#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 -1.47 1.61 7.64 -1.26 -5.00 113.62 115.14 1p1a n SER 2 Ca 0.00 0.14 0.18 0.00 1.01 0.00 0.00 58.87 60.20 1p1a n SER 2 Cb 0.00 -0.31 -0.09 0.00 -1.01 0.00 0.00 64.21 62.80 1p1a n SER 2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1p1a n HIS 3 N -1.31 -3.91 -3.98 1.43 -0.00 -1.26 -5.07 115.22 101.12 1p1a n HIS 3 Ca 0.06 2.13 -0.09 0.00 -0.00 0.00 0.00 57.72 59.82 1p1a n HIS 3 Cb 0.12 -3.56 -0.11 0.00 -0.00 0.00 0.00 29.99 26.45 1p1a n HIS 3 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1p1a s MET 4 N -4.01 0.36 0.11 -0.41 -2.45 0.04 -4.83 119.30 108.11 1p1a s MET 4 Ca 0.00 -0.66 0.10 0.00 -1.25 0.00 0.00 55.69 53.88 1p1a s MET 4 Cb 0.00 0.13 -0.04 0.00 1.25 0.00 0.00 34.83 36.17 1p1a s MET 4 CO 0.00 -0.06 -0.25 1.14 1.05 0.00 0.00 175.02 176.90 1p1a s GLN 5 N -1.74 1.57 0.03 4.11 -2.07 -1.26 -1.39 119.66 118.91 1p1a s GLN 5 Ca -0.13 -1.26 0.01 0.00 -1.82 0.00 0.00 55.36 52.15 1p1a s GLN 5 Cb -0.08 -1.97 -0.02 0.00 -1.09 0.00 0.00 33.01 29.85 1p1a s GLN 5 CO -0.02 0.47 -0.04 0.08 -1.32 0.00 0.00 175.29 174.46 1p1a s VAL 6 N -1.03 0.22 -0.22 3.63 1.01 -0.19 -3.98 120.40 119.85 1p1a s VAL 6 Ca 0.14 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1p1a s VAL 6 Cb -0.10 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1p1a s VAL 6 CO 0.06 -0.48 0.14 -0.89 0.00 0.00 0.00 175.10 173.93 1p1a s THR 7 N -1.48 5.29 -0.16 3.92 2.01 -1.26 -2.23 115.64 121.73 1p1a s THR 7 Ca -0.14 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1p1a s THR 7 Cb -0.10 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 68.98 1p1a s THR 7 CO -0.01 0.38 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.34 1p1a s LEU 8 N 0.83 2.11 -0.12 4.42 1.43 0.14 -0.97 118.68 126.52 1p1a s LEU 8 Ca 0.07 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.47 1p1a s LEU 8 Cb -0.13 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1p1a s LEU 8 CO 0.02 0.03 0.15 -0.54 0.23 0.00 0.00 176.35 176.24 1p1a s LYS 9 N 1.10 3.53 0.18 1.70 1.02 0.20 -1.36 119.74 126.12 1p1a s LYS 9 Ca 0.00 -0.11 0.03 0.00 0.02 0.00 0.00 55.97 55.91 1p1a s LYS 9 Cb -0.14 -3.21 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1p1a s LYS 9 CO -0.09 0.73 0.31 0.95 -0.92 0.00 0.00 175.35 176.34 1p1a s THR 10 N -0.91 5.30 0.67 2.17 -4.23 -0.14 -0.78 115.64 117.72 1p1a s THR 10 Ca 0.15 -0.78 0.42 0.00 -1.18 0.00 0.00 61.69 60.30 1p1a s THR 10 Cb -0.12 -3.78 0.43 0.00 1.34 0.00 0.00 72.50 70.36 1p1a s THR 10 CO 0.04 -0.18 2.31 0.17 -0.54 0.00 0.00 174.62 176.42 1p1a h LEU 11 N 1.79 0.00 -0.25 4.79 -0.00 -1.82 -2.05 115.31 117.79 1p1a h LEU 11 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 1p1a h LEU 11 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 1p1a h LEU 11 CO 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 179.10 1p1a n GLN 12 N -3.10 1.16 -3.19 0.17 6.02 -1.26 -4.93 117.38 112.24 1p1a n GLN 12 Ca -0.03 -0.24 -0.14 0.00 -0.01 0.00 0.00 57.00 56.58 1p1a n GLN 12 Cb 0.11 -1.13 0.07 0.00 1.02 0.00 0.00 30.24 30.31 1p1a n GLN 12 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1p1a n GLN 13 N -0.38 -4.47 -4.08 -1.09 3.00 -0.77 -5.06 117.38 104.53 1p1a n GLN 13 Ca 0.06 0.76 -0.14 0.00 -0.01 0.00 0.00 57.00 57.67 1p1a n GLN 13 Cb 0.08 -5.45 -0.11 0.00 0.00 0.00 0.00 30.24 24.75 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 -4.85 0.59 0.01 -1.09 0.74 -1.26 -4.99 119.66 108.81 1p1a s GLN 14 Ca 0.15 -0.81 0.03 0.00 0.05 0.00 0.00 55.36 54.78 1p1a s GLN 14 Cb -0.02 -0.38 -0.01 0.00 1.10 0.00 0.00 33.01 33.70 1p1a s GLN 14 CO 0.65 0.07 -0.09 0.99 -0.55 0.00 0.00 175.29 176.36 1p1a s THR 15 N -1.44 0.69 0.25 -0.34 2.01 -1.26 -0.96 115.64 114.59 1p1a s THR 15 Ca -0.08 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.33 1p1a s THR 15 Cb -0.10 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.78 1p1a s THR 15 CO 0.01 0.07 0.30 0.72 -0.69 0.00 0.00 174.62 175.03 1p1a s PHE 16 N -0.46 0.94 -0.08 4.92 -0.71 -0.46 -4.98 117.98 117.15 1p1a s PHE 16 Ca 0.01 -1.18 0.01 0.00 -1.04 0.00 0.00 56.93 54.73 1p1a s PHE 16 Cb -0.05 -0.26 0.02 0.00 -1.21 0.00 0.00 43.02 41.52 1p1a s PHE 16 CO 0.00 -0.84 -0.11 0.15 -1.34 0.00 0.00 175.22 173.08 1p1a s LYS 17 N -3.90 1.65 0.19 1.99 -0.14 -1.26 -0.69 119.74 117.59 1p1a s LYS 17 Ca 0.33 -0.37 -0.01 0.00 -1.36 0.00 0.00 55.97 54.55 1p1a s LYS 17 Cb 0.03 -1.46 -0.04 0.00 -1.68 0.00 0.00 37.83 34.68 1p1a s LYS 17 CO 0.14 -0.06 0.13 0.96 -0.76 0.00 0.00 175.35 175.75 1p1a s ILE 18 N 0.97 0.02 -0.00 2.17 -5.25 -0.95 -5.01 121.20 113.15 1p1a s ILE 18 Ca -0.09 -1.97 -0.00 0.00 -0.99 0.00 0.00 60.65 57.60 1p1a s ILE 18 Cb -0.15 -2.42 0.00 0.00 2.95 0.00 0.00 42.46 42.85 1p1a s ILE 18 CO 0.00 -0.08 0.01 1.51 -1.79 0.00 0.00 174.94 174.60 1p1a s ASP 19 N -3.14 -0.01 0.23 4.36 -4.77 -1.26 -1.02 116.67 111.06 1p1a s ASP 19 Ca 0.36 0.02 -0.06 0.00 -3.30 0.00 0.00 52.55 49.57 1p1a s ASP 19 Cb 0.07 0.02 -0.02 0.00 -1.09 0.00 0.00 42.92 41.90 1p1a s ASP 19 CO 0.10 -0.01 0.30 0.27 0.70 0.00 0.00 175.17 176.54 1p1a s ILE 20 N 0.02 0.00 0.06 2.11 -0.00 -0.48 -4.97 121.20 117.93 1p1a s ILE 20 Ca -0.00 -1.72 -0.31 0.00 -0.00 0.00 0.00 60.65 58.62 1p1a s ILE 20 Cb -0.00 -2.37 -0.06 0.00 -0.00 0.00 0.00 42.46 40.03 1p1a s ILE 20 CO -0.00 0.00 1.27 -0.62 -0.00 0.00 0.00 174.94 175.59 1p1a s ASP 21 N -3.10 6.98 0.12 4.36 -1.08 -1.26 -0.78 116.67 121.91 1p1a s ASP 21 Ca 0.31 2.09 0.18 0.00 -0.52 0.00 0.00 52.55 54.60 1p1a s ASP 21 Cb 0.03 -2.58 0.75 0.00 -1.46 0.00 0.00 42.92 39.67 1p1a s ASP 21 CO 0.11 -0.56 1.54 -0.81 0.52 0.00 0.00 175.17 175.98 1p1a n PRO 22 N 4.22 0.09 -0.11 4.34 -0.04 -1.26 -2.05 135.00 140.18 1p1a n PRO 22 Ca 0.10 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 1p1a n PRO 22 Cb 0.45 -1.67 0.16 0.00 -0.04 0.00 0.00 33.50 32.40 1p1a n PRO 22 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1p1a n GLU 23 N -1.84 2.35 -1.49 0.54 1.02 -1.26 -0.96 120.64 119.00 1p1a n GLU 23 Ca 0.02 -2.10 -0.31 0.00 -0.02 0.00 0.00 57.16 54.76 1p1a n GLU 23 Cb 0.17 -1.47 0.07 0.00 -0.02 0.00 0.00 31.44 30.19 1p1a n GLU 23 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1p1a s GLU 24 N -1.63 2.60 0.78 3.49 0.41 -0.87 -4.75 118.70 118.73 1p1a s GLU 24 Ca 0.33 0.95 -0.11 0.00 -0.41 0.00 0.00 54.97 55.73 1p1a s GLU 24 Cb 0.21 -1.95 0.07 0.00 -1.78 0.00 0.00 34.13 30.68 1p1a s GLU 24 CO 0.30 -1.34 1.14 0.95 -0.49 0.00 0.00 175.26 175.82 1p1a s THR 25 N -3.03 2.12 0.55 3.63 -4.23 -1.26 -1.14 115.64 112.28 1p1a s THR 25 Ca 0.59 -0.04 0.25 0.00 -1.18 0.00 0.00 61.69 61.31 1p1a s THR 25 Cb -0.15 -3.02 0.36 0.00 1.34 0.00 0.00 72.50 71.04 1p1a s THR 25 CO 0.55 -0.03 2.05 0.58 -0.54 0.00 0.00 174.62 177.23 1p1a h VAL 26 N -0.95 0.69 -0.82 2.29 2.07 -1.60 -2.09 116.25 115.84 1p1a h VAL 26 Ca -0.46 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.24 1p1a h VAL 26 Cb 1.32 0.80 -0.11 0.00 -1.52 0.00 0.00 31.29 31.78 1p1a h VAL 26 CO 0.65 0.00 0.31 0.50 0.02 0.00 0.00 177.57 179.04 1p1a h LYS 27 N 0.00 0.37 0.18 1.57 3.64 -1.80 0.93 116.57 121.46 1p1a h LYS 27 Ca 0.16 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1p1a h LYS 27 Cb 0.71 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1p1a h LYS 27 CO -0.00 0.25 -0.09 0.00 -2.27 0.00 0.00 179.45 177.34 1p1a h ALA 28 N 1.64 -0.24 -0.49 5.00 0.00 -1.70 0.58 119.26 124.05 1p1a h ALA 28 Ca 0.48 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1p1a h ALA 28 Cb 0.83 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1p1a h ALA 28 CO -0.49 -0.55 0.32 1.25 0.00 0.00 0.00 179.25 179.78 1p1a h LEU 29 N -0.40 0.54 0.21 0.00 7.12 -1.56 -2.00 115.31 119.22 1p1a h LEU 29 Ca -0.02 -0.01 -0.32 0.00 0.13 0.00 0.00 57.88 57.65 1p1a h LEU 29 Cb 0.31 -0.13 0.02 0.00 -0.53 0.00 0.00 40.66 40.33 1p1a h LEU 29 CO 0.04 0.39 -1.45 0.50 -0.13 0.00 0.00 178.44 177.78 1p1a h LYS 30 N 0.64 0.44 -0.35 1.25 3.11 -0.72 -3.36 116.57 117.58 1p1a h LYS 30 Ca 0.18 -0.74 -0.15 0.00 -2.81 0.00 0.00 60.65 57.13 1p1a h LYS 30 Cb -0.04 0.28 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 1p1a h LYS 30 CO -0.04 1.35 -0.37 0.93 -2.81 0.00 0.00 179.45 178.50 1p1a h GLU 31 N 0.12 0.83 0.00 1.90 5.08 -0.78 -3.31 114.58 118.42 1p1a h GLU 31 Ca -0.23 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 57.68 1p1a h GLU 31 Cb 2.10 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.36 1p1a h GLU 31 CO 0.24 1.06 -0.12 1.57 -1.00 0.00 0.00 179.01 180.76 1p1a h LYS 32 N 0.69 0.00 0.00 2.33 5.09 -1.50 -2.46 116.57 120.71 1p1a h LYS 32 Ca 0.06 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.65 1p1a h LYS 32 Cb 0.94 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.25 1p1a h LYS 32 CO 0.09 0.12 -0.73 -0.84 -2.09 0.00 0.00 179.45 176.00 1p1a h ILE 33 N 0.00 1.20 -0.63 0.07 -0.00 -1.71 -3.14 117.51 113.30 1p1a h ILE 33 Ca -0.00 -2.71 -0.01 0.00 -0.00 0.00 0.00 64.86 62.14 1p1a h ILE 33 Cb 0.23 2.59 -0.03 0.00 -0.00 0.00 0.00 36.82 39.61 1p1a h ILE 33 CO 0.02 0.69 0.34 -0.08 -0.00 0.00 0.00 178.15 179.11 1p1a h GLU 34 N 0.00 0.87 0.00 0.16 4.81 -1.55 -0.67 114.58 118.20 1p1a h GLU 34 Ca -0.01 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1p1a h GLU 34 Cb 1.55 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 1p1a h GLU 34 CO 0.09 0.65 -0.02 0.77 -0.73 0.00 0.00 179.01 179.77 1p1a h SER 35 N 0.88 0.00 0.00 1.04 0.02 -1.49 -0.15 113.55 113.85 1p1a h SER 35 Ca 0.22 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.81 1p1a h SER 35 Cb 0.04 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.51 1p1a h SER 35 CO -0.04 0.02 -2.37 -0.62 -1.14 0.00 0.00 176.83 172.68 1p1a n GLU 36 N -3.17 0.75 0.00 3.45 1.02 -0.79 -4.76 120.64 117.14 1p1a n GLU 36 Ca -0.02 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1p1a n GLU 36 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1p1a n GLU 36 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1p1a n LYS 37 N -2.87 5.95 0.00 3.49 5.02 -0.32 -5.12 118.16 124.30 1p1a n LYS 37 Ca -0.35 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 1p1a n LYS 37 Cb 1.09 -0.48 0.00 0.00 -0.02 0.00 0.00 35.03 35.62 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 0.86 -1.54 0.25 0.72 0.00 -0.07 -4.51 105.19 100.89 1p1a n GLY 38 Ca 0.00 -1.37 0.17 0.00 0.00 0.00 0.00 46.02 44.82 1p1a n GLY 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1p1a h LYS 39 N 0.00 0.00 0.00 1.61 5.09 -1.78 -0.98 116.57 120.51 1p1a h LYS 39 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1p1a h LYS 39 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1p1a h LYS 39 CO 0.00 0.00 0.00 0.22 -2.09 0.00 0.00 179.45 177.58 1p1a h ASP 40 N 0.00 0.00 0.00 7.07 3.58 -1.96 -3.07 116.42 122.04 1p1a h ASP 40 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1p1a h ASP 40 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1p1a h ASP 40 CO 0.00 0.00 -0.58 0.00 -2.88 0.00 0.00 179.24 175.78 1p1a n ALA 41 N -2.07 1.28 -3.19 -0.78 0.00 -0.93 -4.93 120.51 109.89 1p1a n ALA 41 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.23 1p1a n ALA 41 Cb 0.15 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.02 0.15 -1.97 0.00 3.72 -0.42 -4.98 117.46 112.95 1p1a n PHE 42 Ca 0.00 -3.77 -0.42 0.00 -0.05 0.00 0.00 57.45 53.21 1p1a n PHE 42 Cb 0.09 -0.41 -0.03 0.00 -0.94 0.00 0.00 39.48 38.19 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 -2.16 4.22 0.29 -1.08 0.04 -1.16 -4.45 135.00 130.70 1p1a s PRO 43 Ca 0.39 2.28 0.01 0.00 0.04 0.00 0.00 61.00 63.72 1p1a s PRO 43 Cb 0.31 -3.52 0.54 0.00 0.04 0.00 0.00 34.50 31.87 1p1a s PRO 43 CO -0.09 -0.68 1.88 0.28 0.04 0.00 0.00 177.00 178.43 1p1a h VAL 44 N 4.68 1.01 0.00 -0.36 2.07 -1.91 -0.39 116.25 121.36 1p1a h VAL 44 Ca -0.42 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1p1a h VAL 44 Cb 1.20 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1p1a h VAL 44 CO 0.92 0.19 0.00 0.00 0.02 0.00 0.00 177.57 178.70 1p1a n ALA 45 N -2.38 2.13 -1.98 1.67 0.00 -1.26 -3.82 120.51 114.87 1p1a n ALA 45 Ca 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1p1a n ALA 45 Cb 0.26 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.37 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 0.56 0.88 3.32 0.00 0.00 -0.25 -5.08 105.19 104.62 1p1a n GLY 46 Ca 0.10 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.22 1.21 0.05 1.61 -2.07 -0.65 -1.49 119.66 118.10 1p1a s GLN 47 Ca 0.06 -1.25 -0.01 0.00 -1.82 0.00 0.00 55.36 52.34 1p1a s GLN 47 Cb 0.06 -1.48 -0.04 0.00 -1.09 0.00 0.00 33.01 30.46 1p1a s GLN 47 CO -0.01 0.34 -0.03 0.21 -1.32 0.00 0.00 175.29 174.48 1p1a s LYS 48 N -2.11 0.57 0.04 9.60 2.20 0.21 -4.99 119.74 125.25 1p1a s LYS 48 Ca 0.10 -1.12 0.02 0.00 -0.36 0.00 0.00 55.97 54.61 1p1a s LYS 48 Cb -0.09 0.20 -0.02 0.00 -1.51 0.00 0.00 37.83 36.40 1p1a s LYS 48 CO 0.05 -0.10 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.37 1p1a s LEU 49 N -2.68 2.25 0.01 5.43 1.02 -1.26 -0.87 118.68 122.58 1p1a s LEU 49 Ca 0.03 -0.54 0.03 0.00 0.02 0.00 0.00 54.13 53.67 1p1a s LEU 49 Cb 0.05 -0.08 -0.01 0.00 0.02 0.00 0.00 46.19 46.16 1p1a s LEU 49 CO -0.09 -0.23 -0.09 -0.63 0.02 0.00 0.00 176.35 175.33 1p1a s ILE 50 N -1.41 0.66 -0.43 -0.59 -1.09 -0.31 -2.29 121.20 115.74 1p1a s ILE 50 Ca -0.12 -0.59 0.03 0.00 -2.23 0.00 0.00 60.65 57.74 1p1a s ILE 50 Cb -0.10 -0.60 0.12 0.00 -1.58 0.00 0.00 42.46 40.30 1p1a s ILE 50 CO -0.00 0.02 0.19 -0.47 -1.23 0.00 0.00 174.94 173.45 1p1a s TYR 51 N -0.54 2.64 -1.32 3.97 5.04 -0.13 -0.66 117.35 126.36 1p1a s TYR 51 Ca -0.00 -2.67 0.00 0.00 -2.44 0.00 0.00 57.07 51.96 1p1a s TYR 51 Cb -0.05 -2.35 0.00 0.00 0.35 0.00 0.00 41.96 39.91 1p1a s TYR 51 CO 0.00 -0.81 0.00 0.00 -1.34 0.00 0.00 175.55 173.40 1p1a n ALA 52 N 3.71 -0.35 0.00 3.97 0.00 -1.26 -2.36 120.51 124.22 1p1a n ALA 52 Ca 0.05 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1p1a n ALA 52 Cb 0.36 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.40 0.17 3.34 0.00 0.00 -1.26 -5.15 105.19 101.89 1p1a n GLY 53 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 1.28 -0.25 1.61 -2.85 -1.00 -5.14 119.74 113.40 1p1a s LYS 54 Ca 0.00 -1.37 -0.11 0.00 -1.00 0.00 0.00 55.97 53.49 1p1a s LYS 54 Cb 0.00 -1.44 -0.05 0.00 -2.06 0.00 0.00 37.83 34.28 1p1a s LYS 54 CO 0.00 0.31 0.19 0.42 0.10 0.00 0.00 175.35 176.37 1p1a s ILE 55 N -1.76 5.33 0.34 3.79 1.09 -1.26 -0.95 121.20 127.78 1p1a s ILE 55 Ca 0.14 0.21 -0.25 0.00 -1.10 0.00 0.00 60.65 59.66 1p1a s ILE 55 Cb -0.07 -3.53 -0.10 0.00 -1.06 0.00 0.00 42.46 37.70 1p1a s ILE 55 CO 0.07 0.30 0.94 -0.76 -0.10 0.00 0.00 174.94 175.39 1p1a s LEU 56 N 1.37 4.26 -0.04 2.97 1.02 -0.97 -4.98 118.68 122.31 1p1a s LEU 56 Ca 0.08 1.80 0.03 0.00 0.02 0.00 0.00 54.13 56.06 1p1a s LEU 56 Cb -0.15 -4.12 0.01 0.00 0.02 0.00 0.00 46.19 41.95 1p1a s LEU 56 CO 0.07 -0.13 -0.11 0.21 0.02 0.00 0.00 176.35 176.42 1p1a s ASN 57 N -1.73 1.51 0.61 2.29 2.47 -1.26 -4.63 114.94 114.20 1p1a s ASN 57 Ca 0.52 -0.24 0.32 0.00 0.42 0.00 0.00 52.86 53.88 1p1a s ASN 57 Cb -0.17 -0.50 1.79 0.00 -1.45 0.00 0.00 41.25 40.92 1p1a s ASN 57 CO 0.21 0.07 2.12 0.44 -3.72 0.00 0.00 177.10 176.22 1p1a h ASP 58 N 6.56 0.00 -0.06 -4.21 5.19 -1.97 -2.30 116.42 119.63 1p1a h ASP 58 Ca -0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1p1a h ASP 58 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1p1a h ASP 58 CO 0.48 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.70 1p1a n ASP 59 N -3.54 2.41 -4.52 6.45 5.75 -1.26 -3.13 116.55 118.72 1p1a n ASP 59 Ca 0.00 -2.54 -0.34 0.00 -0.01 0.00 0.00 54.79 51.91 1p1a n ASP 59 Cb 0.29 -0.25 -0.12 0.00 -1.03 0.00 0.00 41.12 40.01 1p1a n ASP 59 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1p1a s THR 60 N -1.93 3.75 0.35 2.12 2.01 -0.87 -4.98 115.64 116.09 1p1a s THR 60 Ca 0.19 -0.43 -0.27 0.00 0.31 0.00 0.00 61.69 61.49 1p1a s THR 60 Cb 0.16 -2.60 -0.09 0.00 0.01 0.00 0.00 72.50 69.98 1p1a s THR 60 CO 0.04 0.54 1.20 0.00 -0.69 0.00 0.00 174.62 175.70 1p1a s ALA 61 N -0.11 3.32 0.33 7.40 0.00 -1.26 -2.69 121.76 128.76 1p1a s ALA 61 Ca 0.02 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.04 1p1a s ALA 61 Cb -0.13 -3.40 0.58 0.00 0.00 0.00 0.00 23.12 20.17 1p1a s ALA 61 CO 0.03 -0.49 1.98 -0.07 0.00 0.00 0.00 175.76 177.21 1p1a h LEU 62 N 3.14 0.81 -2.34 0.00 3.38 -1.06 -0.99 115.31 118.25 1p1a h LEU 62 Ca -0.48 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1p1a h LEU 62 Cb 1.23 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1p1a h LEU 62 CO 0.64 0.57 0.00 0.07 0.09 0.00 0.00 178.44 179.81 1p1a h LYS 63 N 0.95 0.00 0.00 1.13 -0.00 -1.33 -2.10 116.57 115.22 1p1a h LYS 63 Ca 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.90 1p1a h LYS 63 Cb -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.21 1p1a h LYS 63 CO -0.07 0.00 -0.15 0.93 -0.00 0.00 0.00 179.45 180.16 1p1a h GLU 64 N 0.00 0.00 -0.01 0.07 5.08 -1.47 -2.34 114.58 115.92 1p1a h GLU 64 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1p1a h GLU 64 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1p1a h GLU 64 CO 0.00 0.15 -0.17 0.66 -1.00 0.00 0.00 179.01 178.65 1p1a n TYR 65 N -3.29 0.00 -4.04 4.33 4.01 -0.79 -4.98 117.16 112.40 1p1a n TYR 65 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 1p1a n TYR 65 Cb 0.40 -0.16 -0.01 0.00 -0.31 0.00 0.00 39.34 39.26 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 -0.83 -4.05 -1.83 -0.72 5.02 -0.88 -4.94 118.16 109.93 1p1a n LYS 66 Ca 0.13 0.46 -0.38 0.00 -2.02 0.00 0.00 58.31 56.51 1p1a n LYS 66 Cb 0.31 -5.11 0.03 0.00 -0.02 0.00 0.00 35.03 30.24 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 -3.45 2.18 -0.03 -0.18 1.01 -1.26 -5.05 121.20 114.43 1p1a s ILE 67 Ca 0.53 0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.34 1p1a s ILE 67 Cb -0.28 -3.07 -0.00 0.00 0.01 0.00 0.00 42.46 39.12 1p1a s ILE 67 CO 0.88 -0.00 -0.12 -0.62 0.00 0.00 0.00 174.94 175.08 1p1a s ASP 68 N -0.97 1.50 0.20 3.58 2.15 -1.26 -5.03 116.67 116.84 1p1a s ASP 68 Ca 0.70 -0.24 0.21 0.00 0.43 0.00 0.00 52.55 53.66 1p1a s ASP 68 Cb -0.39 -0.35 0.90 0.00 -0.30 0.00 0.00 42.92 42.77 1p1a s ASP 68 CO 0.47 0.11 1.64 -1.84 -0.17 0.00 0.00 175.17 175.38 1p1a n GLU 69 N 3.13 0.15 0.00 4.34 0.28 -1.26 -2.33 120.64 124.95 1p1a n GLU 69 Ca -0.17 0.40 0.10 0.00 -0.16 0.00 0.00 57.16 57.33 1p1a n GLU 69 Cb 0.54 -1.79 -0.09 0.00 1.43 0.00 0.00 31.44 31.54 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 -2.07 0.41 -2.88 3.44 4.76 -1.26 -4.59 118.16 115.97 1p1a n LYS 70 Ca 0.02 -0.29 -0.19 0.00 -2.87 0.00 0.00 58.31 54.99 1p1a n LYS 70 Cb 0.20 -1.48 0.07 0.00 -1.84 0.00 0.00 35.03 31.98 1p1a n LYS 70 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1p1a n ASN 71 N -1.07 2.01 -4.15 4.39 3.02 -0.98 -5.10 115.26 113.38 1p1a n ASN 71 Ca 0.05 -2.47 -0.10 0.00 -0.03 0.00 0.00 54.58 52.04 1p1a n ASN 71 Cb 0.37 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 39.02 1p1a n ASN 71 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1p1a s PHE 72 N -2.47 0.79 0.11 3.10 -0.12 -1.26 -4.07 117.98 114.07 1p1a s PHE 72 Ca 0.59 -0.96 0.07 0.00 -0.05 0.00 0.00 56.93 56.58 1p1a s PHE 72 Cb -0.05 -0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 41.82 1p1a s PHE 72 CO 0.37 -0.21 -0.09 0.08 -0.05 0.00 0.00 175.22 175.32 1p1a s VAL 73 N -3.70 3.43 -0.08 -2.49 1.01 -0.14 -4.21 120.40 114.22 1p1a s VAL 73 Ca 0.11 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 60.85 1p1a s VAL 73 Cb 0.06 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1p1a s VAL 73 CO -0.06 0.10 -0.16 -0.69 0.00 0.00 0.00 175.10 174.28 1p1a s VAL 74 N -1.26 2.85 -0.07 2.92 1.01 0.17 -0.63 120.40 125.40 1p1a s VAL 74 Ca 0.22 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1p1a s VAL 74 Cb -0.11 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1p1a s VAL 74 CO 0.14 0.57 -0.21 0.68 0.00 0.00 0.00 175.10 176.28 1p1a s VAL 75 N -0.26 2.46 0.08 2.92 -7.23 0.04 -1.16 120.40 117.24 1p1a s VAL 75 Ca 0.01 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1p1a s VAL 75 Cb -0.13 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 1p1a s VAL 75 CO 0.03 0.57 -0.04 -0.04 -0.31 0.00 0.00 175.10 175.31 1p1a s MET 76 N -0.19 0.72 0.17 4.82 -1.94 -0.05 -2.41 119.30 120.43 1p1a s MET 76 Ca -0.02 -1.28 0.06 0.00 -1.71 0.00 0.00 55.69 52.74 1p1a s MET 76 Cb -0.14 0.04 -0.04 0.00 2.01 0.00 0.00 34.83 36.70 1p1a s MET 76 CO 0.03 -0.08 -0.13 0.14 -0.01 0.00 0.00 175.02 174.97 1p1a s VAL 77 N -3.81 1.47 -0.06 -6.03 -7.23 -1.26 -0.62 120.40 102.86 1p1a s VAL 77 Ca 0.10 -2.09 -0.03 0.00 -1.81 0.00 0.00 61.98 58.16 1p1a s VAL 77 Cb 0.07 -1.90 0.04 0.00 0.56 0.00 0.00 36.38 35.14 1p1a s VAL 77 CO -0.07 -0.62 0.07 0.42 -0.31 0.00 0.00 175.10 174.58 1p1a s THR 78 N -2.98 -0.11 0.00 5.32 -4.23 -0.55 -5.00 115.64 108.09 1p1a s THR 78 Ca 0.18 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1p1a s THR 78 Cb -0.00 -0.23 0.00 0.00 1.34 0.00 0.00 72.50 73.61 1p1a s THR 78 CO 0.04 0.10 0.00 1.17 -0.54 0.00 0.00 174.62 175.39 1p1a n LYS 79 N 5.30 0.00 -1.62 3.99 3.00 -1.26 -4.68 118.16 122.89 1p1a n LYS 79 Ca -0.04 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.96 1p1a n LYS 79 Cb 0.50 -0.27 0.05 0.00 0.00 0.00 0.00 35.03 35.31 1p1a n LYS 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1p1a s PRO 80 N -1.00 2.85 0.00 1.64 0.04 -1.26 -4.94 135.00 132.33 1p1a s PRO 80 Ca 0.00 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1p1a s PRO 80 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1p1a s PRO 80 CO 0.00 -1.18 0.00 1.63 0.04 0.00 0.00 177.00 177.49 1p1a n LYS 81 N -2.90 0.00 -2.07 4.56 5.02 -1.26 -4.90 118.16 116.61 1p1a n LYS 81 Ca 0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.95 1p1a n LYS 81 Cb 0.53 -0.30 -0.03 0.00 -0.02 0.00 0.00 35.03 35.22 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 0.00 3.13 -0.00 7.82 0.00 -1.26 -5.00 121.76 126.44 1p1a s ALA 82 Ca 0.00 0.40 -0.00 0.00 0.00 0.00 0.00 51.96 52.35 1p1a s ALA 82 Cb 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1p1a s ALA 82 CO 0.00 -2.20 0.01 0.08 0.00 0.00 0.00 175.76 173.65 1p1a s VAL 83 N 5.81 -0.00 0.07 0.00 1.01 -1.26 -4.64 120.40 121.38 1p1a s VAL 83 Ca 0.75 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.79 1p1a s VAL 83 Cb -0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1p1a s VAL 83 CO 0.31 0.01 -0.14 -0.44 0.00 0.00 0.00 175.10 174.83 1p1a s SER 84 N 0.06 1.72 0.00 3.32 0.01 -1.26 -5.24 113.70 112.31 1p1a s SER 84 Ca -0.01 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1p1a s SER 84 Cb -0.01 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1p1a s SER 84 CO -0.00 -0.08 0.00 1.07 0.41 0.00 0.00 173.24 174.64