#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2di0 s SER 2 N 0.00 -0.44 0.15 1.61 0.15 -1.26 -5.15 113.70 108.77 2di0 s SER 2 Ca 0.00 -0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.17 2di0 s SER 2 Cb 0.00 0.67 -0.07 0.00 -1.71 0.00 0.00 66.02 64.91 2di0 s SER 2 CO 0.00 -0.05 1.07 -0.94 1.20 0.00 0.00 173.24 174.51 2di0 s SER 3 N 2.11 7.32 -0.12 5.45 1.04 -1.26 -5.04 113.70 123.21 2di0 s SER 3 Ca 0.17 2.00 0.02 0.00 0.48 0.00 0.00 55.95 58.61 2di0 s SER 3 Cb 0.02 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 63.54 2di0 s SER 3 CO -0.16 -0.19 -0.19 -0.83 0.98 0.00 0.00 173.24 172.85 2di0 s GLY 4 N 0.01 1.42 -0.16 7.32 0.00 -1.26 -5.11 107.32 109.55 2di0 s GLY 4 Ca 0.49 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 44.26 2di0 s GLY 4 CO 0.33 -0.20 -0.18 -0.45 0.00 0.00 0.00 173.10 172.59 2di0 s SER 5 N 0.46 2.94 -0.82 1.64 0.15 -1.26 -5.07 113.70 111.74 2di0 s SER 5 Ca -0.13 -0.58 -0.16 0.00 0.70 0.00 0.00 55.95 55.78 2di0 s SER 5 Cb -0.17 -1.35 0.18 0.00 -1.71 0.00 0.00 66.02 62.97 2di0 s SER 5 CO 0.06 -0.01 0.84 -0.55 1.20 0.00 0.00 173.24 174.78 2di0 s SER 6 N 1.27 6.66 0.00 5.45 0.15 -1.26 -4.72 113.70 121.25 2di0 s SER 6 Ca 0.03 -2.38 0.00 0.00 0.70 0.00 0.00 55.95 54.29 2di0 s SER 6 Cb -0.13 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2di0 s SER 6 CO -0.10 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2di0 n GLY 7 N 4.53 0.47 3.09 9.45 0.00 -1.26 -5.06 105.19 116.40 2di0 n GLY 7 Ca 0.13 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 2di0 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2di0 n MET 8 N 0.00 -1.96 -2.69 1.61 1.56 -1.26 -5.01 117.12 109.36 2di0 n MET 8 Ca 0.00 1.74 -0.03 0.00 -0.27 0.00 0.00 57.70 59.14 2di0 n MET 8 Cb 0.00 -4.84 0.03 0.00 2.15 0.00 0.00 33.22 30.56 2di0 n MET 8 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2di0 n GLY 10 N 2.70 0.37 0.07 0.00 0.00 -1.26 -4.94 105.19 102.13 2di0 n GLY 10 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 2di0 n GLY 10 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2di0 h VAL 11 N 0.00 0.00 -0.99 1.61 2.07 -2.00 -3.19 116.25 113.75 2di0 h VAL 11 Ca 0.00 -0.64 0.12 0.00 0.82 0.00 0.00 66.70 67.00 2di0 h VAL 11 Cb 0.00 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.63 2di0 h VAL 11 CO 0.00 0.00 -0.48 -0.33 0.02 0.00 0.00 177.57 176.78 2di0 h GLU 12 N -0.73 -0.00 -0.71 1.57 5.08 -1.95 0.49 114.58 118.32 2di0 h GLU 12 Ca -0.01 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 2di0 h GLU 12 Cb 0.07 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.19 2di0 h GLU 12 CO 0.02 -0.00 -0.39 1.25 -1.00 0.00 0.00 179.01 178.89 2di0 h LEU 13 N -0.00 -1.36 -0.38 1.33 6.46 -1.88 0.41 115.31 119.89 2di0 h LEU 13 Ca 0.26 0.26 0.08 0.00 -0.12 0.00 0.00 57.88 58.36 2di0 h LEU 13 Cb 0.51 0.67 -0.08 0.00 -0.73 0.00 0.00 40.66 41.04 2di0 h LEU 13 CO -0.96 -0.31 -0.12 -0.78 -0.62 0.00 0.00 178.44 175.65 2di0 h ASP 14 N -0.13 -0.43 -0.35 1.25 1.82 -0.11 -1.72 116.42 116.75 2di0 h ASP 14 Ca 0.25 0.12 0.06 0.00 -0.39 0.00 0.00 57.03 57.07 2di0 h ASP 14 Cb 0.56 0.27 -0.08 0.00 0.68 0.00 0.00 39.33 40.75 2di0 h ASP 14 CO -0.78 -0.15 -0.47 -1.28 -1.61 0.00 0.00 179.24 174.95 2di0 h SER 15 N -0.04 -1.54 -0.35 2.28 0.87 0.17 -0.34 113.55 114.61 2di0 h SER 15 Ca 0.18 0.22 0.04 0.00 -1.23 0.00 0.00 61.79 61.00 2di0 h SER 15 Cb 0.32 0.65 -0.06 0.00 -0.44 0.00 0.00 62.40 62.87 2di0 h SER 15 CO -0.41 -0.39 -0.40 -0.07 -0.53 0.00 0.00 176.83 175.03 2di0 h LEU 16 N -0.38 -1.34 -0.07 2.23 3.38 -0.17 0.37 115.31 119.32 2di0 h LEU 16 Ca 0.11 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.27 2di0 h LEU 16 Cb 0.60 0.56 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2di0 h LEU 16 CO -0.55 -0.26 -0.05 0.40 0.09 0.00 0.00 178.44 178.06 2di0 h ILE 17 N -0.24 0.00 -0.96 1.22 2.04 -0.63 0.26 117.51 119.20 2di0 h ILE 17 Ca 0.06 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.13 2di0 h ILE 17 Cb 0.40 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.30 2di0 h ILE 17 CO -0.45 0.00 -0.16 0.28 0.00 0.00 0.00 178.15 177.82 2di0 h SER 18 N -0.01 -0.76 -0.46 1.72 0.02 -0.48 0.41 113.55 113.99 2di0 h SER 18 Ca 0.01 0.28 0.05 0.00 -0.84 0.00 0.00 61.79 61.29 2di0 h SER 18 Cb 0.04 0.55 -0.08 0.00 0.14 0.00 0.00 62.40 63.06 2di0 h SER 18 CO -0.08 -0.32 -0.52 -0.61 -1.14 0.00 0.00 176.83 174.16 2di0 h GLN 19 N 0.01 -0.30 0.44 3.45 4.15 0.32 1.45 115.11 124.61 2di0 h GLN 19 Ca 0.50 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.92 2di0 h GLN 19 Cb 0.85 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.61 2di0 h GLN 19 CO -0.96 -0.20 -0.21 0.28 -1.93 0.00 0.00 178.83 175.81 2di0 h VAL 20 N -0.31 0.57 -0.69 2.39 2.07 0.47 -2.91 116.25 117.84 2di0 h VAL 20 Ca 0.08 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.62 2di0 h VAL 20 Cb 0.52 0.62 -0.12 0.00 -1.52 0.00 0.00 31.29 30.79 2di0 h VAL 20 CO -0.60 0.02 -0.38 0.50 0.02 0.00 0.00 177.57 177.13 2di0 h LYS 21 N -0.63 -0.14 -1.47 1.57 3.64 0.47 1.69 116.57 121.70 2di0 h LYS 21 Ca -0.06 0.01 0.46 0.00 -1.27 0.00 0.00 60.65 59.79 2di0 h LYS 21 Cb 0.48 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.22 2di0 h LYS 21 CO 0.10 -0.09 0.99 -0.44 -2.27 0.00 0.00 179.45 177.74 2di0 h ASP 22 N -0.14 0.17 0.22 4.20 3.32 0.22 1.77 116.42 126.17 2di0 h ASP 22 Ca 0.24 0.09 -0.35 0.00 0.02 0.00 0.00 57.03 57.04 2di0 h ASP 22 Cb 0.56 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2di0 h ASP 22 CO -0.76 -0.13 -1.90 -0.07 -1.72 0.00 0.00 179.24 174.67 2di0 h LEU 23 N 0.06 0.35 -6.33 1.55 3.38 0.21 -3.41 115.31 111.12 2di0 h LEU 23 Ca 0.83 -0.74 -0.59 0.00 0.09 0.00 0.00 57.88 57.47 2di0 h LEU 23 Cb 2.84 -0.11 -0.41 0.00 0.09 0.00 0.00 40.66 43.07 2di0 h LEU 23 CO -0.29 1.66 -0.79 0.18 0.09 0.00 0.00 178.44 179.29 2di0 n LEU 24 N -3.40 2.04 0.10 1.67 4.77 0.47 -4.89 117.00 117.76 2di0 n LEU 24 Ca -0.27 -5.04 -0.04 0.00 -0.03 0.00 0.00 56.01 50.62 2di0 n LEU 24 Cb 1.05 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 42.05 2di0 n LEU 24 CO 0.44 1.98 0.36 1.55 -1.33 0.00 0.00 177.39 180.39 2di0 h PRO 25 N 4.55 0.05 -0.52 3.23 0.13 0.17 -3.24 132.00 136.37 2di0 h PRO 25 Ca 0.16 -0.05 0.10 0.00 -0.87 0.00 0.00 66.00 65.35 2di0 h PRO 25 Cb 0.77 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.81 2di0 h PRO 25 CO 0.65 0.79 -0.18 -0.44 -0.23 0.00 0.00 178.00 178.59 2di0 h ASP 26 N 0.03 -0.63 -4.19 1.44 5.19 -1.90 -3.41 116.42 112.95 2di0 h ASP 26 Ca -0.01 0.17 -0.53 0.00 -0.62 0.00 0.00 57.03 56.04 2di0 h ASP 26 Cb 1.35 0.38 0.14 0.00 0.18 0.00 0.00 39.33 41.38 2di0 h ASP 26 CO 0.10 -0.21 0.38 -0.76 -3.12 0.00 0.00 179.24 175.63 2di0 s LEU 27 N -10.74 3.31 0.18 1.55 1.43 -1.22 -4.91 118.68 108.28 2di0 s LEU 27 Ca -0.14 2.24 -0.20 0.00 -1.03 0.00 0.00 54.13 54.99 2di0 s LEU 27 Cb 0.17 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.73 2di0 s LEU 27 CO 0.72 -2.12 0.69 -0.83 0.23 0.00 0.00 176.35 175.04 2di0 s GLY 28 N -2.24 2.67 0.20 -3.19 0.00 -0.03 -4.94 107.32 99.80 2di0 s GLY 28 Ca 0.72 0.15 -0.15 0.00 0.00 0.00 0.00 44.72 45.44 2di0 s GLY 28 CO 0.45 0.54 1.62 0.83 0.00 0.00 0.00 173.10 176.54 2di0 h GLU 29 N 3.78 -0.03 -0.98 2.90 5.08 -1.86 0.16 114.58 123.63 2di0 h GLU 29 Ca -0.48 0.00 0.32 0.00 -1.00 0.00 0.00 59.36 58.20 2di0 h GLU 29 Cb 1.20 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.28 2di0 h GLU 29 CO 0.65 -0.02 0.19 0.41 -1.00 0.00 0.00 179.01 179.24 2di0 n GLY 30 N -1.43 -1.14 0.09 -3.84 0.00 0.46 0.20 105.19 99.53 2di0 n GLY 30 Ca 0.07 0.90 -0.10 0.00 0.00 0.00 0.00 46.02 46.89 2di0 n GLY 30 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2di0 h PHE 31 N 0.00 0.21 -0.23 1.61 3.57 -0.47 -2.43 116.94 119.20 2di0 h PHE 31 Ca 0.67 -0.15 -0.13 0.00 3.53 0.00 0.00 57.97 61.89 2di0 h PHE 31 Cb 1.54 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 2di0 h PHE 31 CO -0.34 1.08 -0.39 0.82 -2.23 0.00 0.00 178.31 177.25 2di0 h ILE 32 N 0.04 1.30 0.13 1.41 2.04 0.38 -1.87 117.51 120.94 2di0 h ILE 32 Ca -0.06 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.25 2di0 h ILE 32 Cb 1.78 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 2di0 h ILE 32 CO 0.15 0.49 -0.06 0.25 0.00 0.00 0.00 178.15 178.98 2di0 h LEU 33 N 0.45 -0.15 -0.34 1.44 7.12 0.20 -2.15 115.31 121.88 2di0 h LEU 33 Ca 0.04 -0.37 0.07 0.00 0.13 0.00 0.00 57.88 57.75 2di0 h LEU 33 Cb 0.88 0.04 -0.09 0.00 -0.53 0.00 0.00 40.66 40.97 2di0 h LEU 33 CO 0.08 0.34 -0.36 0.00 -0.13 0.00 0.00 178.44 178.36 2di0 h ALA 34 N 0.04 -0.30 -0.04 1.25 0.00 -1.41 0.24 119.26 119.05 2di0 h ALA 34 Ca -0.02 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2di0 h ALA 34 Cb 0.51 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2di0 h ALA 34 CO 0.03 -0.79 -0.32 0.00 0.00 0.00 0.00 179.25 178.18 2di0 h LEU 36 N -0.37 -2.09 -0.71 0.00 3.38 -0.66 1.31 115.31 116.18 2di0 h LEU 36 Ca 0.01 0.33 0.14 0.00 0.09 0.00 0.00 57.88 58.45 2di0 h LEU 36 Cb 0.41 0.93 -0.13 0.00 0.09 0.00 0.00 40.66 41.96 2di0 h LEU 36 CO -0.23 -0.24 -0.20 -0.33 0.09 0.00 0.00 178.44 177.53 2di0 h GLU 37 N -0.01 -0.02 0.00 1.13 5.08 0.27 1.72 114.58 122.75 2di0 h GLU 37 Ca 0.18 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2di0 h GLU 37 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2di0 h GLU 37 CO -0.93 -0.01 -0.20 -0.92 -1.00 0.00 0.00 179.01 175.94 2di0 h TYR 38 N -0.02 0.00 -1.64 4.33 5.03 0.28 -2.99 116.97 121.96 2di0 h TYR 38 Ca 0.33 0.00 -0.72 0.00 2.58 0.00 0.00 58.73 60.92 2di0 h TYR 38 Cb 0.53 0.00 -0.30 0.00 1.55 0.00 0.00 36.73 38.51 2di0 h TYR 38 CO -0.59 0.20 0.74 0.66 -1.32 0.00 0.00 178.16 177.85 2di0 n TYR 39 N -3.54 3.08 -4.40 -3.82 4.01 0.39 -4.86 117.16 108.03 2di0 n TYR 39 Ca -0.01 -2.58 -0.38 0.00 -0.16 0.00 0.00 57.90 54.77 2di0 n TYR 39 Cb 0.35 -1.10 -0.09 0.00 -0.31 0.00 0.00 39.34 38.20 2di0 n TYR 39 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2di0 n HIS 40 N -0.64 -1.17 -4.00 -0.72 8.25 -0.78 0.12 115.22 116.28 2di0 n HIS 40 Ca 0.54 0.64 -0.27 0.00 -0.26 0.00 0.00 57.72 58.38 2di0 n HIS 40 Cb 0.42 -2.16 -0.03 0.00 1.12 0.00 0.00 29.99 29.34 2di0 n HIS 40 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2di0 n TYR 41 N -4.17 -1.59 -4.88 4.41 4.01 0.49 -4.95 117.16 110.49 2di0 n TYR 41 Ca -0.05 0.71 -0.33 0.00 -0.16 0.00 0.00 57.90 58.07 2di0 n TYR 41 Cb 0.53 -3.58 -0.15 0.00 -0.31 0.00 0.00 39.34 35.83 2di0 n TYR 41 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2di0 s ASP 42 N -4.34 3.80 -0.05 7.72 2.15 0.32 -4.98 116.67 121.29 2di0 s ASP 42 Ca 0.02 -0.38 -0.25 0.00 0.43 0.00 0.00 52.55 52.37 2di0 s ASP 42 Cb -0.01 -1.56 -0.23 0.00 -0.30 0.00 0.00 42.92 40.82 2di0 s ASP 42 CO 0.91 0.16 1.06 1.55 -0.17 0.00 0.00 175.17 178.68 2di0 h PRO 43 N 6.71 0.15 -0.22 4.34 0.13 -1.90 -2.97 132.00 138.24 2di0 h PRO 43 Ca -0.24 -0.14 0.05 0.00 -0.87 0.00 0.00 66.00 64.80 2di0 h PRO 43 Cb 1.22 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 2di0 h PRO 43 CO 0.54 0.86 -0.12 0.93 -0.23 0.00 0.00 178.00 179.98 2di0 h GLU 44 N -0.51 -0.09 0.07 0.86 3.07 -1.96 -1.88 114.58 114.13 2di0 h GLU 44 Ca -0.02 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2di0 h GLU 44 Cb 0.91 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.81 2di0 h GLU 44 CO 0.04 -0.06 -0.41 1.96 -1.40 0.00 0.00 179.01 179.14 2di0 h GLN 45 N -0.10 -0.55 -0.42 2.33 4.20 -1.91 1.23 115.11 119.89 2di0 h GLN 45 Ca 0.12 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.91 2di0 h GLN 45 Cb 0.28 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 2di0 h GLN 45 CO -0.28 -0.36 -0.26 0.28 -0.67 0.00 0.00 178.83 177.53 2di0 h VAL 46 N -0.57 0.00 0.08 -0.54 2.07 -1.32 1.11 116.25 117.09 2di0 h VAL 46 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2di0 h VAL 46 Cb 0.58 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 2di0 h VAL 46 CO -0.23 0.00 -0.44 0.40 0.02 0.00 0.00 177.57 177.31 2di0 h ILE 47 N -0.02 0.12 -0.89 4.57 2.04 -1.07 0.18 117.51 122.43 2di0 h ILE 47 Ca 0.07 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.08 2di0 h ILE 47 Cb 0.19 0.12 -0.15 0.00 -0.74 0.00 0.00 36.82 36.24 2di0 h ILE 47 CO -0.40 0.00 -0.34 0.78 0.00 0.00 0.00 178.15 178.18 2di0 h ASN 48 N -0.65 -1.25 0.57 1.72 2.35 0.32 1.50 115.58 120.13 2di0 h ASN 48 Ca 0.02 0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 2di0 h ASN 48 Cb 0.69 0.68 -0.01 0.00 0.05 0.00 0.00 38.32 39.73 2di0 h ASN 48 CO -0.28 -0.30 -0.47 0.78 -1.65 0.00 0.00 177.43 175.52 2di0 h ASN 49 N -0.04 -1.25 -0.39 5.81 2.35 0.22 1.27 115.58 123.56 2di0 h ASN 49 Ca 0.34 0.09 0.08 0.00 -0.55 0.00 0.00 56.30 56.26 2di0 h ASN 49 Cb 0.60 0.40 -0.09 0.00 0.05 0.00 0.00 38.32 39.28 2di0 h ASN 49 CO -0.91 -0.66 -0.35 0.40 -1.65 0.00 0.00 177.43 174.26 2di0 h ILE 50 N -1.01 0.20 -0.84 2.81 2.04 0.17 1.61 117.51 122.50 2di0 h ILE 50 Ca -0.07 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.87 2di0 h ILE 50 Cb 0.85 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 2di0 h ILE 50 CO -0.00 0.00 0.50 -0.07 0.00 0.00 0.00 178.15 178.58 2di0 h LEU 51 N -0.28 0.75 -1.81 1.44 3.38 0.23 0.39 115.31 119.40 2di0 h LEU 51 Ca 0.16 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2di0 h LEU 51 Cb 0.55 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2di0 h LEU 51 CO -0.54 0.45 0.00 -0.62 0.09 0.00 0.00 178.44 177.82 2di0 n GLU 52 N -4.69 2.39 -2.68 1.13 -0.58 0.44 -4.86 120.64 111.78 2di0 n GLU 52 Ca 0.13 -1.28 -0.06 0.00 -0.42 0.00 0.00 57.16 55.53 2di0 n GLU 52 Cb 0.23 -1.65 -0.01 0.00 -0.57 0.00 0.00 31.44 29.44 2di0 n GLU 52 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2di0 n GLU 53 N 0.31 -2.55 -0.47 3.49 1.02 0.50 -4.68 120.64 118.25 2di0 n GLU 53 Ca 0.11 0.02 0.06 0.00 -0.02 0.00 0.00 57.16 57.33 2di0 n GLU 53 Cb 0.54 -4.25 0.25 0.00 -0.02 0.00 0.00 31.44 27.96 2di0 n GLU 53 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2di0 n ARG 54 N -2.57 3.07 -1.67 3.49 1.74 0.19 -4.94 116.66 115.96 2di0 n ARG 54 Ca 0.02 -1.99 -0.49 0.00 -0.77 0.00 0.00 57.85 54.62 2di0 n ARG 54 Cb 0.46 -1.78 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 2di0 n ARG 54 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2di0 n LEU 55 N 0.62 3.07 -4.33 0.55 4.77 -1.25 -4.89 117.00 115.54 2di0 n LEU 55 Ca 0.18 1.03 -0.33 0.00 -0.03 0.00 0.00 56.01 56.86 2di0 n LEU 55 Cb 0.71 -1.36 0.11 0.00 -2.33 0.00 0.00 43.42 40.56 2di0 n LEU 55 CO 0.18 -0.26 -0.37 0.00 -1.33 0.00 0.00 177.39 175.61 2di0 n ALA 56 N 5.00 -3.29 0.68 -1.18 0.00 -1.26 -4.48 120.51 115.97 2di0 n ALA 56 Ca 0.21 -0.70 0.11 0.00 0.00 0.00 0.00 53.44 53.06 2di0 n ALA 56 Cb 0.27 -1.64 0.46 0.00 0.00 0.00 0.00 19.45 18.54 2di0 n ALA 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2di0 n PRO 57 N -0.96 0.07 -0.00 0.00 -0.04 -1.26 0.03 135.00 132.84 2di0 n PRO 57 Ca 0.05 0.19 -0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2di0 n PRO 57 Cb 0.55 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 2di0 n PRO 57 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2di0 n THR 58 N -1.74 1.02 -0.10 0.52 -1.04 -1.26 -3.78 114.28 107.89 2di0 n THR 58 Ca 0.05 -0.69 -0.24 0.00 -2.04 0.00 0.00 64.05 61.13 2di0 n THR 58 Cb 0.28 -0.55 -0.11 0.00 -1.82 0.00 0.00 70.33 68.13 2di0 n THR 58 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2di0 n LEU 59 N -2.75 2.04 0.25 -4.42 4.77 -1.07 -2.91 117.00 112.91 2di0 n LEU 59 Ca -0.14 0.34 0.18 0.00 -0.03 0.00 0.00 56.01 56.37 2di0 n LEU 59 Cb 0.86 -0.94 0.84 0.00 -2.33 0.00 0.00 43.42 41.84 2di0 n LEU 59 CO 0.43 0.46 1.15 -1.28 -1.33 0.00 0.00 177.39 176.83 2di0 h SER 60 N -0.82 0.00 0.28 -1.43 0.87 -0.61 0.24 113.55 112.08 2di0 h SER 60 Ca -0.47 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 59.76 2di0 h SER 60 Cb 1.51 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.43 2di0 h SER 60 CO -0.23 0.00 -1.91 0.00 -0.53 0.00 0.00 176.83 174.16 2di0 n GLN 61 N -3.26 0.69 -0.84 2.24 10.64 -1.25 -4.93 117.38 120.67 2di0 n GLN 61 Ca 0.01 0.26 -0.35 0.00 -1.83 0.00 0.00 57.00 55.09 2di0 n GLN 61 Cb 0.41 -1.73 0.10 0.00 -0.86 0.00 0.00 30.24 28.16 2di0 n GLN 61 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2di0 n LEU 62 N -3.23 -2.63 -4.58 2.61 4.77 0.85 -4.73 117.00 110.04 2di0 n LEU 62 Ca -0.26 0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.42 2di0 n LEU 62 Cb 1.05 -0.91 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2di0 n LEU 62 CO 0.43 -3.85 1.54 -0.62 -1.33 0.00 0.00 177.39 173.57 2di0 s ASP 63 N -1.56 5.72 0.58 -1.43 -1.08 -1.26 -4.81 116.67 112.83 2di0 s ASP 63 Ca 0.49 1.00 0.30 0.00 -0.52 0.00 0.00 52.55 53.81 2di0 s ASP 63 Cb -0.12 -2.53 1.41 0.00 -1.46 0.00 0.00 42.92 40.22 2di0 s ASP 63 CO 0.70 -1.90 1.80 0.03 0.52 0.00 0.00 175.17 176.32 2di0 h ARG 64 N 13.45 0.00 -1.27 4.34 3.08 -1.88 0.53 114.38 132.62 2di0 h ARG 64 Ca -0.31 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.13 2di0 h ARG 64 Cb 1.16 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.83 2di0 h ARG 64 CO 1.09 0.00 -0.28 0.27 -1.07 0.00 0.00 179.97 179.98 2di0 n ASN 65 N -3.74 5.60 -4.75 7.04 6.94 -1.26 -0.85 115.26 124.25 2di0 n ASN 65 Ca 0.13 -3.76 -0.41 0.00 -0.02 0.00 0.00 54.58 50.53 2di0 n ASN 65 Cb 0.89 -0.58 -0.04 0.00 -2.36 0.00 0.00 39.78 37.68 2di0 n ASN 65 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2di0 s LEU 66 N -3.68 4.52 0.41 -4.53 2.96 0.19 -4.67 118.68 113.88 2di0 s LEU 66 Ca 0.52 2.24 0.07 0.00 -0.22 0.00 0.00 54.13 56.74 2di0 s LEU 66 Cb 0.42 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 43.50 2di0 s LEU 66 CO -0.13 -0.20 0.56 -0.62 -1.32 0.00 0.00 176.35 174.64 2di0 s ASP 67 N -0.54 5.70 -0.26 3.68 2.15 -1.26 0.18 116.67 126.31 2di0 s ASP 67 Ca 0.47 -0.35 -0.10 0.00 0.43 0.00 0.00 52.55 52.99 2di0 s ASP 67 Cb -0.32 -0.78 -0.05 0.00 -0.30 0.00 0.00 42.92 41.48 2di0 s ASP 67 CO 0.39 -0.72 0.16 -0.13 -0.17 0.00 0.00 175.17 174.70 2di0 s ARG 68 N -4.34 3.95 -0.24 4.34 1.81 -1.26 -3.95 118.95 119.25 2di0 s ARG 68 Ca 0.53 -0.33 -0.29 0.00 -1.72 0.00 0.00 55.73 53.93 2di0 s ARG 68 Cb -0.10 -3.55 -0.02 0.00 -0.45 0.00 0.00 34.95 30.83 2di0 s ARG 68 CO 0.33 -0.08 1.53 -1.21 -0.68 0.00 0.00 175.30 175.19 2di0 s GLU 69 N 1.45 3.82 0.63 3.54 0.41 -1.26 -4.74 118.70 122.56 2di0 s GLU 69 Ca 0.07 1.54 0.00 0.00 -0.41 0.00 0.00 54.97 56.17 2di0 s GLU 69 Cb -0.15 -3.99 0.00 0.00 -1.78 0.00 0.00 34.13 28.21 2di0 s GLU 69 CO 0.07 -1.25 0.00 -1.33 -0.49 0.00 0.00 175.26 172.26 2di0 n MET 70 N 7.57 -3.69 0.00 1.61 2.81 -1.26 -5.22 117.12 118.94 2di0 n MET 70 Ca 0.18 2.97 0.00 0.00 -1.81 0.00 0.00 57.70 59.04 2di0 n MET 70 Cb 0.46 -4.05 0.00 0.00 -0.71 0.00 0.00 33.22 28.92 2di0 n MET 70 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57