#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 0.65 -4.64 1.61 7.64 -1.26 -5.10 113.62 112.53 1p1a n SER 2 Ca 0.00 -1.27 -0.29 0.00 1.01 0.00 0.00 58.87 58.32 1p1a n SER 2 Cb 0.00 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.27 1.91 -0.03 1.43 0.09 -1.26 -4.50 115.29 112.67 1p1a s HIS 3 Ca 0.00 1.20 0.05 0.00 -0.00 0.00 0.00 55.06 56.31 1p1a s HIS 3 Cb 0.00 -3.19 -0.01 0.00 -0.00 0.00 0.00 32.58 29.38 1p1a s HIS 3 CO 0.00 -3.01 -0.19 1.41 -0.00 0.00 0.00 174.74 172.95 1p1a s MET 4 N -4.78 1.73 -0.12 1.40 -2.45 0.04 -4.87 119.30 110.24 1p1a s MET 4 Ca 0.66 -0.67 -0.07 0.00 -1.25 0.00 0.00 55.69 54.35 1p1a s MET 4 Cb -0.21 -1.57 -0.04 0.00 1.25 0.00 0.00 34.83 34.26 1p1a s MET 4 CO 0.59 0.34 0.15 -1.14 1.05 0.00 0.00 175.02 176.01 1p1a s GLN 5 N -0.22 3.48 0.02 4.11 0.74 -1.26 -2.41 119.66 124.13 1p1a s GLN 5 Ca 0.02 -0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.32 1p1a s GLN 5 Cb -0.10 -3.20 -0.02 0.00 1.10 0.00 0.00 33.01 30.80 1p1a s GLN 5 CO 0.01 0.76 -0.05 0.08 -0.55 0.00 0.00 175.29 175.54 1p1a s VAL 6 N -0.98 0.30 -0.21 1.34 1.01 0.45 -4.19 120.40 118.12 1p1a s VAL 6 Ca 0.15 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1p1a s VAL 6 Cb -0.12 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1p1a s VAL 6 CO 0.04 -0.34 0.02 -0.89 0.00 0.00 0.00 175.10 173.93 1p1a s THR 7 N -1.16 4.09 -0.16 3.92 2.01 -1.25 -1.36 115.64 121.73 1p1a s THR 7 Ca -0.10 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.64 1p1a s THR 7 Cb -0.08 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1p1a s THR 7 CO -0.00 0.41 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.40 1p1a s LEU 8 N 1.08 2.34 0.35 4.42 1.43 0.08 -1.09 118.68 127.30 1p1a s LEU 8 Ca 0.03 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 52.68 1p1a s LEU 8 Cb -0.14 -1.52 -0.06 0.00 0.03 0.00 0.00 46.19 44.49 1p1a s LEU 8 CO 0.02 0.06 -0.03 -1.59 0.23 0.00 0.00 176.35 175.05 1p1a s LYS 9 N 0.93 1.96 0.08 1.70 -2.85 -0.12 -1.11 119.74 120.33 1p1a s LYS 9 Ca -0.04 -1.88 -0.01 0.00 -1.00 0.00 0.00 55.97 53.05 1p1a s LYS 9 Cb -0.15 -1.80 -0.04 0.00 -2.06 0.00 0.00 37.83 33.78 1p1a s LYS 9 CO -0.03 0.11 0.00 0.95 0.10 0.00 0.00 175.35 176.48 1p1a s THR 10 N -2.58 0.18 0.67 3.79 -4.23 -0.74 -0.68 115.64 112.05 1p1a s THR 10 Ca 0.34 -1.85 0.45 0.00 -1.18 0.00 0.00 61.69 59.45 1p1a s THR 10 Cb 0.02 -1.73 0.45 0.00 1.34 0.00 0.00 72.50 72.59 1p1a s THR 10 CO 0.18 -0.79 2.38 -0.07 -0.54 0.00 0.00 174.62 175.78 1p1a h LEU 11 N 3.04 0.00 0.00 4.79 4.07 -1.90 -2.11 115.31 123.19 1p1a h LEU 11 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1p1a h LEU 11 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1p1a h LEU 11 CO 0.63 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.99 1p1a n GLN 12 N -3.08 0.98 -3.59 1.13 1.13 -1.26 -4.91 117.38 107.78 1p1a n GLN 12 Ca -0.03 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.83 1p1a n GLN 12 Cb 0.07 -1.07 0.06 0.00 0.11 0.00 0.00 30.24 29.40 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 -5.72 -3.89 -1.09 3.00 -0.79 -5.02 117.38 103.29 1p1a n GLN 13 Ca 0.03 0.72 -0.11 0.00 -0.01 0.00 0.00 57.00 57.63 1p1a n GLN 13 Cb 0.02 -5.49 -0.13 0.00 0.00 0.00 0.00 30.24 24.63 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 -5.75 0.07 0.01 -1.09 0.74 -1.26 -5.00 119.66 107.39 1p1a s GLN 14 Ca 0.03 -0.13 0.02 0.00 0.05 0.00 0.00 55.36 55.33 1p1a s GLN 14 Cb -0.02 0.03 -0.01 0.00 1.10 0.00 0.00 33.01 34.11 1p1a s GLN 14 CO 0.78 -0.01 -0.05 0.99 -0.55 0.00 0.00 175.29 176.44 1p1a s THR 15 N -0.32 0.40 0.23 -0.34 2.01 -1.26 -1.79 115.64 114.57 1p1a s THR 15 Ca -0.04 -0.45 -0.08 0.00 0.31 0.00 0.00 61.69 61.43 1p1a s THR 15 Cb -0.02 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 1p1a s THR 15 CO -0.00 -0.05 0.34 0.72 -0.69 0.00 0.00 174.62 174.94 1p1a s PHE 16 N -0.49 0.69 -0.15 4.92 -0.71 -0.26 -4.98 117.98 117.00 1p1a s PHE 16 Ca -0.02 -0.99 0.01 0.00 -1.04 0.00 0.00 56.93 54.89 1p1a s PHE 16 Cb -0.04 -0.11 0.02 0.00 -1.21 0.00 0.00 43.02 41.68 1p1a s PHE 16 CO -0.00 -0.86 -0.18 0.15 -1.34 0.00 0.00 175.22 172.99 1p1a s LYS 17 N -4.05 2.66 0.06 1.99 -0.14 -1.26 -0.74 119.74 118.26 1p1a s LYS 17 Ca 0.29 -0.71 0.06 0.00 -1.36 0.00 0.00 55.97 54.25 1p1a s LYS 17 Cb 0.02 -2.29 -0.03 0.00 -1.68 0.00 0.00 37.83 33.86 1p1a s LYS 17 CO 0.11 -0.15 -0.16 0.42 -0.76 0.00 0.00 175.35 174.81 1p1a s ILE 18 N 1.19 1.24 -0.03 2.17 -1.09 -0.47 -4.99 121.20 119.23 1p1a s ILE 18 Ca 0.00 -1.18 0.00 0.00 -2.23 0.00 0.00 60.65 57.25 1p1a s ILE 18 Cb -0.14 -1.14 0.03 0.00 -1.58 0.00 0.00 42.46 39.63 1p1a s ILE 18 CO -0.08 -0.05 -0.00 1.51 -1.23 0.00 0.00 174.94 175.09 1p1a s ASP 19 N -1.42 0.42 0.22 3.58 -4.77 -1.26 -0.41 116.67 113.03 1p1a s ASP 19 Ca 0.02 -0.03 -0.06 0.00 -3.30 0.00 0.00 52.55 49.18 1p1a s ASP 19 Cb -0.09 -0.22 -0.02 0.00 -1.09 0.00 0.00 42.92 41.49 1p1a s ASP 19 CO 0.02 -0.10 0.29 0.27 0.70 0.00 0.00 175.17 176.35 1p1a s ILE 20 N 1.00 0.00 0.11 2.11 -0.00 -1.01 -4.93 121.20 118.48 1p1a s ILE 20 Ca -0.10 -1.74 -0.31 0.00 -0.00 0.00 0.00 60.65 58.50 1p1a s ILE 20 Cb -0.14 -2.37 -0.10 0.00 -0.00 0.00 0.00 42.46 39.86 1p1a s ILE 20 CO -0.02 0.00 1.74 -1.81 -0.00 0.00 0.00 174.94 174.85 1p1a s ASP 21 N -3.10 6.50 0.54 4.36 1.01 -1.26 -0.78 116.67 123.94 1p1a s ASP 21 Ca 0.32 2.65 0.31 0.00 0.71 0.00 0.00 52.55 56.54 1p1a s ASP 21 Cb 0.04 -2.57 1.47 0.00 1.01 0.00 0.00 42.92 42.87 1p1a s ASP 21 CO 0.11 -0.94 2.04 1.55 0.21 0.00 0.00 175.17 178.14 1p1a h PRO 22 N 8.27 0.00 -0.00 8.23 0.13 -1.88 -2.18 132.00 144.56 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 0.94 0.08 -0.04 -0.85 -0.23 0.00 0.00 178.00 177.90 1p1a n GLU 23 N -3.33 0.52 -3.61 0.86 0.28 -1.26 -1.27 120.64 112.84 1p1a n GLU 23 Ca -0.01 -0.07 -0.21 0.00 -0.16 0.00 0.00 57.16 56.71 1p1a n GLU 23 Cb 0.27 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.63 1p1a n GLU 23 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1p1a s GLU 24 N -2.53 3.33 0.73 3.44 2.56 -0.82 -4.80 118.70 120.61 1p1a s GLU 24 Ca 0.29 -0.69 -0.10 0.00 0.00 0.00 0.00 54.97 54.47 1p1a s GLU 24 Cb 0.20 -2.79 0.05 0.00 2.00 0.00 0.00 34.13 33.59 1p1a s GLU 24 CO 0.46 0.20 1.09 0.95 -0.56 0.00 0.00 175.26 177.40 1p1a s THR 25 N -2.16 2.73 0.60 -1.70 -4.23 -1.26 -1.35 115.64 108.25 1p1a s THR 25 Ca 0.39 0.10 0.29 0.00 -1.18 0.00 0.00 61.69 61.29 1p1a s THR 25 Cb -0.09 -3.21 0.37 0.00 1.34 0.00 0.00 72.50 70.91 1p1a s THR 25 CO 0.32 -0.25 2.00 0.58 -0.54 0.00 0.00 174.62 176.73 1p1a h VAL 26 N -0.73 0.39 -0.76 2.29 2.07 -1.62 -1.63 116.25 116.25 1p1a h VAL 26 Ca -0.45 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.24 1p1a h VAL 26 Cb 1.29 0.73 -0.11 0.00 -1.52 0.00 0.00 31.29 31.68 1p1a h VAL 26 CO 0.64 0.00 0.22 0.11 0.02 0.00 0.00 177.57 178.55 1p1a h LYS 27 N 0.00 0.29 -0.56 1.57 1.57 -1.84 0.96 116.57 118.56 1p1a h LYS 27 Ca 0.14 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1p1a h LYS 27 Cb 0.80 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1p1a h LYS 27 CO -0.00 0.19 0.18 0.00 -0.57 0.00 0.00 179.45 179.25 1p1a h ALA 28 N 1.63 0.73 -0.21 3.86 0.00 -1.66 -0.15 119.26 123.45 1p1a h ALA 28 Ca 0.44 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1p1a h ALA 28 Cb 0.76 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1p1a h ALA 28 CO -0.51 0.39 -0.22 1.25 0.00 0.00 0.00 179.25 180.15 1p1a h LEU 29 N 0.78 0.56 0.04 0.00 7.12 -1.57 -3.12 115.31 119.13 1p1a h LEU 29 Ca 0.18 -0.48 -0.24 0.00 0.13 0.00 0.00 57.88 57.47 1p1a h LEU 29 Cb 0.27 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.21 1p1a h LEU 29 CO -0.01 0.93 -1.18 0.07 -0.13 0.00 0.00 178.44 178.13 1p1a h LYS 30 N 0.21 0.08 -0.22 1.25 5.09 -0.74 -3.29 116.57 118.94 1p1a h LYS 30 Ca 0.03 -0.13 -0.19 0.00 0.09 0.00 0.00 60.65 60.45 1p1a h LYS 30 Cb 0.78 0.05 0.00 0.00 0.10 0.00 0.00 32.23 33.16 1p1a h LYS 30 CO 0.06 1.00 -0.62 0.93 -2.09 0.00 0.00 179.45 178.73 1p1a h GLU 31 N 0.02 0.75 -0.31 0.07 5.08 -1.17 -3.34 114.58 115.69 1p1a h GLU 31 Ca -0.09 -0.51 -0.07 0.00 -1.00 0.00 0.00 59.36 57.69 1p1a h GLU 31 Cb 1.86 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.17 1p1a h GLU 31 CO 0.14 1.14 -0.09 1.57 -1.00 0.00 0.00 179.01 180.77 1p1a h LYS 32 N 0.56 0.51 0.00 2.33 5.09 -1.61 -2.93 116.57 120.51 1p1a h LYS 32 Ca -0.01 -0.14 -0.06 0.00 0.09 0.00 0.00 60.65 60.53 1p1a h LYS 32 Cb 1.21 -0.06 -0.01 0.00 0.10 0.00 0.00 32.23 33.47 1p1a h LYS 32 CO 0.13 0.61 -0.30 -0.84 -2.09 0.00 0.00 179.45 176.95 1p1a h ILE 33 N 0.48 0.69 -0.28 0.07 -0.00 -1.67 -2.61 117.51 114.18 1p1a h ILE 33 Ca 0.09 -1.38 -0.03 0.00 -0.00 0.00 0.00 64.86 63.55 1p1a h ILE 33 Cb 0.46 1.90 -0.02 0.00 -0.00 0.00 0.00 36.82 39.16 1p1a h ILE 33 CO 0.02 0.30 0.05 -0.08 -0.00 0.00 0.00 178.15 178.44 1p1a h GLU 34 N 0.00 0.41 0.00 0.16 4.81 -1.64 -0.22 114.58 118.10 1p1a h GLU 34 Ca -0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1p1a h GLU 34 Cb 0.88 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1p1a h GLU 34 CO 0.04 0.40 -0.04 0.77 -0.73 0.00 0.00 179.01 179.45 1p1a h SER 35 N 0.40 0.00 0.00 1.04 0.02 -1.55 0.79 113.55 114.25 1p1a h SER 35 Ca 0.10 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.67 1p1a h SER 35 Cb 0.19 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 1p1a h SER 35 CO -0.00 0.04 -2.41 -0.62 -1.14 0.00 0.00 176.83 172.70 1p1a n GLU 36 N -3.24 0.68 -0.03 3.45 1.02 -0.79 -4.67 120.64 117.06 1p1a n GLU 36 Ca -0.01 0.10 0.05 0.00 -0.02 0.00 0.00 57.16 57.28 1p1a n GLU 36 Cb 0.23 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 29.98 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 -3.08 0.67 0.00 3.49 4.76 -0.16 -5.12 118.16 118.72 1p1a n LYS 37 Ca -0.41 -0.14 0.00 0.00 -2.87 0.00 0.00 58.31 54.90 1p1a n LYS 37 Cb 1.03 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 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 1.39 -1.03 0.41 0.72 0.00 0.27 -4.20 105.19 102.75 1p1a n GLY 38 Ca -0.12 -1.53 0.21 0.00 0.00 0.00 0.00 46.02 44.58 1p1a n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p1a h LYS 39 N 0.00 0.36 0.00 1.61 6.56 -1.82 -0.04 116.57 123.24 1p1a h LYS 39 Ca 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1p1a h LYS 39 Cb 0.00 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.58 1p1a h LYS 39 CO 0.00 0.24 0.06 0.22 -2.06 0.00 0.00 179.45 177.91 1p1a h ASP 40 N 0.37 0.00 0.00 0.86 3.58 -1.95 -3.26 116.42 116.02 1p1a h ASP 40 Ca 0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.94 1p1a h ASP 40 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1p1a h ASP 40 CO -0.18 0.00 -0.42 0.00 -2.88 0.00 0.00 179.24 175.76 1p1a n ALA 41 N -1.86 1.82 -3.19 -0.78 0.00 -0.61 -4.99 120.51 110.90 1p1a n ALA 41 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 1p1a n ALA 41 Cb 0.10 0.18 -0.06 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.67 -0.22 -2.06 0.00 3.01 -0.13 -4.95 117.46 111.44 1p1a n PHE 42 Ca 0.00 -3.63 -0.42 0.00 1.01 0.00 0.00 57.45 54.41 1p1a n PHE 42 Cb 0.21 -0.36 -0.03 0.00 -0.01 0.00 0.00 39.48 39.29 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 -1.55 4.28 0.49 -1.08 0.04 -1.23 -4.47 135.00 131.49 1p1a s PRO 43 Ca 0.36 2.22 0.22 0.00 0.04 0.00 0.00 61.00 63.85 1p1a s PRO 43 Cb 0.22 -3.18 1.28 0.00 0.04 0.00 0.00 34.50 32.86 1p1a s PRO 43 CO -0.10 -0.47 1.97 0.28 0.04 0.00 0.00 177.00 178.72 1p1a h VAL 44 N 3.95 0.75 0.00 -0.36 2.07 -1.93 0.54 116.25 121.28 1p1a h VAL 44 Ca -0.43 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1p1a h VAL 44 Cb 1.21 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1p1a h VAL 44 CO 0.85 0.03 0.00 0.00 0.02 0.00 0.00 177.57 178.47 1p1a n ALA 45 N -2.60 1.66 -0.18 1.67 0.00 -1.26 -4.22 120.51 115.59 1p1a n ALA 45 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1p1a n ALA 45 Cb 0.59 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.00 0.87 3.80 0.00 0.00 -0.36 -5.01 105.19 104.48 1p1a n GLY 46 Ca 0.03 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 3.16 0.03 1.61 -2.07 0.04 -1.67 119.66 120.76 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 -2.01 -0.03 0.00 -1.09 0.00 0.00 33.01 29.88 1p1a s GLN 47 CO 0.00 -0.94 -0.03 0.21 -1.32 0.00 0.00 175.29 173.22 1p1a s LYS 48 N -4.20 0.43 -0.01 9.60 2.20 0.42 -4.95 119.74 123.22 1p1a s LYS 48 Ca 0.63 -0.85 -0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1p1a s LYS 48 Cb -0.17 0.15 0.01 0.00 -1.51 0.00 0.00 37.83 36.31 1p1a s LYS 48 CO 0.40 -0.08 0.02 -1.17 -0.36 0.00 0.00 175.35 174.17 1p1a s LEU 49 N -2.03 1.70 -0.00 5.43 2.96 -1.26 -0.74 118.68 124.73 1p1a s LEU 49 Ca -0.07 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1p1a s LEU 49 Cb -0.03 0.04 -0.00 0.00 0.50 0.00 0.00 46.19 46.70 1p1a s LEU 49 CO -0.05 -0.04 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.29 1p1a s ILE 50 N 0.29 0.25 -0.73 6.68 -1.09 -0.03 -3.24 121.20 123.32 1p1a s ILE 50 Ca -0.02 -0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.28 1p1a s ILE 50 Cb -0.03 -0.22 0.18 0.00 -1.58 0.00 0.00 42.46 40.80 1p1a s ILE 50 CO -0.01 0.08 0.55 -0.47 -1.23 0.00 0.00 174.94 173.86 1p1a s TYR 51 N 0.01 3.60 -1.35 3.97 5.04 -0.76 -0.50 117.35 127.35 1p1a s TYR 51 Ca 0.00 -3.06 0.00 0.00 -2.44 0.00 0.00 57.07 51.57 1p1a s TYR 51 Cb -0.02 -3.03 0.00 0.00 0.35 0.00 0.00 41.96 39.26 1p1a s TYR 51 CO -0.00 -0.71 0.00 0.00 -1.34 0.00 0.00 175.55 173.50 1p1a n ALA 52 N 2.60 -0.63 0.00 3.97 0.00 -1.26 -2.52 120.51 122.68 1p1a n ALA 52 Ca 0.16 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1p1a n ALA 52 Cb 0.36 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.75 0.85 3.86 0.00 0.00 -1.26 -5.13 105.19 102.75 1p1a n GLY 53 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 3.54 -0.65 1.61 1.02 -1.05 -5.06 119.74 119.16 1p1a s LYS 54 Ca 0.00 -0.12 -0.15 0.00 0.02 0.00 0.00 55.97 55.72 1p1a s LYS 54 Cb 0.00 -3.22 0.16 0.00 -0.52 0.00 0.00 37.83 34.25 1p1a s LYS 54 CO 0.00 0.72 0.61 0.42 -0.92 0.00 0.00 175.35 176.18 1p1a s ILE 55 N -0.88 5.34 0.40 2.17 1.01 -1.26 -1.83 121.20 126.15 1p1a s ILE 55 Ca 0.15 -1.83 -0.26 0.00 0.00 0.00 0.00 60.65 58.70 1p1a s ILE 55 Cb -0.12 -4.39 -0.09 0.00 0.01 0.00 0.00 42.46 37.87 1p1a s ILE 55 CO 0.04 -0.94 1.27 -0.76 0.00 0.00 0.00 174.94 174.55 1p1a s LEU 56 N 1.13 4.23 -0.05 2.97 1.02 -1.20 -5.03 118.68 121.75 1p1a s LEU 56 Ca 0.09 2.58 0.02 0.00 0.02 0.00 0.00 54.13 56.85 1p1a s LEU 56 Cb -0.23 -3.91 0.01 0.00 0.02 0.00 0.00 46.19 42.09 1p1a s LEU 56 CO -0.01 -0.78 -0.11 0.21 0.02 0.00 0.00 176.35 175.68 1p1a s ASN 57 N -0.81 1.53 0.04 2.29 2.47 -1.26 -4.81 114.94 114.39 1p1a s ASN 57 Ca 0.56 -0.25 0.06 0.00 0.42 0.00 0.00 52.86 53.66 1p1a s ASN 57 Cb -0.36 -0.59 0.29 0.00 -1.45 0.00 0.00 41.25 39.14 1p1a s ASN 57 CO 0.47 0.05 1.19 0.47 -3.72 0.00 0.00 177.10 175.56 1p1a n ASP 58 N 3.59 0.08 -0.05 -4.21 8.00 -1.26 -2.31 116.55 120.39 1p1a n ASP 58 Ca -0.21 0.53 0.02 0.00 0.71 0.00 0.00 54.79 55.84 1p1a n ASP 58 Cb 0.52 -0.55 0.03 0.00 -0.02 0.00 0.00 41.12 41.11 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 -1.61 2.12 -4.03 -2.24 2.03 -1.26 -4.29 116.55 107.28 1p1a n ASP 59 Ca 0.01 -2.17 -0.20 0.00 0.52 0.00 0.00 54.79 52.95 1p1a n ASP 59 Cb 0.05 -0.08 -0.15 0.00 -0.72 0.00 0.00 41.12 40.22 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 -1.30 0.81 0.46 5.18 2.01 -0.98 -5.03 115.64 116.79 1p1a s THR 60 Ca 0.06 -0.42 -0.22 0.00 0.31 0.00 0.00 61.69 61.43 1p1a s THR 60 Cb 0.05 -0.69 -0.08 0.00 0.01 0.00 0.00 72.50 71.79 1p1a s THR 60 CO 0.01 0.24 1.06 0.00 -0.69 0.00 0.00 174.62 175.24 1p1a s ALA 61 N -0.09 2.94 0.32 7.40 0.00 -1.26 -3.19 121.76 127.88 1p1a s ALA 61 Ca 0.01 0.68 0.10 0.00 0.00 0.00 0.00 51.96 52.75 1p1a s ALA 61 Cb -0.06 -3.27 0.92 0.00 0.00 0.00 0.00 23.12 20.71 1p1a s ALA 61 CO -0.00 -0.33 1.71 -0.07 0.00 0.00 0.00 175.76 177.07 1p1a h LEU 62 N 1.88 0.63 -1.39 0.00 -0.00 -1.04 -1.84 115.31 113.55 1p1a h LEU 62 Ca -0.49 0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 57.51 1p1a h LEU 62 Cb 1.22 0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.94 1p1a h LEU 62 CO 0.60 0.05 -0.11 0.07 -0.00 0.00 0.00 178.44 179.05 1p1a h LYS 63 N 0.52 0.00 0.00 1.13 -0.00 -1.48 -3.13 116.57 113.61 1p1a h LYS 63 Ca 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.31 1p1a h LYS 63 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.54 1p1a h LYS 63 CO -0.51 0.11 0.00 0.93 -0.00 0.00 0.00 179.45 179.99 1p1a h GLU 64 N 0.00 0.00 -0.00 0.07 5.08 -1.62 -2.06 114.58 116.04 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 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1p1a h GLU 64 CO 0.01 0.00 -0.05 0.66 -1.00 0.00 0.00 179.01 178.63 1p1a n TYR 65 N -2.57 0.00 -4.01 4.33 4.01 -1.18 -4.96 117.16 112.78 1p1a n TYR 65 Ca 0.04 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.47 1p1a n TYR 65 Cb 0.40 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.97 -4.27 -1.99 -0.72 5.02 -0.78 -4.97 118.16 109.50 1p1a n LYS 66 Ca 0.17 0.49 -0.37 0.00 -2.02 0.00 0.00 58.31 56.57 1p1a n LYS 66 Cb 0.24 -5.15 0.02 0.00 -0.02 0.00 0.00 35.03 30.12 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 -3.46 2.52 -0.02 -0.18 1.01 -1.26 -5.05 121.20 114.76 1p1a s ILE 67 Ca 0.50 0.38 0.06 0.00 0.00 0.00 0.00 60.65 61.60 1p1a s ILE 67 Cb -0.26 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 1p1a s ILE 67 CO 0.87 -0.02 -0.21 -0.62 0.00 0.00 0.00 174.94 174.96 1p1a s ASP 68 N -1.20 2.52 0.14 3.58 -1.08 -1.26 -5.02 116.67 114.35 1p1a s ASP 68 Ca 0.70 -0.40 0.15 0.00 -0.52 0.00 0.00 52.55 52.49 1p1a s ASP 68 Cb -0.35 -0.38 0.70 0.00 -1.46 0.00 0.00 42.92 41.43 1p1a s ASP 68 CO 0.41 0.25 1.47 -0.62 0.52 0.00 0.00 175.17 177.20 1p1a n GLU 69 N 2.68 0.08 -0.00 4.34 1.02 -1.26 -1.71 120.64 125.79 1p1a n GLU 69 Ca -0.16 0.44 0.10 0.00 -0.02 0.00 0.00 57.16 57.52 1p1a n GLU 69 Cb 0.53 -1.70 -0.12 0.00 -0.02 0.00 0.00 31.44 30.12 1p1a n GLU 69 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1p1a n LYS 70 N -1.87 0.09 -3.00 3.49 5.02 -1.26 -4.80 118.16 115.83 1p1a n LYS 70 Ca 0.01 -0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 56.09 1p1a n LYS 70 Cb 0.12 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.67 1p1a n LYS 70 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1p1a s ASN 71 N -3.22 5.33 0.14 4.39 2.47 -0.69 -5.08 114.94 118.28 1p1a s ASN 71 Ca 0.06 -0.62 0.04 0.00 0.42 0.00 0.00 52.86 52.75 1p1a s ASN 71 Cb 0.16 -0.16 -0.04 0.00 -1.45 0.00 0.00 41.25 39.75 1p1a s ASN 71 CO 0.87 -1.09 -0.08 0.72 -3.72 0.00 0.00 177.10 173.80 1p1a s PHE 72 N -2.54 1.20 0.10 0.43 -0.12 -1.26 -3.93 117.98 111.85 1p1a s PHE 72 Ca 0.59 -0.82 0.07 0.00 -0.05 0.00 0.00 56.93 56.72 1p1a s PHE 72 Cb -0.08 -0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 41.64 1p1a s PHE 72 CO 0.36 0.01 -0.18 0.14 -0.05 0.00 0.00 175.22 175.50 1p1a s VAL 73 N -3.41 1.51 -0.03 -2.49 -7.23 -0.25 -4.58 120.40 103.92 1p1a s VAL 73 Ca 0.17 -1.51 -0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1p1a s VAL 73 Cb 0.03 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 1p1a s VAL 73 CO 0.00 -0.15 0.04 -0.69 -0.31 0.00 0.00 175.10 173.99 1p1a s VAL 74 N -1.32 4.48 -0.02 1.32 1.01 0.34 -0.94 120.40 125.27 1p1a s VAL 74 Ca 0.05 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1p1a s VAL 74 Cb -0.09 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1p1a s VAL 74 CO 0.04 0.43 -0.22 -0.69 0.00 0.00 0.00 175.10 174.65 1p1a s VAL 75 N -1.08 2.38 0.14 2.92 1.01 0.15 -0.85 120.40 125.06 1p1a s VAL 75 Ca 0.19 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1p1a s VAL 75 Cb -0.12 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1p1a s VAL 75 CO 0.10 0.56 -0.09 -0.04 0.00 0.00 0.00 175.10 175.63 1p1a s MET 76 N -0.72 1.01 -0.01 2.72 -1.94 0.08 -3.94 119.30 116.50 1p1a s MET 76 Ca 0.11 -1.43 -0.00 0.00 -1.71 0.00 0.00 55.69 52.66 1p1a s MET 76 Cb -0.10 -0.50 0.01 0.00 2.01 0.00 0.00 34.83 36.25 1p1a s MET 76 CO -0.00 0.04 0.02 0.08 -0.01 0.00 0.00 175.02 175.15 1p1a s VAL 77 N -3.42 -0.02 0.05 -6.03 1.01 -1.26 -0.44 120.40 110.29 1p1a s VAL 77 Ca 0.16 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 1p1a s VAL 77 Cb 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 36.38 36.33 1p1a s VAL 77 CO -0.01 0.04 -0.00 0.28 0.00 0.00 0.00 175.10 175.41 1p1a s THR 78 N 0.44 0.20 0.00 3.92 -1.32 -0.67 -5.00 115.64 113.22 1p1a s THR 78 Ca -0.04 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 58.81 1p1a s THR 78 Cb -0.05 -1.36 0.00 0.00 -1.51 0.00 0.00 72.50 69.58 1p1a s THR 78 CO -0.01 -0.90 0.00 0.29 -2.21 0.00 0.00 174.62 171.78 1p1a n LYS 79 N 0.26 0.00 0.20 7.08 4.76 -1.26 -4.42 118.16 124.77 1p1a n LYS 79 Ca -0.15 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.41 1p1a n LYS 79 Cb 0.60 -0.21 0.17 0.00 -1.84 0.00 0.00 35.03 33.76 1p1a n LYS 79 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1p1a h PRO 80 N 0.00 0.00 -3.11 1.97 0.13 -2.01 -3.46 132.00 125.52 1p1a h PRO 80 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1p1a h PRO 80 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 1p1a h PRO 80 CO 0.00 0.00 -0.33 0.15 -0.23 0.00 0.00 178.00 177.59 1p1a s LYS 81 N -3.22 0.58 -0.58 0.86 -0.14 -1.26 -5.12 119.74 110.86 1p1a s LYS 81 Ca 0.07 -0.11 -0.28 0.00 -1.36 0.00 0.00 55.97 54.29 1p1a s LYS 81 Cb 0.06 0.26 0.01 0.00 -1.68 0.00 0.00 37.83 36.48 1p1a s LYS 81 CO 0.68 -0.14 1.47 0.00 -0.76 0.00 0.00 175.35 176.59 1p1a s ALA 82 N -1.06 2.72 0.08 5.17 0.00 -1.26 -4.90 121.76 122.51 1p1a s ALA 82 Ca -0.11 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.15 1p1a s ALA 82 Cb -0.05 -4.14 -0.04 0.00 0.00 0.00 0.00 23.12 18.89 1p1a s ALA 82 CO 0.03 -3.08 -0.05 0.14 0.00 0.00 0.00 175.76 172.80 1p1a s VAL 83 N 6.44 0.49 0.14 0.00 -7.23 -1.26 -5.19 120.40 113.80 1p1a s VAL 83 Ca 0.53 -1.88 0.05 0.00 -1.81 0.00 0.00 61.98 58.87 1p1a s VAL 83 Cb -0.11 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 1p1a s VAL 83 CO 0.24 -0.93 -0.11 -0.55 -0.31 0.00 0.00 175.10 173.44 1p1a s SER 84 N -2.99 1.86 0.00 4.85 0.15 -1.26 -4.96 113.70 111.36 1p1a s SER 84 Ca 0.10 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1p1a s SER 84 Cb 0.06 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1p1a s SER 84 CO -0.07 -0.28 0.18 0.41 1.20 0.00 0.00 173.24 174.68