#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 -5.24 1.61 4.64 -2.03 -3.46 113.55 109.07 1p1a h SER 2 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1p1a h SER 2 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 1p1a h SER 2 CO 0.00 0.07 -0.26 -1.38 -0.87 0.00 0.00 176.83 174.39 1p1a s HIS 3 N -3.98 0.33 0.06 4.77 0.00 -1.26 -4.45 115.29 110.75 1p1a s HIS 3 Ca -0.02 -0.69 -0.01 0.00 -3.00 0.00 0.00 55.06 51.34 1p1a s HIS 3 Cb 0.12 0.02 -0.04 0.00 -4.00 0.00 0.00 32.58 28.67 1p1a s HIS 3 CO 0.54 -0.77 -0.03 0.00 -1.00 0.00 0.00 174.74 173.48 1p1a s MET 4 N -3.96 0.64 0.05 -0.38 0.00 -0.17 -4.82 119.30 110.66 1p1a s MET 4 Ca 0.17 -1.24 0.06 0.00 0.00 0.00 0.00 55.69 54.68 1p1a s MET 4 Cb 0.02 0.17 -0.03 0.00 0.00 0.00 0.00 34.83 34.99 1p1a s MET 4 CO 0.01 -0.11 -0.13 -1.14 0.00 0.00 0.00 175.02 173.65 1p1a s GLN 5 N -3.92 2.20 0.01 3.16 0.74 -1.26 -1.72 119.66 118.88 1p1a s GLN 5 Ca 0.08 -0.93 0.00 0.00 0.05 0.00 0.00 55.36 54.56 1p1a s GLN 5 Cb 0.08 -2.30 -0.01 0.00 1.10 0.00 0.00 33.01 31.88 1p1a s GLN 5 CO -0.09 0.55 -0.02 0.08 -0.55 0.00 0.00 175.29 175.25 1p1a s VAL 6 N -1.02 0.10 -0.26 1.34 1.01 0.41 -3.61 120.40 118.37 1p1a s VAL 6 Ca 0.17 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 1p1a s VAL 6 Cb -0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1p1a s VAL 6 CO 0.08 -0.30 0.18 -0.89 0.00 0.00 0.00 175.10 174.17 1p1a s THR 7 N -0.90 5.33 -0.15 3.92 2.01 -1.26 -1.30 115.64 123.29 1p1a s THR 7 Ca -0.10 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1p1a s THR 7 Cb -0.06 -3.52 -0.00 0.00 0.01 0.00 0.00 72.50 68.93 1p1a s THR 7 CO -0.01 0.29 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.30 1p1a s LEU 8 N 1.43 2.48 0.11 4.42 1.43 0.37 -0.62 118.68 128.30 1p1a s LEU 8 Ca 0.07 -0.46 0.10 0.00 -1.03 0.00 0.00 54.13 52.81 1p1a s LEU 8 Cb -0.15 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1p1a s LEU 8 CO 0.08 0.09 -0.26 -1.59 0.23 0.00 0.00 176.35 174.90 1p1a s LYS 9 N 0.76 1.45 0.30 1.70 -2.85 -0.04 -0.91 119.74 120.15 1p1a s LYS 9 Ca -0.06 -1.27 0.06 0.00 -1.00 0.00 0.00 55.97 53.70 1p1a s LYS 9 Cb -0.15 -1.85 -0.02 0.00 -2.06 0.00 0.00 37.83 33.74 1p1a s LYS 9 CO 0.01 0.45 0.41 0.95 0.10 0.00 0.00 175.35 177.26 1p1a s THR 10 N -1.01 4.46 -2.00 3.79 -4.23 -0.13 -0.80 115.64 115.71 1p1a s THR 10 Ca 0.13 -1.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 1p1a s THR 10 Cb -0.10 -3.55 0.04 0.00 1.34 0.00 0.00 72.50 70.23 1p1a s THR 10 CO 0.05 -0.23 0.34 0.00 -0.54 0.00 0.00 174.62 174.24 1p1a n LEU 11 N -1.52 0.00 -0.50 4.79 -0.00 -1.13 -2.79 117.00 115.85 1p1a n LEU 11 Ca -0.04 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.02 1p1a n LEU 11 Cb 0.58 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 44.07 1p1a n LEU 11 CO 0.43 0.00 0.35 0.00 -0.00 0.00 0.00 177.39 178.17 1p1a n GLN 12 N -0.64 0.64 -3.43 1.47 1.13 -1.26 -5.04 117.38 110.25 1p1a n GLN 12 Ca 0.01 -1.97 -0.17 0.00 -1.94 0.00 0.00 57.00 52.93 1p1a n GLN 12 Cb 0.01 -0.92 0.09 0.00 0.11 0.00 0.00 30.24 29.53 1p1a n GLN 12 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1p1a n GLN 13 N -0.57 -6.66 -4.09 -1.09 6.02 -1.12 -5.04 117.38 104.83 1p1a n GLN 13 Ca 0.09 0.85 -0.14 0.00 -0.01 0.00 0.00 57.00 57.78 1p1a n GLN 13 Cb 0.74 -5.86 -0.12 0.00 1.02 0.00 0.00 30.24 26.02 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 -5.39 0.54 0.01 -1.09 0.74 -1.26 -4.98 119.66 108.22 1p1a s GLN 14 Ca 0.02 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.76 1p1a s GLN 14 Cb -0.01 -0.35 -0.01 0.00 1.10 0.00 0.00 33.01 33.74 1p1a s GLN 14 CO 0.73 0.07 -0.04 0.99 -0.55 0.00 0.00 175.29 176.49 1p1a s THR 15 N -1.17 0.24 0.24 -0.34 2.01 -1.26 -0.96 115.64 114.40 1p1a s THR 15 Ca -0.08 -0.42 -0.08 0.00 0.31 0.00 0.00 61.69 61.43 1p1a s THR 15 Cb -0.09 -0.27 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1p1a s THR 15 CO 0.00 -0.12 0.35 0.72 -0.69 0.00 0.00 174.62 174.89 1p1a s PHE 16 N -0.53 0.72 -0.13 4.92 -0.71 -0.09 -4.98 117.98 117.18 1p1a s PHE 16 Ca -0.04 -1.01 0.02 0.00 -1.04 0.00 0.00 56.93 54.86 1p1a s PHE 16 Cb -0.04 -0.11 0.01 0.00 -1.21 0.00 0.00 43.02 41.67 1p1a s PHE 16 CO -0.00 -0.87 -0.18 0.15 -1.34 0.00 0.00 175.22 172.98 1p1a s LYS 17 N -4.00 2.58 0.08 1.99 -0.14 -1.26 -0.47 119.74 118.52 1p1a s LYS 17 Ca 0.29 -0.69 0.06 0.00 -1.36 0.00 0.00 55.97 54.27 1p1a s LYS 17 Cb 0.02 -2.18 -0.03 0.00 -1.68 0.00 0.00 37.83 33.96 1p1a s LYS 17 CO 0.11 -0.09 -0.16 0.42 -0.76 0.00 0.00 175.35 174.88 1p1a s ILE 18 N 1.03 1.28 -0.02 2.17 -1.09 -0.42 -5.00 121.20 119.16 1p1a s ILE 18 Ca -0.04 -1.41 0.00 0.00 -2.23 0.00 0.00 60.65 56.97 1p1a s ILE 18 Cb -0.15 -1.24 0.02 0.00 -1.58 0.00 0.00 42.46 39.51 1p1a s ILE 18 CO -0.04 -0.21 0.01 1.51 -1.23 0.00 0.00 174.94 174.98 1p1a s ASP 19 N -1.86 0.20 0.23 3.58 -4.77 -1.26 -0.45 116.67 112.34 1p1a s ASP 19 Ca 0.01 -0.00 -0.06 0.00 -3.30 0.00 0.00 52.55 49.20 1p1a s ASP 19 Cb -0.09 -0.10 -0.02 0.00 -1.09 0.00 0.00 42.92 41.61 1p1a s ASP 19 CO 0.03 -0.07 0.30 0.27 0.70 0.00 0.00 175.17 176.40 1p1a s ILE 20 N 0.71 0.00 0.10 2.11 -0.00 -0.70 -4.97 121.20 118.45 1p1a s ILE 20 Ca -0.06 -1.72 -0.31 0.00 -0.00 0.00 0.00 60.65 58.56 1p1a s ILE 20 Cb -0.09 -2.37 -0.09 0.00 -0.00 0.00 0.00 42.46 39.91 1p1a s ILE 20 CO -0.02 0.00 1.62 -1.81 -0.00 0.00 0.00 174.94 174.73 1p1a s ASP 21 N -3.10 6.60 0.55 4.36 1.11 -1.26 -1.00 116.67 123.93 1p1a s ASP 21 Ca 0.31 2.52 0.33 0.00 0.18 0.00 0.00 52.55 55.89 1p1a s ASP 21 Cb 0.03 -2.57 1.33 0.00 1.07 0.00 0.00 42.92 42.78 1p1a s ASP 21 CO 0.11 -0.86 1.97 1.55 1.18 0.00 0.00 175.17 179.12 1p1a h PRO 22 N 7.83 0.00 0.00 8.23 0.13 -1.88 -2.81 132.00 143.50 1p1a h PRO 22 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1p1a h PRO 22 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1p1a h PRO 22 CO 0.92 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 179.09 1p1a n GLU 23 N -3.11 0.04 -2.28 0.86 -0.58 -1.26 -1.52 120.64 112.80 1p1a n GLU 23 Ca 0.01 0.04 -0.27 0.00 -0.42 0.00 0.00 57.16 56.51 1p1a n GLU 23 Cb 0.31 -1.55 0.03 0.00 -0.57 0.00 0.00 31.44 29.67 1p1a n GLU 23 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1p1a s GLU 24 N -3.02 2.91 0.92 3.49 0.41 -1.06 -4.70 118.70 117.65 1p1a s GLU 24 Ca 0.13 0.10 -0.12 0.00 -0.41 0.00 0.00 54.97 54.67 1p1a s GLU 24 Cb 0.18 -2.22 0.14 0.00 -1.78 0.00 0.00 34.13 30.46 1p1a s GLU 24 CO 0.54 -0.77 1.12 0.95 -0.49 0.00 0.00 175.26 176.60 1p1a s THR 25 N -3.07 2.17 0.55 3.63 -4.23 -1.26 -0.54 115.64 112.89 1p1a s THR 25 Ca 0.55 0.06 0.33 0.00 -1.18 0.00 0.00 61.69 61.45 1p1a s THR 25 Cb -0.11 -2.72 0.50 0.00 1.34 0.00 0.00 72.50 71.51 1p1a s THR 25 CO 0.47 -0.07 1.83 0.58 -0.54 0.00 0.00 174.62 176.89 1p1a h VAL 26 N -1.57 0.44 -0.50 2.29 2.07 -1.68 -0.56 116.25 116.74 1p1a h VAL 26 Ca -0.51 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.15 1p1a h VAL 26 Cb 1.32 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1p1a h VAL 26 CO 0.60 0.00 0.37 0.11 0.02 0.00 0.00 177.57 178.67 1p1a h LYS 27 N 0.00 0.00 -0.57 1.57 1.57 -1.87 -0.99 116.57 116.28 1p1a h LYS 27 Ca 0.46 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.22 1p1a h LYS 27 Cb 1.93 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.21 1p1a h LYS 27 CO -0.00 0.00 0.28 0.00 -0.57 0.00 0.00 179.45 179.15 1p1a h ALA 28 N 1.73 0.73 -0.21 3.86 0.00 -1.44 0.20 119.26 124.13 1p1a h ALA 28 Ca 0.24 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1p1a h ALA 28 Cb 0.97 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1p1a h ALA 28 CO -0.00 0.29 -0.15 -0.07 0.00 0.00 0.00 179.25 179.31 1p1a h LEU 29 N 0.77 0.50 0.00 0.00 3.38 -1.59 -3.28 115.31 115.09 1p1a h LEU 29 Ca 0.20 -0.45 -0.21 0.00 0.09 0.00 0.00 57.88 57.51 1p1a h LEU 29 Cb 0.11 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1p1a h LEU 29 CO -0.03 0.84 -1.03 0.50 0.09 0.00 0.00 178.44 178.81 1p1a h LYS 30 N 0.16 0.00 -0.31 1.13 3.11 -0.88 -3.18 116.57 116.61 1p1a h LYS 30 Ca 0.04 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.78 1p1a h LYS 30 Cb 0.67 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.90 1p1a h LYS 30 CO 0.04 0.97 -0.20 0.93 -2.81 0.00 0.00 179.45 178.37 1p1a h GLU 31 N 0.00 0.69 -0.30 1.90 5.08 -0.79 -3.38 114.58 117.78 1p1a h GLU 31 Ca -0.02 -0.32 -0.12 0.00 -1.00 0.00 0.00 59.36 57.89 1p1a h GLU 31 Cb 1.78 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 1p1a h GLU 31 CO 0.13 0.93 -0.31 1.57 -1.00 0.00 0.00 179.01 180.33 1p1a h LYS 32 N 0.45 0.64 0.00 2.33 5.09 -1.61 -3.17 116.57 120.31 1p1a h LYS 32 Ca 0.06 -0.28 -0.04 0.00 0.09 0.00 0.00 60.65 60.48 1p1a h LYS 32 Cb 0.75 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 33.06 1p1a h LYS 32 CO 0.06 0.87 -0.20 -0.84 -2.09 0.00 0.00 179.45 177.24 1p1a h ILE 33 N 0.55 0.45 -0.57 0.07 -0.00 -1.72 -2.64 117.51 113.65 1p1a h ILE 33 Ca 0.07 -1.14 0.07 0.00 -0.00 0.00 0.00 64.86 63.86 1p1a h ILE 33 Cb 0.80 1.82 -0.03 0.00 -0.00 0.00 0.00 36.82 39.40 1p1a h ILE 33 CO 0.07 0.20 0.38 -0.08 -0.00 0.00 0.00 178.15 178.71 1p1a h GLU 34 N 0.00 0.45 0.00 0.16 4.81 -1.74 -0.44 114.58 117.82 1p1a h GLU 34 Ca -0.00 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1p1a h GLU 34 Cb 0.80 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 1p1a h GLU 34 CO 0.03 0.30 -0.10 0.77 -0.73 0.00 0.00 179.01 179.28 1p1a h SER 35 N 0.47 0.00 0.00 1.04 0.02 -1.64 0.21 113.55 113.64 1p1a h SER 35 Ca 0.25 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.84 1p1a h SER 35 Cb 0.39 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 1p1a h SER 35 CO -0.07 0.10 -2.36 -0.62 -1.14 0.00 0.00 176.83 172.74 1p1a n GLU 36 N -3.34 0.75 -0.02 3.45 1.02 -0.62 -4.62 120.64 117.26 1p1a n GLU 36 Ca -0.01 0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.26 1p1a n GLU 36 Cb 0.29 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.92 0.66 0.00 3.49 4.76 -0.27 -5.11 118.16 118.77 1p1a n LYS 37 Ca -0.36 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 54.92 1p1a n LYS 37 Cb 1.07 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 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 1.34 -0.01 0.43 0.72 0.00 0.06 -4.39 105.19 103.35 1p1a n GLY 38 Ca -0.09 -1.52 0.27 0.00 0.00 0.00 0.00 46.02 44.69 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 0.27 -0.15 1.61 1.63 -1.82 -1.30 116.57 116.81 1p1a h LYS 39 Ca 0.00 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.70 1p1a h LYS 39 Cb 0.00 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 1p1a h LYS 39 CO 0.00 0.18 -0.29 0.22 -3.45 0.00 0.00 179.45 176.11 1p1a h ASP 40 N 0.28 0.28 0.00 4.20 3.58 -1.94 -3.07 116.42 119.75 1p1a h ASP 40 Ca 0.65 -0.09 -0.32 0.00 0.42 0.00 0.00 57.03 57.68 1p1a h ASP 40 Cb 1.84 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 42.76 1p1a h ASP 40 CO -0.29 0.57 -2.22 0.00 -2.88 0.00 0.00 179.24 174.42 1p1a n ALA 41 N -2.48 1.55 -3.19 -0.78 0.00 -0.79 -4.81 120.51 110.01 1p1a n ALA 41 Ca -0.01 -1.04 -0.22 0.00 0.00 0.00 0.00 53.44 52.17 1p1a n ALA 41 Cb 0.40 -0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.89 -0.18 -1.96 0.00 3.01 -0.56 -4.97 117.46 109.91 1p1a n PHE 42 Ca -0.33 -3.65 -0.42 0.00 1.01 0.00 0.00 57.45 54.05 1p1a n PHE 42 Cb 0.99 -0.37 -0.03 0.00 -0.01 0.00 0.00 39.48 40.05 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 -1.62 4.22 0.26 -1.08 0.04 -1.16 -4.46 135.00 131.20 1p1a s PRO 43 Ca 0.37 2.32 -0.02 0.00 0.04 0.00 0.00 61.00 63.71 1p1a s PRO 43 Cb 0.23 -3.28 0.50 0.00 0.04 0.00 0.00 34.50 31.99 1p1a s PRO 43 CO -0.10 -0.62 1.77 -0.24 0.04 0.00 0.00 177.00 177.85 1p1a h VAL 44 N 4.26 0.76 0.00 -0.36 3.04 -1.89 -0.29 116.25 121.77 1p1a h VAL 44 Ca -0.42 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 1p1a h VAL 44 Cb 1.20 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1p1a h VAL 44 CO 0.91 0.12 0.00 0.00 -1.01 0.00 0.00 177.57 177.59 1p1a n ALA 45 N -2.42 2.25 -2.18 3.17 0.00 -1.26 -3.62 120.51 116.46 1p1a n ALA 45 Ca 0.16 -0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.52 1p1a n ALA 45 Cb 0.40 -1.39 0.05 0.00 0.00 0.00 0.00 19.45 18.51 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 0.67 1.64 3.17 0.00 0.00 -0.17 -5.07 105.19 105.42 1p1a n GLY 46 Ca 0.13 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.59 0.82 0.03 1.61 -2.07 -0.87 -0.95 119.66 117.65 1p1a s GLN 47 Ca 0.26 -1.14 -0.00 0.00 -1.82 0.00 0.00 55.36 52.66 1p1a s GLN 47 Cb 0.28 -0.49 -0.03 0.00 -1.09 0.00 0.00 33.01 31.69 1p1a s GLN 47 CO -0.10 0.07 -0.03 0.21 -1.32 0.00 0.00 175.29 174.11 1p1a s LYS 48 N -2.79 0.41 0.08 9.60 2.20 0.12 -4.99 119.74 124.37 1p1a s LYS 48 Ca 0.05 -0.79 0.09 0.00 -0.36 0.00 0.00 55.97 54.96 1p1a s LYS 48 Cb -0.03 0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 1p1a s LYS 48 CO -0.00 -0.06 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.17 1p1a s LEU 49 N -1.87 2.24 -0.04 5.43 1.02 -1.26 -0.92 118.68 123.28 1p1a s LEU 49 Ca -0.09 -0.65 0.02 0.00 0.02 0.00 0.00 54.13 53.43 1p1a s LEU 49 Cb -0.05 -1.14 0.01 0.00 0.02 0.00 0.00 46.19 45.03 1p1a s LEU 49 CO -0.03 0.18 -0.08 -0.63 0.02 0.00 0.00 176.35 175.81 1p1a s ILE 50 N -0.95 0.78 -0.87 -0.59 -1.09 -0.44 -3.78 121.20 114.26 1p1a s ILE 50 Ca 0.11 -0.30 -0.10 0.00 -2.23 0.00 0.00 60.65 58.12 1p1a s ILE 50 Cb -0.10 -0.73 0.23 0.00 -1.58 0.00 0.00 42.46 40.27 1p1a s ILE 50 CO 0.04 0.27 0.80 -0.47 -1.23 0.00 0.00 174.94 174.35 1p1a s TYR 51 N 0.57 3.84 -1.06 3.97 5.04 -0.67 -0.45 117.35 128.59 1p1a s TYR 51 Ca -0.09 -2.33 0.00 0.00 -2.44 0.00 0.00 57.07 52.20 1p1a s TYR 51 Cb -0.13 -3.70 0.00 0.00 0.35 0.00 0.00 41.96 38.49 1p1a s TYR 51 CO 0.01 -0.94 0.00 0.00 -1.34 0.00 0.00 175.55 173.28 1p1a n ALA 52 N 3.48 -0.59 0.00 3.97 0.00 -1.25 -1.48 120.51 124.65 1p1a n ALA 52 Ca 0.16 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1p1a n ALA 52 Cb 0.43 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.59 1.08 3.89 0.00 0.00 -1.26 -5.14 105.19 103.17 1p1a n GLY 53 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 3.46 -0.84 1.61 1.02 -0.55 -5.06 119.74 119.39 1p1a s LYS 54 Ca 0.00 -0.21 -0.14 0.00 0.02 0.00 0.00 55.97 55.64 1p1a s LYS 54 Cb 0.00 -3.14 0.22 0.00 -0.52 0.00 0.00 37.83 34.39 1p1a s LYS 54 CO 0.00 0.72 0.79 0.42 -0.92 0.00 0.00 175.35 176.36 1p1a s ILE 55 N -1.19 5.58 0.47 2.17 1.01 -1.26 -1.66 121.20 126.32 1p1a s ILE 55 Ca 0.22 -2.44 -0.24 0.00 0.00 0.00 0.00 60.65 58.18 1p1a s ILE 55 Cb -0.12 -4.48 -0.08 0.00 0.01 0.00 0.00 42.46 37.78 1p1a s ILE 55 CO 0.12 -1.05 1.29 0.18 0.00 0.00 0.00 174.94 175.48 1p1a n LEU 56 N 4.07 4.51 -3.98 2.97 4.32 -1.25 -5.03 117.00 122.61 1p1a n LEU 56 Ca 0.14 1.06 -0.24 0.00 -0.02 0.00 0.00 56.01 56.95 1p1a n LEU 56 Cb 0.47 -1.53 -0.17 0.00 -1.62 0.00 0.00 43.42 40.58 1p1a n LEU 56 CO 0.34 -0.64 -0.45 0.21 -1.22 0.00 0.00 177.39 175.62 1p1a s ASN 57 N -0.66 1.68 0.11 -1.43 2.47 -1.26 -4.83 114.94 111.02 1p1a s ASN 57 Ca 0.64 -0.27 0.11 0.00 0.42 0.00 0.00 52.86 53.77 1p1a s ASN 57 Cb -0.47 -0.76 0.53 0.00 -1.45 0.00 0.00 41.25 39.10 1p1a s ASN 57 CO 0.55 -0.01 1.34 -0.90 -3.72 0.00 0.00 177.10 174.36 1p1a n ASP 58 N 4.05 0.22 -0.40 -4.21 5.75 -1.26 -2.09 116.55 118.60 1p1a n ASP 58 Ca -0.21 0.58 0.04 0.00 -0.01 0.00 0.00 54.79 55.18 1p1a n ASP 58 Cb 0.51 -0.62 0.10 0.00 -1.03 0.00 0.00 41.12 40.08 1p1a n ASP 58 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1p1a n ASP 59 N -1.77 2.59 -4.06 -1.12 2.03 -1.26 -4.57 116.55 108.39 1p1a n ASP 59 Ca 0.01 -2.02 -0.22 0.00 0.52 0.00 0.00 54.79 53.07 1p1a n ASP 59 Cb 0.07 -0.15 -0.16 0.00 -0.72 0.00 0.00 41.12 40.16 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 -1.04 1.03 0.41 5.18 2.01 -0.89 -5.05 115.64 117.29 1p1a s THR 60 Ca 0.15 -0.51 -0.25 0.00 0.31 0.00 0.00 61.69 61.38 1p1a s THR 60 Cb 0.08 -0.89 -0.08 0.00 0.01 0.00 0.00 72.50 71.61 1p1a s THR 60 CO 0.10 0.31 1.25 0.00 -0.69 0.00 0.00 174.62 175.58 1p1a s ALA 61 N 0.04 3.18 0.28 7.40 0.00 -1.26 -3.23 121.76 128.17 1p1a s ALA 61 Ca -0.01 1.12 -0.01 0.00 0.00 0.00 0.00 51.96 53.06 1p1a s ALA 61 Cb -0.09 -3.45 0.47 0.00 0.00 0.00 0.00 23.12 20.05 1p1a s ALA 61 CO 0.01 -0.74 1.90 -0.07 0.00 0.00 0.00 175.76 176.86 1p1a h LEU 62 N 2.56 0.97 -2.28 0.00 3.38 -0.78 -1.74 115.31 117.43 1p1a h LEU 62 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1p1a h LEU 62 Cb 1.24 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1p1a h LEU 62 CO 0.62 0.63 0.00 0.07 0.09 0.00 0.00 178.44 179.85 1p1a h LYS 63 N 1.11 0.00 0.00 1.13 -0.00 -1.55 -2.53 116.57 114.73 1p1a h LYS 63 Ca 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 61.03 1p1a h LYS 63 Cb 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.39 1p1a h LYS 63 CO -0.15 0.00 -0.12 0.93 -0.00 0.00 0.00 179.45 180.11 1p1a h GLU 64 N 0.00 0.00 -0.00 0.07 4.39 -1.62 -1.96 114.58 115.46 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 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1p1a h GLU 64 CO 0.00 0.12 -0.30 0.66 -1.16 0.00 0.00 179.01 178.33 1p1a n TYR 65 N -3.28 0.00 -4.14 4.33 4.01 -0.95 -4.99 117.16 112.13 1p1a n TYR 65 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 1p1a n TYR 65 Cb 0.35 -0.21 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 1p1a n TYR 65 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1p1a n LYS 66 N -1.07 -1.16 -1.85 -0.72 2.85 -0.74 -4.95 118.16 110.53 1p1a n LYS 66 Ca 0.10 0.16 -0.37 0.00 -1.05 0.00 0.00 58.31 57.16 1p1a n LYS 66 Cb 0.33 -3.47 0.05 0.00 -0.65 0.00 0.00 35.03 31.29 1p1a n LYS 66 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1p1a s ILE 67 N -4.00 2.26 -0.02 0.58 1.01 -1.26 -5.06 121.20 114.70 1p1a s ILE 67 Ca 0.18 0.16 0.02 0.00 0.00 0.00 0.00 60.65 61.01 1p1a s ILE 67 Cb -0.09 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1p1a s ILE 67 CO 0.96 -0.03 -0.09 -0.62 0.00 0.00 0.00 174.94 175.16 1p1a s ASP 68 N -1.46 1.13 0.00 3.58 2.15 -1.26 -5.06 116.67 115.75 1p1a s ASP 68 Ca 0.81 -0.17 0.12 0.00 0.43 0.00 0.00 52.55 53.73 1p1a s ASP 68 Cb -0.35 -0.26 0.52 0.00 -0.30 0.00 0.00 42.92 42.53 1p1a s ASP 68 CO 0.37 0.07 1.38 -1.84 -0.17 0.00 0.00 175.17 174.98 1p1a n GLU 69 N 3.20 0.01 0.00 4.34 0.28 -1.24 -2.24 120.64 125.00 1p1a n GLU 69 Ca -0.17 0.28 0.07 0.00 -0.16 0.00 0.00 57.16 57.19 1p1a n GLU 69 Cb 0.55 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.86 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 -1.48 1.87 -2.79 3.44 4.76 -1.26 -4.68 118.16 118.02 1p1a n LYS 70 Ca 0.03 -0.24 -0.18 0.00 -2.87 0.00 0.00 58.31 55.05 1p1a n LYS 70 Cb 0.14 -1.24 0.06 0.00 -1.84 0.00 0.00 35.03 32.15 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 -0.99 1.91 -4.17 4.39 3.02 -0.95 -5.10 115.26 113.37 1p1a n ASN 71 Ca 0.04 -2.39 -0.11 0.00 -0.03 0.00 0.00 54.58 52.09 1p1a n ASN 71 Cb 0.27 -0.39 -0.10 0.00 -0.61 0.00 0.00 39.78 38.95 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 -2.28 0.90 -0.00 3.10 -0.12 -1.26 -3.99 117.98 114.32 1p1a s PHE 72 Ca 0.56 -0.94 0.07 0.00 -0.05 0.00 0.00 56.93 56.56 1p1a s PHE 72 Cb -0.04 -0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 41.80 1p1a s PHE 72 CO 0.35 -0.18 -0.20 0.08 -0.05 0.00 0.00 175.22 175.22 1p1a s VAL 73 N -3.66 2.59 -0.22 -2.49 1.01 0.21 -3.84 120.40 114.00 1p1a s VAL 73 Ca 0.13 -1.06 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 1p1a s VAL 73 Cb 0.06 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1p1a s VAL 73 CO -0.04 0.48 0.10 -0.69 0.00 0.00 0.00 175.10 174.95 1p1a s VAL 74 N -0.77 4.85 -0.20 2.92 1.01 0.41 -0.86 120.40 127.75 1p1a s VAL 74 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 1p1a s VAL 74 Cb -0.10 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1p1a s VAL 74 CO 0.02 0.38 0.14 0.68 0.00 0.00 0.00 175.10 176.33 1p1a s VAL 75 N 0.97 5.40 0.07 2.92 -7.23 0.02 -1.33 120.40 121.22 1p1a s VAL 75 Ca 0.05 0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 1p1a s VAL 75 Cb -0.14 -3.48 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 1p1a s VAL 75 CO 0.03 0.43 -0.05 0.00 -0.31 0.00 0.00 175.10 175.20 1p1a s MET 76 N 0.43 0.68 0.01 4.82 0.23 -0.10 -2.84 119.30 122.54 1p1a s MET 76 Ca 0.09 -1.22 0.01 0.00 -1.03 0.00 0.00 55.69 53.53 1p1a s MET 76 Cb -0.11 0.02 -0.01 0.00 -1.53 0.00 0.00 34.83 33.20 1p1a s MET 76 CO -0.01 -0.06 -0.03 0.08 -2.03 0.00 0.00 175.02 172.97 1p1a s VAL 77 N -3.60 0.18 -0.03 5.16 1.01 -1.26 -0.70 120.40 121.17 1p1a s VAL 77 Ca 0.07 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1p1a s VAL 77 Cb 0.05 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.23 1p1a s VAL 77 CO -0.07 -0.20 0.05 0.42 0.00 0.00 0.00 175.10 175.30 1p1a s THR 78 N -0.70 -0.09 0.06 3.92 -4.23 -0.12 -5.00 115.64 109.48 1p1a s THR 78 Ca -0.06 0.30 0.02 0.00 -1.18 0.00 0.00 61.69 60.77 1p1a s THR 78 Cb -0.05 -0.13 -0.03 0.00 1.34 0.00 0.00 72.50 73.63 1p1a s THR 78 CO -0.00 0.13 -0.07 -0.54 -0.54 0.00 0.00 174.62 173.60 1p1a s LYS 79 N 1.55 0.60 0.39 3.99 1.02 -1.26 -4.59 119.74 121.44 1p1a s LYS 79 Ca -0.03 -0.94 -0.26 0.00 0.02 0.00 0.00 55.97 54.76 1p1a s LYS 79 Cb -0.12 -0.20 -0.09 0.00 -0.52 0.00 0.00 37.83 36.90 1p1a s LYS 79 CO -0.03 0.01 1.23 -1.25 -0.92 0.00 0.00 175.35 174.39 1p1a s PRO 80 N -2.37 4.07 0.36 -1.68 0.04 -1.26 -4.96 135.00 129.20 1p1a s PRO 80 Ca -0.03 1.99 0.12 0.00 0.04 0.00 0.00 61.00 63.12 1p1a s PRO 80 Cb -0.04 -2.76 0.67 0.00 0.04 0.00 0.00 34.50 32.40 1p1a s PRO 80 CO -0.02 -0.35 1.80 -0.22 0.04 0.00 0.00 177.00 178.25 1p1a h LYS 81 N 2.76 0.01 -5.92 4.56 3.64 -2.03 -3.42 116.57 116.17 1p1a h LYS 81 Ca -0.49 -0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.40 1p1a h LYS 81 Cb 1.24 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1p1a h LYS 81 CO 0.63 0.41 1.39 0.00 -2.27 0.00 0.00 179.45 179.61 1p1a s ALA 82 N -4.12 2.09 0.00 5.00 0.00 -1.26 -4.58 121.76 118.89 1p1a s ALA 82 Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1p1a s ALA 82 Cb 0.14 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.95 1p1a s ALA 82 CO 0.73 -3.99 0.00 1.55 0.00 0.00 0.00 175.76 174.05 1p1a n VAL 83 N 7.33 0.00 -4.17 0.00 3.14 -1.26 -5.12 118.33 118.25 1p1a n VAL 83 Ca 0.23 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.43 1p1a n VAL 83 Cb 0.52 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.19 1p1a n VAL 83 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1p1a s SER 84 N -1.62 1.66 0.00 6.55 1.04 -1.26 -5.28 113.70 114.78 1p1a s SER 84 Ca 0.00 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1p1a s SER 84 Cb 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1p1a s SER 84 CO 0.00 -0.09 0.00 0.41 0.98 0.00 0.00 173.24 174.54