#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 -0.27 3.04 0.00 -1.26 -4.71 120.51 117.31 2jtt n ALA 2 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2jtt n ALA 2 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 2jtt n ALA 2 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jtt h SER 3 N 0.00 -0.09 -0.53 0.00 0.87 -2.05 -0.77 113.55 110.99 2jtt h SER 3 Ca 0.00 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2jtt h SER 3 Cb 0.00 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2jtt h SER 3 CO 0.00 -0.12 0.26 -0.65 -0.53 0.00 0.00 176.83 175.79 2jtt h PRO 4 N 0.20 0.75 0.14 2.24 0.11 -2.00 -1.49 132.00 131.97 2jtt h PRO 4 Ca 0.46 -0.11 -0.30 0.00 0.11 0.00 0.00 66.00 66.16 2jtt h PRO 4 Cb 0.86 -0.14 0.03 0.00 0.11 0.00 0.00 31.00 31.86 2jtt h PRO 4 CO -0.61 0.62 -1.29 1.25 -0.21 0.00 0.00 178.00 177.77 2jtt h LEU 5 N 0.70 0.84 -1.09 2.35 5.85 -1.88 -3.03 115.31 119.06 2jtt h LEU 5 Ca 0.18 -0.80 -0.03 0.00 0.84 0.00 0.00 57.88 58.07 2jtt h LEU 5 Cb 0.11 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2jtt h LEU 5 CO -0.02 1.61 0.27 -0.78 -0.34 0.00 0.00 178.44 179.18 2jtt h ASP 6 N 0.24 0.84 0.74 1.25 3.58 -1.11 0.37 116.42 122.32 2jtt h ASP 6 Ca -0.20 -0.10 -0.14 0.00 0.42 0.00 0.00 57.03 57.01 2jtt h ASP 6 Cb 1.96 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.78 2jtt h ASP 6 CO 0.24 0.74 -0.67 0.06 -2.88 0.00 0.00 179.24 176.73 2jtt h GLN 7 N 0.91 0.00 -0.04 0.28 3.07 -1.39 -1.72 115.11 116.22 2jtt h GLN 7 Ca 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.91 2jtt h GLN 7 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.71 2jtt h GLN 7 CO -0.02 0.67 -0.16 0.00 0.09 0.00 0.00 178.83 179.40 2jtt h ALA 8 N 1.33 0.07 -0.31 0.06 0.00 -1.20 -0.34 119.26 118.87 2jtt h ALA 8 Ca -0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2jtt h ALA 8 Cb 1.22 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2jtt h ALA 8 CO 0.09 0.01 -0.04 -0.84 0.00 0.00 0.00 179.25 178.47 2jtt h ILE 9 N -0.38 1.20 0.00 0.00 3.07 -1.06 -1.92 117.51 118.41 2jtt h ILE 9 Ca -0.01 -0.83 -0.03 0.00 1.55 0.00 0.00 64.86 65.53 2jtt h ILE 9 Cb 0.81 1.01 -0.00 0.00 -0.27 0.00 0.00 36.82 38.36 2jtt h ILE 9 CO 0.03 0.28 -0.16 1.23 -1.05 0.00 0.00 178.15 178.48 2jtt h GLY 10 N 0.84 0.00 0.70 0.16 0.00 -1.27 -2.04 103.07 101.47 2jtt h GLY 10 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2jtt h GLY 10 CO 0.02 0.00 -0.06 -2.00 0.00 0.00 0.00 176.54 174.49 2jtt h LEU 11 N 0.00 -0.15 -0.89 3.11 7.12 -0.24 -0.37 115.31 123.89 2jtt h LEU 11 Ca -0.00 -0.24 0.04 0.00 0.13 0.00 0.00 57.88 57.81 2jtt h LEU 11 Cb 0.32 0.04 -0.06 0.00 -0.53 0.00 0.00 40.66 40.43 2jtt h LEU 11 CO 0.02 0.17 0.57 -0.07 -0.13 0.00 0.00 178.44 179.00 2jtt h LEU 12 N -0.48 0.94 -0.40 2.25 4.07 -1.33 0.56 115.31 120.92 2jtt h LEU 12 Ca -0.02 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.85 2jtt h LEU 12 Cb 0.38 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2jtt h LEU 12 CO 0.03 0.63 -0.10 0.40 -1.08 0.00 0.00 178.44 178.32 2jtt h ILE 13 N 1.09 1.28 -0.18 1.22 2.04 -1.36 -2.07 117.51 119.52 2jtt h ILE 13 Ca 0.37 -1.18 -0.16 0.00 1.00 0.00 0.00 64.86 64.88 2jtt h ILE 13 Cb 0.05 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2jtt h ILE 13 CO -0.13 0.40 -0.54 1.23 0.00 0.00 0.00 178.15 179.10 2jtt h GLY 14 N 0.57 0.60 1.00 5.37 0.00 -0.57 0.41 103.07 110.45 2jtt h GLY 14 Ca 0.10 -0.69 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 2jtt h GLY 14 CO 0.04 0.62 0.11 -2.22 0.00 0.00 0.00 176.54 175.09 2jtt h ILE 15 N 0.42 1.25 0.03 2.60 2.04 -0.95 -3.29 117.51 119.60 2jtt h ILE 15 Ca 0.01 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 2jtt h ILE 15 Cb 1.08 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2jtt h ILE 15 CO 0.10 0.33 -0.01 0.15 0.00 0.00 0.00 178.15 178.72 2jtt h PHE 16 N 0.76 -0.04 0.00 1.37 3.04 -1.13 -3.38 116.94 117.56 2jtt h PHE 16 Ca 0.16 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.06 2jtt h PHE 16 Cb 0.37 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 2jtt h PHE 16 CO 0.03 0.66 -0.25 1.25 -2.02 0.00 0.00 178.31 177.97 2jtt h HIS 17 N -0.86 0.00 -0.70 0.41 2.76 -1.07 -2.67 115.15 113.02 2jtt h HIS 17 Ca -0.00 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.26 2jtt h HIS 17 Cb 0.72 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.60 2jtt h HIS 17 CO 0.18 0.25 0.33 -0.22 -1.30 0.00 0.00 177.93 177.17 2jtt h LYS 18 N 0.00 0.53 0.00 5.26 3.64 -1.73 -0.83 116.57 123.44 2jtt h LYS 18 Ca -0.00 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 2jtt h LYS 18 Cb 0.70 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2jtt h LYS 18 CO 0.03 0.35 -0.84 1.88 -2.27 0.00 0.00 179.45 178.61 2jtt h TYR 19 N 0.55 0.00 0.02 1.91 -1.99 -1.68 -3.05 116.97 112.74 2jtt h TYR 19 Ca 0.35 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.08 2jtt h TYR 19 Cb 0.40 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.13 2jtt h TYR 19 CO -0.12 0.72 -0.01 0.77 -0.00 0.00 0.00 178.16 179.52 2jtt h SER 20 N 0.00 -0.02 0.90 3.88 0.02 -1.19 -3.27 113.55 113.87 2jtt h SER 20 Ca -0.04 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2jtt h SER 20 Cb 1.58 0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.13 2jtt h SER 20 CO 0.09 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.60 2jtt n GLY 21 N -0.47 -1.43 0.37 -3.77 0.00 -0.35 -3.58 105.19 95.96 2jtt n GLY 21 Ca -0.08 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 45.87 2jtt n GLY 21 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2jtt h LYS 22 N 0.00 1.04 -0.17 1.61 3.64 -1.58 -2.84 116.57 118.27 2jtt h LYS 22 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jtt h LYS 22 Cb 0.45 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2jtt h LYS 22 CO 0.00 0.69 0.00 0.39 -2.27 0.00 0.00 179.45 178.26 2jtt n GLU 23 N -4.47 1.64 -0.82 1.90 1.02 -1.26 -5.00 120.64 113.65 2jtt n GLU 23 Ca 0.13 -1.64 0.00 0.00 -0.02 0.00 0.00 57.16 55.63 2jtt n GLU 23 Cb 0.16 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 2jtt n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jtt n GLY 24 N 0.76 0.57 3.86 0.62 0.00 -1.07 -5.07 105.19 104.86 2jtt n GLY 24 Ca 0.10 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.13 3.75 1.32 1.61 2.15 -1.23 -5.03 116.67 117.10 2jtt s ASP 25 Ca 0.00 0.70 -0.20 0.00 0.43 0.00 0.00 52.55 53.48 2jtt s ASP 25 Cb 0.00 -1.10 0.33 0.00 -0.30 0.00 0.00 42.92 41.85 2jtt s ASP 25 CO 0.00 -2.37 1.00 -1.59 -0.17 0.00 0.00 175.17 172.03 2jtt s LYS 26 N -5.57 -2.11 -0.75 4.34 0.00 -1.26 -4.50 119.74 109.89 2jtt s LYS 26 Ca 0.66 0.18 -0.24 0.00 0.00 0.00 0.00 55.97 56.57 2jtt s LYS 26 Cb -0.10 -1.47 -0.19 0.00 0.00 0.00 0.00 37.83 36.07 2jtt s LYS 26 CO 0.51 -4.35 1.88 -2.39 0.00 0.00 0.00 175.35 171.01 2jtt n HIS 27 N -5.26 1.69 -3.55 1.78 1.44 -1.26 -4.70 115.22 105.36 2jtt n HIS 27 Ca 0.11 -1.39 -0.16 0.00 -2.01 0.00 0.00 57.72 54.27 2jtt n HIS 27 Cb 0.59 -1.82 -0.06 0.00 0.12 0.00 0.00 29.99 28.82 2jtt n HIS 27 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2jtt s THR 28 N 7.61 0.00 -0.07 0.61 2.01 -1.26 -3.01 115.64 121.53 2jtt s THR 28 Ca 0.64 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.69 2jtt s THR 28 Cb 0.10 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 2jtt s THR 28 CO 0.17 0.00 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.11 2jtt s LEU 29 N -0.89 2.03 0.72 4.42 1.43 -0.40 -4.46 118.68 121.52 2jtt s LEU 29 Ca -0.08 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 2jtt s LEU 29 Cb -0.01 -1.29 0.03 0.00 0.03 0.00 0.00 46.19 44.95 2jtt s LEU 29 CO 0.07 0.19 1.10 -0.94 0.23 0.00 0.00 176.35 177.00 2jtt s SER 30 N 0.10 5.19 0.23 2.29 1.04 -1.26 -0.18 113.70 121.11 2jtt s SER 30 Ca -0.10 0.97 -0.06 0.00 0.48 0.00 0.00 55.95 57.23 2jtt s SER 30 Cb -0.15 -1.70 0.33 0.00 0.10 0.00 0.00 66.02 64.60 2jtt s SER 30 CO 0.05 -1.47 1.82 0.11 0.98 0.00 0.00 173.24 174.73 2jtt h LYS 31 N -0.71 0.76 -0.29 4.02 1.57 -1.95 0.51 116.57 120.49 2jtt h LYS 31 Ca -0.45 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.18 2jtt h LYS 31 Cb 1.28 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 2jtt h LYS 31 CO 0.64 0.50 -0.26 1.57 -0.57 0.00 0.00 179.45 181.33 2jtt h LYS 32 N 0.78 0.57 -0.03 3.15 5.09 -1.94 -2.39 116.57 121.82 2jtt h LYS 32 Ca 0.36 -0.23 -0.22 0.00 0.09 0.00 0.00 60.65 60.65 2jtt h LYS 32 Cb 0.26 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 32.57 2jtt h LYS 32 CO -0.21 0.78 -0.89 1.49 -2.09 0.00 0.00 179.45 178.53 2jtt h GLU 33 N 0.50 0.48 -0.21 0.07 4.57 -1.54 -1.86 114.58 116.59 2jtt h GLU 33 Ca 0.07 -0.47 -0.00 0.00 -1.18 0.00 0.00 59.36 57.78 2jtt h GLU 33 Cb 0.71 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 2jtt h GLU 33 CO 0.05 1.12 0.12 1.25 -1.18 0.00 0.00 179.01 180.37 2jtt h LEU 34 N 0.29 0.25 -1.01 1.64 7.12 -0.98 -1.93 115.31 120.69 2jtt h LEU 34 Ca -0.07 -0.06 0.08 0.00 0.13 0.00 0.00 57.88 57.96 2jtt h LEU 34 Cb 1.52 -0.06 -0.07 0.00 -0.53 0.00 0.00 40.66 41.51 2jtt h LEU 34 CO 0.16 0.24 0.65 0.50 -0.13 0.00 0.00 178.44 179.85 2jtt h LYS 35 N 0.24 1.10 -0.69 1.25 3.64 -1.30 -0.16 116.57 120.66 2jtt h LYS 35 Ca 0.07 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2jtt h LYS 35 Cb 0.04 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 2jtt h LYS 35 CO -0.01 0.73 0.38 1.49 -2.27 0.00 0.00 179.45 179.77 2jtt h GLU 36 N 1.13 0.96 0.76 1.90 4.81 -1.03 0.52 114.58 123.64 2jtt h GLU 36 Ca 0.45 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 2jtt h GLU 36 Cb 0.25 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2jtt h GLU 36 CO -0.20 0.72 -0.47 1.25 -0.73 0.00 0.00 179.01 179.58 2jtt h LEU 37 N 0.95 -1.17 -1.26 1.64 6.46 -0.54 -1.38 115.31 120.00 2jtt h LEU 37 Ca 0.24 0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 58.00 2jtt h LEU 37 Cb 0.03 0.34 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 2jtt h LEU 37 CO -0.04 -0.72 -0.34 0.16 -0.62 0.00 0.00 178.44 176.88 2jtt h ILE 38 N -1.15 1.03 0.21 4.05 3.07 -0.79 0.13 117.51 124.06 2jtt h ILE 38 Ca -0.10 -1.26 -0.32 0.00 1.55 0.00 0.00 64.86 64.73 2jtt h ILE 38 Cb 0.92 1.72 0.03 0.00 -0.27 0.00 0.00 36.82 39.23 2jtt h ILE 38 CO 0.10 0.33 -1.40 1.56 -1.05 0.00 0.00 178.15 177.70 2jtt h GLN 39 N 0.00 0.54 0.02 0.16 1.08 -0.96 -3.00 115.11 112.94 2jtt h GLN 39 Ca -0.00 -0.86 -0.27 0.00 -1.45 0.00 0.00 58.65 56.07 2jtt h GLN 39 Cb 0.69 0.31 -0.04 0.00 -0.05 0.00 0.00 27.48 28.40 2jtt h GLN 39 CO 0.04 1.40 -1.51 -0.22 -0.95 0.00 0.00 178.83 177.60 2jtt h LYS 40 N 0.17 0.04 0.11 1.46 3.11 -0.98 -2.77 116.57 117.71 2jtt h LYS 40 Ca -0.23 -0.07 -0.26 0.00 -2.81 0.00 0.00 60.65 57.28 2jtt h LYS 40 Cb 2.08 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 33.34 2jtt h LYS 40 CO 0.26 0.74 -1.32 0.93 -2.81 0.00 0.00 179.45 177.25 2jtt h GLU 41 N 0.01 0.22 -0.01 1.90 4.39 -0.93 -3.40 114.58 116.77 2jtt h GLU 41 Ca -0.21 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.11 2jtt h GLU 41 Cb 1.95 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.74 2jtt h GLU 41 CO 0.10 1.18 -0.67 1.28 -1.16 0.00 0.00 179.01 179.75 2jtt n LEU 42 N -3.99 1.60 -3.40 1.33 4.77 -1.14 -5.05 117.00 111.12 2jtt n LEU 42 Ca -0.24 -0.66 -0.29 0.00 -0.03 0.00 0.00 56.01 54.79 2jtt n LEU 42 Cb 0.87 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.99 2jtt n LEU 42 CO 0.40 0.32 -0.33 0.35 -1.33 0.00 0.00 177.39 176.80 2jtt n THR 43 N -0.60 -3.32 -0.05 -5.08 -2.24 -1.04 -4.91 114.28 97.03 2jtt n THR 43 Ca 0.07 0.18 -0.02 0.00 -2.27 0.00 0.00 64.05 62.01 2jtt n THR 43 Cb 0.40 -3.33 0.24 0.00 -2.10 0.00 0.00 70.33 65.55 2jtt n THR 43 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jtt h ILE 44 N 2.45 1.22 0.00 2.28 5.03 -1.81 -3.46 117.51 123.22 2jtt h ILE 44 Ca -0.43 -0.85 0.00 0.00 -0.12 0.00 0.00 64.86 63.46 2jtt h ILE 44 Cb 1.30 0.89 0.00 0.00 -3.03 0.00 0.00 36.82 35.97 2jtt h ILE 44 CO 0.17 0.30 0.00 0.61 -0.68 0.00 0.00 178.15 178.55 2jtt n GLY 45 N -0.81 1.11 0.21 5.37 0.00 -1.26 -4.21 105.19 105.60 2jtt n GLY 45 Ca 0.02 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 2jtt n GLY 45 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jtt h SER 46 N 0.00 0.84 0.00 1.61 0.87 -2.03 -3.48 113.55 111.36 2jtt h SER 46 Ca 0.00 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 2jtt h SER 46 Cb 0.00 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 2jtt h SER 46 CO 0.00 1.34 0.00 0.29 -0.53 0.00 0.00 176.83 177.93 2jtt n LYS 47 N -3.91 -1.25 0.24 2.24 5.02 -1.26 -4.84 118.16 114.40 2jtt n LYS 47 Ca -0.07 0.31 0.08 0.00 -2.02 0.00 0.00 58.31 56.62 2jtt n LYS 47 Cb 0.74 -4.48 0.60 0.00 -0.02 0.00 0.00 35.03 31.87 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 0.00 -1.62 -0.35 3.38 -1.94 -2.31 115.31 112.46 2jtt h LEU 48 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jtt h LEU 48 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2jtt h LEU 48 CO 0.00 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.70 2jtt n GLN 49 N -3.99 2.12 0.29 1.13 6.02 -1.26 -4.42 117.38 117.27 2jtt n GLN 49 Ca -0.02 -1.49 0.17 0.00 -0.01 0.00 0.00 57.00 55.64 2jtt n GLN 49 Cb 0.25 -1.41 0.91 0.00 1.02 0.00 0.00 30.24 31.01 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 2.33 0.00 0.06 1.08 3.58 -1.81 0.12 116.42 121.78 2jtt h ASP 50 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2jtt h ASP 50 Cb 0.66 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 2jtt h ASP 50 CO 0.04 0.04 -0.12 0.00 -2.88 0.00 0.00 179.24 176.33 2jtt h ALA 51 N 1.96 1.64 0.04 -0.78 0.00 -1.83 0.55 119.26 120.83 2jtt h ALA 51 Ca -0.00 -0.16 -0.24 0.00 0.00 0.00 0.00 54.91 54.50 2jtt h ALA 51 Cb 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2jtt h ALA 51 CO 0.01 0.27 -1.19 0.93 0.00 0.00 0.00 179.25 179.26 2jtt h GLU 52 N 0.13 0.09 -0.43 0.00 3.07 -1.34 -3.22 114.58 112.88 2jtt h GLU 52 Ca 0.03 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 2jtt h GLU 52 Cb 0.30 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 2jtt h GLU 52 CO 0.02 1.01 0.25 0.82 -1.40 0.00 0.00 179.01 179.71 2jtt h ILE 53 N 0.03 1.15 0.00 3.13 1.08 -0.70 0.09 117.51 122.29 2jtt h ILE 53 Ca -0.09 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 63.97 2jtt h ILE 53 Cb 1.87 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 36.23 2jtt h ILE 53 CO 0.15 0.16 -0.17 -0.37 -0.69 0.00 0.00 178.15 177.22 2jtt h VAL 54 N 0.57 0.81 0.02 1.67 -1.51 -1.02 0.10 116.25 116.89 2jtt h VAL 54 Ca 0.15 -0.66 -0.21 0.00 -1.23 0.00 0.00 66.70 64.75 2jtt h VAL 54 Cb 0.03 1.39 -0.02 0.00 -2.13 0.00 0.00 31.29 30.57 2jtt h VAL 54 CO -0.03 0.17 -0.99 0.50 -1.23 0.00 0.00 177.57 175.99 2jtt h LYS 55 N 0.00 0.05 -0.60 5.19 1.63 -1.50 -2.64 116.57 118.71 2jtt h LYS 55 Ca -0.00 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 59.66 2jtt h LYS 55 Cb 0.38 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 2jtt h LYS 55 CO 0.02 1.00 0.14 1.25 -3.45 0.00 0.00 179.45 178.41 2jtt h LEU 56 N 0.02 0.91 -1.07 5.20 6.46 -0.10 -0.31 115.31 126.42 2jtt h LEU 56 Ca -0.03 -0.23 0.01 0.00 -0.12 0.00 0.00 57.88 57.51 2jtt h LEU 56 Cb 1.72 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 41.36 2jtt h LEU 56 CO 0.14 0.91 0.63 0.24 -0.62 0.00 0.00 178.44 179.73 2jtt h MET 57 N 0.87 1.24 0.00 1.25 2.86 -0.86 -0.06 114.93 120.23 2jtt h MET 57 Ca 0.19 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 2jtt h MET 57 Cb 0.35 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2jtt h MET 57 CO 0.00 0.82 -0.63 0.22 1.06 0.00 0.00 176.91 178.38 2jtt h ASP 58 N 1.28 0.00 1.30 1.22 3.58 -1.26 -0.73 116.42 121.81 2jtt h ASP 58 Ca 0.35 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.70 2jtt h ASP 58 Cb -0.13 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2jtt h ASP 58 CO -0.08 0.63 -0.48 -0.78 -2.88 0.00 0.00 179.24 175.65 2jtt h ASP 59 N 0.00 0.00 0.05 2.28 3.58 -0.59 -2.21 116.42 119.52 2jtt h ASP 59 Ca -0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2jtt h ASP 59 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2jtt h ASP 59 CO 0.08 0.48 -0.02 -0.07 -2.88 0.00 0.00 179.24 176.83 2jtt h LEU 60 N 0.00 -0.06 -2.30 2.28 3.38 -0.90 -3.28 115.31 114.42 2jtt h LEU 60 Ca -0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2jtt h LEU 60 Cb 1.26 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2jtt h LEU 60 CO 0.06 0.50 0.00 -0.78 0.09 0.00 0.00 178.44 178.31 2jtt h ASP 61 N -0.64 0.00 -0.23 -0.43 3.58 -1.16 -2.64 116.42 114.89 2jtt h ASP 61 Ca -0.01 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.51 2jtt h ASP 61 Cb 0.56 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 2jtt h ASP 61 CO 0.01 0.00 0.42 -0.09 -2.88 0.00 0.00 179.24 176.70 2jtt h ARG 62 N 0.00 0.00 -0.03 0.28 2.43 -1.46 -0.89 114.38 114.71 2jtt h ARG 62 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2jtt h ARG 62 Cb 0.09 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2jtt h ARG 62 CO 0.00 0.00 0.04 -2.95 -1.51 0.00 0.00 179.97 175.55 2jtt h ASN 63 N 0.00 0.00 0.00 -3.80 7.08 -1.69 -3.45 115.58 113.71 2jtt h ASN 63 Ca 0.11 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.33 2jtt h ASN 63 Cb 0.94 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.18 2jtt h ASN 63 CO -0.00 0.00 0.00 1.17 -2.08 0.00 0.00 177.43 176.52 2jtt n LYS 64 N -3.71 0.00 0.00 4.14 4.81 -0.35 -5.08 118.16 117.97 2jtt n LYS 64 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2jtt n LYS 64 Cb 0.12 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.17 2jtt n LYS 64 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2jtt n ASP 65 N 0.00 0.00 0.00 3.14 5.68 -1.18 -5.01 116.55 119.17 2jtt n ASP 65 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2jtt n ASP 65 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2jtt n ASP 65 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jtt n GLN 66 N -0.29 0.57 -3.53 0.11 6.02 -1.26 -5.05 117.38 113.95 2jtt n GLN 66 Ca 0.00 -0.04 -0.10 0.00 -0.01 0.00 0.00 57.00 56.85 2jtt n GLN 66 Cb 0.00 -0.32 -0.02 0.00 1.02 0.00 0.00 30.24 30.92 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 -0.09 1.30 -0.26 -1.09 -1.05 -1.26 -3.91 118.70 112.34 2jtt s GLU 67 Ca 0.00 -0.55 0.01 0.00 -0.15 0.00 0.00 54.97 54.28 2jtt s GLU 67 Cb 0.00 0.55 0.05 0.00 -0.44 0.00 0.00 34.13 34.29 2jtt s GLU 67 CO 0.00 -0.58 -0.08 0.08 0.95 0.00 0.00 175.26 175.63 2jtt s VAL 68 N -3.66 2.50 0.52 1.83 1.01 0.75 -4.47 120.40 118.87 2jtt s VAL 68 Ca 0.04 -1.38 -0.14 0.00 0.00 0.00 0.00 61.98 60.50 2jtt s VAL 68 Cb -0.02 -2.38 -0.07 0.00 0.00 0.00 0.00 36.38 33.91 2jtt s VAL 68 CO -0.08 0.06 0.96 0.20 0.00 0.00 0.00 175.10 176.23 2jtt s ASN 69 N 1.20 6.53 0.22 3.32 -0.87 -1.26 -1.28 114.94 122.80 2jtt s ASN 69 Ca -0.05 1.46 -0.09 0.00 -1.57 0.00 0.00 52.86 52.61 2jtt s ASN 69 Cb -0.19 -2.47 0.32 0.00 -0.02 0.00 0.00 41.25 38.90 2jtt s ASN 69 CO -0.05 -0.61 1.69 0.15 -2.57 0.00 0.00 177.10 175.71 2jtt h PHE 70 N 0.73 0.12 -0.74 2.20 3.57 -1.94 -1.50 116.94 119.39 2jtt h PHE 70 Ca -0.46 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.13 2jtt h PHE 70 Cb 1.19 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 2jtt h PHE 70 CO 0.64 -0.09 0.44 0.37 -2.23 0.00 0.00 178.31 177.44 2jtt h GLN 71 N 0.21 0.79 0.00 1.11 5.75 -1.94 -1.95 115.11 119.07 2jtt h GLN 71 Ca 0.33 -0.05 -0.15 0.00 -0.15 0.00 0.00 58.65 58.64 2jtt h GLN 71 Cb 0.53 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 2jtt h GLN 71 CO -0.46 0.52 -0.69 0.93 -2.65 0.00 0.00 178.83 176.48 2jtt h GLU 72 N 0.81 0.00 -0.58 1.69 4.39 -1.69 -1.82 114.58 117.38 2jtt h GLU 72 Ca 0.32 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.97 2jtt h GLU 72 Cb 0.15 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2jtt h GLU 72 CO -0.17 0.69 0.16 -0.92 -1.16 0.00 0.00 179.01 177.62 2jtt h TYR 73 N 0.00 0.95 -0.41 4.33 3.20 -0.95 -0.38 116.97 123.71 2jtt h TYR 73 Ca -0.01 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.70 2jtt h TYR 73 Cb 1.25 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 2jtt h TYR 73 CO 0.00 0.80 0.03 0.82 -1.64 0.00 0.00 178.16 178.17 2jtt h ILE 74 N 0.82 1.25 -0.84 1.81 1.08 -1.20 -1.98 117.51 118.47 2jtt h ILE 74 Ca 0.18 -0.96 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 2jtt h ILE 74 Cb 0.31 1.07 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 2jtt h ILE 74 CO -0.00 0.33 0.52 0.74 -0.69 0.00 0.00 178.15 179.05 2jtt h THR 75 N 0.55 1.22 -0.63 -0.27 2.02 -1.26 -0.56 112.91 113.99 2jtt h THR 75 Ca 0.12 -0.46 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 2jtt h THR 75 Cb 0.44 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 2jtt h THR 75 CO 0.02 0.23 0.08 0.15 0.37 0.00 0.00 175.52 176.36 2jtt h PHE 76 N 1.14 1.12 0.00 3.16 3.57 -0.92 -0.95 116.94 124.07 2jtt h PHE 76 Ca 0.30 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 2jtt h PHE 76 Cb -0.08 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.34 2jtt h PHE 76 CO 0.00 0.95 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.70 2jtt h LEU 77 N 0.98 0.00 -0.55 0.59 3.38 -0.76 0.11 115.31 119.07 2jtt h LEU 77 Ca 0.19 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 2jtt h LEU 77 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2jtt h LEU 77 CO 0.02 0.26 -0.04 1.23 0.09 0.00 0.00 178.44 180.00 2jtt h GLY 78 N 1.10 1.07 0.95 0.83 0.00 -0.55 -1.00 103.07 105.48 2jtt h GLY 78 Ca -0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 47.33 46.44 2jtt h GLY 78 CO 0.03 0.75 -0.00 0.00 0.00 0.00 0.00 176.54 177.33 2jtt h ALA 79 N 0.95 0.55 -0.78 3.60 0.00 -0.67 -2.95 119.26 119.95 2jtt h ALA 79 Ca 0.15 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2jtt h ALA 79 Cb 0.59 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2jtt h ALA 79 CO 0.04 0.33 0.46 1.25 0.00 0.00 0.00 179.25 181.33 2jtt h LEU 80 N 0.55 0.70 -1.35 0.00 5.85 -0.68 -0.75 115.31 119.63 2jtt h LEU 80 Ca 0.12 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.88 2jtt h LEU 80 Cb 0.48 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 2jtt h LEU 80 CO 0.02 0.45 0.45 0.00 -0.34 0.00 0.00 178.44 179.02 2jtt h ALA 81 N 1.39 1.58 0.00 1.25 0.00 -1.16 -2.14 119.26 120.18 2jtt h ALA 81 Ca 0.35 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 2jtt h ALA 81 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2jtt h ALA 81 CO -0.18 0.36 -0.41 0.52 0.00 0.00 0.00 179.25 179.54 2jtt h MET 82 N 0.86 0.00 -0.55 0.00 2.86 -0.99 -2.74 114.93 114.37 2jtt h MET 82 Ca 0.27 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.87 2jtt h MET 82 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2jtt h MET 82 CO -0.07 0.41 0.22 0.82 1.06 0.00 0.00 176.91 179.35 2jtt h ILE 83 N 0.00 1.22 0.00 -1.22 1.08 -0.73 -3.22 117.51 114.64 2jtt h ILE 83 Ca -0.00 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 2jtt h ILE 83 Cb 0.88 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 2jtt h ILE 83 CO 0.05 0.26 0.00 -1.22 -0.69 0.00 0.00 178.15 176.56 2jtt n TYR 84 N -4.51 0.00 0.17 1.37 4.01 -0.95 -4.71 117.16 112.53 2jtt n TYR 84 Ca 0.03 -0.70 0.19 0.00 -0.16 0.00 0.00 57.90 57.25 2jtt n TYR 84 Cb 0.16 -0.43 0.76 0.00 -0.31 0.00 0.00 39.34 39.52 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 1.88 0.00 0.17 7.72 7.08 -1.67 -1.39 115.58 129.37 2jtt h ASN 85 Ca 0.00 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.16 2jtt h ASN 85 Cb 0.70 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.93 2jtt h ASN 85 CO 0.00 0.00 -0.24 -0.33 -2.08 0.00 0.00 177.43 174.78 2jtt h GLU 86 N 0.00 0.13 -0.03 4.14 5.08 -1.92 -0.78 114.58 121.20 2jtt h GLU 86 Ca 0.14 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 2jtt h GLU 86 Cb 0.98 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2jtt h GLU 86 CO -0.00 0.36 -0.45 0.00 -1.00 0.00 0.00 179.01 177.92 2jtt h ALA 87 N 1.64 1.20 0.13 3.43 0.00 -1.61 -0.97 119.26 123.07 2jtt h ALA 87 Ca 0.02 -0.42 -0.22 0.00 0.00 0.00 0.00 54.91 54.29 2jtt h ALA 87 Cb 0.49 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.22 2jtt h ALA 87 CO 0.03 0.58 -0.93 -0.07 0.00 0.00 0.00 179.25 178.87 2jtt h LEU 88 N 0.05 0.59 -0.06 0.00 4.07 -1.61 -3.34 115.31 115.02 2jtt h LEU 88 Ca 0.00 -0.90 -0.00 0.00 0.08 0.00 0.00 57.88 57.06 2jtt h LEU 88 Cb 0.82 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.37 2jtt h LEU 88 CO 0.06 1.44 0.04 0.50 -1.08 0.00 0.00 178.44 179.40 2jtt h LYS 89 N -0.16 0.09 0.00 1.13 3.64 -1.11 -3.52 116.57 116.63 2jtt h LYS 89 Ca -0.15 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2jtt h LYS 89 Cb 1.69 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 2jtt h LYS 89 CO 0.18 0.11 0.00 0.41 -2.27 0.00 0.00 179.45 177.88