#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1a h SER 2 N 0.00 0.00 -3.42 1.61 0.02 -2.03 -3.43 113.55 106.30 1p1a h SER 2 Ca 0.00 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.51 1p1a h SER 2 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 1p1a h SER 2 CO 0.00 0.02 -0.65 -1.00 -1.14 0.00 0.00 176.83 174.06 1p1a s HIS 3 N -4.47 1.79 0.08 3.45 0.09 -1.26 -4.36 115.29 110.62 1p1a s HIS 3 Ca -0.05 -0.87 0.02 0.00 -0.00 0.00 0.00 55.06 54.17 1p1a s HIS 3 Cb 0.14 -1.07 -0.04 0.00 -0.00 0.00 0.00 32.58 31.61 1p1a s HIS 3 CO 0.53 0.07 -0.08 0.00 -0.00 0.00 0.00 174.74 175.26 1p1a s MET 4 N -3.83 0.76 0.01 1.40 0.00 0.08 -4.81 119.30 112.91 1p1a s MET 4 Ca 0.31 -1.14 0.06 0.00 0.00 0.00 0.00 55.69 54.92 1p1a s MET 4 Cb 0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 34.83 34.54 1p1a s MET 4 CO 0.12 0.03 -0.17 -1.14 0.00 0.00 0.00 175.02 173.85 1p1a s GLN 5 N -2.97 2.21 0.05 3.16 0.74 -1.26 -1.59 119.66 120.01 1p1a s GLN 5 Ca 0.04 -0.89 0.03 0.00 0.05 0.00 0.00 55.36 54.60 1p1a s GLN 5 Cb -0.01 -2.24 -0.03 0.00 1.10 0.00 0.00 33.01 31.83 1p1a s GLN 5 CO -0.02 0.57 -0.10 0.08 -0.55 0.00 0.00 175.29 175.27 1p1a s VAL 6 N -0.86 0.74 -0.20 1.34 1.01 0.20 -3.62 120.40 119.01 1p1a s VAL 6 Ca 0.14 -1.18 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 1p1a s VAL 6 Cb -0.11 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1p1a s VAL 6 CO 0.04 -0.34 0.06 -0.89 0.00 0.00 0.00 175.10 173.96 1p1a s THR 7 N -1.40 4.57 -0.13 3.92 2.01 -1.25 -1.99 115.64 121.37 1p1a s THR 7 Ca -0.07 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.85 1p1a s THR 7 Cb -0.10 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.35 1p1a s THR 7 CO 0.01 0.43 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.40 1p1a s LEU 8 N 0.71 2.03 -0.04 4.42 1.43 0.25 -0.64 118.68 126.85 1p1a s LEU 8 Ca 0.03 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 1p1a s LEU 8 Cb -0.13 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1p1a s LEU 8 CO 0.02 0.07 0.18 -0.54 0.23 0.00 0.00 176.35 176.32 1p1a s LYS 9 N 0.81 3.46 0.29 1.70 1.02 0.22 -1.29 119.74 125.96 1p1a s LYS 9 Ca -0.08 -0.23 0.07 0.00 0.02 0.00 0.00 55.97 55.75 1p1a s LYS 9 Cb -0.16 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 1p1a s LYS 9 CO -0.01 0.70 0.28 0.95 -0.92 0.00 0.00 175.35 176.36 1p1a s THR 10 N -1.23 4.11 0.54 2.17 -4.23 -0.37 -1.29 115.64 115.34 1p1a s THR 10 Ca 0.24 -1.30 0.26 0.00 -1.18 0.00 0.00 61.69 59.71 1p1a s THR 10 Cb -0.13 -3.36 0.32 0.00 1.34 0.00 0.00 72.50 70.67 1p1a s THR 10 CO 0.14 -0.25 2.20 -0.07 -0.54 0.00 0.00 174.62 176.09 1p1a h LEU 11 N 1.29 0.00 0.00 4.79 3.38 -1.91 -2.16 115.31 120.70 1p1a h LEU 11 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1p1a h LEU 11 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1p1a h LEU 11 CO 0.59 0.03 0.00 0.00 0.09 0.00 0.00 178.44 179.15 1p1a n GLN 12 N -3.98 1.00 -3.34 1.13 3.00 -1.26 -4.92 117.38 109.01 1p1a n GLN 12 Ca -0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.79 1p1a n GLN 12 Cb 0.12 -1.10 0.07 0.00 0.00 0.00 0.00 30.24 29.33 1p1a n GLN 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1p1a n GLN 13 N -0.60 -6.28 -4.29 -1.09 6.02 -0.81 -5.04 117.38 105.28 1p1a n GLN 13 Ca 0.05 0.72 -0.21 0.00 -0.01 0.00 0.00 57.00 57.54 1p1a n GLN 13 Cb 0.02 -5.40 -0.12 0.00 1.02 0.00 0.00 30.24 25.77 1p1a n GLN 13 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1p1a s GLN 14 N -5.65 1.16 0.00 -1.09 0.74 -1.26 -4.97 119.66 108.59 1p1a s GLN 14 Ca 0.26 -1.29 0.03 0.00 0.05 0.00 0.00 55.36 54.41 1p1a s GLN 14 Cb -0.11 -1.24 -0.01 0.00 1.10 0.00 0.00 33.01 32.75 1p1a s GLN 14 CO 0.63 0.26 -0.10 0.99 -0.55 0.00 0.00 175.29 176.51 1p1a s THR 15 N -1.79 0.82 0.23 -0.34 2.01 -1.26 -1.23 115.64 114.08 1p1a s THR 15 Ca 0.11 -0.57 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 1p1a s THR 15 Cb -0.07 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 1p1a s THR 15 CO 0.05 0.14 0.21 0.72 -0.69 0.00 0.00 174.62 175.04 1p1a s PHE 16 N -0.43 1.11 -0.09 4.92 -0.71 -0.41 -4.97 117.98 117.41 1p1a s PHE 16 Ca 0.02 -1.32 0.01 0.00 -1.04 0.00 0.00 56.93 54.60 1p1a s PHE 16 Cb -0.05 -0.46 0.02 0.00 -1.21 0.00 0.00 43.02 41.32 1p1a s PHE 16 CO -0.00 -0.73 -0.09 0.15 -1.34 0.00 0.00 175.22 173.20 1p1a s LYS 17 N -4.02 1.56 0.14 1.99 -0.14 -1.26 -0.58 119.74 117.42 1p1a s LYS 17 Ca 0.37 -0.31 -0.01 0.00 -1.36 0.00 0.00 55.97 54.65 1p1a s LYS 17 Cb 0.05 -1.46 -0.04 0.00 -1.68 0.00 0.00 37.83 34.70 1p1a s LYS 17 CO 0.14 -0.13 0.08 0.96 -0.76 0.00 0.00 175.35 175.64 1p1a s ILE 18 N 1.20 0.09 -0.00 2.17 -5.25 -0.84 -5.00 121.20 113.56 1p1a s ILE 18 Ca -0.05 -1.89 -0.01 0.00 -0.99 0.00 0.00 60.65 57.72 1p1a s ILE 18 Cb -0.14 -2.08 -0.00 0.00 2.95 0.00 0.00 42.46 43.19 1p1a s ILE 18 CO -0.02 -0.41 0.02 1.51 -1.79 0.00 0.00 174.94 174.24 1p1a s ASP 19 N -3.05 0.03 0.22 4.36 -4.77 -1.26 -0.63 116.67 111.57 1p1a s ASP 19 Ca 0.25 -0.06 -0.07 0.00 -3.30 0.00 0.00 52.55 49.37 1p1a s ASP 19 Cb 0.07 0.06 -0.02 0.00 -1.09 0.00 0.00 42.92 41.94 1p1a s ASP 19 CO 0.03 -0.07 0.31 0.27 0.70 0.00 0.00 175.17 176.40 1p1a s ILE 20 N -0.30 0.00 0.22 2.11 -0.00 -0.62 -4.97 121.20 117.64 1p1a s ILE 20 Ca -0.03 -1.71 -0.31 0.00 -0.00 0.00 0.00 60.65 58.60 1p1a s ILE 20 Cb -0.02 -2.36 -0.11 0.00 -0.00 0.00 0.00 42.46 39.98 1p1a s ILE 20 CO -0.00 0.00 1.56 -1.81 -0.00 0.00 0.00 174.94 174.69 1p1a s ASP 21 N -3.09 6.53 0.40 4.36 1.11 -1.26 -0.74 116.67 123.97 1p1a s ASP 21 Ca 0.31 2.73 0.17 0.00 0.18 0.00 0.00 52.55 55.94 1p1a s ASP 21 Cb 0.03 -2.61 0.84 0.00 1.07 0.00 0.00 42.92 42.25 1p1a s ASP 21 CO 0.11 -0.83 1.85 1.55 1.18 0.00 0.00 175.17 179.03 1p1a h PRO 22 N 5.92 0.00 0.00 8.23 0.13 -1.87 -2.60 132.00 141.80 1p1a h PRO 22 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1p1a h PRO 22 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1p1a h PRO 22 CO 0.86 0.33 0.00 0.39 -0.23 0.00 0.00 178.00 179.35 1p1a n GLU 23 N -3.90 0.01 -3.46 0.86 -0.58 -1.26 -1.91 120.64 110.40 1p1a n GLU 23 Ca -0.02 0.07 -0.25 0.00 -0.42 0.00 0.00 57.16 56.54 1p1a n GLU 23 Cb 0.40 -1.51 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 1p1a n GLU 23 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1p1a s GLU 24 N -3.00 3.52 0.78 3.49 2.56 -0.98 -4.73 118.70 120.33 1p1a s GLU 24 Ca 0.12 -0.28 -0.12 0.00 0.00 0.00 0.00 54.97 54.69 1p1a s GLU 24 Cb 0.16 -2.70 0.06 0.00 2.00 0.00 0.00 34.13 33.65 1p1a s GLU 24 CO 0.46 0.22 1.13 0.95 -0.56 0.00 0.00 175.26 177.47 1p1a s THR 25 N -2.17 2.69 0.58 -1.70 -4.23 -1.26 -0.99 115.64 108.56 1p1a s THR 25 Ca 0.40 0.22 0.28 0.00 -1.18 0.00 0.00 61.69 61.41 1p1a s THR 25 Cb -0.10 -3.16 0.36 0.00 1.34 0.00 0.00 72.50 70.94 1p1a s THR 25 CO 0.33 -0.29 2.06 0.58 -0.54 0.00 0.00 174.62 176.76 1p1a h VAL 26 N -0.96 0.50 -0.81 2.29 2.07 -1.65 -1.81 116.25 115.88 1p1a h VAL 26 Ca -0.46 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.24 1p1a h VAL 26 Cb 1.29 0.80 -0.12 0.00 -1.52 0.00 0.00 31.29 31.74 1p1a h VAL 26 CO 0.64 0.00 0.26 0.50 0.02 0.00 0.00 177.57 178.99 1p1a h LYS 27 N 0.00 0.31 -0.17 1.57 3.64 -1.83 0.10 116.57 120.19 1p1a h LYS 27 Ca 0.12 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1p1a h LYS 27 Cb 0.64 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1p1a h LYS 27 CO -0.00 0.21 -0.00 0.00 -2.27 0.00 0.00 179.45 177.38 1p1a h ALA 28 N 1.66 0.24 -0.85 5.00 0.00 -1.69 0.13 119.26 123.75 1p1a h ALA 28 Ca 0.48 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1p1a h ALA 28 Cb 0.86 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1p1a h ALA 28 CO -0.53 -0.05 0.56 1.25 0.00 0.00 0.00 179.25 180.48 1p1a h LEU 29 N 0.06 0.92 0.22 0.00 5.85 -1.57 -2.34 115.31 118.45 1p1a h LEU 29 Ca 0.05 -0.01 -0.33 0.00 0.84 0.00 0.00 57.88 58.43 1p1a h LEU 29 Cb 0.39 -0.21 0.03 0.00 0.37 0.00 0.00 40.66 41.23 1p1a h LEU 29 CO 0.01 0.64 -1.49 0.50 -0.34 0.00 0.00 178.44 177.75 1p1a h LYS 30 N 1.07 0.47 -0.50 1.25 3.11 -0.60 -3.33 116.57 118.05 1p1a h LYS 30 Ca 0.33 -0.81 -0.06 0.00 -2.81 0.00 0.00 60.65 57.30 1p1a h LYS 30 Cb 0.01 0.30 -0.02 0.00 -1.00 0.00 0.00 32.23 31.52 1p1a h LYS 30 CO -0.10 1.38 0.06 0.93 -2.81 0.00 0.00 179.45 178.92 1p1a h GLU 31 N 0.13 0.84 0.00 1.90 5.08 -0.74 -3.31 114.58 118.48 1p1a h GLU 31 Ca -0.25 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 1p1a h GLU 31 Cb 2.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.28 1p1a h GLU 31 CO 0.25 0.85 -0.27 1.57 -1.00 0.00 0.00 179.01 180.40 1p1a h LYS 32 N 0.72 0.00 0.00 2.33 5.09 -1.53 -2.80 116.57 120.38 1p1a h LYS 32 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.89 1p1a h LYS 32 Cb 0.43 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.76 1p1a h LYS 32 CO 0.01 0.27 -0.02 -0.84 -2.09 0.00 0.00 179.45 176.79 1p1a h ILE 33 N 0.00 0.00 -0.33 0.07 -0.00 -1.66 -2.83 117.51 112.76 1p1a h ILE 33 Ca -0.00 -0.84 0.01 0.00 -0.00 0.00 0.00 64.86 64.02 1p1a h ILE 33 Cb 0.49 1.83 -0.02 0.00 -0.00 0.00 0.00 36.82 39.13 1p1a h ILE 33 CO 0.04 0.00 0.22 -0.08 -0.00 0.00 0.00 178.15 178.32 1p1a h GLU 34 N 0.00 0.42 0.00 0.16 4.81 -1.62 -0.02 114.58 118.34 1p1a h GLU 34 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1p1a h GLU 34 Cb 0.92 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1p1a h GLU 34 CO 0.00 0.28 0.00 0.77 -0.73 0.00 0.00 179.01 179.33 1p1a h SER 35 N 0.43 0.00 0.00 1.04 0.02 -1.61 -0.47 113.55 112.96 1p1a h SER 35 Ca 0.12 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.70 1p1a h SER 35 Cb -0.03 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.44 1p1a h SER 35 CO -0.03 0.00 -2.42 -0.62 -1.14 0.00 0.00 176.83 172.62 1p1a n GLU 36 N -2.49 0.68 0.00 3.45 -0.58 -0.56 -4.73 120.64 116.41 1p1a n GLU 36 Ca 0.03 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1p1a n GLU 36 Cb 0.31 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1p1a n GLU 36 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1p1a n LYS 37 N -2.95 5.04 0.00 3.49 4.76 -0.13 -5.12 118.16 123.26 1p1a n LYS 37 Ca -0.38 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.06 1p1a n LYS 37 Cb 1.09 -0.62 0.00 0.00 -1.84 0.00 0.00 35.03 33.67 1p1a n LYS 37 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1p1a n GLY 38 N 1.35 0.64 0.44 0.72 0.00 -0.19 -4.36 105.19 103.79 1p1a n GLY 38 Ca 0.00 -1.60 0.25 0.00 0.00 0.00 0.00 46.02 44.68 1p1a n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1p1a h LYS 39 N 0.00 0.23 0.00 1.61 1.63 -1.82 -0.55 116.57 117.67 1p1a h LYS 39 Ca 0.00 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1p1a h LYS 39 Cb 0.00 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1p1a h LYS 39 CO 0.00 0.15 -0.04 -0.44 -3.45 0.00 0.00 179.45 175.67 1p1a h ASP 40 N 0.23 0.00 0.00 4.20 3.32 -1.94 -3.23 116.42 119.00 1p1a h ASP 40 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1p1a h ASP 40 Cb 1.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.15 1p1a h ASP 40 CO -0.15 0.04 -0.66 0.00 -1.72 0.00 0.00 179.24 176.75 1p1a n ALA 41 N -2.13 1.66 -3.19 3.45 0.00 -0.75 -4.92 120.51 114.63 1p1a n ALA 41 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.23 1p1a n ALA 41 Cb 0.24 0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 1p1a n ALA 41 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1p1a n PHE 42 N -1.49 -0.06 -1.99 0.00 3.72 -0.29 -4.90 117.46 112.44 1p1a n PHE 42 Ca 0.00 -3.70 -0.42 0.00 -0.05 0.00 0.00 57.45 53.28 1p1a n PHE 42 Cb 0.33 -0.38 -0.03 0.00 -0.94 0.00 0.00 39.48 38.46 1p1a n PHE 42 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1p1a s PRO 43 N -1.90 4.25 0.38 -1.08 0.04 -1.22 -4.41 135.00 131.05 1p1a s PRO 43 Ca 0.38 2.29 0.12 0.00 0.04 0.00 0.00 61.00 63.84 1p1a s PRO 43 Cb 0.28 -3.16 0.93 0.00 0.04 0.00 0.00 34.50 32.58 1p1a s PRO 43 CO -0.09 -0.53 1.87 0.28 0.04 0.00 0.00 177.00 178.56 1p1a h VAL 44 N 3.96 0.77 0.00 -0.36 2.07 -1.91 -0.26 116.25 120.52 1p1a h VAL 44 Ca -0.43 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1p1a h VAL 44 Cb 1.21 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1p1a h VAL 44 CO 0.88 0.10 0.00 0.00 0.02 0.00 0.00 177.57 178.57 1p1a n ALA 45 N -2.46 1.64 -1.94 1.67 0.00 -1.26 -3.99 120.51 114.17 1p1a n ALA 45 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1p1a n ALA 45 Cb 0.55 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1p1a n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1a n GLY 46 N -0.05 0.43 3.60 0.00 0.00 -0.20 -5.07 105.19 103.90 1p1a n GLY 46 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1p1a n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1p1a s GLN 47 N 0.00 2.16 0.05 1.61 -2.07 -0.65 -1.08 119.66 119.69 1p1a s GLN 47 Ca 0.00 -1.37 -0.01 0.00 -1.82 0.00 0.00 55.36 52.16 1p1a s GLN 47 Cb 0.00 -2.14 -0.04 0.00 -1.09 0.00 0.00 33.01 29.74 1p1a s GLN 47 CO 0.00 0.39 -0.02 0.15 -1.32 0.00 0.00 175.29 174.49 1p1a s LYS 48 N -3.29 0.63 0.01 9.60 -0.14 0.51 -4.94 119.74 122.11 1p1a s LYS 48 Ca 0.29 -1.22 -0.00 0.00 -1.36 0.00 0.00 55.97 53.67 1p1a s LYS 48 Cb -0.07 0.21 -0.01 0.00 -1.68 0.00 0.00 37.83 36.28 1p1a s LYS 48 CO 0.18 -0.12 -0.02 -0.51 -0.76 0.00 0.00 175.35 174.12 1p1a s LEU 49 N -2.92 2.14 -0.01 3.17 1.02 -1.26 -1.20 118.68 119.62 1p1a s LEU 49 Ca 0.08 -0.29 0.02 0.00 0.02 0.00 0.00 54.13 53.95 1p1a s LEU 49 Cb 0.08 0.06 -0.00 0.00 0.02 0.00 0.00 46.19 46.35 1p1a s LEU 49 CO -0.10 -0.18 -0.07 -0.63 0.02 0.00 0.00 176.35 175.40 1p1a s ILE 50 N -0.86 0.52 -0.16 -0.59 -1.09 -0.59 -2.79 121.20 115.64 1p1a s ILE 50 Ca -0.09 -0.28 -0.16 0.00 -2.23 0.00 0.00 60.65 57.89 1p1a s ILE 50 Cb -0.06 -0.45 -0.05 0.00 -1.58 0.00 0.00 42.46 40.32 1p1a s ILE 50 CO -0.01 0.15 -0.30 0.00 -1.23 0.00 0.00 174.94 173.55 1p1a n TYR 51 N 2.97 0.02 -2.25 3.97 9.36 -1.15 -0.46 117.16 129.62 1p1a n TYR 51 Ca -0.14 0.01 0.02 0.00 3.32 0.00 0.00 57.90 61.11 1p1a n TYR 51 Cb 0.57 -0.45 0.01 0.00 -0.63 0.00 0.00 39.34 38.84 1p1a n TYR 51 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1p1a n ALA 52 N -4.20 2.22 0.00 2.98 0.00 -1.26 -4.54 120.51 115.71 1p1a n ALA 52 Ca -0.12 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.67 1p1a n ALA 52 Cb 0.45 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1p1a n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1a n GLY 53 N 0.25 0.72 3.89 0.00 0.00 -1.26 -5.11 105.19 103.68 1p1a n GLY 53 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1p1a n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p1a s LYS 54 N -0.87 3.21 -0.35 1.61 -2.85 -1.26 -5.11 119.74 114.13 1p1a s LYS 54 Ca 0.00 -0.75 -0.14 0.00 -1.00 0.00 0.00 55.97 54.08 1p1a s LYS 54 Cb 0.00 -2.81 -0.01 0.00 -2.06 0.00 0.00 37.83 32.95 1p1a s LYS 54 CO 0.00 0.49 0.29 0.42 0.10 0.00 0.00 175.35 176.64 1p1a s ILE 55 N -1.81 5.25 0.10 3.79 -1.09 -1.26 -2.94 121.20 123.23 1p1a s ILE 55 Ca 0.33 -0.20 -0.31 0.00 -2.23 0.00 0.00 60.65 58.24 1p1a s ILE 55 Cb -0.10 -3.78 -0.07 0.00 -1.58 0.00 0.00 42.46 36.93 1p1a s ILE 55 CO 0.27 -0.08 1.32 -0.76 -1.23 0.00 0.00 174.94 174.46 1p1a s LEU 56 N 1.81 4.37 -0.05 2.97 1.43 -1.12 -5.02 118.68 123.08 1p1a s LEU 56 Ca 0.08 2.23 0.07 0.00 -1.03 0.00 0.00 54.13 55.47 1p1a s LEU 56 Cb -0.17 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 1p1a s LEU 56 CO 0.11 -0.59 -0.25 0.21 0.23 0.00 0.00 176.35 176.06 1p1a s ASN 57 N 1.05 3.02 0.38 2.29 2.47 -1.26 -4.66 114.94 118.24 1p1a s ASN 57 Ca 0.62 -0.49 0.26 0.00 0.42 0.00 0.00 52.86 53.67 1p1a s ASN 57 Cb -0.34 -0.69 1.38 0.00 -1.45 0.00 0.00 41.25 40.15 1p1a s ASN 57 CO 0.30 0.26 1.80 -0.78 -3.72 0.00 0.00 177.10 174.97 1p1a h ASP 58 N 5.91 0.00 -0.04 -4.21 3.58 -1.95 -3.03 116.42 116.68 1p1a h ASP 58 Ca -0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.10 1p1a h ASP 58 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1p1a h ASP 58 CO 0.47 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 176.16 1p1a n ASP 59 N -2.43 1.78 -4.12 2.28 2.03 -1.26 -3.96 116.55 110.88 1p1a n ASP 59 Ca -0.01 -1.63 -0.22 0.00 0.52 0.00 0.00 54.79 53.45 1p1a n ASP 59 Cb 0.07 -0.03 -0.15 0.00 -0.72 0.00 0.00 41.12 40.30 1p1a n ASP 59 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1p1a s THR 60 N -0.67 1.15 0.45 5.18 2.01 -1.14 -5.00 115.64 117.62 1p1a s THR 60 Ca 0.04 -0.69 -0.24 0.00 0.31 0.00 0.00 61.69 61.11 1p1a s THR 60 Cb 0.02 -0.98 -0.08 0.00 0.01 0.00 0.00 72.50 71.48 1p1a s THR 60 CO 0.03 0.27 1.20 0.00 -0.69 0.00 0.00 174.62 175.43 1p1a s ALA 61 N -0.43 3.03 0.28 7.40 0.00 -1.26 -3.11 121.76 127.67 1p1a s ALA 61 Ca 0.05 1.01 -0.01 0.00 0.00 0.00 0.00 51.96 53.02 1p1a s ALA 61 Cb -0.06 -3.41 0.63 0.00 0.00 0.00 0.00 23.12 20.28 1p1a s ALA 61 CO -0.00 -0.71 1.64 -0.07 0.00 0.00 0.00 175.76 176.61 1p1a h LEU 62 N 2.20 -0.14 -1.69 0.00 -0.00 -0.95 -1.91 115.31 112.82 1p1a h LEU 62 Ca -0.49 0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 57.58 1p1a h LEU 62 Cb 1.25 0.31 -0.00 0.00 -0.00 0.00 0.00 40.66 42.21 1p1a h LEU 62 CO 0.61 -0.18 -0.05 0.07 -0.00 0.00 0.00 178.44 178.89 1p1a h LYS 63 N 0.16 0.00 0.00 1.13 -0.00 -1.68 -3.06 116.57 113.12 1p1a h LYS 63 Ca 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 61.11 1p1a h LYS 63 Cb 1.00 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.22 1p1a h LYS 63 CO -0.68 0.05 -0.26 0.93 -0.00 0.00 0.00 179.45 179.50 1p1a h GLU 64 N 0.00 0.00 -0.00 0.07 4.39 -1.65 -2.30 114.58 115.10 1p1a h GLU 64 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1p1a h GLU 64 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1p1a h GLU 64 CO 0.01 0.26 -0.10 0.66 -1.16 0.00 0.00 179.01 178.68 1p1a n TYR 65 N -3.69 0.00 -3.79 4.33 4.01 -1.15 -4.96 117.16 111.90 1p1a n TYR 65 Ca -0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.47 1p1a n TYR 65 Cb 0.37 -0.35 0.03 0.00 -0.31 0.00 0.00 39.34 39.09 1p1a n TYR 65 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1p1a n LYS 66 N -1.34 -5.31 -2.17 -0.72 5.02 -0.86 -5.00 118.16 107.78 1p1a n LYS 66 Ca 0.10 0.62 -0.37 0.00 -2.02 0.00 0.00 58.31 56.64 1p1a n LYS 66 Cb 0.30 -5.34 0.00 0.00 -0.02 0.00 0.00 35.03 29.98 1p1a n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1p1a s ILE 67 N -3.49 2.93 -0.00 -0.18 1.01 -1.26 -5.07 121.20 115.14 1p1a s ILE 67 Ca 0.32 0.66 0.02 0.00 0.00 0.00 0.00 60.65 61.65 1p1a s ILE 67 Cb -0.16 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 1p1a s ILE 67 CO 0.82 -0.04 -0.06 -0.62 0.00 0.00 0.00 174.94 175.04 1p1a s ASP 68 N -1.40 0.67 0.24 3.58 -1.08 -1.26 -5.00 116.67 112.42 1p1a s ASP 68 Ca 0.68 -0.14 0.18 0.00 -0.52 0.00 0.00 52.55 52.75 1p1a s ASP 68 Cb -0.30 -0.06 0.91 0.00 -1.46 0.00 0.00 42.92 42.01 1p1a s ASP 68 CO 0.35 0.05 1.55 -1.84 0.52 0.00 0.00 175.17 175.79 1p1a n GLU 69 N 2.83 0.12 -0.10 4.34 0.28 -1.24 -1.37 120.64 125.49 1p1a n GLU 69 Ca -0.14 0.56 0.12 0.00 -0.16 0.00 0.00 57.16 57.54 1p1a n GLU 69 Cb 0.58 -1.84 0.17 0.00 1.43 0.00 0.00 31.44 31.78 1p1a n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1p1a n LYS 70 N -2.09 2.41 -4.60 3.44 4.76 -1.26 -4.75 118.16 116.07 1p1a n LYS 70 Ca -0.00 -2.09 -0.30 0.00 -2.87 0.00 0.00 58.31 53.04 1p1a n LYS 70 Cb 0.07 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 31.69 1p1a n LYS 70 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1p1a s ASN 71 N -1.73 4.12 0.12 4.39 2.47 -0.47 -5.13 114.94 118.71 1p1a s ASN 71 Ca 0.34 -1.49 0.02 0.00 0.42 0.00 0.00 52.86 52.14 1p1a s ASN 71 Cb 0.21 0.17 -0.04 0.00 -1.45 0.00 0.00 41.25 40.14 1p1a s ASN 71 CO 0.31 -0.73 -0.05 0.72 -3.72 0.00 0.00 177.10 173.63 1p1a s PHE 72 N -2.80 1.00 0.11 0.43 -0.12 -1.26 -3.88 117.98 111.45 1p1a s PHE 72 Ca 0.19 -0.93 0.08 0.00 -0.05 0.00 0.00 56.93 56.22 1p1a s PHE 72 Cb 0.04 -0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 41.83 1p1a s PHE 72 CO 0.10 -0.15 -0.20 0.08 -0.05 0.00 0.00 175.22 175.01 1p1a s VAL 73 N -3.61 1.68 -0.16 -2.49 1.01 0.19 -4.75 120.40 112.27 1p1a s VAL 73 Ca 0.15 -1.58 -0.04 0.00 0.00 0.00 0.00 61.98 60.51 1p1a s VAL 73 Cb 0.05 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1p1a s VAL 73 CO -0.02 -0.11 -0.04 -0.69 0.00 0.00 0.00 175.10 174.23 1p1a s VAL 74 N -1.31 3.83 -0.19 2.92 1.01 0.39 -0.61 120.40 126.44 1p1a s VAL 74 Ca 0.07 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 1p1a s VAL 74 Cb -0.09 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1p1a s VAL 74 CO 0.04 0.49 0.13 0.68 0.00 0.00 0.00 175.10 176.45 1p1a s VAL 75 N 0.43 5.42 0.16 2.92 -7.23 -0.41 -1.54 120.40 120.14 1p1a s VAL 75 Ca -0.04 0.19 -0.02 0.00 -1.81 0.00 0.00 61.98 60.31 1p1a s VAL 75 Cb -0.14 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.30 1p1a s VAL 75 CO 0.03 0.46 0.10 0.00 -0.31 0.00 0.00 175.10 175.38 1p1a s MET 76 N 0.22 1.03 0.22 4.82 0.23 -0.34 -3.74 119.30 121.74 1p1a s MET 76 Ca 0.09 -1.48 0.08 0.00 -1.03 0.00 0.00 55.69 53.35 1p1a s MET 76 Cb -0.11 0.26 -0.05 0.00 -1.53 0.00 0.00 34.83 33.40 1p1a s MET 76 CO -0.01 -0.32 -0.14 0.14 -2.03 0.00 0.00 175.02 172.66 1p1a s VAL 77 N -4.08 1.77 -0.44 5.16 -7.23 -1.26 -0.36 120.40 113.96 1p1a s VAL 77 Ca 0.28 -2.22 0.08 0.00 -1.81 0.00 0.00 61.98 58.32 1p1a s VAL 77 Cb 0.07 -2.10 0.26 0.00 0.56 0.00 0.00 36.38 35.17 1p1a s VAL 77 CO 0.05 -0.55 0.59 0.35 -0.31 0.00 0.00 175.10 175.22 1p1a n THR 78 N -0.41 -0.01 -1.21 5.32 -2.24 -0.24 -4.94 114.28 110.54 1p1a n THR 78 Ca -0.08 -4.31 -0.33 0.00 -2.27 0.00 0.00 64.05 57.07 1p1a n THR 78 Cb 0.61 -1.87 0.11 0.00 -2.10 0.00 0.00 70.33 67.08 1p1a n THR 78 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1p1a s LYS 79 N -1.55 1.89 0.00 -0.78 1.02 -1.26 -4.89 119.74 114.17 1p1a s LYS 79 Ca 0.37 1.56 0.22 0.00 0.02 0.00 0.00 55.97 58.14 1p1a s LYS 79 Cb 0.18 -1.82 1.18 0.00 -0.52 0.00 0.00 37.83 36.84 1p1a s LYS 79 CO -0.09 -1.99 1.73 -0.35 -0.92 0.00 0.00 175.35 173.73 1p1a n PRO 80 N -3.28 0.40 -0.61 -1.68 -0.04 -1.26 -4.88 135.00 123.65 1p1a n PRO 80 Ca 0.12 0.06 -0.30 0.00 -0.04 0.00 0.00 63.50 63.34 1p1a n PRO 80 Cb 0.51 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.67 1p1a n PRO 80 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1p1a n LYS 81 N -1.22 -1.31 -3.86 0.54 2.85 -1.26 -5.05 118.16 108.85 1p1a n LYS 81 Ca 0.12 -0.34 -0.30 0.00 -1.05 0.00 0.00 58.31 56.74 1p1a n LYS 81 Cb 0.16 -2.16 -0.15 0.00 -0.65 0.00 0.00 35.03 32.22 1p1a n LYS 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p1a s ALA 82 N -2.48 2.21 0.01 0.58 0.00 -1.26 -5.10 121.76 115.72 1p1a s ALA 82 Ca 0.65 -2.14 -0.00 0.00 0.00 0.00 0.00 51.96 50.47 1p1a s ALA 82 Cb -0.23 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 1p1a s ALA 82 CO 0.63 -1.71 -0.00 0.08 0.00 0.00 0.00 175.76 174.76 1p1a s VAL 83 N 1.19 0.05 -0.05 0.00 1.01 -1.26 -5.17 120.40 116.17 1p1a s VAL 83 Ca 0.11 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1p1a s VAL 83 Cb -0.19 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.06 1p1a s VAL 83 CO -0.16 -0.24 -0.10 -0.44 0.00 0.00 0.00 175.10 174.16 1p1a s SER 84 N -0.71 1.53 0.00 3.32 0.01 -1.26 -5.26 113.70 111.33 1p1a s SER 84 Ca -0.08 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1p1a s SER 84 Cb -0.05 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.51 1p1a s SER 84 CO -0.00 0.02 0.00 1.07 0.41 0.00 0.00 173.24 174.74