#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1a n SER 2 N 0.00 0.00 -4.49 1.61 3.41 -1.26 -5.10 113.62 107.78 1p1a n SER 2 Ca 0.00 -1.00 -0.51 0.00 -0.26 0.00 0.00 58.87 57.10 1p1a n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1p1a n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p1a n HIS 3 N 0.00 0.46 -4.09 7.33 -0.00 -1.26 -4.46 115.22 113.20 1p1a n HIS 3 Ca 0.00 0.89 -0.08 0.00 -0.00 0.00 0.00 57.72 58.54 1p1a n HIS 3 Cb 0.32 -2.11 -0.10 0.00 -0.00 0.00 0.00 29.99 28.10 1p1a n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1p1a s MET 4 N -0.58 0.67 0.09 -1.40 0.00 -0.79 -4.94 119.30 112.35 1p1a s MET 4 Ca 0.74 -1.24 -0.00 0.00 0.00 0.00 0.00 55.69 55.18 1p1a s MET 4 Cb -0.99 0.22 -0.04 0.00 0.00 0.00 0.00 34.83 34.02 1p1a s MET 4 CO 0.55 -0.14 0.24 1.14 0.00 0.00 0.00 175.02 176.82 1p1a s GLN 5 N -3.94 3.46 0.02 3.16 -2.07 -1.26 -2.19 119.66 116.84 1p1a s GLN 5 Ca 0.10 -0.43 0.02 0.00 -1.82 0.00 0.00 55.36 53.22 1p1a s GLN 5 Cb 0.08 -3.00 -0.02 0.00 -1.09 0.00 0.00 33.01 28.98 1p1a s GLN 5 CO -0.08 0.57 -0.06 0.08 -1.32 0.00 0.00 175.29 174.49 1p1a s VAL 6 N -1.58 0.41 -0.24 3.63 1.01 0.59 -4.16 120.40 120.05 1p1a s VAL 6 Ca 0.36 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1p1a s VAL 6 Cb -0.13 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 1p1a s VAL 6 CO 0.28 -0.23 0.16 -0.89 0.00 0.00 0.00 175.10 174.43 1p1a s THR 7 N -0.92 5.36 -0.10 3.92 2.01 -1.25 -1.55 115.64 123.10 1p1a s THR 7 Ca -0.07 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.15 1p1a s THR 7 Cb -0.07 -3.50 -0.00 0.00 0.01 0.00 0.00 72.50 68.93 1p1a s THR 7 CO 0.00 0.34 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.29 1p1a s LEU 8 N 1.11 2.19 0.18 4.42 1.43 0.10 -0.94 118.68 127.18 1p1a s LEU 8 Ca 0.07 -0.51 0.11 0.00 -1.03 0.00 0.00 54.13 52.77 1p1a s LEU 8 Cb -0.14 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1p1a s LEU 8 CO 0.05 0.18 -0.20 -1.59 0.23 0.00 0.00 176.35 175.02 1p1a s LYS 9 N 0.24 1.66 0.45 1.70 -2.85 0.07 -0.69 119.74 120.31 1p1a s LYS 9 Ca -0.15 -1.43 0.08 0.00 -1.00 0.00 0.00 55.97 53.47 1p1a s LYS 9 Cb -0.17 -1.94 0.01 0.00 -2.06 0.00 0.00 37.83 33.67 1p1a s LYS 9 CO 0.07 0.42 0.52 0.95 0.10 0.00 0.00 175.35 177.41 1p1a s THR 10 N -1.62 2.63 -2.00 3.79 -4.23 -0.36 -0.84 115.64 113.02 1p1a s THR 10 Ca 0.21 -1.17 0.09 0.00 -1.18 0.00 0.00 61.69 59.64 1p1a s THR 10 Cb -0.08 -2.80 0.25 0.00 1.34 0.00 0.00 72.50 71.21 1p1a s THR 10 CO 0.11 0.00 0.94 0.18 -0.54 0.00 0.00 174.62 175.31 1p1a n LEU 11 N -1.79 0.00 -0.69 4.79 4.77 -1.22 -3.51 117.00 119.36 1p1a n LEU 11 Ca 0.07 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.11 1p1a n LEU 11 Cb 0.61 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.85 1p1a n LEU 11 CO 0.40 0.00 0.33 0.00 -1.33 0.00 0.00 177.39 176.79 1p1a n GLN 12 N -0.90 1.13 -4.14 3.23 6.02 -1.26 -5.01 117.38 116.44 1p1a n GLN 12 Ca 0.07 -2.79 -0.29 0.00 -0.01 0.00 0.00 57.00 53.97 1p1a n GLN 12 Cb 0.03 -1.21 -0.06 0.00 1.02 0.00 0.00 30.24 30.02 1p1a n GLN 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1p1a n GLN 13 N -0.78 -1.88 -4.11 -1.09 0.00 -1.23 -5.00 117.38 103.28 1p1a n GLN 13 Ca 0.15 0.23 -0.15 0.00 0.00 0.00 0.00 57.00 57.23 1p1a n GLN 13 Cb 0.77 -3.94 -0.11 0.00 0.00 0.00 0.00 30.24 26.96 1p1a n GLN 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1p1a s GLN 14 N -7.02 0.66 0.01 2.61 2.00 -1.26 -4.99 119.66 111.67 1p1a s GLN 14 Ca 0.03 -0.88 0.01 0.00 -2.00 0.00 0.00 55.36 52.52 1p1a s GLN 14 Cb -0.02 -0.48 -0.01 0.00 0.80 0.00 0.00 33.01 33.31 1p1a s GLN 14 CO 0.95 0.09 -0.04 0.99 -0.50 0.00 0.00 175.29 176.78 1p1a s THR 15 N -1.55 0.30 0.22 -0.34 2.01 -1.26 -1.22 115.64 113.79 1p1a s THR 15 Ca -0.05 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.53 1p1a s THR 15 Cb -0.09 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.10 1p1a s THR 15 CO 0.01 -0.05 0.27 0.72 -0.69 0.00 0.00 174.62 174.87 1p1a s PHE 16 N -0.42 0.86 -0.14 4.92 -0.71 0.13 -4.98 117.98 117.64 1p1a s PHE 16 Ca -0.02 -1.13 0.01 0.00 -1.04 0.00 0.00 56.93 54.75 1p1a s PHE 16 Cb -0.04 -0.27 0.02 0.00 -1.21 0.00 0.00 43.02 41.52 1p1a s PHE 16 CO -0.00 -0.78 -0.17 0.15 -1.34 0.00 0.00 175.22 173.08 1p1a s LYS 17 N -4.09 2.55 0.14 1.99 -0.14 -1.26 -0.72 119.74 118.21 1p1a s LYS 17 Ca 0.33 -0.67 0.08 0.00 -1.36 0.00 0.00 55.97 54.35 1p1a s LYS 17 Cb 0.04 -2.21 -0.04 0.00 -1.68 0.00 0.00 37.83 33.94 1p1a s LYS 17 CO 0.11 -0.15 -0.18 0.42 -0.76 0.00 0.00 175.35 174.79 1p1a s ILE 18 N 1.22 1.69 -0.02 2.17 -1.09 -0.60 -4.99 121.20 119.58 1p1a s ILE 18 Ca 0.00 -1.79 0.01 0.00 -2.23 0.00 0.00 60.65 56.64 1p1a s ILE 18 Cb -0.14 -1.71 0.01 0.00 -1.58 0.00 0.00 42.46 39.04 1p1a s ILE 18 CO -0.08 -0.28 -0.01 1.51 -1.23 0.00 0.00 174.94 174.86 1p1a s ASP 19 N -2.45 0.32 0.15 3.58 -4.77 -1.26 -0.30 116.67 111.94 1p1a s ASP 19 Ca 0.12 -0.03 -0.07 0.00 -3.30 0.00 0.00 52.55 49.28 1p1a s ASP 19 Cb -0.07 -0.12 -0.02 0.00 -1.09 0.00 0.00 42.92 41.62 1p1a s ASP 19 CO 0.05 -0.05 0.21 0.27 0.70 0.00 0.00 175.17 176.36 1p1a s ILE 20 N 0.56 0.08 -0.30 2.11 -0.00 -0.93 -4.97 121.20 117.74 1p1a s ILE 20 Ca -0.05 -1.54 -0.29 0.00 -0.00 0.00 0.00 60.65 58.77 1p1a s ILE 20 Cb -0.08 -1.90 -0.02 0.00 -0.00 0.00 0.00 42.46 40.47 1p1a s ILE 20 CO -0.01 -0.35 1.70 -1.81 -0.00 0.00 0.00 174.94 174.47 1p1a s ASP 21 N -2.99 6.10 0.00 4.36 1.01 -1.26 -1.89 116.67 121.99 1p1a s ASP 21 Ca 0.19 1.36 0.13 0.00 0.71 0.00 0.00 52.55 54.93 1p1a s ASP 21 Cb 0.05 -2.53 0.57 0.00 1.01 0.00 0.00 42.92 42.02 1p1a s ASP 21 CO 0.00 -1.53 1.37 -0.81 0.21 0.00 0.00 175.17 174.41 1p1a n PRO 22 N 8.15 0.06 0.13 8.23 -0.04 -1.26 -1.37 135.00 148.90 1p1a n PRO 22 Ca 0.21 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 64.03 1p1a n PRO 22 Cb 0.46 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.91 1p1a n PRO 22 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1p1a n GLU 23 N -1.43 0.19 -2.56 0.54 0.28 -1.26 -1.60 120.64 114.80 1p1a n GLU 23 Ca 0.04 0.43 -0.26 0.00 -0.16 0.00 0.00 57.16 57.21 1p1a n GLU 23 Cb 0.13 -1.87 0.02 0.00 1.43 0.00 0.00 31.44 31.15 1p1a n GLU 23 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1p1a s GLU 24 N -3.32 3.12 0.81 3.44 0.41 -0.47 -4.76 118.70 117.93 1p1a s GLU 24 Ca 0.04 -0.03 -0.12 0.00 -0.41 0.00 0.00 54.97 54.45 1p1a s GLU 24 Cb 0.09 -2.35 0.08 0.00 -1.78 0.00 0.00 34.13 30.17 1p1a s GLU 24 CO 0.38 -0.49 1.11 0.95 -0.49 0.00 0.00 175.26 176.73 1p1a s THR 25 N -2.85 2.81 0.57 3.63 -4.23 -1.26 -0.94 115.64 113.38 1p1a s THR 25 Ca 0.51 0.26 0.29 0.00 -1.18 0.00 0.00 61.69 61.57 1p1a s THR 25 Cb -0.10 -3.07 0.40 0.00 1.34 0.00 0.00 72.50 71.07 1p1a s THR 25 CO 0.44 -0.34 1.92 0.58 -0.54 0.00 0.00 174.62 176.67 1p1a h VAL 26 N -1.11 0.46 -0.87 2.29 2.07 -1.65 -1.24 116.25 116.21 1p1a h VAL 26 Ca -0.47 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.27 1p1a h VAL 26 Cb 1.29 0.63 -0.14 0.00 -1.52 0.00 0.00 31.29 31.54 1p1a h VAL 26 CO 0.61 0.00 0.19 0.11 0.02 0.00 0.00 177.57 178.51 1p1a h LYS 27 N 0.00 0.18 0.00 1.57 1.57 -1.85 -0.17 116.57 117.87 1p1a h LYS 27 Ca 0.26 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1p1a h LYS 27 Cb 1.24 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1p1a h LYS 27 CO -0.00 0.12 -0.18 0.00 -0.57 0.00 0.00 179.45 178.81 1p1a h ALA 28 N 1.78 1.43 0.03 3.86 0.00 -1.58 -0.66 119.26 124.11 1p1a h ALA 28 Ca 0.54 -0.16 -0.39 0.00 0.00 0.00 0.00 54.91 54.89 1p1a h ALA 28 Cb 1.07 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1p1a h ALA 28 CO -0.67 0.22 -2.33 1.47 0.00 0.00 0.00 179.25 177.94 1p1a n LEU 29 N -3.93 2.75 0.17 0.00 -0.00 -0.83 -4.03 117.00 111.12 1p1a n LEU 29 Ca -0.02 0.01 0.01 0.00 -0.00 0.00 0.00 56.01 56.01 1p1a n LEU 29 Cb 0.27 -0.95 0.29 0.00 -0.00 0.00 0.00 43.42 43.02 1p1a n LEU 29 CO 0.33 0.86 0.64 0.07 -0.00 0.00 0.00 177.39 179.29 1p1a h LYS 30 N -0.13 0.00 0.00 1.47 5.09 -0.97 -2.19 116.57 119.84 1p1a h LYS 30 Ca -0.55 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.09 1p1a h LYS 30 Cb 1.88 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.19 1p1a h LYS 30 CO -0.09 0.47 -0.50 0.93 -2.09 0.00 0.00 179.45 178.17 1p1a h GLU 31 N 0.00 0.00 0.12 0.07 5.08 -1.34 -3.31 114.58 115.19 1p1a h GLU 31 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 1p1a h GLU 31 Cb 0.83 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.11 1p1a h GLU 31 CO 0.06 0.50 -1.23 1.57 -1.00 0.00 0.00 179.01 178.91 1p1a h LYS 32 N 0.00 0.57 0.00 2.33 5.09 -1.54 -3.29 116.57 119.73 1p1a h LYS 32 Ca -0.00 -0.77 -0.01 0.00 0.09 0.00 0.00 60.65 59.95 1p1a h LYS 32 Cb 0.97 0.25 -0.00 0.00 0.10 0.00 0.00 32.23 33.56 1p1a h LYS 32 CO 0.06 1.34 -0.06 -0.84 -2.09 0.00 0.00 179.45 177.86 1p1a h ILE 33 N 0.25 0.20 -0.79 0.07 -0.00 -1.60 -1.31 117.51 114.33 1p1a h ILE 33 Ca -0.18 -0.58 0.06 0.00 -0.00 0.00 0.00 64.86 64.17 1p1a h ILE 33 Cb 1.90 1.48 -0.05 0.00 -0.00 0.00 0.00 36.82 40.15 1p1a h ILE 33 CO 0.23 0.06 0.52 -0.08 -0.00 0.00 0.00 178.15 178.88 1p1a h GLU 34 N 0.00 0.84 0.00 0.16 4.81 -1.65 -1.69 114.58 117.05 1p1a h GLU 34 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1p1a h GLU 34 Cb 0.47 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1p1a h GLU 34 CO 0.01 0.56 0.00 0.77 -0.73 0.00 0.00 179.01 179.61 1p1a h SER 35 N 0.87 0.00 0.57 1.04 0.02 -1.38 0.51 113.55 115.17 1p1a h SER 35 Ca 0.34 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.00 1p1a h SER 35 Cb 0.21 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 1p1a h SER 35 CO -0.12 0.00 -1.56 -0.33 -1.14 0.00 0.00 176.83 173.69 1p1a h GLU 36 N 0.00 0.05 0.00 3.45 4.39 -1.28 -3.42 114.58 117.77 1p1a h GLU 36 Ca 0.00 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1p1a h GLU 36 Cb 0.66 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1p1a h GLU 36 CO 0.00 0.73 -0.18 1.63 -1.16 0.00 0.00 179.01 180.04 1p1a n LYS 37 N -3.19 4.05 0.00 2.33 5.02 -0.81 -5.12 118.16 120.43 1p1a n LYS 37 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1p1a n LYS 37 Cb 1.03 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 1p1a n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p1a n GLY 38 N 0.95 0.78 0.38 0.72 0.00 0.17 -4.52 105.19 103.67 1p1a n GLY 38 Ca 0.00 -1.47 0.17 0.00 0.00 0.00 0.00 46.02 44.72 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 0.22 0.00 1.61 3.11 -1.81 -0.13 116.57 119.57 1p1a h LYS 39 Ca 0.00 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1p1a h LYS 39 Cb 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.18 1p1a h LYS 39 CO 0.00 0.15 0.03 0.22 -2.81 0.00 0.00 179.45 177.04 1p1a h ASP 40 N 0.23 0.00 0.00 4.20 3.58 -1.93 -2.98 116.42 119.52 1p1a h ASP 40 Ca 0.30 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.75 1p1a h ASP 40 Cb 0.87 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1p1a h ASP 40 CO -0.06 0.00 -0.49 0.00 -2.88 0.00 0.00 179.24 175.81 1p1a n ALA 41 N -1.90 1.37 -3.15 -0.78 0.00 -0.61 -4.93 120.51 110.51 1p1a n ALA 41 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 1p1a n ALA 41 Cb 0.08 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.11 0.78 -1.99 0.00 3.01 -0.16 -4.97 117.46 113.02 1p1a n PHE 42 Ca 0.00 -3.84 -0.41 0.00 1.01 0.00 0.00 57.45 54.21 1p1a n PHE 42 Cb 0.19 -0.43 -0.02 0.00 -0.01 0.00 0.00 39.48 39.21 1p1a n PHE 42 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1p1a s PRO 43 N -2.55 4.25 0.47 -1.08 0.04 -1.13 -4.45 135.00 130.57 1p1a s PRO 43 Ca 0.41 2.33 0.21 0.00 0.04 0.00 0.00 61.00 64.00 1p1a s PRO 43 Cb 0.33 -3.09 1.22 0.00 0.04 0.00 0.00 34.50 33.00 1p1a s PRO 43 CO -0.09 -0.43 1.93 0.28 0.04 0.00 0.00 177.00 178.73 1p1a h VAL 44 N 3.46 0.72 0.00 -0.36 2.07 -1.89 0.39 116.25 120.64 1p1a h VAL 44 Ca -0.46 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1p1a h VAL 44 Cb 1.22 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1p1a h VAL 44 CO 0.76 0.04 0.00 0.00 0.02 0.00 0.00 177.57 178.39 1p1a n ALA 45 N -2.59 1.68 -0.14 1.67 0.00 -1.26 -4.18 120.51 115.70 1p1a n ALA 45 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1p1a n ALA 45 Cb 0.65 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.03 0.79 3.81 0.00 0.00 -0.23 -5.05 105.19 104.49 1p1a n GLY 46 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 3.96 0.05 1.61 -2.07 -0.04 -1.55 119.66 121.62 1p1a s GLN 47 Ca 0.00 1.21 -0.01 0.00 -1.82 0.00 0.00 55.36 54.74 1p1a s GLN 47 Cb 0.00 -2.13 -0.04 0.00 -1.09 0.00 0.00 33.01 29.75 1p1a s GLN 47 CO 0.00 -0.27 -0.02 0.15 -1.32 0.00 0.00 175.29 173.83 1p1a s LYS 48 N -3.34 0.63 0.02 9.60 1.02 0.38 -4.97 119.74 123.08 1p1a s LYS 48 Ca 0.64 -1.23 0.01 0.00 0.02 0.00 0.00 55.97 55.41 1p1a s LYS 48 Cb -0.13 0.21 -0.02 0.00 -0.52 0.00 0.00 37.83 37.38 1p1a s LYS 48 CO 0.19 -0.12 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.94 1p1a s LEU 49 N -2.93 2.20 0.02 3.17 1.02 -1.26 -0.70 118.68 120.20 1p1a s LEU 49 Ca 0.08 -0.43 0.03 0.00 0.02 0.00 0.00 54.13 53.83 1p1a s LEU 49 Cb 0.08 -0.04 -0.01 0.00 0.02 0.00 0.00 46.19 46.23 1p1a s LEU 49 CO -0.09 -0.20 -0.09 -0.63 0.02 0.00 0.00 176.35 175.36 1p1a s ILE 50 N -1.14 0.67 -0.38 -0.59 -1.09 -0.25 -2.14 121.20 116.28 1p1a s ILE 50 Ca -0.10 -0.69 0.01 0.00 -2.23 0.00 0.00 60.65 57.64 1p1a s ILE 50 Cb -0.08 -0.63 0.12 0.00 -1.58 0.00 0.00 42.46 40.29 1p1a s ILE 50 CO -0.00 -0.04 0.16 -0.47 -1.23 0.00 0.00 174.94 173.36 1p1a s TYR 51 N -0.68 2.15 -1.13 3.97 5.04 -0.38 -0.65 117.35 125.67 1p1a s TYR 51 Ca -0.01 -2.26 0.00 0.00 -2.44 0.00 0.00 57.07 52.35 1p1a s TYR 51 Cb -0.06 -1.99 0.00 0.00 0.35 0.00 0.00 41.96 40.26 1p1a s TYR 51 CO 0.00 -0.84 0.00 0.00 -1.34 0.00 0.00 175.55 173.37 1p1a n ALA 52 N 4.12 -0.37 0.00 3.97 0.00 -1.26 -1.48 120.51 125.49 1p1a n ALA 52 Ca 0.04 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1p1a n ALA 52 Cb 0.38 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.39 0.80 3.85 0.00 0.00 -1.26 -5.13 105.19 103.05 1p1a n GLY 53 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1p1a n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p1a s LYS 54 N 0.00 3.59 -0.41 1.61 1.02 -0.55 -5.08 119.74 119.92 1p1a s LYS 54 Ca 0.00 -0.15 -0.16 0.00 0.02 0.00 0.00 55.97 55.68 1p1a s LYS 54 Cb 0.00 -3.23 0.02 0.00 -0.52 0.00 0.00 37.83 34.10 1p1a s LYS 54 CO 0.00 0.68 0.34 0.42 -0.92 0.00 0.00 175.35 175.87 1p1a s ILE 55 N -0.74 5.21 0.47 2.17 1.09 -1.26 -1.25 121.20 126.89 1p1a s ILE 55 Ca 0.13 -0.54 -0.21 0.00 -1.10 0.00 0.00 60.65 58.93 1p1a s ILE 55 Cb -0.12 -3.96 -0.09 0.00 -1.06 0.00 0.00 42.46 37.24 1p1a s ILE 55 CO 0.03 -0.33 1.04 -0.76 -0.10 0.00 0.00 174.94 174.81 1p1a s LEU 56 N 1.83 3.89 -0.05 2.97 1.43 -0.91 -5.03 118.68 122.81 1p1a s LEU 56 Ca 0.07 1.94 0.02 0.00 -1.03 0.00 0.00 54.13 55.13 1p1a s LEU 56 Cb -0.18 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.54 1p1a s LEU 56 CO 0.11 -0.72 -0.11 0.21 0.23 0.00 0.00 176.35 176.07 1p1a s ASN 57 N -1.93 1.55 0.00 2.29 2.47 -1.26 -4.71 114.94 113.35 1p1a s ASN 57 Ca 0.66 -0.25 0.06 0.00 0.42 0.00 0.00 52.86 53.74 1p1a s ASN 57 Cb -0.17 -0.63 0.28 0.00 -1.45 0.00 0.00 41.25 39.28 1p1a s ASN 57 CO 0.21 0.04 1.08 0.47 -3.72 0.00 0.00 177.10 175.17 1p1a n ASP 58 N 3.67 0.00 -0.02 -4.21 8.00 -1.26 -2.30 116.55 120.43 1p1a n ASP 58 Ca -0.22 0.29 0.02 0.00 0.71 0.00 0.00 54.79 55.59 1p1a n ASP 58 Cb 0.52 -0.35 0.03 0.00 -0.02 0.00 0.00 41.12 41.30 1p1a n ASP 58 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1p1a n ASP 59 N -1.35 2.09 -3.97 -2.24 2.03 -1.26 -4.43 116.55 107.41 1p1a n ASP 59 Ca 0.02 -2.22 -0.21 0.00 0.52 0.00 0.00 54.79 52.90 1p1a n ASP 59 Cb 0.05 -0.09 -0.16 0.00 -0.72 0.00 0.00 41.12 40.20 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 -1.39 0.77 0.44 5.18 2.01 -0.97 -5.04 115.64 116.64 1p1a s THR 60 Ca 0.07 -0.31 -0.24 0.00 0.31 0.00 0.00 61.69 61.52 1p1a s THR 60 Cb 0.06 -0.72 -0.08 0.00 0.01 0.00 0.00 72.50 71.78 1p1a s THR 60 CO 0.01 0.26 1.18 0.00 -0.69 0.00 0.00 174.62 175.37 1p1a s ALA 61 N 0.47 3.05 0.28 7.40 0.00 -1.26 -3.36 121.76 128.33 1p1a s ALA 61 Ca -0.08 0.97 0.01 0.00 0.00 0.00 0.00 51.96 52.87 1p1a s ALA 61 Cb -0.11 -3.39 0.64 0.00 0.00 0.00 0.00 23.12 20.26 1p1a s ALA 61 CO 0.01 -0.64 1.70 -0.07 0.00 0.00 0.00 175.76 176.76 1p1a h LEU 62 N 2.27 0.28 -1.32 0.00 -0.00 -0.89 -1.46 115.31 114.19 1p1a h LEU 62 Ca -0.49 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 1p1a h LEU 62 Cb 1.24 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 1p1a h LEU 62 CO 0.61 0.02 0.00 0.07 -0.00 0.00 0.00 178.44 179.14 1p1a h LYS 63 N 0.40 0.00 0.00 1.13 -0.00 -1.58 -2.91 116.57 113.60 1p1a h LYS 63 Ca 0.51 0.00 -0.08 0.00 -0.00 0.00 0.00 60.65 61.09 1p1a h LYS 63 Cb 0.93 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.15 1p1a h LYS 63 CO -0.50 0.00 -0.36 0.93 -0.00 0.00 0.00 179.45 179.52 1p1a h GLU 64 N 0.00 0.00 0.00 0.07 4.39 -1.57 -2.65 114.58 114.82 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 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1p1a h GLU 64 CO 0.00 0.36 -0.02 0.66 -1.16 0.00 0.00 179.01 178.84 1p1a n TYR 65 N -3.86 0.19 -3.85 4.33 4.01 -1.10 -4.95 117.16 111.94 1p1a n TYR 65 Ca -0.01 0.06 -0.25 0.00 -0.16 0.00 0.00 57.90 57.54 1p1a n TYR 65 Cb 0.43 -0.58 0.01 0.00 -0.31 0.00 0.00 39.34 38.89 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 -1.66 -4.33 -1.70 -0.72 5.02 -1.00 -4.99 118.16 108.78 1p1a n LYS 66 Ca 0.07 0.53 -0.38 0.00 -2.02 0.00 0.00 58.31 56.50 1p1a n LYS 66 Cb 0.36 -4.98 0.05 0.00 -0.02 0.00 0.00 35.03 30.44 1p1a n LYS 66 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1p1a n ILE 67 N -4.38 4.00 -4.54 -0.18 2.08 -1.26 -5.05 119.36 110.03 1p1a n ILE 67 Ca -0.24 -0.50 -0.21 0.00 0.56 0.00 0.00 62.75 62.36 1p1a n ILE 67 Cb 0.65 -1.47 -0.15 0.00 -0.75 0.00 0.00 39.64 37.92 1p1a n ILE 67 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1p1a s ASP 68 N -1.09 1.45 0.00 4.38 -1.08 -1.26 -5.02 116.67 114.05 1p1a s ASP 68 Ca 0.75 -0.23 0.15 0.00 -0.52 0.00 0.00 52.55 52.69 1p1a s ASP 68 Cb -0.42 -0.16 0.72 0.00 -1.46 0.00 0.00 42.92 41.60 1p1a s ASP 68 CO 0.47 0.15 1.44 -1.84 0.52 0.00 0.00 175.17 175.90 1p1a n GLU 69 N 2.74 0.15 -0.12 4.34 0.28 -1.26 -2.10 120.64 124.67 1p1a n GLU 69 Ca -0.14 0.18 0.02 0.00 -0.16 0.00 0.00 57.16 57.06 1p1a n GLU 69 Cb 0.56 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.96 1p1a n GLU 69 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1p1a n LYS 70 N -1.35 1.25 -3.03 3.44 0.00 -1.26 -4.72 118.16 112.48 1p1a n LYS 70 Ca 0.06 -1.42 -0.20 0.00 -0.00 0.00 0.00 58.31 56.75 1p1a n LYS 70 Cb 0.14 -0.90 0.06 0.00 -0.00 0.00 0.00 35.03 34.33 1p1a n LYS 70 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1p1a s ASN 71 N -1.22 5.08 0.13 -5.58 2.47 -0.89 -5.10 114.94 109.83 1p1a s ASN 71 Ca 0.08 -0.84 0.03 0.00 0.42 0.00 0.00 52.86 52.55 1p1a s ASN 71 Cb 0.07 0.31 -0.04 0.00 -1.45 0.00 0.00 41.25 40.13 1p1a s ASN 71 CO 0.01 -1.36 -0.08 0.72 -3.72 0.00 0.00 177.10 172.67 1p1a s PHE 72 N -2.68 1.11 0.12 0.43 -0.12 -1.26 -3.97 117.98 111.61 1p1a s PHE 72 Ca 0.62 -0.84 0.10 0.00 -0.05 0.00 0.00 56.93 56.76 1p1a s PHE 72 Cb -0.06 -0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 41.70 1p1a s PHE 72 CO 0.39 -0.03 -0.24 0.08 -0.05 0.00 0.00 175.22 175.37 1p1a s VAL 73 N -3.47 2.03 -0.15 -2.49 1.01 -0.12 -4.56 120.40 112.66 1p1a s VAL 73 Ca 0.15 -1.69 -0.02 0.00 0.00 0.00 0.00 61.98 60.42 1p1a s VAL 73 Cb 0.04 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1p1a s VAL 73 CO -0.01 0.01 -0.08 -0.69 0.00 0.00 0.00 175.10 174.32 1p1a s VAL 74 N -1.16 3.44 -0.12 2.92 1.01 0.17 -0.75 120.40 125.91 1p1a s VAL 74 Ca 0.11 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1p1a s VAL 74 Cb -0.10 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1p1a s VAL 74 CO 0.06 0.51 0.14 0.68 0.00 0.00 0.00 175.10 176.48 1p1a s VAL 75 N 0.40 5.51 0.07 2.92 -7.23 -0.02 -1.09 120.40 120.97 1p1a s VAL 75 Ca -0.07 0.21 -0.00 0.00 -1.81 0.00 0.00 61.98 60.31 1p1a s VAL 75 Cb -0.15 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 1p1a s VAL 75 CO 0.04 0.61 -0.04 -0.04 -0.31 0.00 0.00 175.10 175.37 1p1a s MET 76 N -0.99 0.71 -0.01 4.82 -1.94 0.12 -3.43 119.30 118.58 1p1a s MET 76 Ca 0.15 -1.27 -0.01 0.00 -1.71 0.00 0.00 55.69 52.84 1p1a s MET 76 Cb -0.12 0.06 -0.00 0.00 2.01 0.00 0.00 34.83 36.78 1p1a s MET 76 CO 0.04 -0.09 0.03 0.54 -0.01 0.00 0.00 175.02 175.53 1p1a s VAL 77 N -3.82 0.02 0.02 -6.03 0.11 -1.26 -0.47 120.40 108.97 1p1a s VAL 77 Ca 0.10 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1p1a s VAL 77 Cb 0.07 -0.09 -0.02 0.00 -1.53 0.00 0.00 36.38 34.81 1p1a s VAL 77 CO -0.07 -0.08 -0.00 0.28 -3.33 0.00 0.00 175.10 171.90 1p1a s THR 78 N -0.23 0.11 -0.03 5.04 -1.32 -0.60 -5.00 115.64 113.62 1p1a s THR 78 Ca -0.03 -0.94 -0.03 0.00 -1.21 0.00 0.00 61.69 59.48 1p1a s THR 78 Cb -0.02 -0.39 0.01 0.00 -1.51 0.00 0.00 72.50 70.59 1p1a s THR 78 CO -0.00 -0.52 0.08 -0.75 -2.21 0.00 0.00 174.62 171.22 1p1a s LYS 79 N -1.66 0.09 0.42 7.08 2.20 -1.26 -4.52 119.74 122.09 1p1a s LYS 79 Ca -0.14 0.14 -0.25 0.00 -0.36 0.00 0.00 55.97 55.36 1p1a s LYS 79 Cb -0.08 0.01 -0.10 0.00 -1.51 0.00 0.00 37.83 36.15 1p1a s LYS 79 CO -0.01 -0.03 1.11 -2.30 -0.36 0.00 0.00 175.35 173.75 1p1a n PRO 80 N 3.21 1.55 0.00 4.03 -0.02 -1.26 -4.96 135.00 137.54 1p1a n PRO 80 Ca -0.14 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1p1a n PRO 80 Cb 0.58 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1p1a n PRO 80 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1p1a n LYS 81 N 0.08 0.38 -1.73 -0.52 5.02 -1.26 -5.09 118.16 115.05 1p1a n LYS 81 Ca 0.09 -0.53 -0.42 0.00 -2.02 0.00 0.00 58.31 55.42 1p1a n LYS 81 Cb 0.39 -0.60 -0.03 0.00 -0.02 0.00 0.00 35.03 34.77 1p1a n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p1a s ALA 82 N -0.15 3.25 0.00 7.82 0.00 -1.26 -4.80 121.76 126.62 1p1a s ALA 82 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1p1a s ALA 82 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.20 1p1a s ALA 82 CO 0.00 -2.04 0.00 1.55 0.00 0.00 0.00 175.76 175.27 1p1a n VAL 83 N 6.42 0.00 -1.79 0.00 3.14 -1.26 -5.12 118.33 119.72 1p1a n VAL 83 Ca 0.23 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.23 1p1a n VAL 83 Cb 0.43 0.87 0.05 0.00 -1.06 0.00 0.00 33.84 34.13 1p1a n VAL 83 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1p1a s SER 84 N 0.00 5.06 0.00 6.55 0.01 -1.26 -5.38 113.70 118.67 1p1a s SER 84 Ca 0.00 2.69 0.05 0.00 1.31 0.00 0.00 55.95 60.01 1p1a s SER 84 Cb 0.00 -2.63 0.32 0.00 0.21 0.00 0.00 66.02 63.92 1p1a s SER 84 CO 0.00 -1.71 0.79 0.35 0.41 0.00 0.00 173.24 173.08