#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 1.67 -0.33 3.04 0.00 -1.26 -5.06 120.51 118.57 2jtt n ALA 2 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.43 2jtt n ALA 2 Cb 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 19.45 19.55 2jtt n ALA 2 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jtt n SER 3 N 0.00 -0.32 -0.06 0.00 3.41 -1.26 -0.70 113.62 114.68 2jtt n SER 3 Ca 0.00 1.57 -0.04 0.00 -0.26 0.00 0.00 58.87 60.13 2jtt n SER 3 Cb 0.51 -0.48 0.17 0.00 -0.26 0.00 0.00 64.21 64.16 2jtt n SER 3 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2jtt h PRO 4 N 0.00 0.69 0.23 4.33 0.13 -2.00 -1.52 132.00 133.86 2jtt h PRO 4 Ca 0.44 -0.21 -0.34 0.00 -0.87 0.00 0.00 66.00 65.02 2jtt h PRO 4 Cb 0.68 -0.07 0.03 0.00 0.13 0.00 0.00 31.00 31.77 2jtt h PRO 4 CO -0.94 0.77 -1.52 1.25 -0.23 0.00 0.00 178.00 177.33 2jtt h LEU 5 N 0.63 0.77 -1.18 1.56 5.85 -1.68 -3.30 115.31 117.97 2jtt h LEU 5 Ca 0.11 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 57.96 2jtt h LEU 5 Cb 0.53 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2jtt h LEU 5 CO 0.03 1.70 0.50 -0.78 -0.34 0.00 0.00 178.44 179.55 2jtt h ASP 6 N 0.13 0.93 1.11 1.25 3.58 -0.78 0.61 116.42 123.26 2jtt h ASP 6 Ca -0.27 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.09 2jtt h ASP 6 Cb 2.15 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.95 2jtt h ASP 6 CO 0.25 0.69 -0.27 0.06 -2.88 0.00 0.00 179.24 177.10 2jtt h GLN 7 N 1.08 0.00 0.03 0.28 3.07 -1.44 -0.94 115.11 117.20 2jtt h GLN 7 Ca 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.98 2jtt h GLN 7 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.48 2jtt h GLN 7 CO -0.06 0.27 -0.24 0.00 0.09 0.00 0.00 178.83 178.90 2jtt h ALA 8 N 1.73 -0.01 -0.43 0.06 0.00 -1.27 -1.95 119.26 117.39 2jtt h ALA 8 Ca -0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 2jtt h ALA 8 Cb 0.90 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2jtt h ALA 8 CO 0.04 0.12 0.11 -0.84 0.00 0.00 0.00 179.25 178.67 2jtt h ILE 9 N -0.86 1.19 0.00 0.00 3.07 -1.03 -1.38 117.51 118.51 2jtt h ILE 9 Ca -0.05 -0.67 -0.03 0.00 1.55 0.00 0.00 64.86 65.66 2jtt h ILE 9 Cb 1.16 0.75 -0.00 0.00 -0.27 0.00 0.00 36.82 38.45 2jtt h ILE 9 CO 0.03 0.25 -0.15 1.23 -1.05 0.00 0.00 178.15 178.45 2jtt h GLY 10 N 0.84 0.00 0.60 0.16 0.00 -1.26 -1.31 103.07 102.09 2jtt h GLY 10 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 2jtt h GLY 10 CO -0.00 0.00 -0.01 -2.00 0.00 0.00 0.00 176.54 174.53 2jtt h LEU 11 N 0.00 0.03 -0.69 3.11 7.12 -0.43 0.13 115.31 124.57 2jtt h LEU 11 Ca -0.00 -0.42 0.03 0.00 0.13 0.00 0.00 57.88 57.62 2jtt h LEU 11 Cb 0.32 -0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 40.40 2jtt h LEU 11 CO 0.02 0.44 0.43 -0.07 -0.13 0.00 0.00 178.44 179.13 2jtt h LEU 12 N -0.38 0.71 -0.47 2.25 4.07 -1.18 0.91 115.31 121.22 2jtt h LEU 12 Ca 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.88 2jtt h LEU 12 Cb 0.43 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 2jtt h LEU 12 CO 0.00 0.49 -0.04 0.40 -1.08 0.00 0.00 178.44 178.21 2jtt h ILE 13 N 0.85 1.27 -0.32 1.22 2.04 -1.26 -2.00 117.51 119.30 2jtt h ILE 13 Ca 0.28 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 2jtt h ILE 13 Cb 0.02 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2jtt h ILE 13 CO -0.11 0.39 -0.02 1.23 0.00 0.00 0.00 178.15 179.65 2jtt h GLY 14 N 0.71 0.62 1.53 5.37 0.00 -0.47 -0.25 103.07 110.59 2jtt h GLY 14 Ca 0.13 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 2jtt h GLY 14 CO 0.03 0.43 -0.15 -2.22 0.00 0.00 0.00 176.54 174.64 2jtt h ILE 15 N 0.37 1.25 0.26 2.60 2.04 -0.88 -1.57 117.51 121.57 2jtt h ILE 15 Ca 0.09 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 2jtt h ILE 15 Cb 0.47 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2jtt h ILE 15 CO 0.02 0.37 -0.12 0.15 0.00 0.00 0.00 178.15 178.56 2jtt h PHE 16 N 0.51 -0.32 0.00 1.37 3.04 -1.15 -3.29 116.94 117.10 2jtt h PHE 16 Ca 0.09 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.96 2jtt h PHE 16 Cb 0.56 0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.16 2jtt h PHE 16 CO 0.02 -0.01 -0.32 1.25 -2.02 0.00 0.00 178.31 177.23 2jtt h HIS 17 N -0.64 0.00 -0.49 0.41 2.76 -1.02 -2.58 115.15 113.59 2jtt h HIS 17 Ca -0.04 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.23 2jtt h HIS 17 Cb 0.45 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.33 2jtt h HIS 17 CO 0.02 0.32 -0.00 -0.22 -1.30 0.00 0.00 177.93 176.74 2jtt h LYS 18 N 0.00 0.11 0.15 5.26 3.64 -1.36 -1.16 116.57 123.22 2jtt h LYS 18 Ca -0.00 -0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 59.07 2jtt h LYS 18 Cb 0.71 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2jtt h LYS 18 CO 0.04 0.07 -1.42 1.88 -2.27 0.00 0.00 179.45 177.76 2jtt h TYR 19 N 0.11 0.58 -0.05 1.91 -1.99 -1.54 -3.27 116.97 112.73 2jtt h TYR 19 Ca 0.25 -0.43 -0.08 0.00 2.00 0.00 0.00 58.73 60.47 2jtt h TYR 19 Cb 0.37 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 2jtt h TYR 19 CO -0.31 1.39 -0.35 0.66 -0.00 0.00 0.00 178.16 179.55 2jtt h SER 20 N 0.09 0.09 0.40 3.88 4.64 -1.52 -3.00 113.55 118.14 2jtt h SER 20 Ca -0.21 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2jtt h SER 20 Cb 2.03 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 2jtt h SER 20 CO 0.20 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 2jtt n GLY 21 N -0.45 -0.90 0.17 -0.77 0.00 -0.44 -1.38 105.19 101.42 2jtt n GLY 21 Ca -0.02 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2jtt n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jtt h LYS 22 N 0.00 -0.33 -0.00 1.61 1.57 -1.58 -3.17 116.57 114.67 2jtt h LYS 22 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2jtt h LYS 22 Cb 0.20 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2jtt h LYS 22 CO 0.00 -0.13 -0.34 0.39 -0.57 0.00 0.00 179.45 178.80 2jtt n GLU 23 N -5.19 0.47 -0.28 3.15 1.02 -1.18 -4.96 120.64 113.68 2jtt n GLU 23 Ca -0.09 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 2jtt n GLU 23 Cb 0.19 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 1.40 0.83 3.96 0.62 0.00 -0.99 -5.11 105.19 105.91 2jtt n GLY 24 Ca 0.10 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.23 3.49 0.00 1.61 -1.08 -0.48 -4.92 116.67 113.07 2jtt s ASP 25 Ca 0.00 -0.02 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 2jtt s ASP 25 Cb 0.00 -0.11 0.00 0.00 -1.46 0.00 0.00 42.92 41.35 2jtt s ASP 25 CO 0.00 -2.46 0.00 0.29 0.52 0.00 0.00 175.17 173.52 2jtt n LYS 26 N -3.44 0.00 0.00 4.34 5.02 -1.26 -3.85 118.16 118.97 2jtt n LYS 26 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2jtt n LYS 26 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 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 0.00 0.00 -3.63 2.13 1.44 -1.26 -4.80 115.22 109.10 2jtt n HIS 27 Ca 0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.56 2jtt n HIS 27 Cb 0.00 -0.08 -0.07 0.00 0.12 0.00 0.00 29.99 29.96 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 -1.22 0.02 0.19 0.61 -1.32 -1.26 -1.56 115.64 111.10 2jtt s THR 28 Ca 0.00 -0.14 0.11 0.00 -1.21 0.00 0.00 61.69 60.45 2jtt s THR 28 Cb 0.00 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 70.12 2jtt s THR 28 CO 0.00 -0.08 -0.23 -0.76 -2.21 0.00 0.00 174.62 171.34 2jtt s LEU 29 N -0.85 2.43 0.59 9.08 1.02 -0.55 -4.78 118.68 125.62 2jtt s LEU 29 Ca -0.09 -0.87 -0.13 0.00 0.02 0.00 0.00 54.13 53.06 2jtt s LEU 29 Cb -0.03 -1.13 -0.05 0.00 0.02 0.00 0.00 46.19 45.00 2jtt s LEU 29 CO 0.06 0.10 1.02 -0.94 0.02 0.00 0.00 176.35 176.61 2jtt s SER 30 N -2.67 6.31 0.29 2.29 1.04 -1.26 -0.15 113.70 119.55 2jtt s SER 30 Ca 0.20 1.49 0.01 0.00 0.48 0.00 0.00 55.95 58.13 2jtt s SER 30 Cb -0.08 -2.49 0.53 0.00 0.10 0.00 0.00 66.02 64.09 2jtt s SER 30 CO 0.09 -0.81 1.86 0.07 0.98 0.00 0.00 173.24 175.44 2jtt h LYS 31 N 0.09 1.00 -0.01 4.02 2.10 -1.92 -0.77 116.57 121.08 2jtt h LYS 31 Ca -0.45 -0.06 -0.15 0.00 -2.00 0.00 0.00 60.65 57.99 2jtt h LYS 31 Cb 1.19 -0.23 -0.02 0.00 -0.90 0.00 0.00 32.23 32.28 2jtt h LYS 31 CO 0.61 0.66 -0.69 1.57 -2.00 0.00 0.00 179.45 179.61 2jtt h LYS 32 N 1.03 0.08 -0.28 0.07 5.09 -1.93 -0.84 116.57 119.78 2jtt h LYS 32 Ca 0.46 -0.07 -0.17 0.00 0.09 0.00 0.00 60.65 60.96 2jtt h LYS 32 Cb 0.37 0.01 -0.00 0.00 0.10 0.00 0.00 32.23 32.71 2jtt h LYS 32 CO -0.22 0.74 -0.50 1.49 -2.09 0.00 0.00 179.45 178.87 2jtt h GLU 33 N 0.05 0.77 -0.46 0.07 4.81 -1.69 -1.02 114.58 117.11 2jtt h GLU 33 Ca -0.01 -0.46 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 2jtt h GLU 33 Cb 1.22 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 2jtt h GLU 33 CO 0.10 1.09 0.06 1.25 -0.73 0.00 0.00 179.01 180.78 2jtt h LEU 34 N 0.61 0.75 -1.24 1.64 7.12 -1.15 -2.24 115.31 120.80 2jtt h LEU 34 Ca 0.03 -0.27 0.06 0.00 0.13 0.00 0.00 57.88 57.83 2jtt h LEU 34 Cb 1.08 -0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 40.95 2jtt h LEU 34 CO 0.11 0.83 0.54 0.50 -0.13 0.00 0.00 178.44 180.29 2jtt h LYS 35 N 0.64 0.89 -0.60 1.25 3.64 -0.94 -1.49 116.57 119.96 2jtt h LYS 35 Ca 0.14 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 2jtt h LYS 35 Cb 0.41 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2jtt h LYS 35 CO 0.01 0.59 0.01 1.49 -2.27 0.00 0.00 179.45 179.29 2jtt h GLU 36 N 0.92 1.06 -0.17 1.90 4.81 -0.95 -0.25 114.58 121.90 2jtt h GLU 36 Ca 0.35 -0.33 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2jtt h GLU 36 Cb 0.21 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 2jtt h GLU 36 CO -0.12 1.03 -0.12 1.25 -0.73 0.00 0.00 179.01 180.31 2jtt h LEU 37 N 0.96 -0.39 0.08 1.64 6.46 -0.76 -1.38 115.31 121.91 2jtt h LEU 37 Ca 0.17 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2jtt h LEU 37 Cb 0.54 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.68 2jtt h LEU 37 CO 0.03 -0.16 -0.04 0.40 -0.62 0.00 0.00 178.44 178.05 2jtt h ILE 38 N -0.12 0.94 0.00 4.05 2.04 -1.03 0.28 117.51 123.67 2jtt h ILE 38 Ca 0.10 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 2jtt h ILE 38 Cb 0.28 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2jtt h ILE 38 CO -0.25 0.02 -0.17 1.56 0.00 0.00 0.00 178.15 179.31 2jtt h GLN 39 N -0.14 0.00 0.08 2.37 4.20 -0.91 0.60 115.11 121.31 2jtt h GLN 39 Ca -0.01 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.45 2jtt h GLN 39 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2jtt h GLN 39 CO 0.02 0.17 -1.30 0.87 -0.67 0.00 0.00 178.83 177.92 2jtt h LYS 40 N 0.00 0.17 0.11 1.46 1.79 -1.09 -3.36 116.57 115.65 2jtt h LYS 40 Ca -0.00 -0.29 -0.30 0.00 -2.18 0.00 0.00 60.65 57.88 2jtt h LYS 40 Cb 0.33 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2jtt h LYS 40 CO 0.02 1.14 -1.57 0.93 -1.08 0.00 0.00 179.45 178.89 2jtt h GLU 41 N -0.49 0.24 -1.27 3.15 4.39 -0.90 -3.40 114.58 116.29 2jtt h GLU 41 Ca -0.30 -0.40 -0.63 0.00 0.34 0.00 0.00 59.36 58.37 2jtt h GLU 41 Cb 1.61 0.15 -0.37 0.00 -0.10 0.00 0.00 28.75 30.04 2jtt h GLU 41 CO -0.01 1.19 -0.15 1.28 -1.16 0.00 0.00 179.01 180.17 2jtt n LEU 42 N -3.84 5.82 -4.46 1.33 7.99 0.19 -5.06 117.00 118.97 2jtt n LEU 42 Ca -0.27 -4.84 -0.57 0.00 -0.01 0.00 0.00 56.01 50.32 2jtt n LEU 42 Cb 0.93 -0.62 -0.09 0.00 -0.11 0.00 0.00 43.42 43.52 2jtt n LEU 42 CO 0.40 1.98 1.63 0.41 -1.51 0.00 0.00 177.39 180.29 2jtt n THR 43 N -0.64 0.13 -2.08 -5.08 -1.04 -1.18 -4.70 114.28 99.70 2jtt n THR 43 Ca 0.48 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.96 2jtt n THR 43 Cb 0.68 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 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 6.16 3.67 0.31 12.58 -6.64 -1.26 -4.82 119.36 129.36 2jtt n ILE 44 Ca 0.42 -3.48 0.04 0.00 -1.77 0.00 0.00 62.75 57.96 2jtt n ILE 44 Cb 0.09 -2.51 0.19 0.00 -1.44 0.00 0.00 39.64 35.97 2jtt n ILE 44 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2jtt n GLY 45 N 4.52 -0.80 0.17 3.28 0.00 -1.26 -1.23 105.19 109.87 2jtt n GLY 45 Ca 0.50 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.63 2jtt n GLY 45 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jtt h SER 46 N 0.00 0.00 0.00 1.61 4.64 -2.02 -3.48 113.55 114.30 2jtt h SER 46 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jtt h SER 46 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2jtt h SER 46 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2jtt n LYS 47 N -2.60 0.00 0.20 4.77 5.02 -0.36 -4.56 118.16 120.63 2jtt n LYS 47 Ca 0.03 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.37 2jtt n LYS 47 Cb 0.36 -0.07 0.48 0.00 -0.02 0.00 0.00 35.03 35.78 2jtt n LYS 47 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2jtt h LEU 48 N 0.00 0.04 0.00 -0.35 3.38 -1.93 -2.68 115.31 113.78 2jtt h LEU 48 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jtt h LEU 48 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2jtt h LEU 48 CO 0.00 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.75 2jtt n GLN 49 N -4.31 0.50 0.26 1.13 6.02 -1.26 -3.00 117.38 116.72 2jtt n GLN 49 Ca -0.02 0.04 0.16 0.00 -0.01 0.00 0.00 57.00 57.17 2jtt n GLN 49 Cb 0.26 -1.50 0.88 0.00 1.02 0.00 0.00 30.24 30.90 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 0.11 1.08 3.58 -1.80 -0.10 116.42 119.28 2jtt h ASP 50 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2jtt h ASP 50 Cb 0.12 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2jtt h ASP 50 CO 0.00 0.00 -0.13 0.00 -2.88 0.00 0.00 179.24 176.23 2jtt h ALA 51 N 1.88 1.73 0.08 -0.78 0.00 -1.80 0.49 119.26 120.87 2jtt h ALA 51 Ca 0.04 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 2jtt h ALA 51 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jtt h ALA 51 CO -0.00 0.21 -1.22 0.93 0.00 0.00 0.00 179.25 179.17 2jtt h GLU 52 N 0.05 0.17 -0.73 0.00 3.07 -1.29 -3.24 114.58 112.60 2jtt h GLU 52 Ca 0.01 -0.29 -0.05 0.00 -0.50 0.00 0.00 59.36 58.54 2jtt h GLU 52 Cb 0.26 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 2jtt h GLU 52 CO 0.02 1.10 0.28 0.82 -1.40 0.00 0.00 179.01 179.83 2jtt h ILE 53 N 0.05 1.25 0.00 3.13 1.08 -0.67 0.33 117.51 122.67 2jtt h ILE 53 Ca -0.11 -0.82 -0.05 0.00 -0.39 0.00 0.00 64.86 63.49 2jtt h ILE 53 Cb 1.91 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 36.07 2jtt h ILE 53 CO 0.17 0.33 -0.23 -0.37 -0.69 0.00 0.00 178.15 177.36 2jtt h VAL 54 N 1.06 0.94 -0.04 1.67 -1.51 -1.04 0.23 116.25 117.55 2jtt h VAL 54 Ca 0.24 -0.84 -0.25 0.00 -1.23 0.00 0.00 66.70 64.63 2jtt h VAL 54 Cb 0.24 1.48 0.02 0.00 -2.13 0.00 0.00 31.29 30.89 2jtt h VAL 54 CO -0.02 0.22 -0.94 0.50 -1.23 0.00 0.00 177.57 176.10 2jtt h LYS 55 N 0.00 0.71 -0.26 5.19 1.63 -1.48 -2.78 116.57 119.59 2jtt h LYS 55 Ca -0.00 -0.71 -0.07 0.00 -0.85 0.00 0.00 60.65 59.01 2jtt h LYS 55 Cb 0.46 0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 2jtt h LYS 55 CO 0.03 1.29 -0.16 1.25 -3.45 0.00 0.00 179.45 178.41 2jtt h LEU 56 N 0.40 0.43 -1.05 5.20 6.46 -0.59 -1.56 115.31 124.60 2jtt h LEU 56 Ca -0.11 -0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.54 2jtt h LEU 56 Cb 1.59 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 41.36 2jtt h LEU 56 CO 0.19 0.61 0.56 -0.03 -0.62 0.00 0.00 178.44 179.15 2jtt h MET 57 N 0.41 1.20 -0.41 1.25 4.05 -0.61 -1.50 114.93 119.31 2jtt h MET 57 Ca 0.07 -0.10 -0.09 0.00 -0.28 0.00 0.00 59.70 59.31 2jtt h MET 57 Cb 0.52 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 2jtt h MET 57 CO 0.03 0.82 -0.12 0.22 0.23 0.00 0.00 176.91 178.10 2jtt h ASP 58 N 1.22 0.73 0.37 1.39 3.58 -1.09 0.12 116.42 122.74 2jtt h ASP 58 Ca 0.32 -0.22 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 2jtt h ASP 58 Cb -0.08 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.76 2jtt h ASP 58 CO -0.06 0.87 -0.31 0.44 -2.88 0.00 0.00 179.24 177.30 2jtt h ASP 59 N 0.67 0.00 0.14 2.28 3.32 -0.80 -1.01 116.42 121.01 2jtt h ASP 59 Ca 0.11 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.98 2jtt h ASP 59 Cb 0.58 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.15 2jtt h ASP 59 CO 0.04 0.31 -0.83 -0.07 -1.72 0.00 0.00 179.24 176.97 2jtt h LEU 60 N 0.00 0.45 -0.91 1.55 3.38 -1.14 -3.34 115.31 115.30 2jtt h LEU 60 Ca -0.00 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.02 2jtt h LEU 60 Cb 0.57 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2jtt h LEU 60 CO 0.04 1.40 0.00 -0.78 0.09 0.00 0.00 178.44 179.19 2jtt h ASP 61 N -0.38 0.00 0.00 -0.43 3.58 -0.69 -3.21 116.42 115.28 2jtt h ASP 61 Ca -0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2jtt h ASP 61 Cb 1.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.68 2jtt h ASP 61 CO 0.14 0.00 0.24 -0.09 -2.88 0.00 0.00 179.24 176.65 2jtt h ARG 62 N 0.00 0.00 -0.28 0.28 9.65 -1.30 0.15 114.38 122.88 2jtt h ARG 62 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2jtt h ARG 62 Cb 0.31 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 2jtt h ARG 62 CO 0.00 0.00 0.07 -0.97 2.80 0.00 0.00 179.97 181.87 2jtt h ASN 63 N 0.00 0.36 0.00 -3.80 -0.73 -1.83 -3.41 115.58 106.17 2jtt h ASN 63 Ca 0.00 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.13 2jtt h ASN 63 Cb 0.48 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.98 2jtt h ASN 63 CO 0.00 0.37 0.00 1.17 -0.37 0.00 0.00 177.43 178.60 2jtt n LYS 64 N -4.38 3.43 -2.94 6.67 4.81 -0.71 -5.06 118.16 119.97 2jtt n LYS 64 Ca 0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.34 2jtt n LYS 64 Cb 0.16 -0.29 0.06 0.00 0.02 0.00 0.00 35.03 34.99 2jtt n LYS 64 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2jtt n ASP 65 N 0.00 -2.14 0.00 3.14 2.03 -0.04 -4.75 116.55 114.79 2jtt n ASP 65 Ca 0.00 -0.41 0.00 0.00 0.52 0.00 0.00 54.79 54.90 2jtt n ASP 65 Cb 0.00 -3.57 0.00 0.00 -0.72 0.00 0.00 41.12 36.83 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 -3.06 0.00 -3.88 -0.67 10.64 -1.26 -5.11 117.38 114.04 2jtt n GLN 66 Ca -0.19 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 54.88 2jtt n GLN 66 Cb 0.61 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.90 2jtt n GLN 66 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2jtt s GLU 67 N 0.00 0.63 -0.37 2.61 2.02 -1.26 -3.51 118.70 118.81 2jtt s GLU 67 Ca 0.00 -0.64 -0.04 0.00 0.02 0.00 0.00 54.97 54.30 2jtt s GLU 67 Cb 0.00 0.25 0.08 0.00 0.10 0.00 0.00 34.13 34.56 2jtt s GLU 67 CO 0.00 -0.17 0.15 0.08 0.02 0.00 0.00 175.26 175.34 2jtt s VAL 68 N -2.42 3.47 0.42 2.63 1.01 0.79 -4.09 120.40 122.21 2jtt s VAL 68 Ca -0.06 -1.61 -0.17 0.00 0.00 0.00 0.00 61.98 60.14 2jtt s VAL 68 Cb -0.02 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 2jtt s VAL 68 CO -0.03 -0.42 0.88 0.21 0.00 0.00 0.00 175.10 175.73 2jtt s ASN 69 N 1.67 6.75 0.29 3.32 3.84 -1.26 -1.48 114.94 128.07 2jtt s ASN 69 Ca 0.02 1.47 0.03 0.00 0.21 0.00 0.00 52.86 54.59 2jtt s ASN 69 Cb -0.22 -2.45 0.64 0.00 -0.55 0.00 0.00 41.25 38.67 2jtt s ASN 69 CO -0.01 -0.39 1.80 0.15 -2.79 0.00 0.00 177.10 175.87 2jtt h PHE 70 N 1.64 1.10 -0.57 0.43 3.57 -1.69 -1.86 116.94 119.55 2jtt h PHE 70 Ca -0.48 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 60.96 2jtt h PHE 70 Cb 1.18 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2jtt h PHE 70 CO 0.62 0.34 -0.02 0.37 -2.23 0.00 0.00 178.31 177.39 2jtt h GLN 71 N 0.87 1.00 -0.36 1.11 4.15 -1.95 -1.88 115.11 118.06 2jtt h GLN 71 Ca 0.54 -0.32 -0.16 0.00 0.77 0.00 0.00 58.65 59.48 2jtt h GLN 71 Cb 0.70 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 2jtt h GLN 71 CO -0.33 1.00 -0.39 1.49 -1.93 0.00 0.00 178.83 178.67 2jtt h GLU 72 N 0.92 0.91 -0.46 1.69 4.57 -1.86 -2.90 114.58 117.44 2jtt h GLU 72 Ca 0.16 -0.49 0.04 0.00 -1.18 0.00 0.00 59.36 57.89 2jtt h GLU 72 Cb 0.56 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.13 2jtt h GLU 72 CO 0.03 1.14 0.24 -0.92 -1.18 0.00 0.00 179.01 178.31 2jtt h TYR 73 N 0.72 0.44 -0.32 0.92 3.20 -1.02 0.97 116.97 121.87 2jtt h TYR 73 Ca 0.05 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 2jtt h TYR 73 Cb 0.98 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 2jtt h TYR 73 CO 0.07 0.22 -0.10 0.82 -1.64 0.00 0.00 178.16 177.52 2jtt h ILE 74 N 0.47 1.28 -0.65 1.81 1.08 -1.42 -0.91 117.51 119.18 2jtt h ILE 74 Ca 0.20 -1.18 0.05 0.00 -0.39 0.00 0.00 64.86 63.54 2jtt h ILE 74 Cb 0.09 1.38 -0.05 0.00 -3.07 0.00 0.00 36.82 35.17 2jtt h ILE 74 CO -0.13 0.38 0.36 0.74 -0.69 0.00 0.00 178.15 178.81 2jtt h THR 75 N 0.41 0.99 -0.41 -0.27 2.02 -1.28 -1.03 112.91 113.33 2jtt h THR 75 Ca 0.08 -0.23 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 2jtt h THR 75 Cb 0.61 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2jtt h THR 75 CO 0.04 0.12 -0.26 0.15 0.37 0.00 0.00 175.52 175.94 2jtt h PHE 76 N 0.68 1.05 0.00 3.16 3.57 -0.76 -2.59 116.94 122.06 2jtt h PHE 76 Ca 0.28 -0.28 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2jtt h PHE 76 Cb 0.15 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 2jtt h PHE 76 CO -0.08 1.08 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.88 2jtt h LEU 77 N 0.73 0.00 -0.77 0.59 3.38 -0.79 0.47 115.31 118.92 2jtt h LEU 77 Ca 0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2jtt h LEU 77 Cb 0.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2jtt h LEU 77 CO 0.07 0.14 -0.05 1.23 0.09 0.00 0.00 178.44 179.93 2jtt h GLY 78 N 0.77 0.96 1.01 0.83 0.00 -0.83 -0.00 103.07 105.81 2jtt h GLY 78 Ca -0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 47.33 46.50 2jtt h GLY 78 CO 0.02 0.64 -0.32 0.00 0.00 0.00 0.00 176.54 176.88 2jtt h ALA 79 N 1.13 0.45 -0.73 3.60 0.00 -1.00 -1.83 119.26 120.88 2jtt h ALA 79 Ca 0.14 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.68 2jtt h ALA 79 Cb 0.55 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2jtt h ALA 79 CO 0.03 0.49 0.45 1.25 0.00 0.00 0.00 179.25 181.47 2jtt h LEU 80 N 0.52 0.72 -0.67 0.00 5.85 -0.78 -0.42 115.31 120.54 2jtt h LEU 80 Ca 0.05 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2jtt h LEU 80 Cb 0.89 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2jtt h LEU 80 CO 0.08 0.49 0.27 0.00 -0.34 0.00 0.00 178.44 178.94 2jtt h ALA 81 N 1.32 0.87 0.00 1.25 0.00 -1.00 -3.02 119.26 118.68 2jtt h ALA 81 Ca 0.30 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2jtt h ALA 81 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2jtt h ALA 81 CO -0.13 0.48 -0.25 0.00 0.00 0.00 0.00 179.25 179.36 2jtt h MET 82 N 0.95 0.00 0.00 0.00 -0.00 -0.64 -2.51 114.93 112.72 2jtt h MET 82 Ca 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.90 2jtt h MET 82 Cb 0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.80 2jtt h MET 82 CO -0.02 0.25 -0.13 0.82 -0.00 0.00 0.00 176.91 177.83 2jtt h ILE 83 N 0.00 0.87 0.00 -0.10 5.03 -0.96 -3.04 117.51 119.31 2jtt h ILE 83 Ca -0.00 -0.49 -0.33 0.00 -0.12 0.00 0.00 64.86 63.91 2jtt h ILE 83 Cb 0.78 1.28 -0.02 0.00 -3.03 0.00 0.00 36.82 35.83 2jtt h ILE 83 CO 0.03 0.13 1.28 -1.22 -0.68 0.00 0.00 178.15 177.69 2jtt n TYR 84 N -4.05 0.86 -0.40 1.37 4.01 -0.95 -4.79 117.16 113.21 2jtt n TYR 84 Ca -0.02 -1.87 0.32 0.00 -0.16 0.00 0.00 57.90 56.16 2jtt n TYR 84 Cb 0.22 -1.75 0.60 0.00 -0.31 0.00 0.00 39.34 38.09 2jtt n TYR 84 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 2jtt h ASN 85 N 4.28 0.31 0.52 7.72 -1.24 -1.76 -1.54 115.58 123.87 2jtt h ASN 85 Ca 0.41 0.12 -0.04 0.00 0.71 0.00 0.00 56.30 57.49 2jtt h ASN 85 Cb 0.85 0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.98 2jtt h ASN 85 CO 0.85 -0.09 -0.21 -0.33 -1.29 0.00 0.00 177.43 176.36 2jtt h GLU 86 N 0.19 0.00 0.00 6.67 4.39 -1.90 -0.81 114.58 123.12 2jtt h GLU 86 Ca 0.74 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.44 2jtt h GLU 86 Cb 2.19 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.84 2jtt h GLU 86 CO -0.37 0.21 -0.00 0.00 -1.16 0.00 0.00 179.01 177.68 2jtt h ALA 87 N 1.79 1.00 -0.01 3.43 0.00 -1.66 -1.36 119.26 122.45 2jtt h ALA 87 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jtt h ALA 87 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jtt h ALA 87 CO 0.03 0.00 -0.44 1.28 0.00 0.00 0.00 179.25 180.12 2jtt n LEU 88 N -3.10 1.90 -0.07 0.00 7.99 -0.39 -4.29 117.00 119.04 2jtt n LEU 88 Ca 0.01 -0.69 -0.21 0.00 -0.01 0.00 0.00 56.01 55.11 2jtt n LEU 88 Cb 0.30 -0.02 -0.12 0.00 -0.11 0.00 0.00 43.42 43.47 2jtt n LEU 88 CO 0.27 0.35 -0.38 0.50 -1.51 0.00 0.00 177.39 176.62 2jtt h LYS 89 N 2.29 0.06 0.00 3.23 3.64 -0.80 -3.52 116.57 121.48 2jtt h LYS 89 Ca 0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2jtt h LYS 89 Cb 0.72 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2jtt h LYS 89 CO 0.00 1.05 0.00 0.41 -2.27 0.00 0.00 179.45 178.64