#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 0.63 -4.12 1.61 7.64 -1.26 -4.79 113.62 113.32 1p1a n SER 2 Ca 0.00 0.70 -0.08 0.00 1.01 0.00 0.00 58.87 60.50 1p1a n SER 2 Cb 0.00 -0.82 -0.10 0.00 -1.01 0.00 0.00 64.21 62.28 1p1a n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1p1a s HIS 3 N -3.40 0.67 -0.00 1.43 0.09 -1.26 -4.39 115.29 108.43 1p1a s HIS 3 Ca 0.02 -1.04 -0.00 0.00 -0.00 0.00 0.00 55.06 54.04 1p1a s HIS 3 Cb 0.08 -0.44 -0.00 0.00 -0.00 0.00 0.00 32.58 32.22 1p1a s HIS 3 CO 0.32 -0.32 0.01 1.41 -0.00 0.00 0.00 174.74 176.15 1p1a s MET 4 N -3.90 0.04 0.01 1.40 -2.45 -0.02 -4.84 119.30 109.55 1p1a s MET 4 Ca 0.10 -0.05 -0.02 0.00 -1.25 0.00 0.00 55.69 54.47 1p1a s MET 4 Cb 0.07 0.02 -0.04 0.00 1.25 0.00 0.00 34.83 36.13 1p1a s MET 4 CO -0.07 -0.01 0.19 -0.65 1.05 0.00 0.00 175.02 175.54 1p1a s GLN 5 N -0.15 3.44 0.00 4.11 -0.21 -1.26 -1.72 119.66 123.87 1p1a s GLN 5 Ca -0.02 -0.35 -0.00 0.00 0.02 0.00 0.00 55.36 55.01 1p1a s GLN 5 Cb -0.01 -3.08 -0.00 0.00 1.00 0.00 0.00 33.01 30.92 1p1a s GLN 5 CO -0.00 0.65 0.00 0.08 -2.12 0.00 0.00 175.29 173.90 1p1a s VAL 6 N -1.39 0.01 -0.22 1.09 1.01 0.24 -3.72 120.40 117.43 1p1a s VAL 6 Ca 0.30 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 1p1a s VAL 6 Cb -0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 1p1a s VAL 6 CO 0.22 -0.05 0.11 -0.89 0.00 0.00 0.00 175.10 174.49 1p1a s THR 7 N -0.15 5.02 -0.16 3.92 2.01 -1.26 -1.07 115.64 123.95 1p1a s THR 7 Ca -0.02 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1p1a s THR 7 Cb -0.01 -3.31 0.02 0.00 0.01 0.00 0.00 72.50 69.20 1p1a s THR 7 CO -0.00 0.39 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.35 1p1a s LEU 8 N 0.86 2.09 0.27 4.42 1.43 0.57 -0.52 118.68 127.80 1p1a s LEU 8 Ca 0.06 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 52.59 1p1a s LEU 8 Cb -0.13 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 1p1a s LEU 8 CO 0.03 0.03 0.39 -0.54 0.23 0.00 0.00 176.35 176.49 1p1a s LYS 9 N 1.09 3.37 0.13 1.70 1.02 0.30 -1.55 119.74 125.80 1p1a s LYS 9 Ca -0.00 -0.80 -0.01 0.00 0.02 0.00 0.00 55.97 55.18 1p1a s LYS 9 Cb -0.14 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1p1a s LYS 9 CO -0.08 0.34 0.05 0.95 -0.92 0.00 0.00 175.35 175.69 1p1a s THR 10 N -2.04 0.15 0.62 2.17 -4.23 -1.05 -1.05 115.64 110.20 1p1a s THR 10 Ca 0.37 -1.91 0.35 0.00 -1.18 0.00 0.00 61.69 59.31 1p1a s THR 10 Cb -0.09 -2.04 0.39 0.00 1.34 0.00 0.00 72.50 72.10 1p1a s THR 10 CO 0.30 -0.48 2.29 -0.07 -0.54 0.00 0.00 174.62 176.12 1p1a h LEU 11 N 2.86 0.00 -0.57 4.79 -0.00 -1.92 -1.97 115.31 118.51 1p1a h LEU 11 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 1p1a h LEU 11 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1p1a h LEU 11 CO 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 179.04 1p1a n GLN 12 N -3.59 0.97 -3.79 1.13 3.00 -1.26 -4.90 117.38 108.95 1p1a n GLN 12 Ca -0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.69 1p1a n GLN 12 Cb 0.09 -1.27 0.04 0.00 0.00 0.00 0.00 30.24 29.10 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 -0.21 -6.14 -4.07 -1.09 6.02 -0.74 -4.98 117.38 106.18 1p1a n GLN 13 Ca 0.00 0.67 -0.07 0.00 -0.01 0.00 0.00 57.00 57.59 1p1a n GLN 13 Cb 0.14 -5.57 -0.10 0.00 1.02 0.00 0.00 30.24 25.73 1p1a n GLN 13 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1p1a s GLN 14 N -6.42 0.62 0.00 -1.09 -2.07 -1.26 -5.02 119.66 104.43 1p1a s GLN 14 Ca 0.54 -1.17 0.01 0.00 -1.82 0.00 0.00 55.36 52.92 1p1a s GLN 14 Cb -0.26 0.22 -0.01 0.00 -1.09 0.00 0.00 33.01 31.87 1p1a s GLN 14 CO 0.80 -0.12 -0.04 0.99 -1.32 0.00 0.00 175.29 175.60 1p1a s THR 15 N -3.81 0.28 0.06 3.63 2.01 -1.26 -2.53 115.64 114.02 1p1a s THR 15 Ca 0.06 -0.26 -0.11 0.00 0.31 0.00 0.00 61.69 61.68 1p1a s THR 15 Cb 0.07 -0.26 0.01 0.00 0.01 0.00 0.00 72.50 72.33 1p1a s THR 15 CO -0.10 0.00 0.24 0.72 -0.69 0.00 0.00 174.62 174.80 1p1a s PHE 16 N -0.26 0.01 -0.01 4.92 -0.71 -0.59 -4.98 117.98 116.35 1p1a s PHE 16 Ca -0.01 -0.27 0.04 0.00 -1.04 0.00 0.00 56.93 55.65 1p1a s PHE 16 Cb -0.02 0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.78 1p1a s PHE 16 CO -0.00 -0.50 -0.10 0.15 -1.34 0.00 0.00 175.22 173.43 1p1a s LYS 17 N -2.99 2.50 0.16 1.99 1.02 -1.26 -0.31 119.74 120.85 1p1a s LYS 17 Ca -0.02 -0.73 0.06 0.00 0.02 0.00 0.00 55.97 55.30 1p1a s LYS 17 Cb 0.01 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.83 1p1a s LYS 17 CO -0.06 0.61 -0.13 0.42 -0.92 0.00 0.00 175.35 175.27 1p1a s ILE 18 N -0.91 1.41 -0.02 2.17 -1.09 -0.24 -4.98 121.20 117.56 1p1a s ILE 18 Ca 0.15 -2.03 0.00 0.00 -2.23 0.00 0.00 60.65 56.54 1p1a s ILE 18 Cb -0.11 -1.84 0.01 0.00 -1.58 0.00 0.00 42.46 38.94 1p1a s ILE 18 CO 0.05 -0.61 -0.01 1.51 -1.23 0.00 0.00 174.94 174.65 1p1a s ASP 19 N -3.04 0.29 0.23 3.58 -4.77 -1.26 -0.59 116.67 111.10 1p1a s ASP 19 Ca 0.17 -0.02 -0.06 0.00 -3.30 0.00 0.00 52.55 49.33 1p1a s ASP 19 Cb -0.00 -0.11 -0.02 0.00 -1.09 0.00 0.00 42.92 41.69 1p1a s ASP 19 CO 0.03 -0.05 0.30 0.27 0.70 0.00 0.00 175.17 176.42 1p1a s ILE 20 N 0.54 0.00 -0.12 2.11 -0.00 -0.70 -4.98 121.20 118.05 1p1a s ILE 20 Ca -0.05 -1.73 -0.29 0.00 -0.00 0.00 0.00 60.65 58.58 1p1a s ILE 20 Cb -0.08 -2.37 -0.03 0.00 -0.00 0.00 0.00 42.46 39.98 1p1a s ILE 20 CO -0.01 0.00 1.42 -0.62 -0.00 0.00 0.00 174.94 175.73 1p1a s ASP 21 N -3.10 6.83 0.15 4.36 -1.08 -1.26 -0.84 116.67 121.73 1p1a s ASP 21 Ca 0.31 1.92 0.19 0.00 -0.52 0.00 0.00 52.55 54.45 1p1a s ASP 21 Cb 0.03 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 39.76 1p1a s ASP 21 CO 0.11 -0.83 1.58 -0.81 0.52 0.00 0.00 175.17 175.74 1p1a n PRO 22 N 6.81 0.11 0.00 4.34 -0.04 -1.26 -1.78 135.00 143.18 1p1a n PRO 22 Ca 0.15 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 64.13 1p1a n PRO 22 Cb 0.44 -1.71 0.61 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.92 0.75 -2.15 0.54 1.02 -1.26 -1.41 120.64 116.22 1p1a n GLU 23 Ca 0.02 -0.26 -0.29 0.00 -0.02 0.00 0.00 57.16 56.61 1p1a n GLU 23 Cb 0.18 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.43 2.98 0.83 3.49 0.41 -0.73 -4.74 118.70 118.51 1p1a s GLU 24 Ca 0.30 0.27 -0.12 0.00 -0.41 0.00 0.00 54.97 55.01 1p1a s GLU 24 Cb 0.20 -2.15 0.09 0.00 -1.78 0.00 0.00 34.13 30.49 1p1a s GLU 24 CO 0.46 -0.81 1.17 0.95 -0.49 0.00 0.00 175.26 176.54 1p1a s THR 25 N -3.15 2.00 0.59 3.63 -4.23 -1.26 -1.21 115.64 112.01 1p1a s THR 25 Ca 0.55 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.35 1p1a s THR 25 Cb -0.11 -2.94 0.38 0.00 1.34 0.00 0.00 72.50 71.17 1p1a s THR 25 CO 0.49 0.00 1.86 0.58 -0.54 0.00 0.00 174.62 177.01 1p1a h VAL 26 N -1.17 0.32 -0.93 2.29 2.07 -1.74 -0.68 116.25 116.41 1p1a h VAL 26 Ca -0.47 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.30 1p1a h VAL 26 Cb 1.33 0.58 -0.14 0.00 -1.52 0.00 0.00 31.29 31.55 1p1a h VAL 26 CO 0.65 0.00 0.41 0.11 0.02 0.00 0.00 177.57 178.76 1p1a h LYS 27 N 0.00 0.33 -0.78 1.57 1.57 -1.90 -1.68 116.57 115.69 1p1a h LYS 27 Ca 0.22 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1p1a h LYS 27 Cb 1.25 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 1p1a h LYS 27 CO -0.00 0.22 0.38 0.00 -0.57 0.00 0.00 179.45 179.48 1p1a h ALA 28 N 1.77 1.00 -0.05 3.86 0.00 -1.47 0.11 119.26 124.48 1p1a h ALA 28 Ca 0.61 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1p1a h ALA 28 Cb 1.25 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1p1a h ALA 28 CO -0.58 0.56 -0.06 -0.07 0.00 0.00 0.00 179.25 179.10 1p1a h LEU 29 N 1.09 0.13 0.00 0.00 3.38 -1.64 -3.27 115.31 115.01 1p1a h LEU 29 Ca 0.27 -0.50 -0.19 0.00 0.09 0.00 0.00 57.88 57.55 1p1a h LEU 29 Cb 0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1p1a h LEU 29 CO -0.03 0.61 -0.93 0.07 0.09 0.00 0.00 178.44 178.24 1p1a h LYS 30 N -0.34 0.00 -0.50 1.13 5.09 -0.97 -3.06 116.57 117.93 1p1a h LYS 30 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.64 1p1a h LYS 30 Cb 0.57 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.88 1p1a h LYS 30 CO 0.01 0.88 -0.13 0.93 -2.09 0.00 0.00 179.45 179.06 1p1a h GLU 31 N 0.00 0.94 -0.22 0.07 5.08 -0.96 -3.33 114.58 116.16 1p1a h GLU 31 Ca -0.02 -0.35 -0.15 0.00 -1.00 0.00 0.00 59.36 57.84 1p1a h GLU 31 Cb 1.70 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.89 1p1a h GLU 31 CO 0.12 1.01 -0.50 1.57 -1.00 0.00 0.00 179.01 180.21 1p1a h LYS 32 N 0.84 0.59 0.00 2.33 5.09 -1.58 -3.19 116.57 120.65 1p1a h LYS 32 Ca 0.13 -0.35 0.00 0.00 0.09 0.00 0.00 60.65 60.52 1p1a h LYS 32 Cb 0.67 0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.03 1p1a h LYS 32 CO 0.05 0.95 0.00 -0.84 -2.09 0.00 0.00 179.45 177.52 1p1a h ILE 33 N 0.47 0.00 -0.46 0.07 -0.00 -1.65 -3.05 117.51 112.88 1p1a h ILE 33 Ca 0.02 -0.59 0.06 0.00 -0.00 0.00 0.00 64.86 64.35 1p1a h ILE 33 Cb 1.03 1.56 -0.03 0.00 -0.00 0.00 0.00 36.82 39.39 1p1a h ILE 33 CO 0.10 0.00 0.31 -0.08 -0.00 0.00 0.00 178.15 178.48 1p1a h GLU 34 N 0.00 0.36 0.00 0.16 4.81 -1.68 -1.77 114.58 116.46 1p1a h GLU 34 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1p1a h GLU 34 Cb 0.62 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1p1a h GLU 34 CO 0.00 0.24 0.00 0.66 -0.73 0.00 0.00 179.01 179.18 1p1a h SER 35 N 0.37 0.00 0.17 1.04 4.64 -1.73 -1.07 113.55 116.96 1p1a h SER 35 Ca 0.20 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.17 1p1a h SER 35 Cb 0.33 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.37 1p1a h SER 35 CO -0.05 0.00 -2.11 -0.62 -0.87 0.00 0.00 176.83 173.18 1p1a n GLU 36 N -3.02 0.69 0.00 4.77 1.02 -0.74 -4.59 120.64 118.78 1p1a n GLU 36 Ca 0.03 0.19 0.01 0.00 -0.02 0.00 0.00 57.16 57.37 1p1a n GLU 36 Cb 0.44 -1.65 -0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 -3.16 2.79 0.00 3.49 4.01 -0.78 -5.12 118.16 119.38 1p1a n LYS 37 Ca -0.31 -0.32 0.00 0.00 -0.51 0.00 0.00 58.31 57.16 1p1a n LYS 37 Cb 1.06 -0.82 0.00 0.00 -0.51 0.00 0.00 35.03 34.75 1p1a n LYS 37 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1p1a n GLY 38 N 0.59 -0.19 0.32 0.72 0.00 -0.41 -4.42 105.19 101.80 1p1a n GLY 38 Ca 0.01 -1.41 0.15 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 0.00 1.61 3.11 -1.78 -0.23 116.57 119.28 1p1a h LYS 39 Ca 0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1p1a h LYS 39 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1p1a h LYS 39 CO 0.00 0.00 -0.00 0.22 -2.81 0.00 0.00 179.45 176.86 1p1a h ASP 40 N 0.00 0.00 0.00 4.20 3.58 -1.93 -2.97 116.42 119.30 1p1a h ASP 40 Ca 0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1p1a h ASP 40 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1p1a h ASP 40 CO -0.00 0.00 -0.64 0.00 -2.88 0.00 0.00 179.24 175.72 1p1a n ALA 41 N -2.10 1.42 -3.19 -0.78 0.00 -0.67 -4.91 120.51 110.28 1p1a n ALA 41 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 1p1a n ALA 41 Cb 0.10 0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.16 -0.19 -2.11 0.00 3.72 -0.18 -4.92 117.46 112.62 1p1a n PHE 42 Ca 0.00 -3.64 -0.41 0.00 -0.05 0.00 0.00 57.45 53.34 1p1a n PHE 42 Cb 0.13 -0.37 -0.03 0.00 -0.94 0.00 0.00 39.48 38.27 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 -1.59 4.32 0.51 -1.08 0.04 -1.12 -4.49 135.00 131.60 1p1a s PRO 43 Ca 0.37 2.18 0.25 0.00 0.04 0.00 0.00 61.00 63.84 1p1a s PRO 43 Cb 0.23 -3.15 1.36 0.00 0.04 0.00 0.00 34.50 32.98 1p1a s PRO 43 CO -0.10 -0.34 1.95 0.28 0.04 0.00 0.00 177.00 178.82 1p1a h VAL 44 N 3.65 0.69 0.00 -0.36 2.07 -1.89 0.66 116.25 121.06 1p1a h VAL 44 Ca -0.45 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1p1a h VAL 44 Cb 1.22 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1p1a h VAL 44 CO 0.78 0.01 0.00 0.00 0.02 0.00 0.00 177.57 178.38 1p1a n ALA 45 N -2.64 1.88 -1.28 1.67 0.00 -1.26 -4.39 120.51 114.49 1p1a n ALA 45 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1p1a n ALA 45 Cb 0.71 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.48 1.00 3.88 0.00 0.00 -0.43 -5.08 105.19 105.04 1p1a n GLY 46 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 3.67 0.05 1.61 -2.07 0.09 -1.51 119.66 121.50 1p1a s GLN 47 Ca 0.00 0.51 -0.01 0.00 -1.82 0.00 0.00 55.36 54.04 1p1a s GLN 47 Cb 0.00 -2.27 -0.04 0.00 -1.09 0.00 0.00 33.01 29.61 1p1a s GLN 47 CO 0.00 -0.27 -0.03 0.15 -1.32 0.00 0.00 175.29 173.83 1p1a s LYS 48 N -4.54 0.58 0.01 9.60 1.02 0.53 -4.97 119.74 121.98 1p1a s LYS 48 Ca 0.52 -1.16 -0.00 0.00 0.02 0.00 0.00 55.97 55.35 1p1a s LYS 48 Cb -0.10 0.20 -0.01 0.00 -0.52 0.00 0.00 37.83 37.39 1p1a s LYS 48 CO 0.42 -0.11 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.22 1p1a s LEU 49 N -2.77 2.14 0.02 3.17 1.02 -1.26 -0.64 118.68 120.35 1p1a s LEU 49 Ca 0.05 -0.37 0.03 0.00 0.02 0.00 0.00 54.13 53.86 1p1a s LEU 49 Cb 0.06 0.11 -0.02 0.00 0.02 0.00 0.00 46.19 46.37 1p1a s LEU 49 CO -0.09 -0.24 -0.11 -0.63 0.02 0.00 0.00 176.35 175.30 1p1a s ILE 50 N -1.13 0.84 -0.38 -0.59 -1.09 -0.03 -2.20 121.20 116.61 1p1a s ILE 50 Ca -0.12 -0.73 0.02 0.00 -2.23 0.00 0.00 60.65 57.59 1p1a s ILE 50 Cb -0.08 -0.76 0.11 0.00 -1.58 0.00 0.00 42.46 40.16 1p1a s ILE 50 CO -0.01 0.04 0.14 -0.47 -1.23 0.00 0.00 174.94 173.41 1p1a s TYR 51 N -0.63 2.62 -0.44 3.97 5.04 0.16 -0.65 117.35 127.42 1p1a s TYR 51 Ca 0.01 -2.51 0.00 0.00 -2.44 0.00 0.00 57.07 52.13 1p1a s TYR 51 Cb -0.06 -2.29 0.00 0.00 0.35 0.00 0.00 41.96 39.96 1p1a s TYR 51 CO 0.00 -0.85 0.00 0.00 -1.34 0.00 0.00 175.55 173.36 1p1a n ALA 52 N 4.07 -0.06 0.00 3.97 0.00 -1.26 -2.44 120.51 124.79 1p1a n ALA 52 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1p1a n ALA 52 Cb 0.39 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.52 -0.40 3.26 0.00 0.00 -1.26 -5.15 105.19 102.16 1p1a n GLY 53 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1p1a n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p1a s LYS 54 N 0.00 1.15 -0.16 1.61 2.20 -1.02 -5.13 119.74 118.38 1p1a s LYS 54 Ca 0.00 -1.06 -0.18 0.00 -0.36 0.00 0.00 55.97 54.37 1p1a s LYS 54 Cb 0.00 -1.34 -0.04 0.00 -1.51 0.00 0.00 37.83 34.94 1p1a s LYS 54 CO 0.00 0.32 0.46 0.42 -0.36 0.00 0.00 175.35 176.19 1p1a s ILE 55 N -1.06 5.18 -0.72 5.43 1.01 -1.26 -0.66 121.20 129.11 1p1a s ILE 55 Ca 0.06 0.88 -0.27 0.00 0.00 0.00 0.00 60.65 61.32 1p1a s ILE 55 Cb -0.10 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.59 1p1a s ILE 55 CO 0.03 0.28 1.47 -0.76 0.00 0.00 0.00 174.94 175.96 1p1a s LEU 56 N 1.02 3.21 0.14 2.97 1.43 -0.94 -4.94 118.68 121.57 1p1a s LEU 56 Ca 0.24 -0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 52.76 1p1a s LEU 56 Cb -0.15 -2.55 -0.09 0.00 0.03 0.00 0.00 46.19 43.43 1p1a s LEU 56 CO 0.09 -2.00 1.43 0.21 0.23 0.00 0.00 176.35 176.31 1p1a s ASN 57 N 5.16 6.76 0.00 2.29 2.47 -1.26 -4.70 114.94 125.66 1p1a s ASN 57 Ca 0.46 2.42 0.18 0.00 0.42 0.00 0.00 52.86 56.34 1p1a s ASN 57 Cb -0.09 -2.59 1.07 0.00 -1.45 0.00 0.00 41.25 38.19 1p1a s ASN 57 CO 0.15 -0.69 1.51 -0.67 -3.72 0.00 0.00 177.10 173.68 1p1a n ASP 58 N 3.81 0.00 -0.12 -4.21 2.03 -1.26 -2.46 116.55 114.34 1p1a n ASP 58 Ca 0.12 -0.48 0.06 0.00 0.52 0.00 0.00 54.79 55.01 1p1a n ASP 58 Cb 0.41 -0.05 0.09 0.00 -0.72 0.00 0.00 41.12 40.85 1p1a n ASP 58 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1p1a n ASP 59 N -1.05 1.83 -4.09 1.67 2.03 -1.26 -4.45 116.55 111.23 1p1a n ASP 59 Ca 0.13 -2.63 -0.24 0.00 0.52 0.00 0.00 54.79 52.58 1p1a n ASP 59 Cb 0.08 -0.29 -0.16 0.00 -0.72 0.00 0.00 41.12 40.02 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 -1.97 1.18 0.40 5.18 2.01 -1.03 -5.05 115.64 116.36 1p1a s THR 60 Ca 0.20 -0.58 -0.26 0.00 0.31 0.00 0.00 61.69 61.35 1p1a s THR 60 Cb 0.17 -1.02 -0.09 0.00 0.01 0.00 0.00 72.50 71.58 1p1a s THR 60 CO 0.02 0.35 1.30 0.00 -0.69 0.00 0.00 174.62 175.59 1p1a s ALA 61 N 0.06 3.28 0.42 7.40 0.00 -1.26 -3.22 121.76 128.43 1p1a s ALA 61 Ca -0.03 1.23 0.10 0.00 0.00 0.00 0.00 51.96 53.26 1p1a s ALA 61 Cb -0.10 -3.48 0.89 0.00 0.00 0.00 0.00 23.12 20.43 1p1a s ALA 61 CO 0.01 -0.80 2.00 -0.07 0.00 0.00 0.00 175.76 176.90 1p1a h LEU 62 N 2.74 0.26 -2.31 0.00 3.38 -0.83 -2.39 115.31 116.15 1p1a h LEU 62 Ca -0.50 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 1p1a h LEU 62 Cb 1.24 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1p1a h LEU 62 CO 0.63 0.30 -0.02 0.07 0.09 0.00 0.00 178.44 179.51 1p1a h LYS 63 N 0.28 0.00 0.00 1.13 -0.00 -1.52 -1.45 116.57 115.01 1p1a h LYS 63 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.70 1p1a h LYS 63 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.41 1p1a h LYS 63 CO 0.00 0.02 -0.07 0.93 -0.00 0.00 0.00 179.45 180.33 1p1a h GLU 64 N 0.00 0.00 -0.02 0.07 3.07 -1.74 -2.39 114.58 113.58 1p1a h GLU 64 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1p1a h GLU 64 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1p1a h GLU 64 CO 0.00 0.07 -0.09 0.66 -1.40 0.00 0.00 179.01 178.25 1p1a n TYR 65 N -3.31 0.00 -4.26 4.33 4.01 -0.55 -4.98 117.16 112.40 1p1a n TYR 65 Ca -0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.38 1p1a n TYR 65 Cb 0.26 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.21 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 0.12 -2.35 -1.60 -0.72 5.02 -0.90 -4.93 118.16 112.81 1p1a n LYS 66 Ca 0.16 0.29 -0.35 0.00 -2.02 0.00 0.00 58.31 56.39 1p1a n LYS 66 Cb 0.39 -4.71 0.08 0.00 -0.02 0.00 0.00 35.03 30.77 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 -3.55 2.44 0.06 -0.18 1.01 -1.26 -5.06 121.20 114.66 1p1a s ILE 67 Ca 0.53 0.23 0.03 0.00 0.00 0.00 0.00 60.65 61.44 1p1a s ILE 67 Cb -0.30 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1p1a s ILE 67 CO 0.95 -0.10 -0.10 -0.62 0.00 0.00 0.00 174.94 175.07 1p1a s ASP 68 N -1.95 1.20 0.35 3.58 -1.08 -1.26 -5.06 116.67 112.45 1p1a s ASP 68 Ca 0.75 -0.64 0.27 0.00 -0.52 0.00 0.00 52.55 52.40 1p1a s ASP 68 Cb -0.29 0.01 1.09 0.00 -1.46 0.00 0.00 42.92 42.27 1p1a s ASP 68 CO 0.42 -0.20 1.80 -0.33 0.52 0.00 0.00 175.17 177.39 1p1a h GLU 69 N 4.18 0.00 0.00 4.34 5.08 -1.98 -3.13 114.58 123.07 1p1a h GLU 69 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1p1a h GLU 69 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1p1a h GLU 69 CO 0.44 0.00 -0.20 0.36 -1.00 0.00 0.00 179.01 178.61 1p1a n LYS 70 N -2.52 0.73 -2.98 2.33 -0.00 -1.26 -4.65 118.16 109.81 1p1a n LYS 70 Ca 0.02 -1.38 -0.19 0.00 -0.00 0.00 0.00 58.31 56.76 1p1a n LYS 70 Cb 0.27 -0.83 0.04 0.00 -0.00 0.00 0.00 35.03 34.51 1p1a n LYS 70 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1p1a s ASN 71 N -1.29 5.28 0.08 -5.58 0.01 -1.18 -5.12 114.94 107.14 1p1a s ASN 71 Ca 0.08 -0.61 0.01 0.00 -0.71 0.00 0.00 52.86 51.63 1p1a s ASN 71 Cb 0.07 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.53 1p1a s ASN 71 CO 0.01 -1.14 -0.05 0.72 -1.51 0.00 0.00 177.10 175.13 1p1a s PHE 72 N -2.58 0.77 0.12 2.20 -0.12 -1.26 -4.05 117.98 113.06 1p1a s PHE 72 Ca 0.59 -0.98 0.10 0.00 -0.05 0.00 0.00 56.93 56.59 1p1a s PHE 72 Cb -0.08 -0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 41.80 1p1a s PHE 72 CO 0.37 -0.24 -0.21 0.08 -0.05 0.00 0.00 175.22 175.17 1p1a s VAL 73 N -3.74 2.65 -0.13 -2.49 1.01 0.32 -4.28 120.40 113.74 1p1a s VAL 73 Ca 0.11 -1.60 0.02 0.00 0.00 0.00 0.00 61.98 60.52 1p1a s VAL 73 Cb 0.06 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1p1a s VAL 73 CO -0.06 0.09 -0.21 -0.69 0.00 0.00 0.00 175.10 174.23 1p1a s VAL 74 N -1.13 1.96 -0.12 2.92 1.01 0.18 -0.54 120.40 124.68 1p1a s VAL 74 Ca 0.17 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 1p1a s VAL 74 Cb -0.10 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1p1a s VAL 74 CO 0.09 0.53 0.14 -0.69 0.00 0.00 0.00 175.10 175.17 1p1a s VAL 75 N 0.83 5.50 0.13 2.92 1.01 -0.22 -0.85 120.40 129.71 1p1a s VAL 75 Ca -0.07 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1p1a s VAL 75 Cb -0.15 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1p1a s VAL 75 CO -0.01 0.61 -0.07 -0.04 0.00 0.00 0.00 175.10 175.58 1p1a s MET 76 N -0.93 0.98 0.03 2.72 -1.94 0.18 -4.09 119.30 116.25 1p1a s MET 76 Ca 0.15 -1.42 -0.01 0.00 -1.71 0.00 0.00 55.69 52.69 1p1a s MET 76 Cb -0.12 -0.41 -0.02 0.00 2.01 0.00 0.00 34.83 36.29 1p1a s MET 76 CO 0.04 0.01 -0.00 0.54 -0.01 0.00 0.00 175.02 175.59 1p1a s VAL 77 N -3.49 0.13 0.02 -6.03 0.11 -1.26 -0.35 120.40 109.53 1p1a s VAL 77 Ca 0.16 -1.08 -0.00 0.00 -2.93 0.00 0.00 61.98 58.13 1p1a s VAL 77 Cb 0.04 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.30 1p1a s VAL 77 CO -0.01 -0.59 -0.03 0.28 -3.33 0.00 0.00 175.10 171.42 1p1a s THR 78 N -2.02 0.12 -0.48 5.04 -1.32 -0.57 -5.00 115.64 111.41 1p1a s THR 78 Ca -0.11 -0.98 0.05 0.00 -1.21 0.00 0.00 61.69 59.45 1p1a s THR 78 Cb -0.06 -0.36 0.19 0.00 -1.51 0.00 0.00 72.50 70.76 1p1a s THR 78 CO -0.03 -0.54 0.42 1.17 -2.21 0.00 0.00 174.62 173.43 1p1a n LYS 79 N 1.48 0.69 0.23 7.08 3.00 -1.26 -4.63 118.16 124.75 1p1a n LYS 79 Ca -0.23 -3.51 0.16 0.00 -0.00 0.00 0.00 58.31 54.73 1p1a n LYS 79 Cb 0.55 -1.75 0.80 0.00 0.00 0.00 0.00 35.03 34.64 1p1a n LYS 79 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1p1a h PRO 80 N 5.28 0.00 -0.85 1.64 0.13 -1.98 -0.97 132.00 135.25 1p1a h PRO 80 Ca 0.21 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.39 1p1a h PRO 80 Cb 0.86 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.94 1p1a h PRO 80 CO 0.47 0.00 0.55 -0.22 -0.23 0.00 0.00 178.00 178.58 1p1a h LYS 81 N 0.00 1.00 -2.43 0.86 1.63 -2.04 -3.37 116.57 112.22 1p1a h LYS 81 Ca 0.00 -0.06 -0.56 0.00 -0.85 0.00 0.00 60.65 59.18 1p1a h LYS 81 Cb 0.10 -0.22 -0.38 0.00 -0.60 0.00 0.00 32.23 31.12 1p1a h LYS 81 CO 0.00 0.66 -0.88 0.00 -3.45 0.00 0.00 179.45 175.77 1p1a s ALA 82 N -5.88 0.97 0.00 5.00 0.00 -0.37 -4.96 121.76 116.51 1p1a s ALA 82 Ca -0.11 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 49.84 1p1a s ALA 82 Cb 0.19 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1p1a s ALA 82 CO 0.79 -2.06 0.12 1.55 0.00 0.00 0.00 175.76 176.16 1p1a n VAL 83 N 3.57 0.00 -4.18 0.00 3.14 -1.22 -4.77 118.33 114.88 1p1a n VAL 83 Ca 0.19 -0.26 -0.18 0.00 -2.96 0.00 0.00 64.34 61.12 1p1a n VAL 83 Cb 0.42 1.22 -0.12 0.00 -1.06 0.00 0.00 33.84 34.31 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 -0.28 1.71 0.00 6.55 0.01 -1.26 -5.10 113.70 115.34 1p1a s SER 84 Ca 0.00 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1p1a s SER 84 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1p1a s SER 84 CO 0.00 -0.07 0.00 0.35 0.41 0.00 0.00 173.24 173.93