#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 0.25 3.04 0.00 -1.26 -4.69 120.51 117.86 2jtt n ALA 2 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2jtt n ALA 2 Cb 0.00 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.13 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 -0.56 0.00 4.64 -2.05 -0.41 113.55 115.17 2jtt h SER 3 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2jtt h SER 3 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2jtt h SER 3 CO 0.00 0.00 0.17 -0.65 -0.87 0.00 0.00 176.83 175.48 2jtt h PRO 4 N 0.00 0.87 -0.09 4.77 0.11 -2.00 -2.65 132.00 133.01 2jtt h PRO 4 Ca 0.01 -0.19 -0.23 0.00 0.11 0.00 0.00 66.00 65.70 2jtt h PRO 4 Cb 0.05 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.05 2jtt h PRO 4 CO -0.00 0.80 -0.87 1.25 -0.21 0.00 0.00 178.00 178.97 2jtt h LEU 5 N 0.78 0.85 -0.69 2.35 5.85 -1.81 -3.19 115.31 119.45 2jtt h LEU 5 Ca 0.18 -0.61 0.03 0.00 0.84 0.00 0.00 57.88 58.33 2jtt h LEU 5 Cb 0.29 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2jtt h LEU 5 CO -0.00 1.40 0.43 -0.78 -0.34 0.00 0.00 178.44 179.14 2jtt h ASP 6 N 0.44 0.69 0.93 1.25 3.58 -1.10 -0.25 116.42 121.97 2jtt h ASP 6 Ca -0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2jtt h ASP 6 Cb 1.50 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.41 2jtt h ASP 6 CO 0.17 0.48 0.00 0.00 -2.88 0.00 0.00 179.24 177.01 2jtt n GLN 7 N -4.68 0.18 -0.07 0.28 10.64 -1.00 -1.29 117.38 121.44 2jtt n GLN 7 Ca 0.08 0.31 -0.11 0.00 -1.83 0.00 0.00 57.00 55.45 2jtt n GLN 7 Cb 0.10 -1.78 -0.08 0.00 -0.86 0.00 0.00 30.24 27.61 2jtt n GLN 7 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jtt h ALA 8 N 2.42 0.05 -0.52 2.61 0.00 -1.21 -3.29 119.26 119.31 2jtt h ALA 8 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2jtt h ALA 8 Cb 0.47 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2jtt h ALA 8 CO 0.00 0.18 0.26 -0.84 0.00 0.00 0.00 179.25 178.84 2jtt h ILE 9 N -1.00 1.17 0.00 0.00 3.07 -1.09 -1.83 117.51 117.84 2jtt h ILE 9 Ca -0.06 -0.47 -0.01 0.00 1.55 0.00 0.00 64.86 65.87 2jtt h ILE 9 Cb 0.74 0.50 -0.00 0.00 -0.27 0.00 0.00 36.82 37.79 2jtt h ILE 9 CO -0.04 0.19 -0.06 1.23 -1.05 0.00 0.00 178.15 178.43 2jtt h GLY 10 N 0.82 0.00 0.55 0.16 0.00 -1.38 -3.11 103.07 100.11 2jtt h GLY 10 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 2jtt h GLY 10 CO -0.03 0.00 -0.19 -2.00 0.00 0.00 0.00 176.54 174.32 2jtt h LEU 11 N 0.00 -0.45 -1.33 3.11 7.12 -1.40 -3.14 115.31 119.21 2jtt h LEU 11 Ca -0.00 -0.12 0.10 0.00 0.13 0.00 0.00 57.88 57.99 2jtt h LEU 11 Cb 0.27 0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 40.46 2jtt h LEU 11 CO 0.01 -0.03 0.52 -0.07 -0.13 0.00 0.00 178.44 178.74 2jtt h LEU 12 N -0.99 0.67 -0.50 2.25 4.07 -1.57 -0.63 115.31 118.62 2jtt h LEU 12 Ca -0.05 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 2jtt h LEU 12 Cb 0.54 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 2jtt h LEU 12 CO 0.09 0.40 0.27 0.40 -1.08 0.00 0.00 178.44 178.51 2jtt h ILE 13 N 0.74 1.17 -0.02 1.22 2.04 -1.61 -1.75 117.51 119.31 2jtt h ILE 13 Ca 0.37 -0.45 -0.20 0.00 1.00 0.00 0.00 64.86 65.58 2jtt h ILE 13 Cb 0.45 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2jtt h ILE 13 CO -0.14 0.19 -0.85 1.23 0.00 0.00 0.00 178.15 178.57 2jtt h GLY 14 N 0.66 0.34 0.73 5.37 0.00 -1.26 -0.25 103.07 108.66 2jtt h GLY 14 Ca 0.17 -0.57 0.03 0.00 0.00 0.00 0.00 47.33 46.97 2jtt h GLY 14 CO -0.03 0.50 0.07 -2.22 0.00 0.00 0.00 176.54 174.86 2jtt h ILE 15 N 0.18 0.90 0.19 2.60 1.08 -1.09 -2.70 117.51 118.68 2jtt h ILE 15 Ca -0.05 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 2jtt h ILE 15 Cb 1.47 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 2jtt h ILE 15 CO 0.14 0.03 -0.09 0.15 -0.69 0.00 0.00 178.15 177.69 2jtt h PHE 16 N 0.17 -0.24 0.00 1.37 3.04 -1.26 -3.35 116.94 116.66 2jtt h PHE 16 Ca 0.12 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.06 2jtt h PHE 16 Cb 0.11 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.70 2jtt h PHE 16 CO -0.15 0.17 -0.02 1.25 -2.02 0.00 0.00 178.31 177.54 2jtt h HIS 17 N -0.77 0.00 -0.97 0.41 2.76 -1.08 -1.84 115.15 113.66 2jtt h HIS 17 Ca -0.03 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.28 2jtt h HIS 17 Cb 0.51 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.39 2jtt h HIS 17 CO 0.06 0.02 0.61 -0.22 -1.30 0.00 0.00 177.93 177.11 2jtt h LYS 18 N 0.00 0.86 0.01 5.26 3.64 -1.61 -0.14 116.57 124.58 2jtt h LYS 18 Ca -0.00 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.09 2jtt h LYS 18 Cb 0.54 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2jtt h LYS 18 CO 0.00 0.57 -1.23 1.88 -2.27 0.00 0.00 179.45 178.40 2jtt h TYR 19 N 0.88 0.04 -0.23 1.91 -1.99 -1.51 -3.22 116.97 112.85 2jtt h TYR 19 Ca 0.49 -0.03 -0.03 0.00 2.00 0.00 0.00 58.73 61.16 2jtt h TYR 19 Cb 0.59 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.31 2jtt h TYR 19 CO -0.00 1.03 0.02 0.77 -0.00 0.00 0.00 178.16 179.97 2jtt h SER 20 N 0.01 0.38 0.68 3.88 0.02 -1.32 -3.26 113.55 113.94 2jtt h SER 20 Ca -0.10 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2jtt h SER 20 Cb 1.86 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.29 2jtt h SER 20 CO 0.12 0.57 0.00 0.61 -1.14 0.00 0.00 176.83 176.99 2jtt n GLY 21 N -0.38 -1.22 0.30 -3.77 0.00 -0.09 -1.24 105.19 98.78 2jtt n GLY 21 Ca -0.04 0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 1.03 0.00 1.61 3.64 -1.59 -3.16 116.57 118.10 2jtt h LYS 22 Ca 0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2jtt h LYS 22 Cb 0.34 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2jtt h LYS 22 CO 0.00 0.79 -1.43 0.39 -2.27 0.00 0.00 179.45 176.93 2jtt n GLU 23 N -4.44 0.58 -0.32 1.90 -0.58 -0.89 -5.00 120.64 111.90 2jtt n GLU 23 Ca 0.06 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2jtt n GLU 23 Cb 0.11 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 2jtt n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jtt n GLY 24 N 1.24 0.81 3.82 0.62 0.00 -0.38 -5.10 105.19 106.21 2jtt n GLY 24 Ca -0.01 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 2jtt n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jtt s ASP 25 N -2.25 5.36 0.00 1.61 1.01 -0.53 -4.92 116.67 116.94 2jtt s ASP 25 Ca 0.00 1.62 0.00 0.00 0.71 0.00 0.00 52.55 54.88 2jtt s ASP 25 Cb 0.00 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.44 2jtt s ASP 25 CO 0.00 -1.46 0.00 0.29 0.21 0.00 0.00 175.17 174.21 2jtt n LYS 26 N -3.14 1.21 -0.24 8.23 4.76 -1.26 -4.34 118.16 123.37 2jtt n LYS 26 Ca 0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2jtt n LYS 26 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 2jtt n LYS 26 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2jtt n HIS 27 N 0.00 0.00 -3.89 2.13 1.44 -1.26 -4.79 115.22 108.85 2jtt n HIS 27 Ca 0.00 -0.59 -0.09 0.00 -2.01 0.00 0.00 57.72 55.03 2jtt n HIS 27 Cb 0.00 -0.36 -0.08 0.00 0.12 0.00 0.00 29.99 29.67 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 0.53 0.14 0.20 0.61 -4.23 -1.26 -1.16 115.64 110.48 2jtt s THR 28 Ca 0.00 -1.19 -0.22 0.00 -1.18 0.00 0.00 61.69 59.09 2jtt s THR 28 Cb 0.00 -1.25 0.05 0.00 1.34 0.00 0.00 72.50 72.64 2jtt s THR 28 CO 0.00 -0.66 0.67 -1.48 -0.54 0.00 0.00 174.62 172.61 2jtt s LEU 29 N -2.67 -0.43 0.56 4.79 0.05 -0.47 -4.60 118.68 115.92 2jtt s LEU 29 Ca 0.03 -0.26 -0.15 0.00 0.05 0.00 0.00 54.13 53.79 2jtt s LEU 29 Cb 0.04 2.63 -0.06 0.00 -2.05 0.00 0.00 46.19 46.74 2jtt s LEU 29 CO -0.09 -1.11 1.01 -0.94 -0.55 0.00 0.00 176.35 174.67 2jtt s SER 30 N -2.82 6.34 0.57 1.48 1.04 -1.26 0.12 113.70 119.18 2jtt s SER 30 Ca 0.05 1.60 0.31 0.00 0.48 0.00 0.00 55.95 58.39 2jtt s SER 30 Cb -0.03 -2.51 1.76 0.00 0.10 0.00 0.00 66.02 65.34 2jtt s SER 30 CO -0.04 -0.79 2.20 0.07 0.98 0.00 0.00 173.24 175.66 2jtt h LYS 31 N 0.55 0.00 -0.16 4.02 2.10 -1.65 0.78 116.57 122.21 2jtt h LYS 31 Ca -0.46 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.09 2jtt h LYS 31 Cb 1.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2jtt h LYS 31 CO 0.61 0.04 -0.28 -0.22 -2.00 0.00 0.00 179.45 177.60 2jtt h LYS 32 N 0.00 0.48 -0.07 0.07 3.64 -1.93 -2.68 116.57 116.08 2jtt h LYS 32 Ca -0.00 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 59.00 2jtt h LYS 32 Cb 0.14 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2jtt h LYS 32 CO 0.01 0.90 -0.33 1.49 -2.27 0.00 0.00 179.45 179.25 2jtt h GLU 33 N 0.11 0.14 -0.14 1.90 4.57 -1.71 -1.53 114.58 117.93 2jtt h GLU 33 Ca 0.01 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2jtt h GLU 33 Cb 0.87 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 2jtt h GLU 33 CO 0.06 0.46 0.06 1.25 -1.18 0.00 0.00 179.01 179.66 2jtt h LEU 34 N 0.12 0.08 -1.35 1.64 7.12 -0.91 -0.25 115.31 121.77 2jtt h LEU 34 Ca 0.02 0.01 -0.05 0.00 0.13 0.00 0.00 57.88 57.98 2jtt h LEU 34 Cb 0.64 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.75 2jtt h LEU 34 CO 0.05 0.07 -0.10 0.50 -0.13 0.00 0.00 178.44 178.83 2jtt h LYS 35 N 0.13 0.31 -0.51 1.25 3.64 -1.09 -1.67 116.57 118.64 2jtt h LYS 35 Ca 0.06 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2jtt h LYS 35 Cb 0.02 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2jtt h LYS 35 CO -0.05 0.43 0.28 1.49 -2.27 0.00 0.00 179.45 179.33 2jtt h GLU 36 N 0.30 0.71 -0.12 1.90 4.57 -0.81 -0.07 114.58 121.05 2jtt h GLU 36 Ca 0.06 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 2jtt h GLU 36 Cb 0.37 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.77 2jtt h GLU 36 CO 0.02 0.55 -0.15 1.25 -1.18 0.00 0.00 179.01 179.50 2jtt h LEU 37 N 0.68 -0.47 -0.29 1.64 6.46 -0.61 -1.18 115.31 121.54 2jtt h LEU 37 Ca 0.18 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 2jtt h LEU 37 Cb 0.05 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 2jtt h LEU 37 CO -0.03 -0.20 0.13 0.40 -0.62 0.00 0.00 178.44 178.12 2jtt h ILE 38 N -0.19 1.17 0.00 4.05 2.04 -1.01 0.61 117.51 124.17 2jtt h ILE 38 Ca 0.09 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 2jtt h ILE 38 Cb 0.32 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2jtt h ILE 38 CO -0.24 0.17 -0.28 1.56 0.00 0.00 0.00 178.15 179.36 2jtt h GLN 39 N 0.33 0.00 0.15 2.37 4.20 -0.93 0.51 115.11 121.74 2jtt h GLN 39 Ca 0.10 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.46 2jtt h GLN 39 Cb 0.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2jtt h GLN 39 CO -0.01 0.28 -1.84 0.87 -0.67 0.00 0.00 178.83 177.47 2jtt h LYS 40 N 0.00 0.31 0.00 1.46 6.56 -1.11 -3.39 116.57 120.40 2jtt h LYS 40 Ca -0.00 -0.53 -0.05 0.00 -1.06 0.00 0.00 60.65 59.00 2jtt h LYS 40 Cb 1.02 0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 32.87 2jtt h LYS 40 CO 0.04 1.22 -0.50 0.93 -2.06 0.00 0.00 179.45 179.08 2jtt h GLU 41 N 0.09 0.00 -1.88 3.15 4.39 -0.92 -3.41 114.58 116.00 2jtt h GLU 41 Ca -0.37 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.80 2jtt h GLU 41 Cb 2.06 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 30.52 2jtt h GLU 41 CO 0.14 0.35 0.54 1.28 -1.16 0.00 0.00 179.01 180.16 2jtt n LEU 42 N -4.61 6.73 -4.52 1.33 4.77 0.17 -4.96 117.00 115.90 2jtt n LEU 42 Ca -0.12 -4.11 -0.38 0.00 -0.03 0.00 0.00 56.01 51.37 2jtt n LEU 42 Cb 0.32 -1.17 -0.09 0.00 -2.33 0.00 0.00 43.42 40.15 2jtt n LEU 42 CO 0.13 1.65 2.13 0.35 -1.33 0.00 0.00 177.39 180.32 2jtt n THR 43 N 0.45 -0.04 0.77 -5.08 -2.24 -1.24 -4.74 114.28 102.16 2jtt n THR 43 Ca 0.48 -0.38 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 2jtt n THR 43 Cb 0.50 -1.59 0.50 0.00 -2.10 0.00 0.00 70.33 67.65 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 7.74 0.38 0.00 2.28 -0.00 -1.26 -4.96 119.36 123.53 2jtt n ILE 44 Ca 0.52 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 63.25 2jtt n ILE 44 Cb 0.27 -0.65 0.00 0.00 -0.00 0.00 0.00 39.64 39.26 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 1.10 1.29 3.63 3.28 0.00 -1.26 -4.90 105.19 108.33 2jtt n GLY 45 Ca 0.06 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 6.84 0.45 1.61 0.15 -1.26 -4.94 113.70 116.55 2jtt s SER 46 Ca 0.00 0.94 0.31 0.00 0.70 0.00 0.00 55.95 57.89 2jtt s SER 46 Cb 0.00 -2.49 1.46 0.00 -1.71 0.00 0.00 66.02 63.28 2jtt s SER 46 CO 0.00 -0.74 1.93 0.11 1.20 0.00 0.00 173.24 175.74 2jtt h LYS 47 N 8.01 0.00 0.00 5.44 6.56 -2.04 -2.33 116.57 132.21 2jtt h LYS 47 Ca -0.22 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.37 2jtt h LYS 47 Cb 1.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 2jtt h LYS 47 CO 0.96 0.00 0.00 -0.07 -2.06 0.00 0.00 179.45 178.28 2jtt h LEU 48 N 0.00 0.00 -0.29 2.94 -0.00 -1.99 -2.62 115.31 113.34 2jtt h LEU 48 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2jtt h LEU 48 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 2jtt h LEU 48 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 2jtt n GLN 49 N -2.98 0.16 -0.13 1.13 1.13 -0.88 -3.99 117.38 111.83 2jtt n GLN 49 Ca 0.00 0.28 0.15 0.00 -1.94 0.00 0.00 57.00 55.49 2jtt n GLN 49 Cb 0.25 -1.75 0.53 0.00 0.11 0.00 0.00 30.24 29.38 2jtt n GLN 49 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 2jtt h ASP 50 N 0.00 0.34 0.14 1.08 3.58 -1.67 0.86 116.42 120.75 2jtt h ASP 50 Ca 0.00 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2jtt h ASP 50 Cb 0.48 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 2jtt h ASP 50 CO 0.00 0.18 -0.10 0.00 -2.88 0.00 0.00 179.24 176.44 2jtt h ALA 51 N 1.67 1.65 0.20 -0.78 0.00 -1.83 0.14 119.26 120.31 2jtt h ALA 51 Ca 0.34 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.88 2jtt h ALA 51 Cb 0.80 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.61 2jtt h ALA 51 CO -0.09 0.12 -1.24 0.93 0.00 0.00 0.00 179.25 178.96 2jtt h GLU 52 N 0.00 0.42 -0.49 0.00 4.39 -1.14 -3.29 114.58 114.47 2jtt h GLU 52 Ca -0.00 -0.72 -0.06 0.00 0.34 0.00 0.00 59.36 58.92 2jtt h GLU 52 Cb 0.20 0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2jtt h GLU 52 CO 0.01 1.34 0.06 0.82 -1.16 0.00 0.00 179.01 180.09 2jtt h ILE 53 N -0.09 1.23 -0.06 3.13 1.08 -0.60 -1.09 117.51 121.12 2jtt h ILE 53 Ca -0.22 -0.88 -0.08 0.00 -0.39 0.00 0.00 64.86 63.28 2jtt h ILE 53 Cb 1.94 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 36.46 2jtt h ILE 53 CO 0.21 0.32 -0.33 -0.37 -0.69 0.00 0.00 178.15 177.28 2jtt h VAL 54 N 0.74 1.26 -0.01 1.67 -1.51 -0.90 0.96 116.25 118.46 2jtt h VAL 54 Ca 0.16 -1.24 -0.17 0.00 -1.23 0.00 0.00 66.70 64.22 2jtt h VAL 54 Cb 0.36 1.59 -0.02 0.00 -2.13 0.00 0.00 31.29 31.09 2jtt h VAL 54 CO 0.01 0.36 -0.77 0.50 -1.23 0.00 0.00 177.57 176.45 2jtt h LYS 55 N 0.10 0.10 -0.54 5.19 1.63 -1.48 -1.15 116.57 120.43 2jtt h LYS 55 Ca 0.01 -0.10 -0.11 0.00 -0.85 0.00 0.00 60.65 59.60 2jtt h LYS 55 Cb 0.64 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 2jtt h LYS 55 CO 0.05 0.82 -0.09 1.25 -3.45 0.00 0.00 179.45 178.02 2jtt h LEU 56 N 0.06 1.02 -1.16 5.20 6.46 -0.88 -2.47 115.31 123.55 2jtt h LEU 56 Ca -0.02 -0.35 -0.05 0.00 -0.12 0.00 0.00 57.88 57.34 2jtt h LEU 56 Cb 1.34 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 2jtt h LEU 56 CO 0.11 1.13 0.01 -0.03 -0.62 0.00 0.00 178.44 179.03 2jtt h MET 57 N 0.90 0.59 0.00 1.25 4.05 -0.71 -0.77 114.93 120.23 2jtt h MET 57 Ca 0.14 -0.13 -0.05 0.00 -0.28 0.00 0.00 59.70 59.38 2jtt h MET 57 Cb 0.66 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 2jtt h MET 57 CO 0.05 0.61 -0.25 0.22 0.23 0.00 0.00 176.91 177.76 2jtt h ASP 58 N 0.56 0.00 1.26 1.39 3.58 -1.11 0.34 116.42 122.45 2jtt h ASP 58 Ca 0.12 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.42 2jtt h ASP 58 Cb 0.35 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 2jtt h ASP 58 CO 0.01 0.25 -0.75 -0.78 -2.88 0.00 0.00 179.24 175.10 2jtt h ASP 59 N 0.00 0.00 0.13 2.28 3.58 -0.84 -2.34 116.42 119.24 2jtt h ASP 59 Ca -0.00 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.26 2jtt h ASP 59 Cb 0.47 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 2jtt h ASP 59 CO 0.03 0.69 -0.69 -0.07 -2.88 0.00 0.00 179.24 176.33 2jtt h LEU 60 N 0.00 0.59 -1.74 2.28 3.38 -0.89 -2.92 115.31 116.02 2jtt h LEU 60 Ca -0.02 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 2jtt h LEU 60 Cb 1.54 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2jtt h LEU 60 CO 0.09 1.11 -0.17 -0.78 0.09 0.00 0.00 178.44 178.78 2jtt h ASP 61 N 0.36 0.00 0.27 -0.43 1.82 -0.95 -2.53 116.42 114.96 2jtt h ASP 61 Ca -0.02 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.57 2jtt h ASP 61 Cb 1.26 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.26 2jtt h ASP 61 CO 0.12 0.17 -0.24 -0.09 -1.61 0.00 0.00 179.24 177.60 2jtt h ARG 62 N 0.00 0.00 0.01 0.28 9.65 -1.21 -2.39 114.38 120.71 2jtt h ARG 62 Ca -0.00 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.65 2jtt h ARG 62 Cb 0.34 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 2jtt h ARG 62 CO 0.02 0.24 -0.96 -0.91 2.80 0.00 0.00 179.97 181.15 2jtt h ASN 63 N 0.00 0.53 -2.28 -3.80 4.21 -1.45 -3.45 115.58 109.34 2jtt h ASN 63 Ca -0.00 -0.43 0.02 0.00 1.21 0.00 0.00 56.30 57.09 2jtt h ASN 63 Cb 0.43 -0.16 -0.22 0.00 -1.12 0.00 0.00 38.32 37.25 2jtt h ASN 63 CO 0.03 1.24 -0.18 -0.75 -1.29 0.00 0.00 177.43 176.48 2jtt s LYS 64 N -3.23 0.52 0.21 0.81 2.36 -1.04 -5.00 119.74 114.37 2jtt s LYS 64 Ca -0.06 1.30 -0.32 0.00 -2.55 0.00 0.00 55.97 54.35 2jtt s LYS 64 Cb 0.09 0.63 -0.11 0.00 -1.05 0.00 0.00 37.83 37.38 2jtt s LYS 64 CO 0.87 -0.21 1.67 0.16 1.55 0.00 0.00 175.35 179.39 2jtt s ASP 65 N 2.64 6.43 0.00 1.43 -4.77 -0.93 -4.11 116.67 117.36 2jtt s ASP 65 Ca -0.05 2.81 0.00 0.00 -3.30 0.00 0.00 52.55 52.01 2jtt s ASP 65 Cb -0.11 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 2jtt s ASP 65 CO -0.17 -0.93 0.00 0.00 0.70 0.00 0.00 175.17 174.77 2jtt n GLN 66 N 3.78 0.00 -4.00 2.11 6.02 -1.26 -4.76 117.38 119.27 2jtt n GLN 66 Ca 0.14 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.83 2jtt n GLN 66 Cb 0.36 -0.12 -0.16 0.00 1.02 0.00 0.00 30.24 31.34 2jtt n GLN 66 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2jtt s GLU 67 N 0.00 2.08 -0.27 -1.09 2.12 -1.26 -1.56 118.70 118.72 2jtt s GLU 67 Ca 0.00 -0.79 -0.22 0.00 0.36 0.00 0.00 54.97 54.31 2jtt s GLU 67 Cb 0.00 -2.36 -0.01 0.00 0.26 0.00 0.00 34.13 32.02 2jtt s GLU 67 CO 0.00 -0.39 0.72 0.08 -0.54 0.00 0.00 175.26 175.13 2jtt s VAL 68 N 1.41 4.89 0.37 3.70 1.01 0.12 -4.75 120.40 127.15 2jtt s VAL 68 Ca -0.00 1.22 -0.17 0.00 0.00 0.00 0.00 61.98 63.03 2jtt s VAL 68 Cb -0.16 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.08 2jtt s VAL 68 CO -0.09 -0.10 0.82 0.21 0.00 0.00 0.00 175.10 175.94 2jtt s ASN 69 N 1.50 6.82 0.27 3.32 3.84 -1.26 -1.36 114.94 128.06 2jtt s ASN 69 Ca 0.30 1.42 -0.00 0.00 0.21 0.00 0.00 52.86 54.79 2jtt s ASN 69 Cb -0.15 -2.43 0.56 0.00 -0.55 0.00 0.00 41.25 38.68 2jtt s ASN 69 CO 0.10 -0.28 1.75 0.15 -2.79 0.00 0.00 177.10 176.03 2jtt h PHE 70 N 2.06 0.74 -0.51 0.43 3.57 -1.52 -0.69 116.94 121.03 2jtt h PHE 70 Ca -0.48 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.00 2jtt h PHE 70 Cb 1.18 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 2jtt h PHE 70 CO 0.62 0.15 0.13 0.37 -2.23 0.00 0.00 178.31 177.34 2jtt h GLN 71 N 0.59 0.82 0.00 1.11 4.15 -1.95 -2.46 115.11 117.36 2jtt h GLN 71 Ca 0.47 -0.19 -0.09 0.00 0.77 0.00 0.00 58.65 59.61 2jtt h GLN 71 Cb 0.71 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 2jtt h GLN 71 CO -0.39 0.78 -0.44 0.93 -1.93 0.00 0.00 178.83 177.78 2jtt h GLU 72 N 0.71 0.00 -0.26 1.69 3.07 -1.73 -0.18 114.58 117.87 2jtt h GLU 72 Ca 0.16 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.97 2jtt h GLU 72 Cb 0.33 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2jtt h GLU 72 CO 0.00 0.44 -0.02 -0.92 -1.40 0.00 0.00 179.01 177.11 2jtt h TYR 73 N 0.00 0.53 -0.09 4.33 3.20 -1.05 -2.45 116.97 121.44 2jtt h TYR 73 Ca -0.00 -0.10 -0.12 0.00 3.14 0.00 0.00 58.73 61.64 2jtt h TYR 73 Cb 0.96 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 2jtt h TYR 73 CO 0.00 0.66 -0.49 0.82 -1.64 0.00 0.00 178.16 177.51 2jtt h ILE 74 N 0.25 1.34 -0.89 1.81 2.04 -1.18 -2.20 117.51 118.68 2jtt h ILE 74 Ca 0.07 -1.71 0.05 0.00 1.00 0.00 0.00 64.86 64.27 2jtt h ILE 74 Cb 0.46 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 2jtt h ILE 74 CO 0.02 0.51 0.58 0.74 0.00 0.00 0.00 178.15 180.00 2jtt h THR 75 N 0.19 1.11 -0.33 -0.27 2.02 -1.01 -0.02 112.91 114.61 2jtt h THR 75 Ca 0.01 -0.36 -0.14 0.00 0.77 0.00 0.00 66.41 66.69 2jtt h THR 75 Cb 0.93 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2jtt h THR 75 CO 0.08 0.19 -0.32 0.15 0.37 0.00 0.00 175.52 175.99 2jtt h PHE 76 N 1.06 0.96 -0.06 3.16 3.57 -1.17 -2.84 116.94 121.61 2jtt h PHE 76 Ca 0.37 -0.29 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2jtt h PHE 76 Cb 0.10 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 2jtt h PHE 76 CO -0.00 1.07 0.05 -0.07 -2.23 0.00 0.00 178.31 177.13 2jtt h LEU 77 N 0.57 0.00 -1.50 0.59 3.38 -0.75 -0.25 115.31 117.35 2jtt h LEU 77 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2jtt h LEU 77 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2jtt h LEU 77 CO 0.08 0.00 -0.25 1.23 0.09 0.00 0.00 178.44 179.59 2jtt h GLY 78 N 0.00 0.00 0.70 0.83 0.00 -0.78 -0.65 103.07 103.17 2jtt h GLY 78 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.14 2jtt h GLY 78 CO -0.00 0.00 -0.99 0.00 0.00 0.00 0.00 176.54 175.55 2jtt h ALA 79 N 1.75 -0.04 -0.77 3.60 0.00 -1.00 -3.37 119.26 119.43 2jtt h ALA 79 Ca -0.00 -0.79 0.11 0.00 0.00 0.00 0.00 54.91 54.23 2jtt h ALA 79 Cb 0.53 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 2jtt h ALA 79 CO 0.03 0.49 0.38 1.25 0.00 0.00 0.00 179.25 181.41 2jtt h LEU 80 N -0.32 0.48 -2.06 0.00 5.85 -0.94 -0.52 115.31 117.80 2jtt h LEU 80 Ca -0.18 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.72 2jtt h LEU 80 Cb 1.71 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.72 2jtt h LEU 80 CO 0.14 0.25 0.34 0.00 -0.34 0.00 0.00 178.44 178.83 2jtt h ALA 81 N 1.48 2.19 0.04 1.25 0.00 -1.28 -1.71 119.26 121.23 2jtt h ALA 81 Ca 0.39 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.06 2jtt h ALA 81 Cb 0.47 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2jtt h ALA 81 CO -0.31 -0.54 -1.09 0.52 0.00 0.00 0.00 179.25 177.84 2jtt h MET 82 N 0.00 0.08 -0.24 0.00 2.86 -1.24 -3.19 114.93 113.19 2jtt h MET 82 Ca 0.18 -0.14 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 2jtt h MET 82 Cb 0.86 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 2jtt h MET 82 CO -0.00 1.05 -0.39 0.82 1.06 0.00 0.00 176.91 179.45 2jtt h ILE 83 N 0.02 1.30 0.00 -1.22 5.03 -1.26 -3.31 117.51 118.07 2jtt h ILE 83 Ca -0.05 -1.55 0.00 0.00 -0.12 0.00 0.00 64.86 63.14 2jtt h ILE 83 Cb 1.84 1.53 0.00 0.00 -3.03 0.00 0.00 36.82 37.16 2jtt h ILE 83 CO 0.15 0.49 0.00 -1.22 -0.68 0.00 0.00 178.15 176.89 2jtt n TYR 84 N -4.04 0.00 0.22 1.37 4.02 -0.75 -4.73 117.16 113.26 2jtt n TYR 84 Ca -0.02 -0.57 0.18 0.00 -0.01 0.00 0.00 57.90 57.48 2jtt n TYR 84 Cb 0.51 -0.38 0.80 0.00 -0.02 0.00 0.00 39.34 40.25 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 2.13 0.00 0.50 7.72 7.08 -1.74 -2.00 115.58 129.27 2jtt h ASN 85 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2jtt h ASN 85 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.83 2jtt h ASN 85 CO 0.00 0.00 0.00 -0.33 -2.08 0.00 0.00 177.43 175.02 2jtt h GLU 86 N 0.00 0.00 0.00 4.14 5.08 -1.94 -2.26 114.58 119.60 2jtt h GLU 86 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2jtt h GLU 86 Cb 0.79 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2jtt h GLU 86 CO -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 178.00 2jtt h ALA 87 N 2.02 1.14 0.00 3.43 0.00 -1.73 0.63 119.26 124.75 2jtt h ALA 87 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jtt h ALA 87 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jtt h ALA 87 CO 0.00 0.01 -0.82 -0.07 0.00 0.00 0.00 179.25 178.37 2jtt h LEU 88 N 0.00 0.00 0.07 0.00 4.07 -1.64 -3.36 115.31 114.45 2jtt h LEU 88 Ca -0.00 -0.04 -0.30 0.00 0.08 0.00 0.00 57.88 57.62 2jtt h LEU 88 Cb 0.08 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 2jtt h LEU 88 CO 0.00 0.02 -1.62 0.50 -1.08 0.00 0.00 178.44 176.27 2jtt h LYS 89 N 0.00 0.15 0.00 1.13 3.64 -1.38 -3.54 116.57 116.58 2jtt h LYS 89 Ca 0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2jtt h LYS 89 Cb 0.95 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2jtt h LYS 89 CO 0.00 1.13 0.00 0.41 -2.27 0.00 0.00 179.45 178.72