#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2j h GLN 2 N 0.00 0.90 -5.72 0.00 4.15 -2.07 -3.42 115.11 108.94 1a2j h GLN 2 Ca 0.00 -0.44 -0.68 0.00 0.77 0.00 0.00 58.65 58.30 1a2j h GLN 2 Cb 0.00 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 27.39 1a2j h GLN 2 CO 0.00 1.09 -0.85 0.71 -1.93 0.00 0.00 178.83 177.85 1a2j s TYR 3 N -4.48 2.57 0.02 3.99 2.02 -1.26 -5.02 117.35 115.20 1a2j s TYR 3 Ca -0.11 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 55.85 1a2j s TYR 3 Cb 0.11 -1.68 -0.02 0.00 -0.40 0.00 0.00 41.96 39.97 1a2j s TYR 3 CO 0.86 -0.23 -0.04 -1.21 -1.57 0.00 0.00 175.55 173.37 1a2j s GLU 4 N 0.02 0.35 0.24 -0.62 8.01 -1.26 -5.06 118.70 120.38 1a2j s GLU 4 Ca -0.08 -0.63 -0.30 0.00 0.01 0.00 0.00 54.97 53.97 1a2j s GLU 4 Cb -0.15 0.03 -0.10 0.00 -4.31 0.00 0.00 34.13 29.60 1a2j s GLU 4 CO 0.05 -0.03 1.46 0.34 0.01 0.00 0.00 175.26 177.10 1a2j s ASP 5 N -1.47 6.62 0.00 -0.19 2.15 -1.26 -2.01 116.67 120.51 1a2j s ASP 5 Ca -0.15 2.69 0.00 0.00 0.43 0.00 0.00 52.55 55.52 1a2j s ASP 5 Cb -0.10 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1a2j s ASP 5 CO -0.01 -0.73 0.00 0.61 -0.17 0.00 0.00 175.17 174.87 1a2j n GLY 6 N 2.34 2.64 0.00 2.66 0.00 0.76 -4.93 105.19 108.65 1a2j n GLY 6 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1a2j n GLY 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a2j n LYS 7 N 0.00 0.00 0.17 1.61 4.81 -0.85 -4.70 118.16 119.20 1a2j n LYS 7 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 1a2j n LYS 7 Cb 0.00 -0.08 0.42 0.00 0.02 0.00 0.00 35.03 35.39 1a2j n LYS 7 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1a2j h GLN 8 N 0.00 0.00 -3.02 1.64 7.50 -1.70 -3.27 115.11 116.27 1a2j h GLN 8 Ca 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 1a2j h GLN 8 Cb 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 27.48 27.40 1a2j h GLN 8 CO 0.00 0.00 0.13 1.52 -1.50 0.00 0.00 178.83 178.98 1a2j s TYR 9 N -3.29 -0.46 0.22 2.96 1.13 -1.26 -0.01 117.35 116.64 1a2j s TYR 9 Ca 0.06 0.28 0.10 0.00 -1.41 0.00 0.00 57.07 56.11 1a2j s TYR 9 Cb 0.09 0.46 -0.05 0.00 -1.10 0.00 0.00 41.96 41.37 1a2j s TYR 9 CO 0.56 -0.78 -0.20 0.95 -2.51 0.00 0.00 175.55 173.56 1a2j s THR 10 N -3.51 2.20 -0.16 -3.49 -4.23 0.01 -0.17 115.64 106.29 1a2j s THR 10 Ca 0.00 -2.19 -0.08 0.00 -1.18 0.00 0.00 61.69 58.25 1a2j s THR 10 Cb -0.00 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 1a2j s THR 10 CO -0.11 -0.34 0.11 -0.89 -0.54 0.00 0.00 174.62 172.85 1a2j s THR 11 N -2.29 5.21 0.26 3.99 2.01 -1.26 -0.55 115.64 123.01 1a2j s THR 11 Ca 0.24 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 1a2j s THR 11 Cb -0.05 -3.31 -0.09 0.00 0.01 0.00 0.00 72.50 69.05 1a2j s THR 11 CO 0.11 0.52 1.25 -0.76 -0.69 0.00 0.00 174.62 175.05 1a2j s LEU 12 N -0.25 4.45 0.28 4.42 1.43 -0.17 -4.93 118.68 123.92 1a2j s LEU 12 Ca 0.10 2.45 -0.01 0.00 -1.03 0.00 0.00 54.13 55.63 1a2j s LEU 12 Cb -0.12 -3.63 0.45 0.00 0.03 0.00 0.00 46.19 42.92 1a2j s LEU 12 CO 0.01 -0.42 1.92 1.05 0.23 0.00 0.00 176.35 179.13 1a2j h GLU 13 N 4.37 1.10 -4.45 1.70 -0.00 -1.98 -3.37 114.58 111.95 1a2j h GLU 13 Ca -0.46 -0.07 -0.63 0.00 -0.00 0.00 0.00 59.36 58.20 1a2j h GLU 13 Cb 1.22 -0.25 -0.39 0.00 -0.00 0.00 0.00 28.75 29.33 1a2j h GLU 13 CO 0.71 0.73 -0.76 0.15 -0.00 0.00 0.00 179.01 179.83 1a2j s LYS 14 N -5.97 1.58 0.32 1.06 -0.14 -1.26 -5.11 119.74 110.21 1a2j s LYS 14 Ca -0.12 -1.35 -0.29 0.00 -1.36 0.00 0.00 55.97 52.85 1a2j s LYS 14 Cb 0.19 -2.76 -0.11 0.00 -1.68 0.00 0.00 37.83 33.48 1a2j s LYS 14 CO 0.81 -0.75 1.46 -2.14 -0.76 0.00 0.00 175.35 173.97 1a2j s PRO 15 N 1.21 4.20 -0.40 -1.68 0.02 -1.26 -4.97 135.00 132.12 1a2j s PRO 15 Ca 0.01 2.44 -0.21 0.00 0.02 0.00 0.00 61.00 63.26 1a2j s PRO 15 Cb -0.19 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.31 1a2j s PRO 15 CO -0.09 -0.46 0.66 0.08 -0.33 0.00 0.00 177.00 176.86 1a2j s VAL 16 N -0.61 4.83 0.32 3.83 1.01 0.31 -5.02 120.40 125.07 1a2j s VAL 16 Ca 0.56 0.40 -0.28 0.00 0.00 0.00 0.00 61.98 62.66 1a2j s VAL 16 Cb -0.44 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 31.69 1a2j s VAL 16 CO 0.53 -0.47 1.10 0.00 0.00 0.00 0.00 175.10 176.26 1a2j s ALA 17 N 2.83 3.32 -1.14 5.51 0.00 -1.26 -3.54 121.76 127.48 1a2j s ALA 17 Ca 0.25 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1a2j s ALA 17 Cb -0.14 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1a2j s ALA 17 CO 0.17 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1a2j n GLY 18 N 0.96 1.16 3.84 0.00 0.00 -1.26 -5.00 105.19 104.89 1a2j n GLY 18 Ca 0.01 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1a2j n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a2j s ALA 19 N -2.27 3.02 0.51 4.61 0.00 -1.23 -5.00 121.76 121.40 1a2j s ALA 19 Ca 0.00 0.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 1a2j s ALA 19 Cb 0.00 -3.13 -0.06 0.00 0.00 0.00 0.00 23.12 19.93 1a2j s ALA 19 CO 0.00 -0.45 1.34 -2.30 0.00 0.00 0.00 175.76 174.36 1a2j n PRO 20 N -1.95 1.80 -0.24 0.00 -0.02 -1.26 -4.69 135.00 128.64 1a2j n PRO 20 Ca 0.07 0.66 0.05 0.00 -2.02 0.00 0.00 63.50 62.25 1a2j n PRO 20 Cb 0.54 -2.54 0.16 0.00 -0.02 0.00 0.00 33.50 31.64 1a2j n PRO 20 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1a2j h GLN 21 N 1.66 0.19 -3.49 -0.52 4.20 -1.92 -3.36 115.11 111.85 1a2j h GLN 21 Ca -0.50 -0.01 -0.50 0.00 0.06 0.00 0.00 58.65 57.70 1a2j h GLN 21 Cb 1.30 -0.04 -0.40 0.00 0.30 0.00 0.00 27.48 28.64 1a2j h GLN 21 CO 0.58 0.12 -0.76 0.08 -0.67 0.00 0.00 178.83 178.18 1a2j s VAL 22 N -6.08 0.41 -0.13 -0.54 1.01 -1.21 -0.11 120.40 113.75 1a2j s VAL 22 Ca -0.13 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 1a2j s VAL 22 Cb 0.21 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 1a2j s VAL 22 CO 0.75 -0.15 -0.13 -0.22 0.00 0.00 0.00 175.10 175.35 1a2j s LEU 23 N 1.92 2.75 -0.06 3.92 0.20 0.11 -0.46 118.68 127.06 1a2j s LEU 23 Ca 0.00 -0.31 0.06 0.00 0.69 0.00 0.00 54.13 54.57 1a2j s LEU 23 Cb -0.16 -1.62 -0.01 0.00 -0.43 0.00 0.00 46.19 43.96 1a2j s LEU 23 CO -0.08 0.17 -0.23 -0.70 -0.29 0.00 0.00 176.35 175.22 1a2j s GLU 24 N 0.33 2.53 -0.08 1.98 2.12 0.55 -0.38 118.70 125.75 1a2j s GLU 24 Ca -0.10 -0.87 0.01 0.00 0.36 0.00 0.00 54.97 54.37 1a2j s GLU 24 Cb -0.16 -2.21 -0.03 0.00 0.26 0.00 0.00 34.13 32.00 1a2j s GLU 24 CO 0.05 0.43 -0.09 -0.06 -0.54 0.00 0.00 175.26 175.06 1a2j s PHE 25 N -0.28 2.87 0.37 5.30 0.08 -0.07 -0.59 117.98 125.66 1a2j s PHE 25 Ca 0.00 -0.12 -0.10 0.00 0.12 0.00 0.00 56.93 56.83 1a2j s PHE 25 Cb -0.13 -1.72 0.04 0.00 -0.57 0.00 0.00 43.02 40.64 1a2j s PHE 25 CO 0.03 0.21 0.68 1.97 -0.10 0.00 0.00 175.22 178.00 1a2j n PHE 26 N 2.49 -2.04 -3.69 0.36 -1.74 -0.58 -2.52 117.46 109.74 1a2j n PHE 26 Ca -0.18 -2.00 -0.14 0.00 -0.56 0.00 0.00 57.45 54.57 1a2j n PHE 26 Cb 0.53 0.79 -0.09 0.00 1.52 0.00 0.00 39.48 42.23 1a2j n PHE 26 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1a2j s SER 27 N -3.07 -0.52 0.25 5.98 0.15 -1.26 -1.16 113.70 114.07 1a2j s SER 27 Ca 0.20 0.92 0.24 0.00 0.70 0.00 0.00 55.95 58.01 1a2j s SER 27 Cb -0.04 0.94 0.94 0.00 -1.71 0.00 0.00 66.02 66.15 1a2j s SER 27 CO 0.15 -0.25 1.73 0.49 1.20 0.00 0.00 173.24 176.56 1a2j n PHE 28 N 2.45 0.85 -1.46 3.44 3.72 -1.26 -2.69 117.46 122.50 1a2j n PHE 28 Ca -0.15 0.31 -0.35 0.00 -0.05 0.00 0.00 57.45 57.21 1a2j n PHE 28 Cb 0.56 -1.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.18 1a2j n PHE 28 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1a2j n PHE 29 N -2.25 3.18 -3.57 1.38 3.72 -1.26 -4.53 117.46 114.12 1a2j n PHE 29 Ca 0.03 -2.90 -0.27 0.00 -0.05 0.00 0.00 57.45 54.26 1a2j n PHE 29 Cb 0.28 -1.36 -0.16 0.00 -0.94 0.00 0.00 39.48 37.30 1a2j n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a2j h PRO 31 N 8.41 0.08 0.00 0.00 0.11 -1.88 0.20 132.00 138.92 1a2j h PRO 31 Ca -0.17 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.89 1a2j h PRO 31 Cb 1.09 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1a2j h PRO 31 CO 0.36 0.05 -0.22 0.45 -0.21 0.00 0.00 178.00 178.43 1a2j h HIS 32 N 0.09 0.00 -0.16 0.65 3.86 -1.96 -1.90 115.15 115.72 1a2j h HIS 32 Ca 0.32 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.33 1a2j h HIS 32 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1a2j h HIS 32 CO -0.40 0.22 -0.68 0.00 0.86 0.00 0.00 177.93 177.93 1a2j h TYR 34 N 0.45 -0.16 -0.31 0.00 5.03 -0.49 -0.24 116.97 121.25 1a2j h TYR 34 Ca -0.02 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.29 1a2j h TYR 34 Cb 1.27 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.59 1a2j h TYR 34 CO 0.06 -0.10 0.19 1.96 -1.32 0.00 0.00 178.16 178.95 1a2j h GLN 35 N -0.18 0.38 -0.71 1.82 4.20 -1.36 0.38 115.11 119.64 1a2j h GLN 35 Ca -0.02 -0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.80 1a2j h GLN 35 Cb 0.14 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 27.74 1a2j h GLN 35 CO 0.03 0.25 0.27 0.35 -0.67 0.00 0.00 178.83 179.06 1a2j h PHE 36 N 0.39 0.47 0.00 2.96 3.57 -0.70 0.41 116.94 124.04 1a2j h PHE 36 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1a2j h PHE 36 Cb -0.01 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1a2j h PHE 36 CO -0.07 0.07 -0.18 0.93 -2.23 0.00 0.00 178.31 176.83 1a2j h GLU 37 N 0.43 0.00 -0.14 1.11 4.39 -0.68 0.22 114.58 119.91 1a2j h GLU 37 Ca 0.38 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.93 1a2j h GLU 37 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1a2j h GLU 37 CO -0.38 0.00 -0.57 0.93 -1.16 0.00 0.00 179.01 177.83 1a2j h GLU 38 N -0.42 0.44 0.00 2.33 4.39 -0.36 -2.81 114.58 118.15 1a2j h GLU 38 Ca 0.00 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1a2j h GLU 38 Cb 0.18 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1a2j h GLU 38 CO 0.00 0.89 -0.01 0.28 -1.16 0.00 0.00 179.01 179.01 1a2j n VAL 39 N -3.93 0.02 0.22 3.13 0.31 -0.73 -4.62 118.33 112.73 1a2j n VAL 39 Ca -0.03 0.50 0.10 0.00 -0.01 0.00 0.00 64.34 64.89 1a2j n VAL 39 Cb 0.61 -1.51 0.44 0.00 -0.91 0.00 0.00 33.84 32.47 1a2j n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1a2j h LEU 40 N -0.01 0.00 -0.99 7.52 4.07 -0.39 -3.48 115.31 122.03 1a2j h LEU 40 Ca 0.00 0.00 -0.41 0.00 0.08 0.00 0.00 57.88 57.55 1a2j h LEU 40 Cb 0.01 0.00 0.10 0.00 1.08 0.00 0.00 40.66 41.85 1a2j h LEU 40 CO 0.00 0.23 -0.71 1.41 -1.08 0.00 0.00 178.44 178.29 1a2j n HIS 41 N -3.38 -2.67 -0.20 1.13 8.25 -0.94 -4.90 115.22 112.51 1a2j n HIS 41 Ca 0.00 0.98 -0.02 0.00 -0.26 0.00 0.00 57.72 58.42 1a2j n HIS 41 Cb 0.44 -4.79 0.09 0.00 1.12 0.00 0.00 29.99 26.85 1a2j n HIS 41 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1a2j h ILE 42 N -2.47 0.89 0.29 1.59 1.08 -1.19 -2.35 117.51 115.35 1a2j h ILE 42 Ca -0.58 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 1a2j h ILE 42 Cb 1.37 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 1a2j h ILE 42 CO 0.58 0.10 -0.37 0.28 -0.69 0.00 0.00 178.15 178.05 1a2j h SER 43 N 0.53 -1.02 -0.93 1.72 0.02 -1.90 0.54 113.55 112.51 1a2j h SER 43 Ca 0.28 0.10 0.10 0.00 -0.84 0.00 0.00 61.79 61.42 1a2j h SER 43 Cb 0.24 0.36 -0.08 0.00 0.14 0.00 0.00 62.40 63.06 1a2j h SER 43 CO -0.22 -0.49 0.57 0.44 -1.14 0.00 0.00 176.83 175.99 1a2j h ASP 44 N -0.71 0.84 -0.61 3.07 3.32 -1.90 0.84 116.42 121.27 1a2j h ASP 44 Ca -0.01 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 1a2j h ASP 44 Cb 0.67 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1a2j h ASP 44 CO -0.11 0.48 0.03 0.78 -1.72 0.00 0.00 179.24 178.70 1a2j h ASN 45 N 0.94 1.04 -0.04 6.45 2.35 -1.00 -1.33 115.58 123.99 1a2j h ASN 45 Ca 0.44 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1a2j h ASN 45 Cb 0.37 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1a2j h ASN 45 CO -0.24 1.07 0.01 0.58 -1.65 0.00 0.00 177.43 177.19 1a2j h VAL 46 N 0.98 1.22 -0.77 2.81 2.07 0.19 -3.06 116.25 119.69 1a2j h VAL 46 Ca 0.18 -0.67 0.09 0.00 0.82 0.00 0.00 66.70 67.13 1a2j h VAL 46 Cb 0.52 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 1a2j h VAL 46 CO 0.03 0.18 0.42 0.11 0.02 0.00 0.00 177.57 178.33 1a2j h LYS 47 N -0.19 0.70 -0.03 1.57 1.57 -0.75 -1.44 116.57 118.00 1a2j h LYS 47 Ca 0.01 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1a2j h LYS 47 Cb 0.28 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1a2j h LYS 47 CO 0.00 0.46 0.02 0.87 -0.57 0.00 0.00 179.45 180.23 1a2j h LYS 48 N 0.72 0.00 -0.02 3.15 1.57 -1.15 -2.61 116.57 118.23 1a2j h LYS 48 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1a2j h LYS 48 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1a2j h LYS 48 CO -0.25 0.00 -0.14 1.63 -0.57 0.00 0.00 179.45 180.12 1a2j n LYS 49 N -4.30 1.70 -1.96 3.15 5.02 -0.60 -5.00 118.16 116.17 1a2j n LYS 49 Ca -0.02 -1.43 -0.40 0.00 -2.02 0.00 0.00 58.31 54.44 1a2j n LYS 49 Cb 0.11 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1a2j n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a2j s LEU 50 N -1.89 4.31 1.06 -0.35 1.43 -0.86 -4.77 118.68 117.61 1a2j s LEU 50 Ca 0.21 2.84 -0.12 0.00 -1.03 0.00 0.00 54.13 56.02 1a2j s LEU 50 Cb 0.16 -3.74 0.22 0.00 0.03 0.00 0.00 46.19 42.87 1a2j s LEU 50 CO 0.34 -0.79 1.07 -2.84 0.23 0.00 0.00 176.35 174.36 1a2j s PRO 51 N -2.06 -0.09 0.29 1.29 0.02 -1.26 -4.90 135.00 128.28 1a2j s PRO 51 Ca 0.53 0.92 -0.30 0.00 0.02 0.00 0.00 61.00 62.18 1a2j s PRO 51 Cb -0.42 -1.64 -0.11 0.00 0.02 0.00 0.00 34.50 32.34 1a2j s PRO 51 CO 0.56 -3.19 1.54 -1.21 -0.33 0.00 0.00 177.00 174.37 1a2j s GLU 52 N -4.63 4.17 0.00 5.54 2.02 -1.26 -2.30 118.70 122.23 1a2j s GLU 52 Ca 0.67 2.49 0.00 0.00 0.02 0.00 0.00 54.97 58.15 1a2j s GLU 52 Cb -0.23 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 30.96 1a2j s GLU 52 CO 0.61 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.75 1a2j n GLY 53 N 2.04 0.81 3.57 -1.39 0.00 -1.26 -5.01 105.19 103.95 1a2j n GLY 53 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1a2j n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a2j s VAL 54 N -3.20 5.07 0.15 1.61 1.01 -0.98 -5.08 120.40 118.98 1a2j s VAL 54 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.13 1a2j s VAL 54 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1a2j s VAL 54 CO 0.00 0.30 0.02 -0.54 0.00 0.00 0.00 175.10 174.88 1a2j s LYS 55 N 1.53 2.53 -0.05 2.72 -0.14 -1.26 -4.81 119.74 120.26 1a2j s LYS 55 Ca 0.07 -0.99 0.01 0.00 -1.36 0.00 0.00 55.97 53.70 1a2j s LYS 55 Cb -0.15 -2.46 -0.03 0.00 -1.68 0.00 0.00 37.83 33.51 1a2j s LYS 55 CO 0.08 0.49 -0.06 1.41 -0.76 0.00 0.00 175.35 176.51 1a2j s MET 56 N -2.78 2.73 -0.00 1.68 -2.45 -1.26 -3.32 119.30 113.90 1a2j s MET 56 Ca 0.27 -0.58 0.06 0.00 -1.25 0.00 0.00 55.69 54.20 1a2j s MET 56 Cb -0.10 -2.60 -0.02 0.00 1.25 0.00 0.00 34.83 33.37 1a2j s MET 56 CO 0.19 0.65 -0.19 0.99 1.05 0.00 0.00 175.02 177.71 1a2j s THR 57 N -0.88 1.52 -0.12 10.11 2.01 0.39 -5.01 115.64 123.66 1a2j s THR 57 Ca 0.14 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1a2j s THR 57 Cb -0.11 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.14 1a2j s THR 57 CO 0.03 0.38 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.63 1a2j s LYS 58 N -0.58 2.50 0.02 4.92 1.02 -1.26 -0.33 119.74 126.02 1a2j s LYS 58 Ca 0.07 -0.66 0.05 0.00 0.02 0.00 0.00 55.97 55.45 1a2j s LYS 58 Cb -0.08 -2.10 -0.03 0.00 -0.52 0.00 0.00 37.83 35.10 1a2j s LYS 58 CO -0.00 -0.06 -0.14 0.71 -0.92 0.00 0.00 175.35 174.94 1a2j s TYR 59 N 0.97 2.68 -0.09 3.18 2.02 0.24 -4.96 117.35 121.40 1a2j s TYR 59 Ca -0.06 -0.18 -0.10 0.00 -0.37 0.00 0.00 57.07 56.37 1a2j s TYR 59 Cb -0.15 -1.53 -0.05 0.00 -0.40 0.00 0.00 41.96 39.84 1a2j s TYR 59 CO -0.03 0.28 0.22 -1.58 -1.57 0.00 0.00 175.55 172.88 1a2j s HIS 60 N -0.92 3.63 0.20 2.71 2.46 -1.26 -1.53 115.29 120.58 1a2j s HIS 60 Ca 0.15 0.67 -0.04 0.00 0.47 0.00 0.00 55.06 56.30 1a2j s HIS 60 Cb -0.11 -2.06 -0.05 0.00 -0.13 0.00 0.00 32.58 30.23 1a2j s HIS 60 CO 0.05 0.69 0.44 0.14 -2.47 0.00 0.00 174.74 173.59 1a2j s VAL 61 N -0.97 5.12 -1.81 0.89 -7.23 -0.31 -4.80 120.40 111.30 1a2j s VAL 61 Ca 0.17 -0.01 0.15 0.00 -1.81 0.00 0.00 61.98 60.48 1a2j s VAL 61 Cb -0.13 -3.67 0.17 0.00 0.56 0.00 0.00 36.38 33.30 1a2j s VAL 61 CO 0.07 -0.11 1.05 -0.46 -0.31 0.00 0.00 175.10 175.34 1a2j n ASN 62 N -0.36 2.45 -0.53 4.85 0.23 -1.26 -4.55 115.26 116.09 1a2j n ASN 62 Ca -0.02 -1.70 0.05 0.00 -0.53 0.00 0.00 54.58 52.37 1a2j n ASN 62 Cb 0.53 -0.05 0.13 0.00 -2.08 0.00 0.00 39.78 38.31 1a2j n ASN 62 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1a2j n PHE 63 N 0.87 0.38 -4.62 -2.53 1.16 -1.26 -4.35 117.46 107.11 1a2j n PHE 63 Ca 0.10 -0.19 -0.23 0.00 -1.87 0.00 0.00 57.45 55.26 1a2j n PHE 63 Cb 0.40 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.13 1a2j n PHE 63 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1a2j s MET 64 N -1.62 1.23 0.00 3.97 -1.94 -1.26 -4.78 119.30 114.90 1a2j s MET 64 Ca 0.20 -0.72 0.00 0.00 -1.71 0.00 0.00 55.69 53.45 1a2j s MET 64 Cb 0.10 -1.24 0.00 0.00 2.01 0.00 0.00 34.83 35.70 1a2j s MET 64 CO 0.13 0.33 0.00 0.41 -0.01 0.00 0.00 175.02 175.88 1a2j n GLY 65 N 2.24 0.59 7.00 -0.03 0.00 -1.26 -3.84 105.19 109.88 1a2j n GLY 65 Ca -0.16 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1a2j n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2j n GLY 66 N -2.76 2.85 0.34 -0.02 0.00 -1.26 -2.44 105.19 101.90 1a2j n GLY 66 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.64 1a2j n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a2j h ASP 67 N 9.64 0.89 -0.10 1.61 5.19 -1.94 -1.17 116.42 130.54 1a2j h ASP 67 Ca 0.00 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 1a2j h ASP 67 Cb 0.00 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.28 1a2j h ASP 67 CO 0.00 0.68 0.00 0.25 -3.12 0.00 0.00 179.24 177.06 1a2j h LEU 68 N 1.02 0.25 -1.11 1.55 6.46 -1.87 -0.53 115.31 121.07 1a2j h LEU 68 Ca 0.27 -0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 1a2j h LEU 68 Cb -0.04 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 1a2j h LEU 68 CO -0.05 0.30 0.23 1.23 -0.62 0.00 0.00 178.44 179.52 1a2j h GLY 69 N 0.54 0.92 0.71 3.75 0.00 -0.87 0.16 103.07 108.28 1a2j h GLY 69 Ca 0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1a2j h GLY 69 CO 0.00 0.45 -0.00 0.50 0.00 0.00 0.00 176.54 177.49 1a2j h LYS 70 N 0.84 0.09 -0.89 4.80 6.56 -0.96 -2.41 116.57 124.60 1a2j h LYS 70 Ca 0.20 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 1a2j h LYS 70 Cb 0.18 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.79 1a2j h LYS 70 CO -0.02 0.38 0.56 -0.44 -2.06 0.00 0.00 179.45 177.87 1a2j h ASP 71 N -0.22 1.04 0.37 0.86 3.32 -0.85 -1.65 116.42 119.29 1a2j h ASP 71 Ca 0.01 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1a2j h ASP 71 Cb 0.34 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1a2j h ASP 71 CO 0.00 0.78 -0.34 -0.07 -1.72 0.00 0.00 179.24 177.89 1a2j h LEU 72 N 1.21 0.00 -0.34 1.55 3.38 -0.65 0.70 115.31 121.15 1a2j h LEU 72 Ca 0.32 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.12 1a2j h LEU 72 Cb -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1a2j h LEU 72 CO -0.07 0.34 -0.46 0.74 0.09 0.00 0.00 178.44 179.09 1a2j h THR 73 N 0.00 1.27 -0.22 0.22 2.02 -0.79 -1.04 112.91 114.37 1a2j h THR 73 Ca -0.00 -1.63 -0.20 0.00 0.77 0.00 0.00 66.41 65.35 1a2j h THR 73 Cb 0.61 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1a2j h THR 73 CO 0.04 0.54 -0.63 -0.61 0.37 0.00 0.00 175.52 175.23 1a2j h GLN 74 N 0.72 0.80 -0.28 6.66 4.15 -1.08 -2.00 115.11 124.07 1a2j h GLN 74 Ca 0.04 -0.56 -0.03 0.00 0.77 0.00 0.00 58.65 58.87 1a2j h GLN 74 Cb 1.06 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 1a2j h GLN 74 CO 0.11 1.18 0.02 0.00 -1.93 0.00 0.00 178.83 178.21 1a2j h ALA 75 N 0.69 1.52 -0.16 3.38 0.00 -0.82 -0.35 119.26 123.52 1a2j h ALA 75 Ca -0.01 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1a2j h ALA 75 Cb 1.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1a2j h ALA 75 CO 0.13 0.35 -0.50 2.35 0.00 0.00 0.00 179.25 181.59 1a2j h TRP 76 N 0.41 0.52 -0.59 0.00 2.91 -0.96 -1.42 115.95 116.81 1a2j h TRP 76 Ca 0.09 -0.17 -0.03 0.00 1.13 0.00 0.00 58.89 59.91 1a2j h TRP 76 Cb 0.24 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 28.76 1a2j h TRP 76 CO 0.01 0.84 0.23 0.00 -1.03 0.00 0.00 178.44 178.48 1a2j h ALA 77 N 1.13 0.76 -0.41 2.65 0.00 -0.40 -1.09 119.26 121.91 1a2j h ALA 77 Ca 0.02 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1a2j h ALA 77 Cb 0.99 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1a2j h ALA 77 CO 0.09 0.38 0.27 0.28 0.00 0.00 0.00 179.25 180.26 1a2j h VAL 78 N 0.81 1.10 -0.84 0.00 2.07 -0.79 1.00 116.25 119.60 1a2j h VAL 78 Ca 0.20 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1a2j h VAL 78 Cb 0.21 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 1a2j h VAL 78 CO -0.02 0.10 0.52 0.00 0.02 0.00 0.00 177.57 178.19 1a2j h ALA 79 N 1.15 1.16 -0.17 1.67 0.00 -0.77 0.74 119.26 123.04 1a2j h ALA 79 Ca 0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1a2j h ALA 79 Cb -0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1a2j h ALA 79 CO -0.04 0.26 -0.23 0.52 0.00 0.00 0.00 179.25 179.76 1a2j h MET 80 N 0.95 0.46 -0.87 0.00 2.86 -0.75 0.63 114.93 118.22 1a2j h MET 80 Ca 0.37 -0.26 0.07 0.00 -2.06 0.00 0.00 59.70 57.81 1a2j h MET 80 Cb 0.17 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 1a2j h MET 80 CO -0.17 0.85 0.53 0.00 1.06 0.00 0.00 176.91 179.18 1a2j h ALA 81 N 0.60 1.20 -0.01 6.32 0.00 -0.18 -1.61 119.26 125.59 1a2j h ALA 81 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1a2j h ALA 81 Cb 0.80 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1a2j h ALA 81 CO 0.05 0.25 -0.15 1.28 0.00 0.00 0.00 179.25 180.69 1a2j n LEU 82 N -4.63 1.34 -2.07 0.00 4.77 0.20 -4.96 117.00 111.64 1a2j n LEU 82 Ca 0.13 -0.41 -0.16 0.00 -0.03 0.00 0.00 56.01 55.54 1a2j n LEU 82 Cb 0.20 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1a2j n LEU 82 CO 0.30 0.24 -0.08 0.61 -1.33 0.00 0.00 177.39 177.13 1a2j n GLY 83 N 1.28 -0.23 0.97 -0.72 0.00 -0.36 -4.93 105.19 101.20 1a2j n GLY 83 Ca 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 1a2j n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1a2j n VAL 84 N -4.12 2.43 -0.09 1.61 0.24 0.07 -4.79 118.33 113.68 1a2j n VAL 84 Ca -0.12 -2.75 -0.06 0.00 -2.04 0.00 0.00 64.34 59.37 1a2j n VAL 84 Cb 0.61 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 1a2j n VAL 84 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1a2j h GLU 85 N 1.02 -0.02 0.00 7.34 5.08 -1.92 -1.85 114.58 124.23 1a2j h GLU 85 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1a2j h GLU 85 Cb 1.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1a2j h GLU 85 CO 0.28 -0.01 0.00 -0.25 -1.00 0.00 0.00 179.01 178.03 1a2j n ASP 86 N -5.28 0.00 -0.03 1.42 8.00 -1.26 -1.88 116.55 117.52 1a2j n ASP 86 Ca 0.01 -0.74 0.04 0.00 0.71 0.00 0.00 54.79 54.81 1a2j n ASP 86 Cb 0.20 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.15 1a2j n ASP 86 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1a2j n LYS 87 N -0.95 0.73 -0.00 -1.24 5.02 -0.71 -4.61 118.16 116.40 1a2j n LYS 87 Ca 0.15 -0.13 0.05 0.00 -2.02 0.00 0.00 58.31 56.36 1a2j n LYS 87 Cb 0.07 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.55 1a2j n LYS 87 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1a2j n VAL 88 N -2.30 0.00 -0.05 -0.18 0.24 -1.06 -4.68 118.33 110.30 1a2j n VAL 88 Ca -0.11 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.34 61.87 1a2j n VAL 88 Cb 0.66 0.62 -0.01 0.00 -1.47 0.00 0.00 33.84 33.64 1a2j n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1a2j h THR 89 N 0.00 0.55 0.48 3.34 2.02 -1.63 -1.58 112.91 116.10 1a2j h THR 89 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1a2j h THR 89 Cb 0.37 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1a2j h THR 89 CO 0.00 0.00 -0.23 0.58 0.37 0.00 0.00 175.52 176.24 1a2j h VAL 90 N -0.14 0.50 -0.22 3.16 2.07 -1.87 -1.83 116.25 117.91 1a2j h VAL 90 Ca 0.13 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1a2j h VAL 90 Cb 0.34 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1a2j h VAL 90 CO -0.32 0.04 0.15 1.55 0.02 0.00 0.00 177.57 179.00 1a2j h PRO 91 N -0.79 0.30 -0.11 1.57 0.13 -1.82 -0.72 132.00 130.56 1a2j h PRO 91 Ca -0.07 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 1a2j h PRO 91 Cb 0.56 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 1a2j h PRO 91 CO 0.11 0.20 -0.07 -0.07 -0.23 0.00 0.00 178.00 177.93 1a2j h LEU 92 N 0.30 0.25 0.05 1.56 3.38 -1.22 0.36 115.31 120.00 1a2j h LEU 92 Ca 0.08 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1a2j h LEU 92 Cb -0.03 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1a2j h LEU 92 CO -0.02 0.64 -0.03 -0.26 0.09 0.00 0.00 178.44 178.87 1a2j h PHE 93 N -0.14 -0.06 -0.05 1.13 0.04 -0.92 -0.42 116.94 116.52 1a2j h PHE 93 Ca 0.02 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1a2j h PHE 93 Cb 0.55 0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.72 1a2j h PHE 93 CO 0.08 -0.01 0.03 0.93 -0.60 0.00 0.00 178.31 178.73 1a2j h GLU 94 N -0.10 0.07 -0.50 1.51 4.39 -1.19 -0.26 114.58 118.50 1a2j h GLU 94 Ca -0.01 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1a2j h GLU 94 Cb 0.08 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1a2j h GLU 94 CO 0.01 0.11 0.25 0.78 -1.16 0.00 0.00 179.01 179.00 1a2j h GLY 95 N 0.01 0.75 0.00 -3.84 0.00 -0.82 0.24 103.07 99.40 1a2j h GLY 95 Ca 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1a2j h GLY 95 CO -0.00 0.32 -0.08 -2.08 0.00 0.00 0.00 176.54 174.70 1a2j h VAL 96 N 0.70 1.63 0.02 4.60 2.07 -0.90 0.15 116.25 124.52 1a2j h VAL 96 Ca 0.18 -2.25 -0.35 0.00 0.82 0.00 0.00 66.70 65.10 1a2j h VAL 96 Cb 0.06 3.10 -0.06 0.00 -1.52 0.00 0.00 31.29 32.88 1a2j h VAL 96 CO -0.03 0.55 -2.17 0.00 0.02 0.00 0.00 177.57 175.95 1a2j n GLN 97 N -4.61 0.68 -0.04 1.57 6.02 -0.12 -4.21 117.38 116.67 1a2j n GLN 97 Ca -0.11 0.15 -0.02 0.00 -0.01 0.00 0.00 57.00 57.01 1a2j n GLN 97 Cb 0.46 -1.62 -0.01 0.00 1.02 0.00 0.00 30.24 30.09 1a2j n GLN 97 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1a2j h LYS 98 N 0.01 0.00 0.00 -1.09 1.57 -0.74 -3.42 116.57 112.89 1a2j h LYS 98 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1a2j h LYS 98 Cb 2.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.39 1a2j h LYS 98 CO 0.03 0.00 -0.43 1.79 -0.57 0.00 0.00 179.45 180.27 1a2j h THR 99 N -0.54 0.00 -5.91 -0.16 1.35 -1.09 -3.48 112.91 103.07 1a2j h THR 99 Ca 0.00 -0.75 -0.41 0.00 -0.55 0.00 0.00 66.41 64.70 1a2j h THR 99 Cb 0.26 1.51 0.11 0.00 -1.73 0.00 0.00 68.15 68.31 1a2j h THR 99 CO 0.00 0.00 -0.70 0.00 -0.25 0.00 0.00 175.52 174.57 1a2j n GLN 100 N -2.55 -7.56 0.06 4.72 6.02 -0.75 -4.92 117.38 112.41 1a2j n GLN 100 Ca 0.03 0.79 0.07 0.00 -0.01 0.00 0.00 57.00 57.88 1a2j n GLN 100 Cb 0.49 -5.82 -0.05 0.00 1.02 0.00 0.00 30.24 25.88 1a2j n GLN 100 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1a2j n THR 101 N -4.93 0.81 -3.23 5.09 -2.24 0.44 -4.77 114.28 105.45 1a2j n THR 101 Ca 0.00 -0.61 -0.44 0.00 -2.27 0.00 0.00 64.05 60.74 1a2j n THR 101 Cb 0.56 -0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 68.24 1a2j n THR 101 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1a2j s ILE 102 N -3.19 4.99 0.00 2.28 1.01 -1.04 -4.86 121.20 120.39 1a2j s ILE 102 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1a2j s ILE 102 Cb 0.09 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1a2j s ILE 102 CO 0.81 -0.64 0.24 0.54 0.00 0.00 0.00 174.94 175.88 1a2j n ARG 103 N 5.87 1.86 -3.95 2.79 1.74 -1.26 -4.74 116.66 118.96 1a2j n ARG 103 Ca -0.07 -0.24 -0.10 0.00 -0.77 0.00 0.00 57.85 56.67 1a2j n ARG 103 Cb 0.46 -0.70 -0.03 0.00 -1.02 0.00 0.00 32.46 31.17 1a2j n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1a2j s SER 104 N -0.33 0.07 0.27 0.55 1.04 -1.26 -4.98 113.70 109.06 1a2j s SER 104 Ca 0.00 -1.01 -0.04 0.00 0.48 0.00 0.00 55.95 55.38 1a2j s SER 104 Cb 0.00 0.68 0.35 0.00 0.10 0.00 0.00 66.02 67.15 1a2j s SER 104 CO 0.00 -1.31 1.94 0.00 0.98 0.00 0.00 173.24 174.85 1a2j h ALA 105 N 2.13 1.35 -0.12 5.32 0.00 -1.98 -1.75 119.26 124.21 1a2j h ALA 105 Ca -0.26 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1a2j h ALA 105 Cb 1.25 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1a2j h ALA 105 CO 0.34 0.59 -0.41 0.66 0.00 0.00 0.00 179.25 180.44 1a2j h SER 106 N 1.24 0.29 -0.50 0.00 4.64 -1.99 -1.61 113.55 115.62 1a2j h SER 106 Ca 0.35 -0.12 -0.07 0.00 -0.47 0.00 0.00 61.79 61.47 1a2j h SER 106 Cb -0.12 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 1a2j h SER 106 CO -0.08 0.67 0.05 0.44 -0.87 0.00 0.00 176.83 177.04 1a2j h ASP 107 N 0.23 0.87 -0.58 4.97 3.32 -1.71 -0.84 116.42 122.68 1a2j h ASP 107 Ca 0.02 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 1a2j h ASP 107 Cb 0.82 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1a2j h ASP 107 CO 0.07 0.90 0.19 0.40 -1.72 0.00 0.00 179.24 179.08 1a2j h ILE 108 N 0.85 1.24 -0.52 0.35 2.04 -0.95 -2.61 117.51 117.90 1a2j h ILE 108 Ca 0.17 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.26 1a2j h ILE 108 Cb 0.44 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1a2j h ILE 108 CO 0.02 0.30 0.32 -0.09 0.00 0.00 0.00 178.15 178.69 1a2j h ARG 109 N 0.81 0.62 -0.99 2.37 2.43 -0.63 -1.82 114.38 117.16 1a2j h ARG 109 Ca 0.19 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.41 1a2j h ARG 109 Cb 0.26 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.60 1a2j h ARG 109 CO -0.01 0.41 0.64 -0.44 -1.51 0.00 0.00 179.97 179.06 1a2j h ASP 110 N 0.64 0.98 -0.30 -3.80 3.32 -0.87 -1.32 116.42 115.06 1a2j h ASP 110 Ca 0.21 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1a2j h ASP 110 Cb 0.01 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1a2j h ASP 110 CO -0.09 0.58 0.19 0.58 -1.72 0.00 0.00 179.24 178.79 1a2j h VAL 111 N 1.09 1.10 -0.45 -1.35 2.07 -0.98 -0.32 116.25 117.40 1a2j h VAL 111 Ca 0.45 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.72 1a2j h VAL 111 Cb 0.31 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1a2j h VAL 111 CO -0.21 0.10 0.12 -0.26 0.02 0.00 0.00 177.57 177.34 1a2j h PHE 112 N 0.40 0.76 -0.43 1.57 -1.00 -0.99 -1.89 116.94 115.34 1a2j h PHE 112 Ca 0.11 -0.09 0.01 0.00 2.81 0.00 0.00 57.97 60.81 1a2j h PHE 112 Cb -0.01 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.31 1a2j h PHE 112 CO -0.05 0.69 0.28 0.82 -1.61 0.00 0.00 178.31 178.44 1a2j h ILE 113 N 0.60 1.09 -0.01 -0.55 2.04 -1.03 -1.17 117.51 118.48 1a2j h ILE 113 Ca 0.14 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1a2j h ILE 113 Cb 0.31 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1a2j h ILE 113 CO -0.00 0.10 -0.12 -1.13 0.00 0.00 0.00 178.15 177.01 1a2j h ASN 114 N 0.57 0.02 0.54 1.72 -1.24 -0.93 -1.01 115.58 115.25 1a2j h ASN 114 Ca 0.16 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1a2j h ASN 114 Cb -0.05 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.00 1a2j h ASN 114 CO -0.05 0.14 0.00 0.00 -1.29 0.00 0.00 177.43 176.23 1a2j n ALA 115 N -2.51 2.16 0.00 1.57 0.00 -0.50 -4.88 120.51 116.34 1a2j n ALA 115 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1a2j n ALA 115 Cb 0.20 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1a2j n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a2j n GLY 116 N 0.75 1.14 3.66 0.00 0.00 -0.38 -5.06 105.19 105.30 1a2j n GLY 116 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1a2j n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a2j s ILE 117 N -2.00 4.81 0.44 -0.61 1.01 -0.85 -4.99 121.20 119.01 1a2j s ILE 117 Ca 0.00 1.74 -0.26 0.00 0.00 0.00 0.00 60.65 62.14 1a2j s ILE 117 Cb 0.00 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.20 1a2j s ILE 117 CO 0.00 -0.05 1.43 -1.59 0.00 0.00 0.00 174.94 174.73 1a2j s LYS 118 N 2.57 3.73 0.17 2.79 0.00 -1.26 -3.70 119.74 124.04 1a2j s LYS 118 Ca 0.40 2.44 -0.15 0.00 0.00 0.00 0.00 55.97 58.65 1a2j s LYS 118 Cb -0.16 -2.69 0.12 0.00 0.00 0.00 0.00 37.83 35.10 1a2j s LYS 118 CO 0.10 -0.79 1.71 0.78 0.00 0.00 0.00 175.35 177.15 1a2j h GLY 119 N 2.39 0.45 0.88 0.59 0.00 -1.95 -0.69 103.07 104.74 1a2j h GLY 119 Ca -0.51 0.02 0.03 0.00 0.00 0.00 0.00 47.33 46.87 1a2j h GLY 119 CO 0.61 -0.08 0.51 1.05 0.00 0.00 0.00 176.54 178.64 1a2j h GLU 120 N 0.15 0.97 -0.73 4.80 -0.00 -1.99 0.11 114.58 117.89 1a2j h GLU 120 Ca 0.20 -0.06 -0.03 0.00 -0.00 0.00 0.00 59.36 59.47 1a2j h GLU 120 Cb 0.27 -0.22 -0.03 0.00 -0.00 0.00 0.00 28.75 28.77 1a2j h GLU 120 CO -0.30 0.64 0.32 1.49 -0.00 0.00 0.00 179.01 181.16 1a2j h GLU 121 N 1.00 1.08 -0.13 1.06 4.81 -1.74 0.71 114.58 121.38 1a2j h GLU 121 Ca 0.32 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1a2j h GLU 121 Cb 0.01 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 1a2j h GLU 121 CO -0.11 0.87 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.10 1a2j h TYR 122 N 1.04 0.25 -0.57 0.92 3.20 -0.53 -1.57 116.97 119.72 1a2j h TYR 122 Ca 0.25 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1a2j h TYR 122 Cb 0.17 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1a2j h TYR 122 CO 0.01 0.49 0.23 -0.44 -1.64 0.00 0.00 178.16 176.82 1a2j h ASP 123 N -0.06 0.74 0.15 -2.11 3.32 -0.76 0.18 116.42 117.88 1a2j h ASP 123 Ca 0.03 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1a2j h ASP 123 Cb 0.40 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1a2j h ASP 123 CO 0.01 0.67 -0.07 0.00 -1.72 0.00 0.00 179.24 178.12 1a2j h ALA 124 N 1.45 -0.20 -0.88 3.45 0.00 -0.77 -3.03 119.26 119.27 1a2j h ALA 124 Ca 0.19 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1a2j h ALA 124 Cb 0.15 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1a2j h ALA 124 CO -0.02 -0.49 0.58 0.00 0.00 0.00 0.00 179.25 179.32 1a2j h ALA 125 N 0.34 1.14 -0.89 0.00 0.00 -0.92 -2.22 119.26 116.71 1a2j h ALA 125 Ca -0.02 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1a2j h ALA 125 Cb 0.36 -0.34 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 1a2j h ALA 125 CO 0.03 0.48 0.50 2.35 0.00 0.00 0.00 179.25 182.61 1a2j h TRP 126 N 1.16 0.89 -0.51 0.00 2.91 -0.58 -1.16 115.95 118.66 1a2j h TRP 126 Ca 0.34 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.39 1a2j h TRP 126 Cb -0.08 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.31 1a2j h TRP 126 CO -0.01 0.27 0.00 0.09 -1.03 0.00 0.00 178.44 177.76 1a2j n ASN 127 N -4.78 3.20 -4.80 2.65 3.02 -0.96 -4.78 115.26 108.80 1a2j n ASN 127 Ca 0.17 -1.97 -0.31 0.00 -0.03 0.00 0.00 54.58 52.45 1a2j n ASN 127 Cb 0.40 -0.34 0.07 0.00 -0.61 0.00 0.00 39.78 39.31 1a2j n ASN 127 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1a2j s SER 128 N -1.20 4.90 0.14 6.41 1.04 -0.44 -4.94 113.70 119.62 1a2j s SER 128 Ca 0.40 1.53 -0.13 0.00 0.48 0.00 0.00 55.95 58.24 1a2j s SER 128 Cb 0.22 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.99 1a2j s SER 128 CO 0.29 -1.74 1.54 0.15 0.98 0.00 0.00 173.24 174.47 1a2j h PHE 129 N -0.92 0.95 -0.77 5.02 3.57 -1.91 -2.14 116.94 120.74 1a2j h PHE 129 Ca -0.45 -0.21 0.05 0.00 3.53 0.00 0.00 57.97 60.89 1a2j h PHE 129 Cb 1.23 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.69 1a2j h PHE 129 CO 0.56 0.96 0.47 0.28 -2.23 0.00 0.00 178.31 178.34 1a2j h VAL 130 N 0.68 1.04 -0.30 1.41 2.07 -1.93 -0.42 116.25 118.81 1a2j h VAL 130 Ca 0.11 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 67.21 1a2j h VAL 130 Cb 0.65 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1a2j h VAL 130 CO 0.04 0.16 -0.27 0.58 0.02 0.00 0.00 177.57 178.11 1a2j h VAL 131 N 0.87 1.30 -0.85 2.57 2.07 -1.76 -0.47 116.25 119.98 1a2j h VAL 131 Ca 0.33 -1.43 0.04 0.00 0.82 0.00 0.00 66.70 66.46 1a2j h VAL 131 Cb 0.12 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1a2j h VAL 131 CO -0.15 0.46 0.54 0.11 0.02 0.00 0.00 177.57 178.55 1a2j h LYS 132 N 0.45 1.00 -0.25 1.57 6.56 -0.97 0.27 116.57 125.21 1a2j h LYS 132 Ca 0.05 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.56 1a2j h LYS 132 Cb 0.83 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 32.26 1a2j h LYS 132 CO 0.07 0.66 0.06 1.03 -2.06 0.00 0.00 179.45 179.22 1a2j h SER 133 N 1.03 0.37 -0.81 0.86 0.87 -0.93 -2.54 113.55 112.41 1a2j h SER 133 Ca 0.35 -0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1a2j h SER 133 Cb 0.06 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 1a2j h SER 133 CO -0.13 0.50 0.53 -0.07 -0.53 0.00 0.00 176.83 177.13 1a2j h LEU 134 N 0.23 0.92 -0.31 2.23 4.07 -0.18 0.10 115.31 122.36 1a2j h LEU 134 Ca 0.08 -0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.04 1a2j h LEU 134 Cb 0.27 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 1a2j h LEU 134 CO 0.00 0.65 0.17 0.58 -1.08 0.00 0.00 178.44 178.76 1a2j h VAL 135 N 1.08 1.01 -0.71 1.22 2.07 -0.85 -0.84 116.25 119.23 1a2j h VAL 135 Ca 0.31 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.65 1a2j h VAL 135 Cb -0.09 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1a2j h VAL 135 CO -0.08 0.06 0.22 0.00 0.02 0.00 0.00 177.57 177.79 1a2j h ALA 136 N 1.15 0.93 -0.62 1.67 0.00 -0.99 -2.76 119.26 118.65 1a2j h ALA 136 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1a2j h ALA 136 Cb 0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1a2j h ALA 136 CO -0.07 0.61 0.37 1.96 0.00 0.00 0.00 179.25 182.12 1a2j h GLN 137 N 1.05 0.84 -0.39 0.00 4.20 -0.35 -0.95 115.11 119.51 1a2j h GLN 137 Ca 0.23 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1a2j h GLN 137 Cb 0.31 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1a2j h GLN 137 CO -0.01 0.61 0.24 1.96 -0.67 0.00 0.00 178.83 180.97 1a2j h GLN 138 N 0.84 0.53 -0.38 1.46 4.20 -0.92 0.01 115.11 120.85 1a2j h GLN 138 Ca 0.22 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.73 1a2j h GLN 138 Cb -0.01 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1a2j h GLN 138 CO -0.04 0.38 -0.39 1.49 -0.67 0.00 0.00 178.83 179.60 1a2j h GLU 139 N 0.52 0.94 -0.55 1.46 4.81 -1.36 -2.72 114.58 117.68 1a2j h GLU 139 Ca 0.14 -0.50 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 1a2j h GLU 139 Cb -0.02 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1a2j h GLU 139 CO -0.03 1.15 0.30 -0.22 -0.73 0.00 0.00 179.01 179.49 1a2j h LYS 140 N 0.76 0.77 -0.84 1.92 3.11 -0.98 -1.79 116.57 119.52 1a2j h LYS 140 Ca 0.06 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 1a2j h LYS 140 Cb 0.99 -0.15 -0.04 0.00 -1.00 0.00 0.00 32.23 32.03 1a2j h LYS 140 CO 0.10 0.59 0.48 0.00 -2.81 0.00 0.00 179.45 177.81 1a2j h ALA 141 N 1.13 1.07 -0.60 5.00 0.00 -0.95 -0.47 119.26 124.45 1a2j h ALA 141 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1a2j h ALA 141 Cb 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1a2j h ALA 141 CO -0.03 0.56 0.33 0.00 0.00 0.00 0.00 179.25 180.11 1a2j h ALA 142 N 1.25 0.77 -0.53 0.00 0.00 -1.14 -2.55 119.26 117.07 1a2j h ALA 142 Ca 0.30 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1a2j h ALA 142 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1a2j h ALA 142 CO -0.05 0.29 -0.01 0.00 0.00 0.00 0.00 179.25 179.48 1a2j h ALA 143 N 1.15 0.99 -0.17 0.00 0.00 -0.85 -1.39 119.26 118.99 1a2j h ALA 143 Ca 0.21 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1a2j h ALA 143 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1a2j h ALA 143 CO -0.03 0.62 -0.03 -0.44 0.00 0.00 0.00 179.25 179.36 1a2j h ASP 144 N 0.84 0.23 -0.64 0.00 3.32 -0.71 -2.11 116.42 117.35 1a2j h ASP 144 Ca 0.15 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1a2j h ASP 144 Cb 0.51 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1a2j h ASP 144 CO 0.03 0.30 0.00 1.33 -1.72 0.00 0.00 179.24 179.18 1a2j n VAL 145 N -4.36 0.85 -3.83 -1.35 0.24 -0.99 -4.86 118.33 104.02 1a2j n VAL 145 Ca -0.00 -0.92 -0.26 0.00 -2.04 0.00 0.00 64.34 61.12 1a2j n VAL 145 Cb 0.20 0.64 0.02 0.00 -1.47 0.00 0.00 33.84 33.22 1a2j n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a2j n GLN 146 N 1.62 -4.90 -2.18 7.34 0.00 -0.79 -4.90 117.38 113.56 1a2j n GLN 146 Ca 0.23 0.58 -0.42 0.00 0.00 0.00 0.00 57.00 57.39 1a2j n GLN 146 Cb 0.62 -5.22 -0.03 0.00 0.00 0.00 0.00 30.24 25.61 1a2j n GLN 146 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1a2j s LEU 147 N -6.97 4.37 0.00 2.61 2.96 -0.57 -4.90 118.68 116.19 1a2j s LEU 147 Ca 0.28 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.51 1a2j s LEU 147 Cb -0.14 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1a2j s LEU 147 CO 0.83 -0.64 0.02 0.54 -1.32 0.00 0.00 176.35 175.78 1a2j n ARG 148 N 3.90 4.95 -3.53 1.98 1.74 -1.26 -4.91 116.66 119.52 1a2j n ARG 148 Ca 0.11 -0.02 -0.16 0.00 -0.77 0.00 0.00 57.85 57.02 1a2j n ARG 148 Cb 0.42 -0.39 -0.05 0.00 -1.02 0.00 0.00 32.46 31.42 1a2j n ARG 148 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1a2j s GLY 149 N -0.71 -0.53 0.16 -0.13 0.00 -1.26 -5.17 107.32 99.67 1a2j s GLY 149 Ca 0.00 0.98 0.07 0.00 0.00 0.00 0.00 44.72 45.77 1a2j s GLY 149 CO 0.00 0.65 -0.15 -1.34 0.00 0.00 0.00 173.10 172.26 1a2j s VAL 150 N -1.86 1.55 0.61 1.40 -7.23 -1.26 -4.43 120.40 109.19 1a2j s VAL 150 Ca -0.08 -1.94 -0.16 0.00 -1.81 0.00 0.00 61.98 57.99 1a2j s VAL 150 Cb -0.01 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 1a2j s VAL 150 CO 0.04 -0.47 1.08 -2.16 -0.31 0.00 0.00 175.10 173.27 1a2j s PRO 151 N -3.08 3.16 0.02 4.82 0.04 -1.26 -4.81 135.00 133.89 1a2j s PRO 151 Ca 0.15 1.28 -0.17 0.00 0.04 0.00 0.00 61.00 62.30 1a2j s PRO 151 Cb -0.03 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1a2j s PRO 151 CO 0.05 -0.95 0.38 0.00 0.04 0.00 0.00 177.00 176.52 1a2j s ALA 152 N -2.39 -0.93 -0.01 8.56 0.00 -1.05 -4.99 121.76 120.95 1a2j s ALA 152 Ca 0.65 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 1a2j s ALA 152 Cb -0.18 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1a2j s ALA 152 CO 0.38 -0.38 0.03 1.41 0.00 0.00 0.00 175.76 177.20 1a2j s MET 153 N -2.04 0.02 0.02 0.00 1.75 -1.26 -0.89 119.30 116.89 1a2j s MET 153 Ca -0.08 0.08 0.06 0.00 -1.25 0.00 0.00 55.69 54.50 1a2j s MET 153 Cb -0.02 -0.05 -0.02 0.00 2.84 0.00 0.00 34.83 37.58 1a2j s MET 153 CO 0.00 -0.04 -0.17 -0.06 -0.65 0.00 0.00 175.02 174.10 1a2j s PHE 154 N 0.28 1.51 -0.09 4.11 0.40 0.48 -1.24 117.98 123.44 1a2j s PHE 154 Ca -0.02 -0.32 0.03 0.00 -0.60 0.00 0.00 56.93 56.01 1a2j s PHE 154 Cb -0.03 -0.93 -0.01 0.00 0.51 0.00 0.00 43.02 42.56 1a2j s PHE 154 CO -0.01 0.02 -0.19 0.08 0.70 0.00 0.00 175.22 175.82 1a2j s VAL 155 N -0.62 2.51 -1.00 -0.44 1.01 0.11 -0.71 120.40 121.25 1a2j s VAL 155 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1a2j s VAL 155 Cb -0.07 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1a2j s VAL 155 CO 0.01 0.55 0.00 0.59 0.00 0.00 0.00 175.10 176.25 1a2j n ASN 156 N 3.25 -3.44 -1.87 3.32 3.02 0.85 -1.00 115.26 119.38 1a2j n ASN 156 Ca -0.18 0.24 -0.14 0.00 -0.03 0.00 0.00 54.58 54.46 1a2j n ASN 156 Cb 0.53 -3.02 -0.04 0.00 -0.61 0.00 0.00 39.78 36.64 1a2j n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a2j n GLY 157 N -0.64 0.53 0.00 7.41 0.00 -1.26 -4.72 105.19 106.50 1a2j n GLY 157 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1a2j n GLY 157 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a2j n LYS 158 N -2.36 1.73 -4.76 1.61 4.81 -0.17 -0.53 118.16 118.50 1a2j n LYS 158 Ca -0.16 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 56.96 1a2j n LYS 158 Cb 0.54 -0.76 -0.13 0.00 0.02 0.00 0.00 35.03 34.71 1a2j n LYS 158 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1a2j s TYR 159 N -1.52 2.68 -0.16 5.64 2.02 -0.70 -1.00 117.35 124.32 1a2j s TYR 159 Ca 0.00 -0.17 -0.01 0.00 -0.37 0.00 0.00 57.07 56.52 1a2j s TYR 159 Cb 0.00 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 39.98 1a2j s TYR 159 CO 0.00 0.23 -0.13 -1.14 -1.57 0.00 0.00 175.55 172.95 1a2j s GLN 160 N -1.07 3.30 0.27 -0.62 0.74 0.29 -0.72 119.66 121.85 1a2j s GLN 160 Ca 0.13 -0.71 -0.30 0.00 0.05 0.00 0.00 55.36 54.54 1a2j s GLN 160 Cb -0.11 -2.69 -0.10 0.00 1.10 0.00 0.00 33.01 31.21 1a2j s GLN 160 CO 0.03 0.05 1.45 -0.51 -0.55 0.00 0.00 175.29 175.76 1a2j s LEU 161 N 0.77 4.38 -0.55 3.68 2.01 -0.37 -0.81 118.68 127.79 1a2j s LEU 161 Ca -0.05 2.72 0.04 0.00 0.01 0.00 0.00 54.13 56.85 1a2j s LEU 161 Cb -0.15 -3.63 0.14 0.00 0.01 0.00 0.00 46.19 42.56 1a2j s LEU 161 CO 0.01 -0.72 0.30 0.21 1.01 0.00 0.00 176.35 177.16 1a2j s ASN 162 N 0.28 4.40 0.48 2.29 2.47 0.98 -4.75 114.94 121.09 1a2j s ASN 162 Ca 0.59 -3.16 0.16 0.00 0.42 0.00 0.00 52.86 50.87 1a2j s ASN 162 Cb -0.43 -1.64 1.18 0.00 -1.45 0.00 0.00 41.25 38.91 1a2j s ASN 162 CO 0.46 -0.21 2.06 1.55 -3.72 0.00 0.00 177.10 177.24 1a2j h PRO 163 N 6.31 0.18 0.00 0.43 0.13 -1.88 -1.99 132.00 135.18 1a2j h PRO 163 Ca -0.04 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1a2j h PRO 163 Cb 0.87 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1a2j h PRO 163 CO 0.69 0.12 -0.02 1.96 -0.23 0.00 0.00 178.00 180.53 1a2j h GLN 164 N 0.18 0.00 -0.63 0.86 4.20 -1.93 -1.60 115.11 116.19 1a2j h GLN 164 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1a2j h GLN 164 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1a2j h GLN 164 CO -0.02 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 178.56 1a2j n GLY 165 N -0.96 2.21 3.96 3.46 0.00 -0.75 -4.96 105.19 108.15 1a2j n GLY 165 Ca -0.02 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 1a2j n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a2j s MET 166 N -1.16 3.42 -0.43 1.61 -1.94 -0.60 -4.05 119.30 116.14 1a2j s MET 166 Ca 0.46 -0.60 -0.28 0.00 -1.71 0.00 0.00 55.69 53.56 1a2j s MET 166 Cb 0.25 -2.78 -0.01 0.00 2.01 0.00 0.00 34.83 34.29 1a2j s MET 166 CO 0.33 0.26 1.71 0.34 -0.01 0.00 0.00 175.02 177.65 1a2j s ASP 167 N -4.03 5.85 -0.35 3.03 2.15 -1.26 -4.85 116.67 117.21 1a2j s ASP 167 Ca 0.38 0.91 0.08 0.00 0.43 0.00 0.00 52.55 54.35 1a2j s ASP 167 Cb -0.09 -2.53 0.63 0.00 -0.30 0.00 0.00 42.92 40.63 1a2j s ASP 167 CO 0.32 -1.81 1.71 0.35 -0.17 0.00 0.00 175.17 175.58 1a2j n THR 168 N 7.26 2.87 0.49 1.71 -2.24 -1.26 -3.31 114.28 119.80 1a2j n THR 168 Ca 0.20 -2.10 0.09 0.00 -2.27 0.00 0.00 64.05 59.98 1a2j n THR 168 Cb 0.48 -0.38 0.39 0.00 -2.10 0.00 0.00 70.33 68.73 1a2j n THR 168 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1a2j n SER 169 N -0.84 0.26 -3.59 3.42 3.41 -1.26 -4.75 113.62 110.27 1a2j n SER 169 Ca 0.44 0.56 -0.15 0.00 -0.26 0.00 0.00 58.87 59.46 1a2j n SER 169 Cb 1.35 -0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 64.62 1a2j n SER 169 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1a2j s ASN 170 N -3.48 -0.67 0.21 4.04 3.84 -1.26 -5.05 114.94 112.57 1a2j s ASN 170 Ca 0.06 1.08 -0.09 0.00 0.21 0.00 0.00 52.86 54.13 1a2j s ASN 170 Cb 0.10 1.02 0.27 0.00 -0.55 0.00 0.00 41.25 42.09 1a2j s ASN 170 CO 0.33 -0.38 1.78 0.24 -2.79 0.00 0.00 177.10 176.28 1a2j h MET 171 N 4.07 0.54 -0.42 0.43 2.86 -1.95 -1.71 114.93 118.75 1a2j h MET 171 Ca -0.28 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.19 1a2j h MET 171 Cb 1.15 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 1a2j h MET 171 CO 0.19 0.36 -0.29 -0.44 1.06 0.00 0.00 176.91 177.79 1a2j h ASP 172 N 0.56 0.96 -0.64 1.22 3.32 -1.97 -2.31 116.42 117.55 1a2j h ASP 172 Ca 0.31 -0.39 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1a2j h ASP 172 Cb 0.30 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1a2j h ASP 172 CO -0.24 1.17 0.09 0.58 -1.72 0.00 0.00 179.24 179.12 1a2j h VAL 173 N 0.78 1.26 0.46 -1.35 2.07 -1.81 -1.46 116.25 116.20 1a2j h VAL 173 Ca 0.09 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 1a2j h VAL 173 Cb 0.86 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1a2j h VAL 173 CO 0.08 0.39 -0.22 0.15 0.02 0.00 0.00 177.57 177.98 1a2j h PHE 174 N 1.01 -0.58 -0.20 1.57 3.57 -1.21 0.47 116.94 121.56 1a2j h PHE 174 Ca 0.20 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.73 1a2j h PHE 174 Cb 0.45 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1a2j h PHE 174 CO 0.03 -0.32 -0.14 0.28 -2.23 0.00 0.00 178.31 175.94 1a2j h VAL 175 N -0.71 0.60 -0.92 1.41 2.07 -1.35 0.01 116.25 117.37 1a2j h VAL 175 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1a2j h VAL 175 Cb 0.52 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1a2j h VAL 175 CO 0.10 0.00 0.53 -0.61 0.02 0.00 0.00 177.57 177.62 1a2j h GLN 176 N -0.13 1.26 -0.23 1.57 5.75 -1.20 -1.77 115.11 120.35 1a2j h GLN 176 Ca 0.12 -0.13 -0.11 0.00 -0.15 0.00 0.00 58.65 58.39 1a2j h GLN 176 Cb 0.31 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1a2j h GLN 176 CO -0.28 0.89 -0.31 0.37 -2.65 0.00 0.00 178.83 176.85 1a2j h GLN 177 N 1.27 0.48 0.33 1.69 4.15 -0.29 -0.82 115.11 121.92 1a2j h GLN 177 Ca 0.33 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1a2j h GLN 177 Cb -0.03 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1a2j h GLN 177 CO -0.06 0.74 -0.16 -0.92 -1.93 0.00 0.00 178.83 176.50 1a2j h TYR 178 N 0.41 -0.40 -0.87 3.99 5.03 -0.35 -0.54 116.97 124.23 1a2j h TYR 178 Ca 0.05 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.41 1a2j h TYR 178 Cb 0.75 0.13 -0.06 0.00 1.55 0.00 0.00 36.73 39.10 1a2j h TYR 178 CO 0.02 -0.18 0.55 0.00 -1.32 0.00 0.00 178.16 177.24 1a2j h ALA 179 N 0.10 1.19 -0.44 1.82 0.00 -1.23 -1.71 119.26 118.98 1a2j h ALA 179 Ca -0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1a2j h ALA 179 Cb 0.41 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1a2j h ALA 179 CO 0.07 0.33 -0.02 -0.44 0.00 0.00 0.00 179.25 179.19 1a2j h ASP 180 N 1.03 0.70 -0.34 0.00 3.32 -0.93 -1.83 116.42 118.36 1a2j h ASP 180 Ca 0.37 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 1a2j h ASP 180 Cb 0.12 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1a2j h ASP 180 CO -0.16 0.78 -0.12 0.74 -1.72 0.00 0.00 179.24 178.77 1a2j h THR 181 N 0.68 1.28 -0.37 0.35 2.02 -0.25 -0.70 112.91 115.93 1a2j h THR 181 Ca 0.13 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 1a2j h THR 181 Cb 0.45 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1a2j h THR 181 CO 0.02 0.39 0.22 0.58 0.37 0.00 0.00 175.52 177.10 1a2j h VAL 182 N 0.46 1.12 -0.49 3.16 2.07 -1.19 0.06 116.25 121.44 1a2j h VAL 182 Ca 0.08 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1a2j h VAL 182 Cb 0.63 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1a2j h VAL 182 CO 0.04 0.12 0.27 0.11 0.02 0.00 0.00 177.57 178.14 1a2j h LYS 183 N 0.48 0.53 -0.30 1.57 1.57 -1.23 -0.10 116.57 119.09 1a2j h LYS 183 Ca 0.13 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1a2j h LYS 183 Cb 0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1a2j h LYS 183 CO -0.02 0.35 0.19 -0.92 -0.57 0.00 0.00 179.45 178.47 1a2j h TYR 184 N 0.54 0.36 -0.35 -1.35 3.20 -0.70 -2.92 116.97 115.74 1a2j h TYR 184 Ca 0.21 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 1a2j h TYR 184 Cb 0.07 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 1a2j h TYR 184 CO -0.08 0.22 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.48 1a2j h LEU 185 N 0.39 0.59 -0.60 2.82 3.38 -0.47 -2.88 115.31 118.54 1a2j h LEU 185 Ca 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1a2j h LEU 185 Cb -0.03 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1a2j h LEU 185 CO -0.03 0.73 0.00 0.77 0.09 0.00 0.00 178.44 180.00 1a2j h SER 186 N 0.56 0.00 -0.01 -0.43 4.64 -0.85 -2.48 113.55 114.99 1a2j h SER 186 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1a2j h SER 186 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1a2j h SER 186 CO 0.03 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.37 1a2j n GLU 187 N -2.42 1.25 0.00 4.77 1.02 -1.09 -5.04 120.64 119.14 1a2j n GLU 187 Ca 0.03 -0.37 0.14 0.00 -0.02 0.00 0.00 57.16 56.94 1a2j n GLU 187 Cb 0.31 -1.49 0.45 0.00 -0.02 0.00 0.00 31.44 30.69 1a2j n GLU 187 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94