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 3.56 -0.01 0.00 1.61 3.11 -1.49 -3.44 116.57 119.91 2jtt h LYS 22 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2jtt h LYS 22 Cb 1.05 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 2jtt h LYS 22 CO 0.06 0.44 0.00 -0.85 -2.81 0.00 0.00 179.45 176.29 2jtt n GLU 23 N -4.88 1.89 0.00 1.90 0.28 -1.26 -5.13 120.64 113.44 2jtt n GLU 23 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 2jtt n GLU 23 Cb 0.23 -0.16 0.00 0.00 1.43 0.00 0.00 31.44 32.95 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 0.00 -0.06 3.34 -1.84 0.00 -1.26 -5.12 105.19 100.25 2jtt n GLY 24 Ca 0.00 -1.64 -0.14 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 -1.00 -0.43 0.19 1.61 2.15 -1.24 -4.74 116.67 113.21 2jtt s ASP 25 Ca 0.00 0.73 0.00 0.00 0.43 0.00 0.00 52.55 53.71 2jtt s ASP 25 Cb 0.00 0.77 0.00 0.00 -0.30 0.00 0.00 42.92 43.39 2jtt s ASP 25 CO 0.00 -0.26 0.00 0.29 -0.17 0.00 0.00 175.17 175.03 2jtt n LYS 26 N 2.34 -1.50 -0.97 4.34 5.02 -1.26 -4.49 118.16 121.64 2jtt n LYS 26 Ca -0.16 1.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.87 2jtt n LYS 26 Cb 0.57 -1.82 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 2jtt n LYS 26 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2jtt n HIS 27 N -2.84 1.79 -3.54 2.13 1.44 -1.26 -4.71 115.22 108.23 2jtt n HIS 27 Ca -0.00 -2.33 -0.17 0.00 -2.01 0.00 0.00 57.72 53.21 2jtt n HIS 27 Cb 0.33 -1.95 -0.06 0.00 0.12 0.00 0.00 29.99 28.43 2jtt n HIS 27 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 2jtt s THR 28 N 3.12 0.00 0.11 0.61 -1.32 -1.26 -3.26 115.64 113.63 2jtt s THR 28 Ca 0.50 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 61.08 2jtt s THR 28 Cb 0.13 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.08 2jtt s THR 28 CO -0.03 0.00 -0.23 -0.76 -2.21 0.00 0.00 174.62 171.39 2jtt s LEU 29 N -1.01 2.47 0.86 9.08 1.02 -0.57 -4.52 118.68 126.01 2jtt s LEU 29 Ca -0.09 -0.64 -0.12 0.00 0.02 0.00 0.00 54.13 53.30 2jtt s LEU 29 Cb -0.01 -1.37 0.11 0.00 0.02 0.00 0.00 46.19 44.94 2jtt s LEU 29 CO 0.08 0.19 1.16 -0.94 0.02 0.00 0.00 176.35 176.87 2jtt s SER 30 N -1.96 4.05 0.13 2.29 1.04 -1.26 -0.12 113.70 117.87 2jtt s SER 30 Ca 0.15 0.88 -0.24 0.00 0.48 0.00 0.00 55.95 57.22 2jtt s SER 30 Cb -0.10 -1.42 -0.03 0.00 0.10 0.00 0.00 66.02 64.57 2jtt s SER 30 CO 0.07 -2.20 1.64 0.11 0.98 0.00 0.00 173.24 173.84 2jtt h LYS 31 N -1.26 -0.31 -0.77 4.02 1.57 -1.96 0.37 116.57 118.23 2jtt h LYS 31 Ca -0.48 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 2jtt h LYS 31 Cb 1.33 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.67 2jtt h LYS 31 CO 0.64 -0.21 0.40 -0.22 -0.57 0.00 0.00 179.45 179.49 2jtt h LYS 32 N -0.32 1.09 -0.28 3.15 3.11 -1.96 -1.08 116.57 120.28 2jtt h LYS 32 Ca 0.08 -0.14 -0.10 0.00 -2.81 0.00 0.00 60.65 57.68 2jtt h LYS 32 Cb 0.44 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.45 2jtt h LYS 32 CO -0.26 0.83 -0.24 1.49 -2.81 0.00 0.00 179.45 178.45 2jtt h GLU 33 N 1.07 0.53 -0.36 1.90 4.81 -1.85 0.13 114.58 120.81 2jtt h GLU 33 Ca 0.27 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2jtt h GLU 33 Cb 0.07 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2jtt h GLU 33 CO -0.04 0.74 -0.12 1.25 -0.73 0.00 0.00 179.01 180.11 2jtt h LEU 34 N 0.47 0.72 -1.17 1.64 7.12 -0.74 -0.92 115.31 122.44 2jtt h LEU 34 Ca 0.07 -0.38 0.08 0.00 0.13 0.00 0.00 57.88 57.78 2jtt h LEU 34 Cb 0.68 -0.20 -0.06 0.00 -0.53 0.00 0.00 40.66 40.55 2jtt h LEU 34 CO 0.05 0.94 0.58 0.50 -0.13 0.00 0.00 178.44 180.38 2jtt h LYS 35 N 0.50 0.92 -0.42 1.25 3.11 -0.80 -0.90 116.57 120.24 2jtt h LYS 35 Ca 0.09 -0.06 -0.07 0.00 -2.81 0.00 0.00 60.65 57.80 2jtt h LYS 35 Cb 0.64 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.64 2jtt h LYS 35 CO 0.04 0.61 -0.01 1.49 -2.81 0.00 0.00 179.45 178.77 2jtt h GLU 36 N 0.95 0.75 -0.51 1.90 4.81 -0.74 -0.85 114.58 120.88 2jtt h GLU 36 Ca 0.41 -0.25 0.10 0.00 -0.13 0.00 0.00 59.36 59.49 2jtt h GLU 36 Cb 0.32 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.56 2jtt h GLU 36 CO -0.17 0.83 0.05 1.25 -0.73 0.00 0.00 179.01 180.25 2jtt h LEU 37 N 0.58 -0.11 -0.22 1.64 6.46 -0.53 -0.66 115.31 122.47 2jtt h LEU 37 Ca 0.12 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 2jtt h LEU 37 Cb 0.50 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 2jtt h LEU 37 CO 0.02 -0.03 0.09 0.40 -0.62 0.00 0.00 178.44 178.31 2jtt h ILE 38 N 0.17 1.16 -0.67 4.05 2.04 -0.86 0.21 117.51 123.61 2jtt h ILE 38 Ca 0.26 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 2jtt h ILE 38 Cb 0.38 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2jtt h ILE 38 CO -0.39 0.15 0.13 1.56 0.00 0.00 0.00 178.15 179.60 2jtt h GLN 39 N 0.21 1.10 0.10 2.37 1.08 -0.79 -0.79 115.11 118.38 2jtt h GLN 39 Ca 0.07 -0.28 -0.32 0.00 -1.45 0.00 0.00 58.65 56.67 2jtt h GLN 39 Cb 0.16 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 2jtt h GLN 39 CO -0.01 0.99 -1.69 0.87 -0.95 0.00 0.00 178.83 178.05 2jtt h LYS 40 N 1.03 0.21 0.02 1.46 1.57 -1.11 -3.42 116.57 116.32 2jtt h LYS 40 Ca 0.21 -0.35 -0.19 0.00 -1.87 0.00 0.00 60.65 58.45 2jtt h LYS 40 Cb 0.42 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2jtt h LYS 40 CO 0.01 1.02 -1.03 1.49 -0.57 0.00 0.00 179.45 180.37 2jtt h GLU 41 N 0.06 0.03 -4.60 3.15 4.57 -0.62 -3.40 114.58 113.77 2jtt h GLU 41 Ca -0.30 -0.06 -0.73 0.00 -1.18 0.00 0.00 59.36 57.09 2jtt h GLU 41 Cb 2.02 0.02 -0.15 0.00 -0.16 0.00 0.00 28.75 30.48 2jtt h GLU 41 CO 0.13 1.03 1.69 1.28 -1.18 0.00 0.00 179.01 181.96 2jtt n LEU 42 N -4.39 5.56 -2.13 1.64 4.77 -0.30 -4.88 117.00 117.27 2jtt n LEU 42 Ca -0.27 -4.42 -0.06 0.00 -0.03 0.00 0.00 56.01 51.24 2jtt n LEU 42 Cb 0.67 -1.61 -0.09 0.00 -2.33 0.00 0.00 43.42 40.07 2jtt n LEU 42 CO 0.25 0.81 1.09 0.35 -1.33 0.00 0.00 177.39 178.55 2jtt n THR 43 N 4.58 1.70 1.74 -5.08 -2.24 -1.26 -4.54 114.28 109.19 2jtt n THR 43 Ca 0.40 -0.81 0.15 0.00 -2.27 0.00 0.00 64.05 61.52 2jtt n THR 43 Cb 0.42 -1.73 0.72 0.00 -2.10 0.00 0.00 70.33 67.64 2jtt n THR 43 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2jtt n ILE 44 N 2.55 0.01 0.00 2.28 -5.35 -1.26 -4.93 119.36 112.66 2jtt n ILE 44 Ca 0.22 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 2jtt n ILE 44 Cb 0.51 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 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 1.08 2.57 4.29 3.28 0.00 -1.26 -4.57 105.19 110.57 2jtt n GLY 45 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 0.00 0.00 1.61 7.64 -1.26 -4.95 113.62 116.66 2jtt n SER 46 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jtt n SER 46 Cb 0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2jtt n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jtt n LYS 47 N -1.68 0.00 -0.15 1.43 5.02 -1.26 -0.44 118.16 121.08 2jtt n LYS 47 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 2jtt n LYS 47 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.17 2jtt n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2jtt n LEU 48 N 0.00 2.64 0.00 -0.35 4.77 -1.26 -4.84 117.00 117.96 2jtt n LEU 48 Ca 0.00 -3.11 0.12 0.00 -0.03 0.00 0.00 56.01 53.00 2jtt n LEU 48 Cb 0.00 -0.45 0.32 0.00 -2.33 0.00 0.00 43.42 40.96 2jtt n LEU 48 CO 0.00 0.73 0.55 0.00 -1.33 0.00 0.00 177.39 177.34 2jtt n GLN 49 N -1.27 0.01 -0.29 3.23 6.02 0.42 -4.48 117.38 121.02 2jtt n GLN 49 Ca 0.17 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.24 2jtt n GLN 49 Cb 0.69 -1.51 0.22 0.00 1.02 0.00 0.00 30.24 30.66 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 0.52 0.25 1.08 3.58 -1.89 0.20 116.42 120.15 2jtt h ASP 50 Ca 0.00 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 2jtt h ASP 50 Cb 0.51 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2jtt h ASP 50 CO 0.00 0.22 -0.18 0.00 -2.88 0.00 0.00 179.24 176.39 2jtt h ALA 51 N 1.56 1.55 0.08 -0.78 0.00 -1.95 -0.91 119.26 118.80 2jtt h ALA 51 Ca 0.46 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.94 2jtt h ALA 51 Cb 0.66 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2jtt h ALA 51 CO -0.37 0.23 -1.24 0.93 0.00 0.00 0.00 179.25 178.80 2jtt h GLU 52 N 0.00 0.18 -0.37 0.00 4.39 -1.03 -3.13 114.58 114.62 2jtt h GLU 52 Ca -0.00 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.37 2jtt h GLU 52 Cb 0.36 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2jtt h GLU 52 CO 0.02 1.10 0.12 0.82 -1.16 0.00 0.00 179.01 179.92 2jtt h ILE 53 N 0.05 1.21 0.00 3.13 1.08 -0.24 0.93 117.51 123.67 2jtt h ILE 53 Ca -0.12 -0.68 -0.02 0.00 -0.39 0.00 0.00 64.86 63.65 2jtt h ILE 53 Cb 1.92 0.95 -0.00 0.00 -3.07 0.00 0.00 36.82 36.62 2jtt h ILE 53 CO 0.17 0.24 -0.08 -0.37 -0.69 0.00 0.00 178.15 177.41 2jtt h VAL 54 N 0.45 0.28 0.18 1.67 -1.51 -1.32 0.40 116.25 116.40 2jtt h VAL 54 Ca 0.12 -0.56 -0.31 0.00 -1.23 0.00 0.00 66.70 64.72 2jtt h VAL 54 Cb 0.25 1.43 0.03 0.00 -2.13 0.00 0.00 31.29 30.87 2jtt h VAL 54 CO -0.00 0.08 -1.34 0.50 -1.23 0.00 0.00 177.57 175.58 2jtt h LYS 55 N 0.00 0.52 -0.56 5.19 1.63 -1.41 -3.02 116.57 118.93 2jtt h LYS 55 Ca -0.00 -0.80 -0.06 0.00 -0.85 0.00 0.00 60.65 58.95 2jtt h LYS 55 Cb 0.42 0.28 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 2jtt h LYS 55 CO 0.01 1.37 0.11 1.25 -3.45 0.00 0.00 179.45 178.74 2jtt h LEU 56 N 0.18 0.82 -0.91 5.20 6.46 -0.34 0.29 115.31 127.01 2jtt h LEU 56 Ca -0.20 -0.16 0.06 0.00 -0.12 0.00 0.00 57.88 57.45 2jtt h LEU 56 Cb 2.03 -0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 41.68 2jtt h LEU 56 CO 0.25 0.81 0.57 -0.03 -0.62 0.00 0.00 178.44 179.43 2jtt h MET 57 N 0.83 1.03 -0.15 1.25 4.05 -1.03 -0.62 114.93 120.29 2jtt h MET 57 Ca 0.18 -0.06 -0.18 0.00 -0.28 0.00 0.00 59.70 59.35 2jtt h MET 57 Cb 0.34 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2jtt h MET 57 CO 0.00 0.68 -0.65 0.22 0.23 0.00 0.00 176.91 177.39 2jtt h ASP 58 N 1.06 0.66 0.08 1.39 3.58 -1.26 -1.75 116.42 120.19 2jtt h ASP 58 Ca 0.39 -0.39 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 2jtt h ASP 58 Cb 0.14 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2jtt h ASP 58 CO -0.16 1.14 -0.17 0.44 -2.88 0.00 0.00 179.24 177.60 2jtt h ASP 59 N 0.42 0.17 -0.22 2.28 3.32 -0.63 -0.96 116.42 120.80 2jtt h ASP 59 Ca -0.01 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 2jtt h ASP 59 Cb 1.22 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 2jtt h ASP 59 CO 0.12 0.36 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.75 2jtt h LEU 60 N 0.17 0.55 -1.59 1.55 3.38 -1.07 -3.29 115.31 115.01 2jtt h LEU 60 Ca 0.03 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2jtt h LEU 60 Cb 0.41 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2jtt h LEU 60 CO 0.03 0.89 -0.02 -0.78 0.09 0.00 0.00 178.44 178.65 2jtt h ASP 61 N 0.21 0.00 -1.15 -0.43 3.58 -0.80 -3.08 116.42 114.76 2jtt h ASP 61 Ca 0.04 0.00 0.32 0.00 0.42 0.00 0.00 57.03 57.81 2jtt h ASP 61 Cb 0.73 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.71 2jtt h ASP 61 CO 0.05 0.02 0.80 0.03 -2.88 0.00 0.00 179.24 177.26 2jtt h ARG 62 N 0.00 0.13 0.00 0.28 3.08 -1.26 -1.34 114.38 115.27 2jtt h ARG 62 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2jtt h ARG 62 Cb 0.48 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2jtt h ARG 62 CO 0.00 0.08 0.00 0.09 -1.07 0.00 0.00 179.97 179.08 2jtt n ASN 63 N -4.35 0.00 0.00 7.04 3.02 -1.16 -4.89 115.26 114.92 2jtt n ASN 63 Ca 0.26 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2jtt n ASN 63 Cb 1.14 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 40.09 2jtt n ASN 63 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2jtt n LYS 64 N -1.22 0.00 0.08 3.52 3.00 -0.51 -5.03 118.16 118.00 2jtt n LYS 64 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 2jtt n LYS 64 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.23 2jtt n LYS 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jtt n ASP 65 N 0.00 -1.15 -0.10 3.14 2.03 -1.25 -5.02 116.55 114.20 2jtt n ASP 65 Ca 0.00 0.29 -0.16 0.00 0.52 0.00 0.00 54.79 55.44 2jtt n ASP 65 Cb 0.00 1.33 -0.08 0.00 -0.72 0.00 0.00 41.12 41.65 2jtt n ASP 65 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2jtt n GLN 66 N -2.84 0.46 -4.20 -0.67 7.27 -1.26 -5.07 117.38 111.08 2jtt n GLN 66 Ca 0.00 0.13 -0.13 0.00 0.07 0.00 0.00 57.00 57.07 2jtt n GLN 66 Cb 0.00 -1.34 -0.10 0.00 2.41 0.00 0.00 30.24 31.21 2jtt n GLN 66 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2jtt s GLU 67 N -2.38 0.91 -0.49 3.69 1.03 -1.26 -4.28 118.70 115.91 2jtt s GLU 67 Ca -0.27 -1.29 -0.14 0.00 0.03 0.00 0.00 54.97 53.31 2jtt s GLU 67 Cb 0.08 -0.47 0.10 0.00 -0.80 0.00 0.00 34.13 33.04 2jtt s GLU 67 CO 0.42 0.05 0.40 0.08 -1.33 0.00 0.00 175.26 174.88 2jtt s VAL 68 N -3.01 4.89 0.53 1.83 1.01 0.83 -4.73 120.40 121.75 2jtt s VAL 68 Ca 0.10 -1.39 -0.15 0.00 0.00 0.00 0.00 61.98 60.54 2jtt s VAL 68 Cb 0.01 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 2jtt s VAL 68 CO -0.01 -0.70 0.99 0.21 0.00 0.00 0.00 175.10 175.59 2jtt s ASN 69 N 2.89 6.55 0.32 3.32 3.84 -1.26 -1.51 114.94 129.10 2jtt s ASN 69 Ca 0.04 1.54 0.08 0.00 0.21 0.00 0.00 52.86 54.72 2jtt s ASN 69 Cb -0.26 -2.50 0.80 0.00 -0.55 0.00 0.00 41.25 38.73 2jtt s ASN 69 CO 0.03 -0.63 1.79 0.15 -2.79 0.00 0.00 177.10 175.65 2jtt h PHE 70 N 0.71 0.99 -0.24 0.43 3.57 -1.96 -0.72 116.94 119.72 2jtt h PHE 70 Ca -0.46 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.06 2jtt h PHE 70 Cb 1.19 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2jtt h PHE 70 CO 0.64 0.22 0.13 0.37 -2.23 0.00 0.00 178.31 177.44 2jtt h GLN 71 N 0.71 0.33 -0.10 1.11 4.15 -1.94 -1.97 115.11 117.40 2jtt h GLN 71 Ca 0.56 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.76 2jtt h GLN 71 Cb 0.95 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.57 2jtt h GLN 71 CO -0.35 0.30 -0.70 0.93 -1.93 0.00 0.00 178.83 177.08 2jtt h GLU 72 N 0.27 0.45 -0.29 1.69 4.39 -1.68 -0.96 114.58 118.44 2jtt h GLU 72 Ca 0.08 -0.35 0.04 0.00 0.34 0.00 0.00 59.36 59.48 2jtt h GLU 72 Cb 0.07 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 2jtt h GLU 72 CO -0.01 0.98 0.05 -0.92 -1.16 0.00 0.00 179.01 177.95 2jtt h TYR 73 N 0.31 0.08 -0.09 4.33 3.20 -1.11 -0.53 116.97 123.16 2jtt h TYR 73 Ca -0.03 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.65 2jtt h TYR 73 Cb 1.27 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.55 2jtt h TYR 73 CO 0.05 0.01 -0.81 0.82 -1.64 0.00 0.00 178.16 176.59 2jtt h ILE 74 N 0.15 1.34 -0.66 1.81 2.04 -1.25 -1.48 117.51 119.45 2jtt h ILE 74 Ca 0.14 -2.14 0.09 0.00 1.00 0.00 0.00 64.86 63.95 2jtt h ILE 74 Cb 0.15 2.13 -0.07 0.00 -0.74 0.00 0.00 36.82 38.29 2jtt h ILE 74 CO -0.19 0.66 0.30 0.74 0.00 0.00 0.00 178.15 179.66 2jtt h THR 75 N 0.38 0.81 -0.31 -0.27 2.02 -1.05 -1.43 112.91 113.06 2jtt h THR 75 Ca -0.06 -0.17 -0.18 0.00 0.77 0.00 0.00 66.41 66.77 2jtt h THR 75 Cb 1.42 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2jtt h THR 75 CO 0.15 0.09 -0.50 0.15 0.37 0.00 0.00 175.52 175.78 2jtt h PHE 76 N 0.51 1.10 0.00 3.16 3.04 -1.07 -2.94 116.94 120.75 2jtt h PHE 76 Ca 0.33 -0.38 0.00 0.00 3.98 0.00 0.00 57.97 61.90 2jtt h PHE 76 Cb 0.38 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.68 2jtt h PHE 76 CO -0.13 1.21 0.00 -0.07 -2.02 0.00 0.00 178.31 177.29 2jtt h LEU 77 N 0.68 0.00 -0.88 0.59 3.38 -0.73 -0.80 115.31 117.54 2jtt h LEU 77 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2jtt h LEU 77 Cb 1.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 2jtt h LEU 77 CO 0.11 0.00 0.15 1.23 0.09 0.00 0.00 178.44 180.02 2jtt h GLY 78 N 0.25 1.05 1.30 0.83 0.00 -1.08 0.13 103.07 105.54 2jtt h GLY 78 Ca 0.00 -0.63 -0.21 0.00 0.00 0.00 0.00 47.33 46.48 2jtt h GLY 78 CO 0.00 0.59 -0.77 0.00 0.00 0.00 0.00 176.54 176.36 2jtt h ALA 79 N 1.22 0.39 0.00 3.60 0.00 -1.28 -2.43 119.26 120.76 2jtt h ALA 79 Ca 0.20 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2jtt h ALA 79 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jtt h ALA 79 CO 0.00 0.71 0.00 1.25 0.00 0.00 0.00 179.25 181.21 2jtt h LEU 80 N 0.47 0.00 0.08 0.00 5.85 -1.06 0.02 115.31 120.67 2jtt h LEU 80 Ca -0.05 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 2jtt h LEU 80 Cb 1.39 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.43 2jtt h LEU 80 CO 0.15 0.00 -0.55 0.00 -0.34 0.00 0.00 178.44 177.71 2jtt h ALA 81 N 2.05 -0.03 0.00 1.25 0.00 -0.76 -3.38 119.26 118.40 2jtt h ALA 81 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 2jtt h ALA 81 Cb 0.40 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jtt h ALA 81 CO 0.00 0.26 -0.20 1.98 0.00 0.00 0.00 179.25 181.30 2jtt h MET 82 N -0.63 0.00 -0.31 0.00 1.85 -0.94 -2.80 114.93 112.10 2jtt h MET 82 Ca -0.10 0.00 0.06 0.00 -0.61 0.00 0.00 59.70 59.04 2jtt h MET 82 Cb 1.39 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.41 2jtt h MET 82 CO 0.08 0.20 0.21 0.97 -0.40 0.00 0.00 176.91 177.97 2jtt h ILE 83 N 0.00 0.93 0.00 1.77 6.09 -1.18 -2.89 117.51 122.24 2jtt h ILE 83 Ca -0.00 -0.06 -0.11 0.00 -1.37 0.00 0.00 64.86 63.32 2jtt h ILE 83 Cb 0.44 0.75 -0.04 0.00 0.47 0.00 0.00 36.82 38.43 2jtt h ILE 83 CO 0.03 0.03 -0.11 -1.22 -3.07 0.00 0.00 178.15 173.81 2jtt n TYR 84 N -4.48 0.00 0.33 2.19 4.01 -1.06 -4.75 117.16 113.40 2jtt n TYR 84 Ca 0.04 -1.00 0.12 0.00 -0.16 0.00 0.00 57.90 56.89 2jtt n TYR 84 Cb 0.26 -1.11 0.62 0.00 -0.31 0.00 0.00 39.34 38.80 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 3.55 0.00 -0.89 7.72 7.08 -1.76 -1.04 115.58 130.23 2jtt h ASN 85 Ca 0.11 0.00 0.03 0.00 -3.08 0.00 0.00 56.30 53.37 2jtt h ASN 85 Cb 1.01 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.20 2jtt h ASN 85 CO 0.26 0.00 0.58 -0.33 -2.08 0.00 0.00 177.43 175.86 2jtt h GLU 86 N 0.00 1.09 0.00 4.14 5.08 -1.90 -1.88 114.58 121.11 2jtt h GLU 86 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2jtt h GLU 86 Cb 0.96 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2jtt h GLU 86 CO 0.00 0.72 0.00 0.00 -1.00 0.00 0.00 179.01 178.73 2jtt h ALA 87 N 1.37 1.00 -0.56 3.43 0.00 -1.52 -0.07 119.26 122.91 2jtt h ALA 87 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2jtt h ALA 87 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jtt h ALA 87 CO -0.12 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.41 2jtt n LEU 88 N -2.46 3.58 0.00 0.00 7.99 -0.75 -4.51 117.00 120.85 2jtt n LEU 88 Ca 0.02 -1.69 0.00 0.00 -0.01 0.00 0.00 56.01 54.33 2jtt n LEU 88 Cb 0.24 -0.37 0.00 0.00 -0.11 0.00 0.00 43.42 43.18 2jtt n LEU 88 CO 0.21 0.84 -0.46 0.29 -1.51 0.00 0.00 177.39 176.76 2jtt n LYS 89 N 1.50 0.00 0.00 3.23 5.02 -0.67 -5.07 118.16 122.17 2jtt n LYS 89 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 2jtt n LYS 89 Cb 0.59 -0.71 0.00 0.00 -0.02 0.00 0.00 35.03 34.89 2jtt n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29