#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 2.51 -0.32 -5.12 0.00 -1.26 -4.71 120.51 111.61 2jtt n ALA 2 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.49 2jtt n ALA 2 Cb 0.00 -1.00 0.18 0.00 0.00 0.00 0.00 19.45 18.63 2jtt n ALA 2 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2jtt h SER 3 N 0.07 -0.64 -0.43 0.00 0.02 -2.05 -1.12 113.55 109.40 2jtt h SER 3 Ca 0.00 0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 2jtt h SER 3 Cb 0.24 0.50 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 2jtt h SER 3 CO 0.00 -0.30 0.16 -0.65 -1.14 0.00 0.00 176.83 174.90 2jtt h PRO 4 N 0.02 0.66 0.18 3.45 0.11 -2.00 -0.74 132.00 133.68 2jtt h PRO 4 Ca 0.49 -0.13 -0.31 0.00 0.11 0.00 0.00 66.00 66.16 2jtt h PRO 4 Cb 0.87 -0.10 0.03 0.00 0.11 0.00 0.00 31.00 31.91 2jtt h PRO 4 CO -0.89 0.62 -1.34 1.25 -0.21 0.00 0.00 178.00 177.43 2jtt h LEU 5 N 0.56 0.81 -1.09 2.35 5.85 -1.88 -3.15 115.31 118.76 2jtt h LEU 5 Ca 0.14 -0.81 -0.02 0.00 0.84 0.00 0.00 57.88 58.03 2jtt h LEU 5 Cb 0.22 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2jtt h LEU 5 CO -0.01 1.62 0.33 0.44 -0.34 0.00 0.00 178.44 180.48 2jtt h ASP 6 N 0.20 0.88 0.90 1.25 5.19 -1.11 -0.59 116.42 123.14 2jtt h ASP 6 Ca -0.21 -0.09 -0.12 0.00 -0.62 0.00 0.00 57.03 55.99 2jtt h ASP 6 Cb 2.03 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 41.30 2jtt h ASP 6 CO 0.25 0.74 -0.58 0.06 -3.12 0.00 0.00 179.24 176.60 2jtt h GLN 7 N 0.97 0.00 -0.13 3.56 3.07 -1.25 -0.67 115.11 120.66 2jtt h GLN 7 Ca 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.89 2jtt h GLN 7 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.66 2jtt h GLN 7 CO -0.03 0.58 -0.25 0.00 0.09 0.00 0.00 178.83 179.22 2jtt h ALA 8 N 1.42 0.21 0.00 0.06 0.00 -1.29 -0.67 119.26 118.98 2jtt h ALA 8 Ca -0.01 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 2jtt h ALA 8 Cb 1.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2jtt h ALA 8 CO 0.08 0.18 -0.25 -0.84 0.00 0.00 0.00 179.25 178.42 2jtt h ILE 9 N -0.01 1.01 -0.01 0.00 3.07 -1.18 -2.10 117.51 118.29 2jtt h ILE 9 Ca 0.01 -0.92 -0.07 0.00 1.55 0.00 0.00 64.86 65.43 2jtt h ILE 9 Cb 0.83 1.52 -0.01 0.00 -0.27 0.00 0.00 36.82 38.90 2jtt h ILE 9 CO 0.06 0.25 -0.30 1.23 -1.05 0.00 0.00 178.15 178.33 2jtt h GLY 10 N 0.97 0.02 0.83 0.16 0.00 -0.98 -1.93 103.07 102.15 2jtt h GLY 10 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2jtt h GLY 10 CO 0.03 0.02 -0.02 -2.00 0.00 0.00 0.00 176.54 174.57 2jtt h LEU 11 N 0.02 -0.05 -1.02 3.11 7.12 -0.40 -0.32 115.31 123.76 2jtt h LEU 11 Ca 0.00 -0.16 0.03 0.00 0.13 0.00 0.00 57.88 57.88 2jtt h LEU 11 Cb 0.55 0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.64 2jtt h LEU 11 CO 0.04 0.13 0.66 -0.07 -0.13 0.00 0.00 178.44 179.07 2jtt h LEU 12 N -0.23 1.11 -0.05 2.25 4.07 -1.39 0.24 115.31 121.30 2jtt h LEU 12 Ca -0.01 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 2jtt h LEU 12 Cb 0.20 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.68 2jtt h LEU 12 CO 0.01 0.77 0.02 0.40 -1.08 0.00 0.00 178.44 178.55 2jtt h ILE 13 N 1.29 1.17 0.00 1.22 2.04 -1.24 -1.77 117.51 120.22 2jtt h ILE 13 Ca 0.39 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 2jtt h ILE 13 Cb -0.04 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2jtt h ILE 13 CO -0.11 0.14 -0.26 1.23 0.00 0.00 0.00 178.15 179.15 2jtt h GLY 14 N -0.11 0.00 0.47 5.37 0.00 -0.65 -1.22 103.07 106.93 2jtt h GLY 14 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2jtt h GLY 14 CO -0.00 0.00 -0.16 -2.22 0.00 0.00 0.00 176.54 174.15 2jtt h ILE 15 N 0.00 0.40 -0.20 2.60 2.04 -0.95 -3.37 117.51 118.02 2jtt h ILE 15 Ca -0.00 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.13 2jtt h ILE 15 Cb 0.58 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2jtt h ILE 15 CO 0.03 0.09 0.11 0.15 0.00 0.00 0.00 178.15 178.54 2jtt h PHE 16 N -0.99 0.21 0.00 1.37 3.04 -0.97 -3.18 116.94 116.42 2jtt h PHE 16 Ca -0.05 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.91 2jtt h PHE 16 Cb 0.50 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.94 2jtt h PHE 16 CO 0.03 0.13 0.00 1.58 -2.02 0.00 0.00 178.31 178.03 2jtt n HIS 17 N -4.98 0.78 -0.23 0.41 -0.00 -0.49 -2.41 115.22 108.30 2jtt n HIS 17 Ca -0.03 0.28 -0.02 0.00 0.46 0.00 0.00 57.72 58.41 2jtt n HIS 17 Cb 0.04 -0.96 0.09 0.00 -0.12 0.00 0.00 29.99 29.04 2jtt n HIS 17 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 2jtt h LYS 18 N 0.00 0.69 0.10 1.57 1.57 -1.71 -1.42 116.57 117.38 2jtt h LYS 18 Ca 0.00 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 58.47 2jtt h LYS 18 Cb 0.46 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2jtt h LYS 18 CO 0.00 0.46 -1.24 1.88 -0.57 0.00 0.00 179.45 179.98 2jtt h TYR 19 N 0.71 0.40 -0.21 -1.35 0.05 -1.67 -2.94 116.97 111.97 2jtt h TYR 19 Ca 0.29 -0.29 -0.19 0.00 0.05 0.00 0.00 58.73 58.59 2jtt h TYR 19 Cb 0.15 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.88 2jtt h TYR 19 CO -0.07 1.24 -0.63 0.66 -1.05 0.00 0.00 178.16 178.31 2jtt h SER 20 N 0.06 0.87 0.00 3.88 4.64 -1.61 -3.18 113.55 118.20 2jtt h SER 20 Ca -0.13 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 2jtt h SER 20 Cb 1.95 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 2jtt h SER 20 CO 0.19 1.28 0.01 0.61 -0.87 0.00 0.00 176.83 178.04 2jtt n GLY 21 N 0.46 -0.67 0.27 -0.77 0.00 -0.54 -1.08 105.19 102.86 2jtt n GLY 21 Ca -0.05 0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.00 1.61 3.64 -1.49 -3.36 116.57 116.97 2jtt h LYS 22 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jtt h LYS 22 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2jtt h LYS 22 CO 0.00 0.09 -0.59 -0.85 -2.27 0.00 0.00 179.45 175.83 2jtt n GLU 23 N -3.32 2.41 -3.23 1.90 0.28 -0.24 -5.15 120.64 113.29 2jtt n GLU 23 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 2jtt n GLU 23 Cb 0.29 -0.80 0.00 0.00 1.43 0.00 0.00 31.44 32.36 2jtt n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jtt n GLY 24 N 1.67 -1.34 0.00 -1.84 0.00 -0.37 -5.02 105.19 98.29 2jtt n GLY 24 Ca 0.00 -0.95 0.11 0.00 0.00 0.00 0.00 46.02 45.18 2jtt n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jtt n ASP 25 N 0.69 0.00 -4.70 1.61 5.75 -1.26 -2.98 116.55 115.66 2jtt n ASP 25 Ca 0.00 -0.19 -0.35 0.00 -0.01 0.00 0.00 54.79 54.23 2jtt n ASP 25 Cb 0.00 -0.22 0.10 0.00 -1.03 0.00 0.00 41.12 39.97 2jtt n ASP 25 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2jtt n LYS 26 N -1.22 0.62 -0.80 0.11 2.85 -1.26 -4.96 118.16 113.51 2jtt n LYS 26 Ca 0.12 0.28 0.00 0.00 -1.05 0.00 0.00 58.31 57.66 2jtt n LYS 26 Cb 0.16 -2.45 0.29 0.00 -0.65 0.00 0.00 35.03 32.38 2jtt n LYS 26 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 2jtt n HIS 27 N -2.60 1.89 -4.31 5.58 1.44 -1.26 -4.78 115.22 111.18 2jtt n HIS 27 Ca 0.14 -0.81 -0.18 0.00 -2.01 0.00 0.00 57.72 54.86 2jtt n HIS 27 Cb 0.49 -0.52 -0.10 0.00 0.12 0.00 0.00 29.99 29.97 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 -2.50 1.59 -0.08 0.61 -4.23 -1.26 -1.32 115.64 108.45 2jtt s THR 28 Ca 0.45 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.95 2jtt s THR 28 Cb 0.35 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 72.32 2jtt s THR 28 CO 0.12 -0.54 -0.17 -0.76 -0.54 0.00 0.00 174.62 172.74 2jtt s LEU 29 N -3.02 1.82 0.57 4.79 1.43 -0.08 -4.60 118.68 119.60 2jtt s LEU 29 Ca 0.18 -0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 52.72 2jtt s LEU 29 Cb -0.02 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.10 2jtt s LEU 29 CO 0.05 0.09 1.03 -0.44 0.23 0.00 0.00 176.35 177.31 2jtt s SER 30 N 0.52 6.06 0.34 2.29 0.01 -1.26 -0.02 113.70 121.64 2jtt s SER 30 Ca -0.16 1.70 0.09 0.00 1.31 0.00 0.00 55.95 58.89 2jtt s SER 30 Cb -0.17 -2.52 0.82 0.00 0.21 0.00 0.00 66.02 64.37 2jtt s SER 30 CO 0.06 -0.97 1.83 0.07 0.41 0.00 0.00 173.24 174.64 2jtt h LYS 31 N 0.48 0.67 0.00 12.44 2.10 -1.79 0.17 116.57 130.65 2jtt h LYS 31 Ca -0.46 -0.04 -0.15 0.00 -2.00 0.00 0.00 60.65 57.99 2jtt h LYS 31 Cb 1.21 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 2jtt h LYS 31 CO 0.59 0.44 -0.73 1.57 -2.00 0.00 0.00 179.45 179.33 2jtt h LYS 32 N 0.69 0.00 -0.02 0.07 2.10 -1.93 -2.35 116.57 115.13 2jtt h LYS 32 Ca 0.50 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.94 2jtt h LYS 32 Cb 0.85 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.18 2jtt h LYS 32 CO -0.26 0.73 -0.88 1.49 -2.00 0.00 0.00 179.45 178.53 2jtt h GLU 33 N 0.00 0.36 -0.33 0.07 4.57 -1.20 -1.29 114.58 116.76 2jtt h GLU 33 Ca -0.01 -0.37 -0.00 0.00 -1.18 0.00 0.00 59.36 57.80 2jtt h GLU 33 Cb 1.46 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 30.13 2jtt h GLU 33 CO 0.09 1.04 0.19 1.25 -1.18 0.00 0.00 179.01 180.40 2jtt h LEU 34 N 0.21 0.40 -1.11 1.64 7.12 -0.83 -0.91 115.31 121.83 2jtt h LEU 34 Ca -0.06 -0.07 -0.03 0.00 0.13 0.00 0.00 57.88 57.84 2jtt h LEU 34 Cb 1.50 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.50 2jtt h LEU 34 CO 0.15 0.36 0.24 0.50 -0.13 0.00 0.00 178.44 179.56 2jtt h LYS 35 N 0.42 0.86 -0.13 1.25 3.64 -1.31 -1.13 116.57 120.16 2jtt h LYS 35 Ca 0.12 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2jtt h LYS 35 Cb 0.04 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2jtt h LYS 35 CO -0.02 0.71 0.01 0.93 -2.27 0.00 0.00 179.45 178.81 2jtt h GLU 36 N 0.85 0.06 -0.35 1.90 4.39 -0.98 -0.82 114.58 119.64 2jtt h GLU 36 Ca 0.20 -0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.97 2jtt h GLU 36 Cb 0.17 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.73 2jtt h GLU 36 CO -0.02 0.04 -0.15 1.25 -1.16 0.00 0.00 179.01 178.97 2jtt h LEU 37 N 0.06 -0.50 -0.03 1.33 6.46 -0.67 -0.03 115.31 121.93 2jtt h LEU 37 Ca 0.06 0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.95 2jtt h LEU 37 Cb 0.06 0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 2jtt h LEU 37 CO -0.09 -0.18 -0.02 0.40 -0.62 0.00 0.00 178.44 177.92 2jtt h ILE 38 N -0.08 0.93 -0.16 4.05 2.04 -0.90 0.64 117.51 124.03 2jtt h ILE 38 Ca 0.17 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.94 2jtt h ILE 38 Cb 0.35 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2jtt h ILE 38 CO -0.40 0.00 -0.33 1.56 0.00 0.00 0.00 178.15 178.98 2jtt h GLN 39 N -0.03 0.32 0.00 2.37 1.08 -0.90 0.46 115.11 118.41 2jtt h GLN 39 Ca 0.02 -0.13 -0.18 0.00 -1.45 0.00 0.00 58.65 56.91 2jtt h GLN 39 Cb 0.06 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 2jtt h GLN 39 CO -0.04 0.61 -1.11 0.87 -0.95 0.00 0.00 178.83 178.21 2jtt h LYS 40 N 0.28 0.00 0.00 1.46 1.79 -0.85 -3.28 116.57 115.97 2jtt h LYS 40 Ca 0.04 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 2jtt h LYS 40 Cb 0.71 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 2jtt h LYS 40 CO 0.05 0.54 -0.44 0.93 -1.08 0.00 0.00 179.45 179.46 2jtt h GLU 41 N 0.00 0.00 -3.52 3.15 4.39 -0.85 -3.41 114.58 114.34 2jtt h GLU 41 Ca -0.10 0.00 -0.79 0.00 0.34 0.00 0.00 59.36 58.81 2jtt h GLU 41 Cb 1.64 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 30.00 2jtt h GLU 41 CO 0.08 0.80 0.40 1.28 -1.16 0.00 0.00 179.01 180.41 2jtt n LEU 42 N -4.58 5.39 -3.54 1.33 4.77 0.15 -4.99 117.00 115.54 2jtt n LEU 42 Ca -0.16 -5.05 -0.39 0.00 -0.03 0.00 0.00 56.01 50.38 2jtt n LEU 42 Cb 0.47 -1.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.08 2jtt n LEU 42 CO 0.23 1.38 2.17 0.35 -1.33 0.00 0.00 177.39 180.19 2jtt n THR 43 N 2.60 1.97 0.13 -5.08 -2.24 -1.24 -4.44 114.28 105.98 2jtt n THR 43 Ca 0.24 -1.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 2jtt n THR 43 Cb 0.39 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.33 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 5.63 1.25 -1.68 2.28 -5.35 -1.26 -4.96 119.36 115.28 2jtt n ILE 44 Ca 0.48 -0.22 -0.47 0.00 -0.27 0.00 0.00 62.75 62.27 2jtt n ILE 44 Cb 0.35 -1.18 -0.04 0.00 -1.74 0.00 0.00 39.64 37.02 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 1.16 1.34 3.38 3.28 0.00 -1.26 -1.53 105.19 111.54 2jtt n GLY 45 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 5.18 0.00 -4.87 1.61 7.64 -1.26 -5.03 113.62 116.89 2jtt n SER 46 Ca 0.20 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.77 2jtt n SER 46 Cb 0.30 -0.65 0.01 0.00 -1.01 0.00 0.00 64.21 62.86 2jtt n SER 46 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2jtt s LYS 47 N -0.21 3.57 0.00 1.43 2.20 -0.58 -4.99 119.74 121.16 2jtt s LYS 47 Ca 0.00 0.77 0.23 0.00 -0.36 0.00 0.00 55.97 56.60 2jtt s LYS 47 Cb 0.00 -2.08 0.99 0.00 -1.51 0.00 0.00 37.83 35.24 2jtt s LYS 47 CO 0.00 -0.59 1.73 1.28 -0.36 0.00 0.00 175.35 177.41 2jtt n LEU 48 N -2.74 0.00 0.00 5.43 4.32 -1.26 -4.14 117.00 118.61 2jtt n LEU 48 Ca 0.06 0.48 0.07 0.00 -0.02 0.00 0.00 56.01 56.59 2jtt n LEU 48 Cb 0.54 -0.48 0.35 0.00 -1.62 0.00 0.00 43.42 42.21 2jtt n LEU 48 CO 0.58 -0.10 0.67 0.00 -1.22 0.00 0.00 177.39 177.31 2jtt n GLN 49 N -1.48 0.21 0.27 3.23 6.02 -1.26 -3.32 117.38 121.05 2jtt n GLN 49 Ca 0.06 0.14 0.10 0.00 -0.01 0.00 0.00 57.00 57.29 2jtt n GLN 49 Cb 0.26 -1.50 0.70 0.00 1.02 0.00 0.00 30.24 30.71 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 0.31 1.08 3.58 -1.92 0.16 116.42 119.64 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 0.12 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2jtt h ASP 50 CO 0.00 0.01 -0.18 0.00 -2.88 0.00 0.00 179.24 176.19 2jtt h ALA 51 N 1.99 1.43 0.12 -0.78 0.00 -1.92 0.03 119.26 120.13 2jtt h ALA 51 Ca -0.00 -0.16 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 2jtt h ALA 51 Cb 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jtt h ALA 51 CO 0.00 0.22 -1.29 0.93 0.00 0.00 0.00 179.25 179.11 2jtt h GLU 52 N 0.00 0.25 -0.62 0.00 4.39 -1.00 -3.29 114.58 114.31 2jtt h GLU 52 Ca -0.00 -0.43 -0.09 0.00 0.34 0.00 0.00 59.36 59.19 2jtt h GLU 52 Cb 0.38 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 2jtt h GLU 52 CO 0.02 1.18 0.05 0.82 -1.16 0.00 0.00 179.01 179.92 2jtt h ILE 53 N 0.07 1.26 0.00 3.13 1.08 -0.34 0.98 117.51 123.69 2jtt h ILE 53 Ca -0.15 -1.08 -0.04 0.00 -0.39 0.00 0.00 64.86 63.20 2jtt h ILE 53 Cb 1.97 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 2jtt h ILE 53 CO 0.19 0.40 -0.17 -0.37 -0.69 0.00 0.00 178.15 177.50 2jtt h VAL 54 N 0.98 0.81 0.10 1.67 -1.51 -1.14 0.21 116.25 117.36 2jtt h VAL 54 Ca 0.19 -0.68 -0.28 0.00 -1.23 0.00 0.00 66.70 64.69 2jtt h VAL 54 Cb 0.49 1.40 0.02 0.00 -2.13 0.00 0.00 31.29 31.07 2jtt h VAL 54 CO 0.02 0.17 -1.20 0.50 -1.23 0.00 0.00 177.57 175.83 2jtt h LYS 55 N 0.00 0.51 -0.97 5.19 1.63 -1.51 -2.57 116.57 118.86 2jtt h LYS 55 Ca -0.00 -0.69 -0.00 0.00 -0.85 0.00 0.00 60.65 59.10 2jtt h LYS 55 Cb 0.39 0.23 -0.05 0.00 -0.60 0.00 0.00 32.23 32.20 2jtt h LYS 55 CO 0.02 1.30 0.61 1.25 -3.45 0.00 0.00 179.45 179.18 2jtt h LEU 56 N 0.23 1.15 -0.66 5.20 5.85 -0.28 -0.35 115.31 126.45 2jtt h LEU 56 Ca -0.16 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.51 2jtt h LEU 56 Cb 1.87 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 2jtt h LEU 56 CO 0.22 0.87 0.43 -0.03 -0.34 0.00 0.00 178.44 179.59 2jtt h MET 57 N 1.33 0.85 -0.23 1.25 4.05 -0.68 -0.61 114.93 120.90 2jtt h MET 57 Ca 0.35 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.66 2jtt h MET 57 Cb -0.09 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.51 2jtt h MET 57 CO -0.07 0.56 -0.11 0.22 0.23 0.00 0.00 176.91 177.74 2jtt h ASP 58 N 0.87 0.35 -0.16 1.39 3.58 -0.93 0.19 116.42 121.71 2jtt h ASP 58 Ca 0.24 -0.08 -0.13 0.00 0.42 0.00 0.00 57.03 57.49 2jtt h ASP 58 Cb -0.08 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 2jtt h ASP 58 CO -0.06 0.49 -0.33 0.44 -2.88 0.00 0.00 179.24 176.90 2jtt h ASP 59 N 0.34 0.68 -0.09 2.28 3.32 -0.66 -2.53 116.42 119.76 2jtt h ASP 59 Ca 0.07 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.77 2jtt h ASP 59 Cb 0.41 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2jtt h ASP 59 CO 0.02 0.96 -0.23 -0.07 -1.72 0.00 0.00 179.24 178.20 2jtt h LEU 60 N 0.56 0.36 -1.57 1.55 3.38 -0.82 -3.25 115.31 115.52 2jtt h LEU 60 Ca 0.06 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2jtt h LEU 60 Cb 0.83 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2jtt h LEU 60 CO 0.07 0.88 0.00 0.44 0.09 0.00 0.00 178.44 179.92 2jtt h ASP 61 N -0.14 0.00 0.26 -0.43 3.32 -0.67 -2.71 116.42 116.04 2jtt h ASP 61 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jtt h ASP 61 Cb 0.84 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 2jtt h ASP 61 CO 0.05 0.00 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.47 2jtt h ARG 62 N 0.00 0.00 -0.20 3.56 2.43 -1.48 -1.59 114.38 117.11 2jtt h ARG 62 Ca 0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 2jtt h ARG 62 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2jtt h ARG 62 CO 0.00 0.01 -0.41 -0.91 -1.51 0.00 0.00 179.97 177.15 2jtt h ASN 63 N 0.00 0.70 -1.92 -3.80 2.35 -1.69 -3.47 115.58 107.76 2jtt h ASN 63 Ca -0.00 -0.55 0.15 0.00 -0.55 0.00 0.00 56.30 55.34 2jtt h ASN 63 Cb 0.14 -0.20 -0.27 0.00 0.05 0.00 0.00 38.32 38.04 2jtt h ASN 63 CO 0.00 1.12 0.38 -0.75 -1.65 0.00 0.00 177.43 176.53 2jtt s LYS 64 N -4.03 0.30 0.17 0.81 2.20 -0.63 -5.06 119.74 113.50 2jtt s LYS 64 Ca -0.12 0.60 -0.00 0.00 -0.36 0.00 0.00 55.97 56.09 2jtt s LYS 64 Cb 0.07 0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.59 2jtt s LYS 64 CO 0.83 -0.08 1.39 0.22 -0.36 0.00 0.00 175.35 177.36 2jtt h ASP 65 N 6.46 0.39 0.05 1.43 3.58 -1.83 -3.33 116.42 123.16 2jtt h ASP 65 Ca -0.23 -0.29 -0.00 0.00 0.42 0.00 0.00 57.03 56.93 2jtt h ASP 65 Cb 1.16 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.09 2jtt h ASP 65 CO 0.16 1.06 -0.03 1.56 -2.88 0.00 0.00 179.24 179.11 2jtt h GLN 66 N 0.19 -0.07 -1.96 0.28 7.50 -1.96 -3.40 115.11 115.69 2jtt h GLN 66 Ca -0.04 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.11 2jtt h GLN 66 Cb 1.42 0.02 -0.21 0.00 0.05 0.00 0.00 27.48 28.75 2jtt h GLN 66 CO 0.13 0.39 0.10 -1.83 -1.50 0.00 0.00 178.83 176.13 2jtt s GLU 67 N -4.21 0.74 -0.19 1.46 -1.05 -1.25 -3.78 118.70 110.42 2jtt s GLU 67 Ca -0.15 1.08 -0.20 0.00 -0.15 0.00 0.00 54.97 55.55 2jtt s GLU 67 Cb 0.02 0.26 -0.03 0.00 -0.44 0.00 0.00 34.13 33.93 2jtt s GLU 67 CO 0.64 -0.12 0.57 0.08 0.95 0.00 0.00 175.26 177.38 2jtt s VAL 68 N 1.03 5.07 0.46 1.83 1.01 0.97 -4.71 120.40 126.07 2jtt s VAL 68 Ca -0.05 1.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.80 2jtt s VAL 68 Cb -0.05 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 2jtt s VAL 68 CO -0.10 0.15 0.98 0.21 0.00 0.00 0.00 175.10 176.34 2jtt s ASN 69 N 1.15 6.74 0.29 3.32 3.84 -1.26 -0.90 114.94 128.10 2jtt s ASN 69 Ca 0.26 1.70 0.03 0.00 0.21 0.00 0.00 52.86 55.07 2jtt s ASN 69 Cb -0.16 -2.54 0.72 0.00 -0.55 0.00 0.00 41.25 38.73 2jtt s ASN 69 CO 0.10 -0.50 1.68 0.15 -2.79 0.00 0.00 177.10 175.73 2jtt h PHE 70 N 1.58 0.52 -0.57 0.43 3.57 -1.58 -0.45 116.94 120.44 2jtt h PHE 70 Ca -0.48 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 60.96 2jtt h PHE 70 Cb 1.19 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 2jtt h PHE 70 CO 0.61 -0.12 -0.04 0.37 -2.23 0.00 0.00 178.31 176.91 2jtt h GLN 71 N 0.31 1.03 -0.04 1.11 4.15 -1.94 -1.47 115.11 118.27 2jtt h GLN 71 Ca 0.55 -0.35 -0.16 0.00 0.77 0.00 0.00 58.65 59.47 2jtt h GLN 71 Cb 1.08 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 2jtt h GLN 71 CO -0.58 1.04 -0.68 0.93 -1.93 0.00 0.00 178.83 177.62 2jtt h GLU 72 N 0.92 0.19 -0.86 1.69 3.07 -1.75 -0.60 114.58 117.24 2jtt h GLU 72 Ca 0.16 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2jtt h GLU 72 Cb 0.60 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.50 2jtt h GLU 72 CO 0.04 0.80 0.51 -0.92 -1.40 0.00 0.00 179.01 178.03 2jtt h TYR 73 N 0.13 1.14 -0.24 4.33 3.20 -0.93 -0.64 116.97 123.98 2jtt h TYR 73 Ca -0.02 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.66 2jtt h TYR 73 Cb 1.21 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.11 2jtt h TYR 73 CO 0.02 0.77 -0.59 0.82 -1.64 0.00 0.00 178.16 177.53 2jtt h ILE 74 N 1.19 1.29 -1.01 1.81 2.04 -0.94 -1.85 117.51 120.05 2jtt h ILE 74 Ca 0.31 -1.80 0.11 0.00 1.00 0.00 0.00 64.86 64.48 2jtt h ILE 74 Cb -0.03 1.73 -0.08 0.00 -0.74 0.00 0.00 36.82 37.70 2jtt h ILE 74 CO -0.06 0.58 0.64 0.74 0.00 0.00 0.00 178.15 180.05 2jtt h THR 75 N 0.59 0.96 -0.33 -0.27 2.02 -0.85 -0.04 112.91 114.98 2jtt h THR 75 Ca 0.00 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.70 2jtt h THR 75 Cb 1.19 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2jtt h THR 75 CO 0.13 0.19 -0.27 0.15 0.37 0.00 0.00 175.52 176.08 2jtt h PHE 76 N 1.04 0.91 0.00 3.16 3.57 -1.02 -2.47 116.94 122.14 2jtt h PHE 76 Ca 0.48 -0.26 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 2jtt h PHE 76 Cb 0.42 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 2jtt h PHE 76 CO -0.00 1.02 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.95 2jtt h LEU 77 N 0.54 0.00 -0.58 0.59 3.38 -0.81 -0.35 115.31 118.07 2jtt h LEU 77 Ca 0.06 0.00 -0.07 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 0.08 0.08 1.23 0.09 0.00 0.00 178.44 179.99 2jtt h GLY 78 N 0.30 1.05 0.92 0.83 0.00 -0.74 -0.47 103.07 104.96 2jtt h GLY 78 Ca -0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.58 2jtt h GLY 78 CO 0.01 0.66 0.08 0.00 0.00 0.00 0.00 176.54 177.28 2jtt h ALA 79 N 1.01 0.47 -0.90 3.60 0.00 -0.92 -2.20 119.26 120.31 2jtt h ALA 79 Ca 0.18 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2jtt h ALA 79 Cb 0.43 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2jtt h ALA 79 CO 0.01 0.15 0.57 1.25 0.00 0.00 0.00 179.25 181.24 2jtt h LEU 80 N 0.43 0.91 -0.78 0.00 5.85 -0.89 0.56 115.31 121.38 2jtt h LEU 80 Ca 0.11 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 2jtt h LEU 80 Cb 0.32 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2jtt h LEU 80 CO 0.00 0.59 -0.53 0.00 -0.34 0.00 0.00 178.44 178.17 2jtt h ALA 81 N 1.41 0.97 -0.09 1.25 0.00 -1.07 -2.77 119.26 118.95 2jtt h ALA 81 Ca 0.38 -0.49 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 2jtt h ALA 81 Cb 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jtt h ALA 81 CO -0.16 0.67 -0.86 1.98 0.00 0.00 0.00 179.25 180.89 2jtt h MET 82 N 0.17 0.69 0.00 0.00 1.85 -0.69 -3.24 114.93 113.70 2jtt h MET 82 Ca 0.00 -0.62 0.00 0.00 -0.61 0.00 0.00 59.70 58.48 2jtt h MET 82 Cb 0.99 0.15 0.00 0.00 0.43 0.00 0.00 31.60 33.16 2jtt h MET 82 CO 0.08 1.22 0.00 -0.89 -0.40 0.00 0.00 176.91 176.92 2jtt n ILE 83 N -3.88 0.59 0.23 1.77 5.41 0.11 -3.51 119.36 120.08 2jtt n ILE 83 Ca -0.08 0.01 0.13 0.00 1.00 0.00 0.00 62.75 63.81 2jtt n ILE 83 Cb 0.79 -0.79 0.72 0.00 -0.71 0.00 0.00 39.64 39.64 2jtt n ILE 83 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 2jtt h TYR 84 N 0.00 0.00 0.00 1.39 5.03 -1.52 -3.46 116.97 118.41 2jtt h TYR 84 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2jtt h TYR 84 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.78 2jtt h TYR 84 CO 0.00 0.00 0.00 -1.71 -1.32 0.00 0.00 178.16 175.13 2jtt n ASN 85 N -2.48 0.00 0.10 -2.11 5.15 -1.23 -4.10 115.26 110.58 2jtt n ASN 85 Ca -0.02 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.92 2jtt n ASN 85 Cb 0.14 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.42 2jtt n ASN 85 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2jtt h GLU 86 N 0.00 0.00 -0.61 1.20 5.08 -1.92 -3.35 114.58 114.98 2jtt h GLU 86 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2jtt h GLU 86 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2jtt h GLU 86 CO 0.00 0.81 0.38 0.00 -1.00 0.00 0.00 179.01 179.19 2jtt h ALA 87 N 1.19 0.79 -0.20 3.43 0.00 -1.89 0.15 119.26 122.74 2jtt h ALA 87 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jtt h ALA 87 Cb 1.44 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2jtt h ALA 87 CO 0.11 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.76 2jtt n LEU 88 N -4.72 1.88 0.00 0.00 4.77 -1.26 -3.83 117.00 113.84 2jtt n LEU 88 Ca 0.05 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 2jtt n LEU 88 Cb 0.07 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2jtt n LEU 88 CO 0.33 0.33 -0.46 0.29 -1.33 0.00 0.00 177.39 176.55 2jtt n LYS 89 N 0.17 1.27 0.00 3.23 5.02 -0.52 -5.12 118.16 122.21 2jtt n LYS 89 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2jtt n LYS 89 Cb 0.38 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 2jtt n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29