#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bsy s THR 4 N 0.00 2.37 0.10 0.55 -4.23 -1.26 -5.01 115.64 108.17 3bsy s THR 4 Ca 0.00 0.12 0.08 0.00 -1.18 0.00 0.00 61.69 60.71 3bsy s THR 4 Cb 0.00 -3.02 -0.18 0.00 1.34 0.00 0.00 72.50 70.64 3bsy s THR 4 CO 0.00 -0.16 1.31 -0.08 -0.54 0.00 0.00 174.62 175.15 3bsy h GLU 5 N -1.11 0.00 -6.20 3.99 4.22 -1.96 -3.46 114.58 110.06 3bsy h GLU 5 Ca -0.47 0.00 -0.52 0.00 0.08 0.00 0.00 59.36 58.45 3bsy h GLU 5 Cb 1.31 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 3bsy h GLU 5 CO 0.64 0.94 -0.56 -1.59 -2.18 0.00 0.00 179.01 176.27 3bsy s LYS 6 N -2.76 2.77 -0.09 1.92 0.00 -1.26 -1.19 119.74 119.13 3bsy s LYS 6 Ca 0.01 -1.14 -0.06 0.00 0.00 0.00 0.00 55.97 54.78 3bsy s LYS 6 Cb 0.10 -2.47 0.03 0.00 0.00 0.00 0.00 37.83 35.49 3bsy s LYS 6 CO 0.81 0.39 0.21 -1.50 0.00 0.00 0.00 175.35 175.27 3bsy s ILE 7 N -2.17 -0.02 -0.07 3.79 2.07 -0.60 -3.77 121.20 120.43 3bsy s ILE 7 Ca 0.32 0.07 -0.29 0.00 -1.41 0.00 0.00 60.65 59.34 3bsy s ILE 7 Cb -0.08 -0.32 -0.02 0.00 0.13 0.00 0.00 42.46 42.18 3bsy s ILE 7 CO 0.24 0.03 0.97 -0.31 -1.91 0.00 0.00 174.94 173.95 3bsy s TYR 8 N 0.59 3.56 -0.39 3.50 2.02 0.03 -0.50 117.35 126.16 3bsy s TYR 8 Ca -0.04 1.59 -0.07 0.00 -0.37 0.00 0.00 57.07 58.18 3bsy s TYR 8 Cb -0.05 -3.13 0.07 0.00 -0.40 0.00 0.00 41.96 38.45 3bsy s TYR 8 CO -0.03 -0.13 0.21 0.42 -1.57 0.00 0.00 175.55 174.44 3bsy s ILE 9 N 1.60 3.93 -0.45 2.71 -1.09 -0.33 -0.72 121.20 126.85 3bsy s ILE 9 Ca 0.48 -1.44 -0.29 0.00 -2.23 0.00 0.00 60.65 57.17 3bsy s ILE 9 Cb -0.19 -3.40 0.03 0.00 -1.58 0.00 0.00 42.46 37.31 3bsy s ILE 9 CO 0.21 -0.45 1.11 -0.47 -1.23 0.00 0.00 174.94 174.11 3bsy s TYR 10 N 1.37 2.88 0.00 3.97 5.04 0.09 -1.39 117.35 129.30 3bsy s TYR 10 Ca 0.02 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.41 3bsy s TYR 10 Cb -0.22 -4.28 0.00 0.00 0.35 0.00 0.00 41.96 37.81 3bsy s TYR 10 CO 0.01 -1.18 0.00 0.41 -1.34 0.00 0.00 175.55 173.45 3bsy n GLY 11 N 4.71 2.18 3.40 8.97 0.00 0.72 -0.06 105.19 125.11 3bsy n GLY 11 Ca 0.11 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 3bsy n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bsy n ALA 12 N 0.00 4.06 -3.80 4.61 0.00 -1.26 -3.62 120.51 120.50 3bsy n ALA 12 Ca 0.00 -4.41 -0.03 0.00 0.00 0.00 0.00 53.44 49.00 3bsy n ALA 12 Cb 0.00 -2.83 0.02 0.00 0.00 0.00 0.00 19.45 16.64 3bsy n ALA 12 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bsy n SER 13 N 4.47 -2.04 -0.28 0.00 3.41 -1.26 -4.86 113.62 113.07 3bsy n SER 13 Ca 0.32 -2.58 0.04 0.00 -0.26 0.00 0.00 58.87 56.40 3bsy n SER 13 Cb 0.41 3.44 0.26 0.00 -0.26 0.00 0.00 64.21 68.06 3bsy n SER 13 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3bsy h GLY 14 N 1.89 1.25 1.00 5.00 0.00 -1.97 -0.65 103.07 109.59 3bsy h GLY 14 Ca -0.31 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 3bsy h GLY 14 CO 0.40 0.29 0.42 1.12 0.00 0.00 0.00 176.54 178.76 3bsy h HIS 15 N 0.98 0.92 -0.85 5.60 -0.00 -1.90 -1.52 115.15 118.37 3bsy h HIS 15 Ca 0.37 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.75 3bsy h HIS 15 Cb 0.21 -0.30 -0.04 0.00 -0.00 0.00 0.00 27.41 27.27 3bsy h HIS 15 CO -0.00 0.62 0.56 0.78 -0.00 0.00 0.00 177.93 179.89 3bsy h GLY 16 N 0.95 1.21 0.92 6.13 0.00 -1.34 -2.14 103.07 108.81 3bsy h GLY 16 Ca 0.25 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 3bsy h GLY 16 CO -0.05 0.43 0.05 1.41 0.00 0.00 0.00 176.54 178.38 3bsy h LEU 17 N 1.14 0.60 -0.63 3.11 3.38 -0.76 0.45 115.31 122.62 3bsy h LEU 17 Ca 0.32 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3bsy h LEU 17 Cb -0.11 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3bsy h LEU 17 CO -0.07 0.72 0.41 0.58 0.09 0.00 0.00 178.44 180.17 3bsy h VAL 18 N 0.46 1.15 -0.88 1.22 2.07 -1.19 -0.92 116.25 118.16 3bsy h VAL 18 Ca 0.11 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3bsy h VAL 18 Cb 0.38 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3bsy h VAL 18 CO 0.01 0.15 0.45 0.00 0.02 0.00 0.00 177.57 178.20 3bsy h GLU 20 N 1.24 1.07 -0.69 0.00 4.81 -0.38 0.15 114.58 120.78 3bsy h GLU 20 Ca 0.30 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3bsy h GLU 20 Cb 0.08 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 3bsy h GLU 20 CO -0.04 0.76 0.44 -0.44 -0.73 0.00 0.00 179.01 178.99 3bsy h ASP 21 N 1.08 0.73 -0.44 1.04 3.32 -0.70 0.44 116.42 121.89 3bsy h ASP 21 Ca 0.28 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 3bsy h ASP 21 Cb -0.03 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3bsy h ASP 21 CO -0.05 0.51 0.10 0.58 -1.72 0.00 0.00 179.24 178.67 3bsy h VAL 22 N 0.87 1.23 -0.79 -1.35 2.07 -0.82 -1.16 116.25 116.31 3bsy h VAL 22 Ca 0.27 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 67.02 3bsy h VAL 22 Cb -0.02 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3bsy h VAL 22 CO -0.09 0.29 0.49 0.00 0.02 0.00 0.00 177.57 178.27 3bsy h ALA 23 N 0.96 1.06 -0.64 1.67 0.00 -0.25 -1.13 119.26 120.94 3bsy h ALA 23 Ca 0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3bsy h ALA 23 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3bsy h ALA 23 CO 0.00 0.25 0.08 1.57 0.00 0.00 0.00 179.25 181.15 3bsy h LYS 24 N 0.92 1.07 -0.92 0.00 2.10 -0.72 -1.87 116.57 117.15 3bsy h LYS 24 Ca 0.33 -0.30 0.09 0.00 -2.00 0.00 0.00 60.65 58.77 3bsy h LYS 24 Cb 0.10 -0.12 -0.07 0.00 -0.90 0.00 0.00 32.23 31.25 3bsy h LYS 24 CO -0.15 1.00 0.59 -0.97 -2.00 0.00 0.00 179.45 177.93 3bsy h ASN 25 N 0.98 0.86 1.07 7.07 -0.73 -0.49 -0.52 115.58 123.82 3bsy h ASN 25 Ca 0.19 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.38 3bsy h ASN 25 Cb 0.47 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.90 3bsy h ASN 25 CO 0.02 0.51 0.00 0.24 -0.37 0.00 0.00 177.43 177.83 3bsy h MET 26 N 0.96 0.00 0.00 6.67 2.86 -0.81 -3.46 114.93 121.14 3bsy h MET 26 Ca 0.42 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.06 3bsy h MET 26 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3bsy h MET 26 CO -0.18 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.20 3bsy n GLY 27 N 0.52 1.02 3.77 8.32 0.00 -0.20 -5.09 105.19 113.52 3bsy n GLY 27 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3bsy n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bsy s TYR 28 N -2.00 2.71 -0.06 1.61 2.02 -0.74 -4.93 117.35 115.96 3bsy s TYR 28 Ca 0.00 1.10 0.14 0.00 -0.37 0.00 0.00 57.07 57.93 3bsy s TYR 28 Cb 0.00 -3.98 -0.19 0.00 -0.40 0.00 0.00 41.96 37.39 3bsy s TYR 28 CO 0.00 -2.98 0.78 1.57 -1.57 0.00 0.00 175.55 173.35 3bsy h LYS 29 N 3.61 0.00 -2.75 -0.62 2.10 -1.48 -3.40 116.57 114.03 3bsy h LYS 29 Ca -0.49 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.02 3bsy h LYS 29 Cb 1.23 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 32.29 3bsy h LYS 29 CO 0.69 0.45 -0.34 -2.00 -2.00 0.00 0.00 179.45 176.25 3bsy s GLU 30 N -2.73 0.35 -0.20 0.07 2.12 -1.20 -5.06 118.70 112.06 3bsy s GLU 30 Ca -0.03 0.71 -0.06 0.00 0.36 0.00 0.00 54.97 55.94 3bsy s GLU 30 Cb 0.08 -0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.41 3bsy s GLU 30 CO 0.82 -0.15 0.03 0.00 -0.54 0.00 0.00 175.26 175.42 3bsy s ILE 32 N 0.89 4.37 0.23 0.00 1.01 0.34 -4.95 121.20 123.09 3bsy s ILE 32 Ca 0.02 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.40 3bsy s ILE 32 Cb -0.14 -3.48 -0.09 0.00 0.01 0.00 0.00 42.46 38.76 3bsy s ILE 32 CO 0.02 -0.26 0.92 -0.36 0.00 0.00 0.00 174.94 175.27 3bsy s PHE 33 N 1.51 3.98 -0.01 3.97 0.08 -1.26 -1.18 117.98 125.06 3bsy s PHE 33 Ca 0.01 1.88 0.03 0.00 0.12 0.00 0.00 56.93 58.98 3bsy s PHE 33 Cb -0.20 -2.96 -0.00 0.00 -0.57 0.00 0.00 43.02 39.29 3bsy s PHE 33 CO 0.05 0.46 -0.10 -0.51 -0.10 0.00 0.00 175.22 175.03 3bsy s LEU 34 N -1.15 1.94 -0.29 -0.37 1.43 -0.49 -4.48 118.68 115.28 3bsy s LEU 34 Ca 0.41 -0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 53.28 3bsy s LEU 34 Cb -0.26 -0.52 0.16 0.00 0.03 0.00 0.00 46.19 45.59 3bsy s LEU 34 CO 0.31 0.10 0.58 -0.62 0.23 0.00 0.00 176.35 176.96 3bsy s ASP 35 N -0.09 -1.05 0.58 2.29 -1.08 0.28 -0.20 116.67 117.39 3bsy s ASP 35 Ca 0.02 1.07 0.36 0.00 -0.52 0.00 0.00 52.55 53.48 3bsy s ASP 35 Cb -0.05 2.05 1.60 0.00 -1.46 0.00 0.00 42.92 45.06 3bsy s ASP 35 CO -0.00 -0.25 2.07 0.44 0.52 0.00 0.00 175.17 177.95 3bsy h ASP 36 N 8.03 0.00 0.05 -0.34 5.19 -1.80 0.83 116.42 128.37 3bsy h ASP 36 Ca -0.20 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 55.83 3bsy h ASP 36 Cb 1.13 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.58 3bsy h ASP 36 CO 0.19 0.01 -2.34 0.49 -3.12 0.00 0.00 179.24 174.46 3bsy n PHE 37 N -3.10 0.23 -0.14 4.55 3.01 -1.26 -4.78 117.46 115.97 3bsy n PHE 37 Ca -0.00 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.52 3bsy n PHE 37 Cb 0.25 -1.03 0.00 0.00 -0.01 0.00 0.00 39.48 38.69 3bsy n PHE 37 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3bsy n LYS 38 N -3.15 1.34 0.00 -1.08 4.01 -1.01 -5.08 118.16 113.20 3bsy n LYS 38 Ca -0.39 -1.03 0.00 0.00 -0.51 0.00 0.00 58.31 56.38 3bsy n LYS 38 Cb 1.05 -0.93 0.00 0.00 -0.51 0.00 0.00 35.03 34.63 3bsy n LYS 38 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3bsy n GLY 39 N -0.28 1.99 3.70 0.72 0.00 0.25 -4.87 105.19 106.71 3bsy n GLY 39 Ca 0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 3bsy n GLY 39 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3bsy s MET 40 N 1.75 4.28 0.36 1.61 -2.45 -1.25 -4.43 119.30 119.17 3bsy s MET 40 Ca 0.00 2.09 -0.27 0.00 -1.25 0.00 0.00 55.69 56.25 3bsy s MET 40 Cb 0.00 -3.46 -0.09 0.00 1.25 0.00 0.00 34.83 32.52 3bsy s MET 40 CO 0.00 -0.56 1.26 -1.59 1.05 0.00 0.00 175.02 175.18 3bsy s LYS 41 N 2.00 4.21 0.53 4.11 0.00 -1.26 -0.56 119.74 128.77 3bsy s LYS 41 Ca 0.66 2.10 -0.20 0.00 0.00 0.00 0.00 55.97 58.53 3bsy s LYS 41 Cb -0.35 -2.92 -0.06 0.00 0.00 0.00 0.00 37.83 34.50 3bsy s LYS 41 CO 0.29 -0.27 1.15 0.12 0.00 0.00 0.00 175.35 176.65 3bsy s PHE 42 N -1.23 2.66 0.01 1.78 5.36 -1.26 -4.89 117.98 120.41 3bsy s PHE 42 Ca 0.52 1.53 0.02 0.00 -0.96 0.00 0.00 56.93 58.04 3bsy s PHE 42 Cb -0.37 -3.35 -0.01 0.00 -0.34 0.00 0.00 43.02 38.95 3bsy s PHE 42 CO 0.48 -1.69 -0.05 -1.83 -1.46 0.00 0.00 175.22 170.67 3bsy s GLU 43 N -3.16 0.42 0.00 10.12 4.04 -1.26 -5.04 118.70 123.82 3bsy s GLU 43 Ca 0.72 -0.35 0.19 0.00 0.04 0.00 0.00 54.97 55.57 3bsy s GLU 43 Cb -0.26 -0.33 1.07 0.00 0.02 0.00 0.00 34.13 34.63 3bsy s GLU 43 CO 0.30 0.08 1.57 -1.13 -1.84 0.00 0.00 175.26 174.24 3bsy n SER 44 N 2.48 0.00 -0.80 0.83 3.41 -1.26 -2.43 113.62 115.85 3bsy n SER 44 Ca -0.16 -0.33 0.07 0.00 -0.26 0.00 0.00 58.87 58.20 3bsy n SER 44 Cb 0.57 -0.13 0.17 0.00 -0.26 0.00 0.00 64.21 64.57 3bsy n SER 44 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3bsy n THR 45 N -1.13 0.79 -1.72 6.66 -2.24 -1.26 -5.00 114.28 110.37 3bsy n THR 45 Ca 0.12 -0.89 -0.39 0.00 -2.27 0.00 0.00 64.05 60.61 3bsy n THR 45 Cb 0.10 0.67 0.03 0.00 -2.10 0.00 0.00 70.33 69.04 3bsy n THR 45 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3bsy n LEU 46 N 0.85 4.86 -4.64 3.22 4.77 -1.02 -4.96 117.00 120.08 3bsy n LEU 46 Ca 0.14 1.03 -0.41 0.00 -0.03 0.00 0.00 56.01 56.74 3bsy n LEU 46 Cb 0.46 -1.54 0.02 0.00 -2.33 0.00 0.00 43.42 40.03 3bsy n LEU 46 CO 0.10 -0.63 0.68 -2.65 -1.33 0.00 0.00 177.39 173.57 3bsy n PRO 47 N -0.55 1.48 -2.51 3.23 -0.02 -1.26 -4.91 135.00 130.45 3bsy n PRO 47 Ca 0.09 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3bsy n PRO 47 Cb 0.43 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 3bsy n PRO 47 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3bsy s LYS 48 N -2.20 3.33 0.39 -0.52 0.00 -1.26 -5.00 119.74 114.48 3bsy s LYS 48 Ca 0.64 0.14 0.07 0.00 0.00 0.00 0.00 55.97 56.82 3bsy s LYS 48 Cb -0.52 -4.11 -0.08 0.00 0.00 0.00 0.00 37.83 33.13 3bsy s LYS 48 CO 0.56 -1.93 0.00 0.71 0.00 0.00 0.00 175.35 174.69 3bsy s TYR 49 N 5.60 2.41 0.46 1.78 2.02 -1.26 -5.11 117.35 123.25 3bsy s TYR 49 Ca 0.43 -0.69 -0.21 0.00 -0.37 0.00 0.00 57.07 56.22 3bsy s TYR 49 Cb -0.09 -1.65 -0.11 0.00 -0.40 0.00 0.00 41.96 39.72 3bsy s TYR 49 CO 0.22 0.40 0.63 -0.25 -1.57 0.00 0.00 175.55 174.97 3bsy n ASP 50 N -0.90 -0.53 -4.23 2.29 8.00 -1.25 -4.62 116.55 115.31 3bsy n ASP 50 Ca -0.05 0.88 -0.22 0.00 0.71 0.00 0.00 54.79 56.11 3bsy n ASP 50 Cb 0.66 -1.17 -0.13 0.00 -0.02 0.00 0.00 41.12 40.46 3bsy n ASP 50 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3bsy s PHE 51 N -1.50 1.56 -0.03 1.24 5.36 -0.25 -0.79 117.98 123.57 3bsy s PHE 51 Ca 0.65 -0.41 -0.03 0.00 -0.96 0.00 0.00 56.93 56.18 3bsy s PHE 51 Cb -0.55 -0.89 0.01 0.00 -0.34 0.00 0.00 43.02 41.25 3bsy s PHE 51 CO 0.57 0.12 0.08 0.12 -1.46 0.00 0.00 175.22 174.65 3bsy s PHE 52 N -1.06 -0.09 -0.56 10.12 5.36 0.10 -1.58 117.98 130.26 3bsy s PHE 52 Ca 0.04 0.21 -0.17 0.00 -0.96 0.00 0.00 56.93 56.05 3bsy s PHE 52 Cb -0.09 0.03 0.12 0.00 -0.34 0.00 0.00 43.02 42.74 3bsy s PHE 52 CO 0.03 -0.04 0.57 0.42 -1.46 0.00 0.00 175.22 174.74 3bsy s ILE 53 N 0.06 5.07 -1.12 3.12 1.01 -1.26 -0.73 121.20 127.34 3bsy s ILE 53 Ca -0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 60.65 59.28 3bsy s ILE 53 Cb -0.01 -4.40 0.17 0.00 0.01 0.00 0.00 42.46 38.24 3bsy s ILE 53 CO 0.00 -0.96 2.29 0.00 0.00 0.00 0.00 174.94 176.26 3bsy n ALA 54 N 5.63 6.58 -3.35 9.38 0.00 0.92 -4.91 120.51 134.75 3bsy n ALA 54 Ca -0.12 -4.08 -0.35 0.00 0.00 0.00 0.00 53.44 48.88 3bsy n ALA 54 Cb 0.41 -2.52 -0.14 0.00 0.00 0.00 0.00 19.45 17.20 3bsy n ALA 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3bsy s ILE 55 N -2.23 3.67 0.14 0.00 -1.09 -1.25 -4.14 121.20 116.30 3bsy s ILE 55 Ca 0.51 -0.39 -0.13 0.00 -2.23 0.00 0.00 60.65 58.40 3bsy s ILE 55 Cb 0.22 -2.68 0.01 0.00 -1.58 0.00 0.00 42.46 38.43 3bsy s ILE 55 CO -0.13 0.40 1.62 1.23 -1.23 0.00 0.00 174.94 176.83 3bsy h GLY 56 N 8.11 0.85 -5.22 6.18 0.00 -1.97 -3.42 103.07 107.61 3bsy h GLY 56 Ca -0.40 -0.57 -0.53 0.00 0.00 0.00 0.00 47.33 45.82 3bsy h GLY 56 CO 0.60 0.53 1.17 0.21 0.00 0.00 0.00 176.54 179.04 3bsy s ASN 57 N -6.20 6.48 0.20 0.19 3.84 -1.26 -4.90 114.94 113.28 3bsy s ASN 57 Ca -0.13 2.63 -0.10 0.00 0.21 0.00 0.00 52.86 55.47 3bsy s ASN 57 Cb 0.11 -2.54 0.13 0.00 -0.55 0.00 0.00 41.25 38.39 3bsy s ASN 57 CO 0.80 -1.01 1.78 0.78 -2.79 0.00 0.00 177.10 176.65 3bsy h ASN 58 N 9.77 0.95 -0.02 -4.21 2.35 -1.86 -0.81 115.58 121.74 3bsy h ASN 58 Ca -0.47 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.14 3bsy h ASN 58 Cb 1.22 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 39.35 3bsy h ASN 58 CO 0.94 0.82 0.01 -0.33 -1.65 0.00 0.00 177.43 177.22 3bsy h GLU 59 N 1.00 0.04 -0.37 0.81 3.07 -1.90 -2.16 114.58 115.06 3bsy h GLU 59 Ca 0.24 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 3bsy h GLU 59 Cb 0.14 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 3bsy h GLU 59 CO -0.03 0.24 0.18 0.82 -1.40 0.00 0.00 179.01 178.82 3bsy h ILE 60 N -0.18 1.16 -0.59 3.13 2.04 -1.93 -2.18 117.51 118.97 3bsy h ILE 60 Ca 0.01 -0.46 0.08 0.00 1.00 0.00 0.00 64.86 65.48 3bsy h ILE 60 Cb 0.22 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 3bsy h ILE 60 CO -0.00 0.17 0.25 -0.09 0.00 0.00 0.00 178.15 178.49 3bsy h ARG 61 N 0.47 0.45 -0.40 2.37 2.43 -1.14 -1.17 114.38 117.39 3bsy h ARG 61 Ca 0.13 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3bsy h ARG 61 Cb 0.11 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3bsy h ARG 61 CO -0.02 0.30 0.22 -0.22 -1.51 0.00 0.00 179.97 178.74 3bsy h LYS 62 N 0.46 0.56 -0.19 0.20 3.64 -1.20 0.15 116.57 120.18 3bsy h LYS 62 Ca 0.29 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3bsy h LYS 62 Cb 0.30 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3bsy h LYS 62 CO -0.26 0.45 0.11 0.87 -2.27 0.00 0.00 179.45 178.36 3bsy h LYS 63 N 0.52 0.23 -0.52 1.90 1.57 -0.87 -0.38 116.57 119.01 3bsy h LYS 63 Ca 0.14 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.78 3bsy h LYS 63 Cb 0.05 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3bsy h LYS 63 CO -0.02 0.15 -0.15 0.82 -0.57 0.00 0.00 179.45 179.67 3bsy h ILE 64 N 0.24 1.27 -0.34 1.86 2.04 -1.17 -0.99 117.51 120.43 3bsy h ILE 64 Ca 0.07 -1.32 0.07 0.00 1.00 0.00 0.00 64.86 64.68 3bsy h ILE 64 Cb -0.01 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 3bsy h ILE 64 CO -0.03 0.46 -0.07 0.22 0.00 0.00 0.00 178.15 178.73 3bsy h TYR 65 N 0.90 -0.15 -0.04 1.37 3.20 -0.39 0.19 116.97 122.05 3bsy h TYR 65 Ca 0.13 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.04 3bsy h TYR 65 Cb 0.73 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 3bsy h TYR 65 CO 0.05 -0.13 -0.01 1.96 -1.64 0.00 0.00 178.16 178.39 3bsy h GLN 66 N 0.01 0.00 0.10 1.82 4.20 -0.85 0.51 115.11 120.90 3bsy h GLN 66 Ca 0.16 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.89 3bsy h GLN 66 Cb 0.24 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3bsy h GLN 66 CO -0.34 0.00 -0.21 0.87 -0.67 0.00 0.00 178.83 178.48 3bsy h LYS 67 N 0.00 -0.38 -0.55 1.46 1.57 -0.77 -0.66 116.57 117.24 3bsy h LYS 67 Ca 0.02 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3bsy h LYS 67 Cb 0.03 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3bsy h LYS 67 CO -0.04 -0.25 0.16 0.82 -0.57 0.00 0.00 179.45 179.56 3bsy h ILE 68 N -0.39 1.24 -0.07 1.86 1.08 -0.58 -1.28 117.51 119.36 3bsy h ILE 68 Ca 0.03 -0.83 -0.05 0.00 -0.39 0.00 0.00 64.86 63.62 3bsy h ILE 68 Cb 0.42 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 3bsy h ILE 68 CO -0.13 0.31 -0.19 -1.28 -0.69 0.00 0.00 178.15 176.17 3bsy h SER 69 N 0.77 0.10 -0.16 1.72 0.87 -0.74 -2.39 113.55 113.72 3bsy h SER 69 Ca 0.17 -0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.54 3bsy h SER 69 Cb 0.30 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3bsy h SER 69 CO -0.00 0.30 -0.58 -0.33 -0.53 0.00 0.00 176.83 175.69 3bsy h GLU 70 N 0.10 0.68 -0.04 2.24 5.08 -0.84 -3.22 114.58 118.58 3bsy h GLU 70 Ca 0.02 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3bsy h GLU 70 Cb 0.40 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3bsy h GLU 70 CO 0.03 1.13 0.00 0.09 -1.00 0.00 0.00 179.01 179.26 3bsy n ASN 71 N -4.11 0.04 0.00 1.42 4.13 -0.51 -4.86 115.26 111.37 3bsy n ASN 71 Ca -0.07 -1.41 0.00 0.00 1.68 0.00 0.00 54.58 54.78 3bsy n ASN 71 Cb 0.64 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.86 3bsy n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bsy n GLY 72 N 0.20 0.92 3.78 7.41 0.00 -1.12 -5.04 105.19 111.34 3bsy n GLY 72 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3bsy n GLY 72 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bsy s PHE 73 N -2.24 3.30 -0.17 1.61 0.08 -1.10 -5.02 117.98 114.43 3bsy s PHE 73 Ca 0.00 1.65 -0.25 0.00 0.12 0.00 0.00 56.93 58.45 3bsy s PHE 73 Cb 0.00 -3.17 -0.02 0.00 -0.57 0.00 0.00 43.02 39.26 3bsy s PHE 73 CO 0.00 -0.67 0.80 0.21 -0.10 0.00 0.00 175.22 175.46 3bsy s LYS 74 N -2.33 4.29 -0.47 0.44 2.20 -1.26 -4.49 119.74 118.11 3bsy s LYS 74 Ca 0.56 0.96 -0.13 0.00 -0.36 0.00 0.00 55.97 57.00 3bsy s LYS 74 Cb -0.24 -3.57 0.09 0.00 -1.51 0.00 0.00 37.83 32.60 3bsy s LYS 74 CO 0.30 -0.31 0.38 0.42 -0.36 0.00 0.00 175.35 175.78 3bsy s ILE 75 N 2.10 4.82 0.81 5.43 1.01 -1.26 -1.09 121.20 133.02 3bsy s ILE 75 Ca 0.37 -1.35 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 3bsy s ILE 75 Cb -0.16 -3.98 0.08 0.00 0.01 0.00 0.00 42.46 38.40 3bsy s ILE 75 CO 0.12 -0.65 1.13 0.68 0.00 0.00 0.00 174.94 176.22 3bsy s VAL 76 N 1.54 2.62 0.10 2.92 -7.23 -0.62 -2.26 120.40 117.47 3bsy s VAL 76 Ca 0.04 0.20 -0.18 0.00 -1.81 0.00 0.00 61.98 60.23 3bsy s VAL 76 Cb -0.25 -3.06 -0.07 0.00 0.56 0.00 0.00 36.38 33.56 3bsy s VAL 76 CO 0.04 -0.26 0.57 0.20 -0.31 0.00 0.00 175.10 175.33 3bsy s ASN 77 N -4.19 6.99 -0.28 4.85 0.01 -1.26 -2.66 114.94 118.40 3bsy s ASN 77 Ca 0.61 1.21 -0.06 0.00 -0.71 0.00 0.00 52.86 53.91 3bsy s ASN 77 Cb -0.13 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.19 3bsy s ASN 77 CO 0.52 0.21 0.06 -0.76 -1.51 0.00 0.00 177.10 175.63 3bsy s LEU 78 N -1.40 3.68 -0.19 0.60 1.43 -0.20 -4.93 118.68 117.67 3bsy s LEU 78 Ca 0.32 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3bsy s LEU 78 Cb -0.18 -1.86 0.05 0.00 0.03 0.00 0.00 46.19 44.23 3bsy s LEU 78 CO 0.19 -0.15 -0.01 -0.63 0.23 0.00 0.00 176.35 175.98 3bsy s ILE 79 N 1.51 0.93 0.41 -0.59 1.01 -1.26 -0.59 121.20 122.62 3bsy s ILE 79 Ca 0.03 -0.73 -0.26 0.00 0.00 0.00 0.00 60.65 59.68 3bsy s ILE 79 Cb -0.17 -1.28 -0.09 0.00 0.01 0.00 0.00 42.46 40.93 3bsy s ILE 79 CO 0.02 -0.09 1.40 -2.28 0.00 0.00 0.00 174.94 173.99 3bsy s HIS 80 N 1.68 2.63 0.62 3.97 5.65 -0.21 -4.80 115.29 124.83 3bsy s HIS 80 Ca -0.02 1.29 0.34 0.00 0.25 0.00 0.00 55.06 56.93 3bsy s HIS 80 Cb -0.17 -3.86 1.97 0.00 -1.18 0.00 0.00 32.58 29.34 3bsy s HIS 80 CO -0.07 -2.64 2.25 0.87 -0.65 0.00 0.00 174.74 174.50 3bsy h LYS 81 N 2.65 0.00 -0.00 2.88 1.57 -1.91 -1.14 116.57 120.62 3bsy h LYS 81 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3bsy h LYS 81 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3bsy h LYS 81 CO 0.62 0.00 -0.14 -1.13 -0.57 0.00 0.00 179.45 178.24 3bsy n SER 82 N -3.58 0.41 -4.76 0.86 3.41 -1.26 -4.86 113.62 103.85 3bsy n SER 82 Ca -0.02 -0.40 -0.41 0.00 -0.26 0.00 0.00 58.87 57.78 3bsy n SER 82 Cb 0.13 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.96 3bsy n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bsy s ALA 83 N -2.60 3.50 -0.27 7.33 0.00 -0.43 -3.81 121.76 125.48 3bsy s ALA 83 Ca 0.25 1.18 -0.05 0.00 0.00 0.00 0.00 51.96 53.34 3bsy s ALA 83 Cb 0.20 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.86 3bsy s ALA 83 CO 0.51 -0.55 0.03 -0.51 0.00 0.00 0.00 175.76 175.23 3bsy s LEU 84 N -1.38 3.51 -0.17 0.00 1.43 0.13 -4.98 118.68 117.21 3bsy s LEU 84 Ca 0.50 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3bsy s LEU 84 Cb -0.38 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.05 3bsy s LEU 84 CO 0.48 -0.13 -0.17 -0.63 0.23 0.00 0.00 176.35 176.13 3bsy s ILE 85 N 1.47 1.84 0.30 -0.59 1.01 -1.26 -0.30 121.20 123.68 3bsy s ILE 85 Ca 0.03 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 3bsy s ILE 85 Cb -0.16 -1.71 -0.13 0.00 0.01 0.00 0.00 42.46 40.47 3bsy s ILE 85 CO 0.00 0.48 1.29 -0.24 0.00 0.00 0.00 174.94 176.47 3bsy n SER 86 N 4.68 2.57 0.33 3.58 2.88 0.20 -4.86 113.62 123.01 3bsy n SER 86 Ca -0.19 1.18 0.21 0.00 -1.33 0.00 0.00 58.87 58.75 3bsy n SER 86 Cb 0.50 -1.44 1.15 0.00 -0.75 0.00 0.00 64.21 63.67 3bsy n SER 86 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3bsy h PRO 87 N 3.00 0.00 -0.01 -1.46 0.13 -1.96 -0.82 132.00 130.88 3bsy h PRO 87 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3bsy h PRO 87 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3bsy h PRO 87 CO 0.66 0.00 -0.39 -1.13 -0.23 0.00 0.00 178.00 176.91 3bsy n SER 88 N -3.14 1.64 -4.78 1.44 3.41 -1.26 -4.92 113.62 106.01 3bsy n SER 88 Ca -0.03 -1.28 -0.32 0.00 -0.26 0.00 0.00 58.87 56.98 3bsy n SER 88 Cb 0.11 0.34 0.05 0.00 -0.26 0.00 0.00 64.21 64.46 3bsy n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bsy s ALA 89 N -2.48 2.50 -0.19 7.33 0.00 -0.31 -3.14 121.76 125.46 3bsy s ALA 89 Ca 0.21 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.59 3bsy s ALA 89 Cb 0.19 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 20.06 3bsy s ALA 89 CO 0.55 -1.29 -0.18 0.42 0.00 0.00 0.00 175.76 175.26 3bsy s ILE 90 N -2.56 2.09 -0.22 0.00 1.01 0.51 -4.91 121.20 117.13 3bsy s ILE 90 Ca 0.64 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 60.26 3bsy s ILE 90 Cb -0.18 -1.94 0.04 0.00 0.01 0.00 0.00 42.46 40.39 3bsy s ILE 90 CO 0.45 0.45 -0.16 -0.69 0.00 0.00 0.00 174.94 174.99 3bsy s VAL 91 N 1.26 2.10 0.06 2.92 1.01 -1.26 -0.59 120.40 125.89 3bsy s VAL 91 Ca 0.03 -1.26 -0.35 0.00 0.00 0.00 0.00 61.98 60.40 3bsy s VAL 91 Cb -0.14 -2.05 -0.14 0.00 0.00 0.00 0.00 36.38 34.05 3bsy s VAL 91 CO -0.12 0.27 1.63 -1.84 0.00 0.00 0.00 175.10 175.04 3bsy n GLU 92 N 4.54 1.95 -2.55 2.72 0.00 -1.04 -4.91 120.64 121.35 3bsy n GLU 92 Ca -0.18 0.71 -0.37 0.00 0.00 0.00 0.00 57.16 57.32 3bsy n GLU 92 Cb 0.46 -2.47 -0.04 0.00 0.00 0.00 0.00 31.44 29.39 3bsy n GLU 92 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 3bsy s GLU 93 N 1.84 4.23 -1.09 3.44 8.01 -1.26 -4.01 118.70 129.87 3bsy s GLU 93 Ca 0.84 1.53 -0.23 0.00 0.01 0.00 0.00 54.97 57.13 3bsy s GLU 93 Cb -0.75 -2.62 0.03 0.00 -4.31 0.00 0.00 34.13 26.48 3bsy s GLU 93 CO 0.45 -0.09 0.67 0.09 0.01 0.00 0.00 175.26 176.39 3bsy n ASN 94 N 0.09 -4.51 -1.04 -0.19 3.02 -1.26 -4.88 115.26 106.49 3bsy n ASN 94 Ca 0.04 -1.16 0.03 0.00 -0.03 0.00 0.00 54.58 53.46 3bsy n ASN 94 Cb 0.49 -1.85 0.02 0.00 -0.61 0.00 0.00 39.78 37.83 3bsy n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bsy n ALA 95 N -4.23 2.27 -2.43 5.41 0.00 -0.96 -4.63 120.51 115.94 3bsy n ALA 95 Ca -0.17 -1.88 -0.21 0.00 0.00 0.00 0.00 53.44 51.18 3bsy n ALA 95 Cb 0.60 -0.62 -0.01 0.00 0.00 0.00 0.00 19.45 19.42 3bsy n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bsy n GLY 96 N 0.19 -0.50 3.75 0.00 0.00 -1.03 -0.01 105.19 107.59 3bsy n GLY 96 Ca 0.05 0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3bsy n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bsy s ILE 97 N -3.03 4.84 -0.21 -0.61 1.01 -1.26 -4.07 121.20 117.87 3bsy s ILE 97 Ca 0.01 1.44 -0.08 0.00 0.00 0.00 0.00 60.65 62.03 3bsy s ILE 97 Cb -0.01 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 3bsy s ILE 97 CO 0.02 0.38 0.09 -0.22 0.00 0.00 0.00 174.94 175.21 3bsy s LEU 98 N -0.04 3.83 -0.26 2.97 2.96 -0.48 -1.03 118.68 126.63 3bsy s LEU 98 Ca 0.35 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 3bsy s LEU 98 Cb -0.19 -1.99 0.07 0.00 0.50 0.00 0.00 46.19 44.57 3bsy s LEU 98 CO 0.20 0.11 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.67 3bsy s ILE 99 N 0.78 1.65 0.89 6.68 1.01 0.25 -0.15 121.20 132.31 3bsy s ILE 99 Ca 0.05 -1.44 -0.14 0.00 0.00 0.00 0.00 60.65 59.12 3bsy s ILE 99 Cb -0.13 -1.96 0.15 0.00 0.01 0.00 0.00 42.46 40.52 3bsy s ILE 99 CO 0.02 -0.21 1.26 -0.04 0.00 0.00 0.00 174.94 175.97 3bsy s MET 100 N 1.31 1.24 0.50 2.79 -1.94 -0.54 -1.04 119.30 121.63 3bsy s MET 100 Ca -0.03 -0.17 -0.23 0.00 -1.71 0.00 0.00 55.69 53.55 3bsy s MET 100 Cb -0.19 -1.89 -0.07 0.00 2.01 0.00 0.00 34.83 34.69 3bsy s MET 100 CO -0.08 -2.05 1.23 -2.30 -0.01 0.00 0.00 175.02 171.82 3bsy n PRO 101 N -3.56 1.61 -1.41 2.03 -0.02 -1.26 -3.08 135.00 129.31 3bsy n PRO 101 Ca 0.12 0.59 -0.14 0.00 -2.02 0.00 0.00 63.50 62.04 3bsy n PRO 101 Cb 0.60 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 3bsy n PRO 101 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3bsy n TYR 102 N -0.83 0.00 -2.23 6.00 4.01 -1.25 -1.32 117.16 121.55 3bsy n TYR 102 Ca 0.10 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.43 3bsy n TYR 102 Cb 0.43 -2.92 -0.03 0.00 -0.31 0.00 0.00 39.34 36.51 3bsy n TYR 102 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3bsy s VAL 103 N -2.26 2.95 -0.10 -0.72 1.01 -1.18 -4.20 120.40 115.91 3bsy s VAL 103 Ca 0.00 0.96 0.04 0.00 0.00 0.00 0.00 61.98 62.98 3bsy s VAL 103 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3bsy s VAL 103 CO 0.00 0.23 -0.22 -0.69 0.00 0.00 0.00 175.10 174.42 3bsy s VAL 104 N -1.15 1.92 -0.20 2.92 1.01 -1.02 -0.69 120.40 123.18 3bsy s VAL 104 Ca 0.48 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3bsy s VAL 104 Cb -0.37 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.38 3bsy s VAL 104 CO 0.49 0.53 -0.11 -0.63 0.00 0.00 0.00 175.10 175.38 3bsy s ILE 105 N 0.41 1.72 0.54 2.22 1.01 0.59 -0.65 121.20 127.04 3bsy s ILE 105 Ca -0.18 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.45 3bsy s ILE 105 Cb -0.18 -1.77 0.10 0.00 0.01 0.00 0.00 42.46 40.63 3bsy s ILE 105 CO 0.08 0.20 0.74 0.59 0.00 0.00 0.00 174.94 176.54 3bsy n ASN 106 N 4.66 1.19 -4.65 3.58 3.02 -0.05 -0.63 115.26 122.38 3bsy n ASN 106 Ca -0.15 -1.96 -0.46 0.00 -0.03 0.00 0.00 54.58 51.98 3bsy n ASN 106 Cb 0.47 -0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 39.14 3bsy n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bsy n ALA 107 N -2.82 0.68 -0.87 5.41 0.00 -1.26 -2.40 120.51 119.24 3bsy n ALA 107 Ca -0.12 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3bsy n ALA 107 Cb 0.46 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3bsy n ALA 107 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3bsy n LYS 108 N 2.37 -1.02 -2.18 0.00 0.00 -1.19 -0.88 118.16 115.27 3bsy n LYS 108 Ca 0.14 0.26 -0.35 0.00 -0.00 0.00 0.00 58.31 58.35 3bsy n LYS 108 Cb 0.29 -4.36 0.01 0.00 -0.00 0.00 0.00 35.03 30.97 3bsy n LYS 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3bsy s ALA 109 N -1.40 2.65 -0.10 0.58 0.00 -1.01 -4.08 121.76 118.40 3bsy s ALA 109 Ca 0.00 0.88 0.03 0.00 0.00 0.00 0.00 51.96 52.86 3bsy s ALA 109 Cb 0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.74 3bsy s ALA 109 CO 0.00 -0.89 -0.18 0.21 0.00 0.00 0.00 175.76 174.89 3bsy s LYS 110 N -3.31 2.47 -0.21 0.00 2.20 0.05 -0.36 119.74 120.58 3bsy s LYS 110 Ca 0.74 -0.67 -0.03 0.00 -0.36 0.00 0.00 55.97 55.66 3bsy s LYS 110 Cb -0.26 -1.97 -0.00 0.00 -1.51 0.00 0.00 37.83 34.09 3bsy s LYS 110 CO 0.29 0.05 -0.07 0.42 -0.36 0.00 0.00 175.35 175.68 3bsy s ILE 111 N 0.66 3.09 0.65 5.43 -1.09 0.24 -0.79 121.20 129.39 3bsy s ILE 111 Ca -0.13 -0.62 -0.02 0.00 -2.23 0.00 0.00 60.65 57.65 3bsy s ILE 111 Cb -0.16 -2.40 0.07 0.00 -1.58 0.00 0.00 42.46 38.39 3bsy s ILE 111 CO 0.03 0.43 0.92 -1.61 -1.23 0.00 0.00 174.94 173.48 3bsy s GLU 112 N 1.43 2.14 0.47 2.79 2.02 -0.81 -2.49 118.70 124.25 3bsy s GLU 112 Ca 0.05 -0.73 -0.24 0.00 0.02 0.00 0.00 54.97 54.07 3bsy s GLU 112 Cb -0.14 -2.34 -0.08 0.00 0.10 0.00 0.00 34.13 31.67 3bsy s GLU 112 CO -0.05 -1.11 1.30 0.36 0.02 0.00 0.00 175.26 175.77 3bsy n LYS 113 N -2.68 1.86 -0.94 1.61 2.85 -1.26 -3.11 118.16 116.50 3bsy n LYS 113 Ca 0.10 0.67 0.00 0.00 -1.05 0.00 0.00 58.31 58.03 3bsy n LYS 113 Cb 0.60 -2.46 0.00 0.00 -0.65 0.00 0.00 35.03 32.52 3bsy n LYS 113 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3bsy n GLY 114 N 0.79 0.39 3.77 2.58 0.00 0.99 -0.63 105.19 113.08 3bsy n GLY 114 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3bsy n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bsy s VAL 115 N -1.96 2.98 -0.21 1.61 1.01 -1.18 -3.90 120.40 118.74 3bsy s VAL 115 Ca 0.00 0.77 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 3bsy s VAL 115 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 3bsy s VAL 115 CO 0.00 0.02 0.00 -0.63 0.00 0.00 0.00 175.10 174.49 3bsy s ILE 116 N -1.47 3.90 -0.40 2.22 1.01 -0.09 -1.38 121.20 124.99 3bsy s ILE 116 Ca 0.62 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.87 3bsy s ILE 116 Cb -0.31 -2.78 0.07 0.00 0.01 0.00 0.00 42.46 39.46 3bsy s ILE 116 CO 0.38 0.41 0.21 -0.76 0.00 0.00 0.00 174.94 175.18 3bsy s LEU 117 N 1.19 4.96 0.88 2.97 1.43 0.79 -0.57 118.68 130.32 3bsy s LEU 117 Ca 0.03 -1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 51.51 3bsy s LEU 117 Cb -0.14 -1.93 0.17 0.00 0.03 0.00 0.00 46.19 44.32 3bsy s LEU 117 CO 0.01 -0.49 1.21 0.21 0.23 0.00 0.00 176.35 177.52 3bsy s ASN 118 N 1.91 3.59 -0.05 2.29 3.84 0.48 -1.46 114.94 125.54 3bsy s ASN 118 Ca 0.03 0.11 -0.38 0.00 0.21 0.00 0.00 52.86 52.83 3bsy s ASN 118 Cb -0.22 -0.29 -0.16 0.00 -0.55 0.00 0.00 41.25 40.02 3bsy s ASN 118 CO 0.01 -2.41 1.47 0.41 -2.79 0.00 0.00 177.10 173.80 3bsy n THR 119 N -3.45 0.11 -1.45 -5.21 -1.04 -1.26 -1.64 114.28 100.34 3bsy n THR 119 Ca 0.15 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.05 61.98 3bsy n THR 119 Cb 0.60 -0.93 -0.07 0.00 -1.82 0.00 0.00 70.33 68.11 3bsy n THR 119 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3bsy n SER 120 N 3.48 -5.28 -4.78 8.00 7.64 -0.43 -1.07 113.62 121.18 3bsy n SER 120 Ca 0.21 0.38 -0.31 0.00 1.01 0.00 0.00 58.87 60.16 3bsy n SER 120 Cb 0.16 -4.13 0.07 0.00 -1.01 0.00 0.00 64.21 59.31 3bsy n SER 120 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3bsy s SER 121 N -2.68 4.84 -0.05 6.43 1.04 -0.65 -4.05 113.70 118.57 3bsy s SER 121 Ca 0.00 1.78 0.02 0.00 0.48 0.00 0.00 55.95 58.23 3bsy s SER 121 Cb 0.00 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.62 3bsy s SER 121 CO 0.00 -1.81 -0.09 -0.69 0.98 0.00 0.00 173.24 171.63 3bsy s VAL 122 N -2.87 0.89 -0.32 5.02 1.01 -0.69 -2.45 120.40 121.00 3bsy s VAL 122 Ca 0.61 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 3bsy s VAL 122 Cb -0.17 -0.84 0.07 0.00 0.00 0.00 0.00 36.38 35.44 3bsy s VAL 122 CO 0.54 0.30 0.02 -0.63 0.00 0.00 0.00 175.10 175.33 3bsy s ILE 123 N 0.72 2.83 0.96 2.22 -1.09 0.18 -1.08 121.20 125.94 3bsy s ILE 123 Ca -0.13 -1.64 -0.14 0.00 -2.23 0.00 0.00 60.65 56.50 3bsy s ILE 123 Cb -0.15 -2.74 0.17 0.00 -1.58 0.00 0.00 42.46 38.16 3bsy s ILE 123 CO 0.02 -0.25 1.18 -1.61 -1.23 0.00 0.00 174.94 173.05 3bsy s GLU 124 N 1.17 0.70 0.27 2.79 0.41 -0.74 -0.87 118.70 122.44 3bsy s GLU 124 Ca -0.02 0.06 -0.30 0.00 -0.41 0.00 0.00 54.97 54.31 3bsy s GLU 124 Cb -0.20 -1.81 -0.14 0.00 -1.78 0.00 0.00 34.13 30.20 3bsy s GLU 124 CO -0.03 -2.45 1.25 -2.39 -0.49 0.00 0.00 175.26 171.15 3bsy n HIS 125 N -3.90 1.86 -1.00 1.61 1.44 -1.26 -2.68 115.22 111.28 3bsy n HIS 125 Ca 0.10 0.56 -0.00 0.00 -2.01 0.00 0.00 57.72 56.37 3bsy n HIS 125 Cb 0.59 -2.37 -0.00 0.00 0.12 0.00 0.00 29.99 28.33 3bsy n HIS 125 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3bsy n GLU 126 N 1.32 -0.86 -1.19 -1.40 1.02 -0.06 -1.03 120.64 118.44 3bsy n GLU 126 Ca 0.10 0.23 -0.32 0.00 -0.02 0.00 0.00 57.16 57.15 3bsy n GLU 126 Cb 0.32 -3.88 0.11 0.00 -0.02 0.00 0.00 31.44 27.97 3bsy n GLU 126 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bsy s VAL 128 N -2.63 1.30 -0.35 0.00 1.01 -0.08 -0.77 120.40 118.89 3bsy s VAL 128 Ca 0.65 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 3bsy s VAL 128 Cb -0.21 -1.25 0.04 0.00 0.00 0.00 0.00 36.38 34.96 3bsy s VAL 128 CO 0.53 0.41 0.13 -0.63 0.00 0.00 0.00 175.10 175.54 3bsy s ILE 129 N 1.45 3.97 0.62 2.22 -1.09 0.03 -0.48 121.20 127.92 3bsy s ILE 129 Ca 0.02 -1.08 -0.17 0.00 -2.23 0.00 0.00 60.65 57.19 3bsy s ILE 129 Cb -0.13 -3.25 -0.02 0.00 -1.58 0.00 0.00 42.46 37.48 3bsy s ILE 129 CO -0.07 -0.20 1.14 -0.83 -1.23 0.00 0.00 174.94 173.74 3bsy s GLY 130 N 1.46 2.40 0.39 6.18 0.00 0.46 -1.93 107.32 116.27 3bsy s GLY 130 Ca -0.01 0.74 -0.25 0.00 0.00 0.00 0.00 44.72 45.20 3bsy s GLY 130 CO 0.04 1.10 0.95 -1.84 0.00 0.00 0.00 173.10 173.35 3bsy n GLU 131 N -2.00 1.25 -2.27 2.90 0.28 -1.26 -2.25 120.64 117.30 3bsy n GLU 131 Ca 0.12 0.45 -0.16 0.00 -0.16 0.00 0.00 57.16 57.41 3bsy n GLU 131 Cb 0.51 -1.93 -0.02 0.00 1.43 0.00 0.00 31.44 31.44 3bsy n GLU 131 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3bsy n PHE 132 N -0.37 -1.10 -2.43 -1.84 3.72 0.20 -1.17 117.46 114.47 3bsy n PHE 132 Ca 0.10 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.21 3bsy n PHE 132 Cb 0.37 -3.18 -0.00 0.00 -0.94 0.00 0.00 39.48 35.74 3bsy n PHE 132 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3bsy s SER 133 N -2.08 6.28 -0.22 4.37 0.01 -0.95 -3.76 113.70 117.34 3bsy s SER 133 Ca 0.00 1.09 -0.00 0.00 1.31 0.00 0.00 55.95 58.35 3bsy s SER 133 Cb 0.00 -2.32 0.06 0.00 0.21 0.00 0.00 66.02 63.97 3bsy s SER 133 CO 0.00 -0.65 -0.03 -2.28 0.41 0.00 0.00 173.24 170.70 3bsy s HIS 134 N -2.84 1.97 -0.43 2.43 2.46 0.17 -0.92 115.29 118.14 3bsy s HIS 134 Ca 0.50 -1.48 -0.17 0.00 0.47 0.00 0.00 55.06 54.38 3bsy s HIS 134 Cb -0.10 -1.41 0.03 0.00 -0.13 0.00 0.00 32.58 30.96 3bsy s HIS 134 CO 0.46 -0.72 0.43 0.08 -2.47 0.00 0.00 174.74 172.52 3bsy s VAL 135 N 1.54 5.11 0.92 0.89 1.01 0.26 -0.52 120.40 129.61 3bsy s VAL 135 Ca -0.04 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 3bsy s VAL 135 Cb -0.18 -4.05 0.22 0.00 0.00 0.00 0.00 36.38 32.37 3bsy s VAL 135 CO -0.07 -0.44 1.06 -1.20 0.00 0.00 0.00 175.10 174.45 3bsy n SER 136 N 5.55 -0.69 -4.68 3.32 7.64 -0.10 -0.39 113.62 124.26 3bsy n SER 136 Ca -0.08 -1.28 -0.44 0.00 1.01 0.00 0.00 58.87 58.08 3bsy n SER 136 Cb 0.47 -0.87 -0.03 0.00 -1.01 0.00 0.00 64.21 62.77 3bsy n SER 136 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3bsy n VAL 137 N -3.94 0.37 -0.89 0.44 0.31 -1.26 -1.88 118.33 111.48 3bsy n VAL 137 Ca 0.14 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3bsy n VAL 137 Cb 0.50 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 3bsy n VAL 137 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bsy n GLY 138 N 4.16 0.38 3.76 2.92 0.00 -0.23 -0.64 105.19 115.54 3bsy n GLY 138 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3bsy n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bsy s ALA 139 N -2.01 3.39 -0.05 4.61 0.00 -0.79 -4.16 121.76 122.76 3bsy s ALA 139 Ca 0.00 0.94 0.01 0.00 0.00 0.00 0.00 51.96 52.91 3bsy s ALA 139 Cb 0.00 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.79 3bsy s ALA 139 CO 0.00 -0.24 -0.05 0.15 0.00 0.00 0.00 175.76 175.61 3bsy s LYS 140 N -1.59 0.92 -0.20 0.00 1.02 -0.39 -1.70 119.74 117.79 3bsy s LYS 140 Ca 0.46 -0.13 -0.06 0.00 0.02 0.00 0.00 55.97 56.27 3bsy s LYS 140 Cb -0.32 -0.91 -0.03 0.00 -0.52 0.00 0.00 37.83 36.05 3bsy s LYS 140 CO 0.42 -0.08 0.03 0.00 -0.92 0.00 0.00 175.35 174.79 3bsy n ALA 142 N 4.20 -2.06 -1.76 0.00 0.00 -0.43 -1.78 120.51 118.69 3bsy n ALA 142 Ca -0.17 -1.44 -0.39 0.00 0.00 0.00 0.00 53.44 51.45 3bsy n ALA 142 Cb 0.52 -0.08 0.02 0.00 0.00 0.00 0.00 19.45 19.91 3bsy n ALA 142 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3bsy s GLY 143 N -4.87 2.89 -1.61 0.00 0.00 -1.26 -3.26 107.32 99.21 3bsy s GLY 143 Ca 0.62 1.30 -0.01 0.00 0.00 0.00 0.00 44.72 46.64 3bsy s GLY 143 CO 0.46 1.84 0.10 -2.01 0.00 0.00 0.00 173.10 173.49 3bsy n ASN 144 N -0.60 -5.58 -4.78 1.64 5.15 -0.20 -1.06 115.26 109.84 3bsy n ASN 144 Ca 0.08 -0.06 -0.39 0.00 -0.60 0.00 0.00 54.58 53.61 3bsy n ASN 144 Cb 0.44 -4.58 -0.06 0.00 -0.53 0.00 0.00 39.78 35.05 3bsy n ASN 144 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3bsy s VAL 145 N -2.99 4.92 -0.27 3.44 1.01 -1.20 -3.52 120.40 121.79 3bsy s VAL 145 Ca 0.05 1.16 -0.04 0.00 0.00 0.00 0.00 61.98 63.15 3bsy s VAL 145 Cb -0.02 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.49 3bsy s VAL 145 CO 0.06 0.46 -0.00 -1.59 0.00 0.00 0.00 175.10 174.02 3bsy s LYS 146 N -0.41 2.91 -0.23 2.72 0.00 -0.55 -0.90 119.74 123.28 3bsy s LYS 146 Ca 0.29 -0.95 -0.09 0.00 0.00 0.00 0.00 55.97 55.22 3bsy s LYS 146 Cb -0.18 -3.15 -0.04 0.00 0.00 0.00 0.00 37.83 34.46 3bsy s LYS 146 CO 0.16 -0.43 0.13 0.42 0.00 0.00 0.00 175.35 175.63 3bsy s ILE 147 N 1.39 5.06 1.09 3.79 -1.09 0.36 -1.10 121.20 130.71 3bsy s ILE 147 Ca 0.01 0.08 -0.14 0.00 -2.23 0.00 0.00 60.65 58.36 3bsy s ILE 147 Cb -0.17 -3.35 0.24 0.00 -1.58 0.00 0.00 42.46 37.59 3bsy s ILE 147 CO -0.02 0.36 1.07 -0.83 -1.23 0.00 0.00 174.94 174.29 3bsy s GLY 148 N 1.10 1.55 0.49 6.18 0.00 -0.09 -0.41 107.32 116.15 3bsy s GLY 148 Ca 0.06 -0.45 -0.23 0.00 0.00 0.00 0.00 44.72 44.10 3bsy s GLY 148 CO 0.04 0.25 1.21 0.28 0.00 0.00 0.00 173.10 174.89 3bsy n LYS 149 N -4.51 1.61 -1.80 2.90 5.02 -1.26 -3.41 118.16 116.71 3bsy n LYS 149 Ca 0.06 0.58 -0.20 0.00 -2.02 0.00 0.00 58.31 56.73 3bsy n LYS 149 Cb 0.57 -2.37 -0.07 0.00 -0.02 0.00 0.00 35.03 33.15 3bsy n LYS 149 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bsy n ASN 150 N -0.31 -5.49 -4.86 4.39 3.02 -0.32 -0.48 115.26 111.21 3bsy n ASN 150 Ca 0.09 0.38 -0.31 0.00 -0.03 0.00 0.00 54.58 54.71 3bsy n ASN 150 Cb 0.42 -4.78 -0.00 0.00 -0.61 0.00 0.00 39.78 34.81 3bsy n ASN 150 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bsy s PHE 152 N -2.99 1.36 -0.27 0.00 5.36 -0.35 -0.66 117.98 120.42 3bsy s PHE 152 Ca 0.56 -0.75 -0.07 0.00 -0.96 0.00 0.00 56.93 55.71 3bsy s PHE 152 Cb -0.11 -1.16 -0.01 0.00 -0.34 0.00 0.00 43.02 41.40 3bsy s PHE 152 CO 0.47 -0.52 0.08 -0.51 -1.46 0.00 0.00 175.22 173.28 3bsy s LEU 153 N 1.75 3.61 1.00 6.12 1.43 0.32 -0.35 118.68 132.56 3bsy s LEU 153 Ca 0.03 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3bsy s LEU 153 Cb -0.14 -1.91 0.19 0.00 0.03 0.00 0.00 46.19 44.36 3bsy s LEU 153 CO -0.07 -0.10 1.09 -0.83 0.23 0.00 0.00 176.35 176.67 3bsy s GLY 154 N 1.58 1.57 0.15 -3.19 0.00 0.14 -0.93 107.32 106.64 3bsy s GLY 154 Ca 0.05 -0.31 -0.34 0.00 0.00 0.00 0.00 44.72 44.11 3bsy s GLY 154 CO 0.03 0.29 1.36 4.51 0.00 0.00 0.00 173.10 179.29 3bsy n ILE 155 N -4.18 0.35 -1.76 0.90 3.06 -1.26 -1.81 119.36 114.65 3bsy n ILE 155 Ca 0.05 -0.09 -0.18 0.00 -2.50 0.00 0.00 62.75 60.03 3bsy n ILE 155 Cb 0.57 -1.08 -0.06 0.00 0.54 0.00 0.00 39.64 39.60 3bsy n ILE 155 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3bsy n ASN 156 N 2.55 -4.98 -4.91 9.51 3.02 0.19 -0.41 115.26 120.23 3bsy n ASN 156 Ca 0.16 0.35 -0.27 0.00 -0.03 0.00 0.00 54.58 54.79 3bsy n ASN 156 Cb 0.24 -4.37 0.05 0.00 -0.61 0.00 0.00 39.78 35.09 3bsy n ASN 156 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3bsy s SER 157 N -2.42 5.23 0.10 6.41 1.04 -0.75 -4.12 113.70 119.17 3bsy s SER 157 Ca 0.00 0.73 -0.12 0.00 0.48 0.00 0.00 55.95 57.04 3bsy s SER 157 Cb 0.00 -1.54 0.02 0.00 0.10 0.00 0.00 66.02 64.60 3bsy s SER 157 CO 0.00 -1.36 0.29 0.00 0.98 0.00 0.00 173.24 173.15 3bsy s VAL 159 N -3.65 1.16 0.89 0.00 1.01 -0.70 -1.07 120.40 118.04 3bsy s VAL 159 Ca 0.03 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 3bsy s VAL 159 Cb 0.03 -1.09 0.13 0.00 0.00 0.00 0.00 36.38 35.44 3bsy s VAL 159 CO -0.10 0.37 1.10 -0.76 0.00 0.00 0.00 175.10 175.70 3bsy s LEU 160 N 0.97 2.46 0.66 3.92 1.02 -0.71 -1.31 118.68 125.70 3bsy s LEU 160 Ca -0.08 1.72 -0.17 0.00 0.02 0.00 0.00 54.13 55.61 3bsy s LEU 160 Cb -0.15 -4.16 -0.00 0.00 0.02 0.00 0.00 46.19 41.90 3bsy s LEU 160 CO -0.00 -2.69 1.25 -2.84 0.02 0.00 0.00 176.35 172.08 3bsy s PRO 161 N -4.83 2.51 -0.09 1.29 0.02 -1.26 -3.50 135.00 129.14 3bsy s PRO 161 Ca 0.64 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.58 3bsy s PRO 161 Cb -0.19 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.47 3bsy s PRO 161 CO 0.58 -1.59 0.00 0.09 -0.33 0.00 0.00 177.00 175.74 3bsy n ASN 162 N -2.10 -4.17 -4.94 2.53 5.03 -0.22 -4.96 115.26 106.44 3bsy n ASN 162 Ca 0.15 0.02 -0.27 0.00 0.87 0.00 0.00 54.58 55.35 3bsy n ASN 162 Cb 0.49 -1.74 -0.03 0.00 -1.02 0.00 0.00 39.78 37.48 3bsy n ASN 162 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3bsy s LEU 163 N -0.20 4.26 0.01 3.41 1.43 -1.23 -4.90 118.68 121.46 3bsy s LEU 163 Ca 0.00 0.32 0.08 0.00 -1.03 0.00 0.00 54.13 53.50 3bsy s LEU 163 Cb 0.00 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 3bsy s LEU 163 CO 0.00 -0.03 -0.26 -0.44 0.23 0.00 0.00 176.35 175.86 3bsy s SER 164 N -3.26 3.16 -0.15 2.29 0.01 -1.26 -1.48 113.70 113.01 3bsy s SER 164 Ca 0.37 -0.52 0.02 0.00 1.31 0.00 0.00 55.95 57.13 3bsy s SER 164 Cb -0.11 -0.34 0.01 0.00 0.21 0.00 0.00 66.02 65.79 3bsy s SER 164 CO 0.29 0.29 -0.19 -0.22 0.41 0.00 0.00 173.24 173.82 3bsy s LEU 165 N -0.94 2.25 0.62 2.44 2.96 -0.26 -1.03 118.68 124.72 3bsy s LEU 165 Ca 0.11 -0.56 -0.18 0.00 -0.22 0.00 0.00 54.13 53.29 3bsy s LEU 165 Cb -0.10 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 3bsy s LEU 165 CO 0.01 0.08 1.17 0.00 -1.32 0.00 0.00 176.35 176.29 3bsy s ALA 166 N 0.85 2.49 0.35 5.97 0.00 -0.58 -0.91 121.76 129.91 3bsy s ALA 166 Ca -0.06 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 52.53 3bsy s ALA 166 Cb -0.15 -3.41 -0.15 0.00 0.00 0.00 0.00 23.12 19.41 3bsy s ALA 166 CO -0.02 -1.23 0.38 -0.25 0.00 0.00 0.00 175.76 174.64 3bsy n ASP 167 N -1.88 -1.67 -1.08 0.00 8.00 -1.26 -2.89 116.55 115.77 3bsy n ASP 167 Ca 0.13 0.95 -0.13 0.00 0.71 0.00 0.00 54.79 56.44 3bsy n ASP 167 Cb 0.50 -0.98 -0.05 0.00 -0.02 0.00 0.00 41.12 40.57 3bsy n ASP 167 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3bsy n ASP 168 N 1.90 -4.54 -4.94 -2.24 8.00 0.37 -4.32 116.55 110.79 3bsy n ASP 168 Ca 0.13 0.29 -0.25 0.00 0.71 0.00 0.00 54.79 55.67 3bsy n ASP 168 Cb 0.35 -3.27 -0.02 0.00 -0.02 0.00 0.00 41.12 38.17 3bsy n ASP 168 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3bsy s SER 169 N -2.80 6.32 -0.12 -2.24 0.01 -1.14 -4.59 113.70 109.14 3bsy s SER 169 Ca 0.00 0.48 0.03 0.00 1.31 0.00 0.00 55.95 57.77 3bsy s SER 169 Cb 0.00 -2.04 0.01 0.00 0.21 0.00 0.00 66.02 64.19 3bsy s SER 169 CO 0.00 -0.26 -0.22 -0.63 0.41 0.00 0.00 173.24 172.54 3bsy s ILE 170 N -2.25 2.00 -0.27 1.44 1.01 -0.14 -1.21 121.20 121.78 3bsy s ILE 170 Ca 0.40 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 3bsy s ILE 170 Cb -0.10 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3bsy s ILE 170 CO 0.35 0.54 0.12 -0.22 0.00 0.00 0.00 174.94 175.73 3bsy s LEU 171 N 0.62 3.74 0.89 2.97 2.96 0.52 -0.75 118.68 129.64 3bsy s LEU 171 Ca -0.12 -0.21 -0.11 0.00 -0.22 0.00 0.00 54.13 53.46 3bsy s LEU 171 Cb -0.17 -2.00 0.13 0.00 0.50 0.00 0.00 46.19 44.66 3bsy s LEU 171 CO 0.03 -0.07 1.11 -0.83 -1.32 0.00 0.00 176.35 175.26 3bsy s GLY 172 N 1.66 1.65 0.20 7.98 0.00 0.17 0.28 107.32 119.25 3bsy s GLY 172 Ca 0.06 0.28 -0.32 0.00 0.00 0.00 0.00 44.72 44.74 3bsy s GLY 172 CO 0.06 0.72 1.21 0.61 0.00 0.00 0.00 173.10 175.70 3bsy n GLY 173 N -0.44 0.20 3.06 0.20 0.00 -1.26 -1.95 105.19 104.99 3bsy n GLY 173 Ca 0.09 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.62 3bsy n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bsy n GLY 174 N 1.99 0.63 3.80 -0.02 0.00 0.45 -4.79 105.19 107.26 3bsy n GLY 174 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3bsy n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bsy s ALA 175 N -2.81 3.13 -0.28 4.61 0.00 -0.82 -4.70 121.76 120.88 3bsy s ALA 175 Ca 0.00 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.43 3bsy s ALA 175 Cb 0.00 -3.15 0.06 0.00 0.00 0.00 0.00 23.12 20.03 3bsy s ALA 175 CO 0.00 0.16 -0.07 0.99 0.00 0.00 0.00 175.76 176.84 3bsy s THR 176 N -1.91 2.36 -0.28 0.00 2.01 -0.63 -0.82 115.64 116.37 3bsy s THR 176 Ca 0.56 -1.68 -0.24 0.00 0.31 0.00 0.00 61.69 60.65 3bsy s THR 176 Cb -0.13 -2.43 -0.00 0.00 0.01 0.00 0.00 72.50 69.94 3bsy s THR 176 CO 0.18 -0.12 0.80 -0.22 -0.69 0.00 0.00 174.62 174.57 3bsy s LEU 177 N 1.11 4.08 0.00 4.42 2.96 -0.23 0.09 118.68 131.10 3bsy s LEU 177 Ca -0.06 0.84 0.05 0.00 -0.22 0.00 0.00 54.13 54.74 3bsy s LEU 177 Cb -0.20 -3.12 -0.00 0.00 0.50 0.00 0.00 46.19 43.37 3bsy s LEU 177 CO -0.05 -0.56 0.45 1.33 -1.32 0.00 0.00 176.35 176.20 3bsy n VAL 178 N 5.40 0.00 -4.33 1.68 0.24 -1.26 -1.74 118.33 118.32 3bsy n VAL 178 Ca 0.04 -0.44 -0.21 0.00 -2.04 0.00 0.00 64.34 61.70 3bsy n VAL 178 Cb 0.48 1.06 -0.13 0.00 -1.47 0.00 0.00 33.84 33.78 3bsy n VAL 178 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3bsy s LYS 179 N -0.95 0.97 0.43 7.34 3.01 -1.26 -4.97 119.74 124.30 3bsy s LYS 179 Ca 0.04 -0.86 -0.24 0.00 -1.01 0.00 0.00 55.97 53.90 3bsy s LYS 179 Cb 0.04 -1.01 -0.10 0.00 -1.01 0.00 0.00 37.83 35.74 3bsy s LYS 179 CO 0.14 0.24 0.96 0.09 0.51 0.00 0.00 175.35 177.29 3bsy n ASN 180 N 1.66 1.01 -3.83 2.83 5.03 -1.26 -4.83 115.26 115.87 3bsy n ASN 180 Ca -0.19 1.01 -0.29 0.00 0.87 0.00 0.00 54.58 55.98 3bsy n ASN 180 Cb 0.54 -1.33 -0.16 0.00 -1.02 0.00 0.00 39.78 37.81 3bsy n ASN 180 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3bsy s GLN 181 N -2.01 1.10 0.00 3.52 -1.52 -0.20 -4.97 119.66 115.59 3bsy s GLN 181 Ca 0.64 -0.76 0.26 0.00 -1.95 0.00 0.00 55.36 53.55 3bsy s GLN 181 Cb -0.56 -2.33 0.68 0.00 -0.22 0.00 0.00 33.01 30.58 3bsy s GLN 181 CO 0.56 -0.66 1.52 -0.25 -0.25 0.00 0.00 175.29 176.22 3bsy n ASP 182 N 4.85 0.75 -4.26 5.90 8.00 -1.26 -1.53 116.55 129.00 3bsy n ASP 182 Ca -0.09 -0.57 -0.23 0.00 0.71 0.00 0.00 54.79 54.60 3bsy n ASP 182 Cb 0.45 0.17 -0.13 0.00 -0.02 0.00 0.00 41.12 41.59 3bsy n ASP 182 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3bsy s GLU 183 N -2.73 1.10 0.25 -1.24 2.02 -1.26 -4.81 118.70 112.04 3bsy s GLU 183 Ca 0.19 -1.10 -0.30 0.00 0.02 0.00 0.00 54.97 53.78 3bsy s GLU 183 Cb 0.18 -1.31 -0.14 0.00 0.10 0.00 0.00 34.13 32.96 3bsy s GLU 183 CO 0.60 0.31 1.11 0.36 0.02 0.00 0.00 175.26 177.66 3bsy n LYS 184 N 1.21 1.41 -3.69 1.61 2.85 -1.26 -4.61 118.16 115.68 3bsy n LYS 184 Ca -0.19 0.50 -0.04 0.00 -1.05 0.00 0.00 58.31 57.53 3bsy n LYS 184 Cb 0.54 -1.95 0.02 0.00 -0.65 0.00 0.00 35.03 32.99 3bsy n LYS 184 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3bsy n GLY 185 N 1.55 0.71 3.12 2.58 0.00 -1.26 -5.01 105.19 106.87 3bsy n GLY 185 Ca 0.11 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 3bsy n GLY 185 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bsy s VAL 186 N -2.10 2.16 -0.14 1.61 1.01 -1.26 -0.96 120.40 120.71 3bsy s VAL 186 Ca 0.20 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3bsy s VAL 186 Cb -0.03 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.34 3bsy s VAL 186 CO 0.06 0.37 -0.20 -0.36 0.00 0.00 0.00 175.10 174.97 3bsy s PHE 187 N 1.25 2.71 0.05 5.22 0.08 0.07 -0.51 117.98 126.84 3bsy s PHE 187 Ca 0.01 -1.25 0.03 0.00 0.12 0.00 0.00 56.93 55.85 3bsy s PHE 187 Cb -0.15 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.44 3bsy s PHE 187 CO -0.10 -0.57 -0.10 0.14 -0.10 0.00 0.00 175.22 174.49 3bsy s VAL 188 N 0.81 0.77 0.00 -0.44 -7.23 -0.07 -0.66 120.40 113.59 3bsy s VAL 188 Ca -0.07 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 3bsy s VAL 188 Cb -0.15 -0.77 0.00 0.00 0.56 0.00 0.00 36.38 36.01 3bsy s VAL 188 CO -0.01 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 3bsy n GLY 189 N 1.62 1.22 2.99 2.32 0.00 -1.26 -0.87 105.19 111.20 3bsy n GLY 189 Ca -0.21 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.42 3bsy n GLY 189 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bsy s VAL 190 N -1.64 2.08 0.66 1.61 1.01 -1.26 -1.54 120.40 121.31 3bsy s VAL 190 Ca 0.00 -2.13 -0.11 0.00 0.00 0.00 0.00 61.98 59.73 3bsy s VAL 190 Cb 0.00 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 3bsy s VAL 190 CO 0.00 -0.54 1.06 -2.16 0.00 0.00 0.00 175.10 173.46 3bsy s PRO 191 N 1.02 3.22 0.10 2.72 0.04 -1.26 -5.03 135.00 135.81 3bsy s PRO 191 Ca 0.09 0.58 -0.30 0.00 0.04 0.00 0.00 61.00 61.41 3bsy s PRO 191 Cb -0.19 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 3bsy s PRO 191 CO -0.10 -0.80 1.18 0.00 0.04 0.00 0.00 177.00 177.32 3bsy s ALA 192 N -3.26 3.39 0.09 8.56 0.00 0.11 -4.86 121.76 125.79 3bsy s ALA 192 Ca 0.56 0.85 0.05 0.00 0.00 0.00 0.00 51.96 53.43 3bsy s ALA 192 Cb -0.11 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3bsy s ALA 192 CO 0.53 -0.38 -0.12 0.15 0.00 0.00 0.00 175.76 175.93 3bsy s LYS 193 N 0.59 0.87 0.17 0.00 3.01 -0.05 -4.75 119.74 119.57 3bsy s LYS 193 Ca 0.56 -1.08 -0.33 0.00 -1.01 0.00 0.00 55.97 54.10 3bsy s LYS 193 Cb -0.30 -0.72 -0.15 0.00 -1.01 0.00 0.00 37.83 35.65 3bsy s LYS 193 CO 0.31 0.14 1.40 0.54 0.51 0.00 0.00 175.35 178.25 3bsy n ARG 194 N 0.86 1.74 0.00 1.68 1.74 -1.26 -0.89 116.66 120.53 3bsy n ARG 194 Ca -0.18 0.62 0.13 0.00 -0.77 0.00 0.00 57.85 57.65 3bsy n ARG 194 Cb 0.56 -2.28 0.24 0.00 -1.02 0.00 0.00 32.46 29.96 3bsy n ARG 194 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78