#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bsy n ARG 3 N 0.00 2.31 -2.96 0.00 0.63 -1.26 -4.96 116.66 110.43 3bsy n ARG 3 Ca 0.00 0.82 -0.42 0.00 -0.92 0.00 0.00 57.85 57.33 3bsy n ARG 3 Cb 0.00 -2.47 -0.05 0.00 0.45 0.00 0.00 32.46 30.39 3bsy n ARG 3 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3bsy s THR 4 N -0.74 4.79 0.00 5.15 2.01 -1.26 -4.84 115.64 120.75 3bsy s THR 4 Ca 0.59 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.67 3bsy s THR 4 Cb -0.55 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 67.81 3bsy s THR 4 CO 0.58 -0.28 0.00 -0.62 -0.69 0.00 0.00 174.62 173.61 3bsy n GLU 5 N 6.22 1.60 -4.23 4.92 1.02 -1.26 -4.83 120.64 124.08 3bsy n GLU 5 Ca 0.03 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.86 3bsy n GLU 5 Cb 0.48 -0.69 -0.09 0.00 -0.02 0.00 0.00 31.44 31.12 3bsy n GLU 5 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3bsy s LYS 6 N -1.37 2.60 -0.07 3.49 1.02 -1.26 -0.30 119.74 123.85 3bsy s LYS 6 Ca 0.00 -0.76 -0.05 0.00 0.02 0.00 0.00 55.97 55.17 3bsy s LYS 6 Cb 0.00 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.77 3bsy s LYS 6 CO 0.00 0.57 0.17 -1.50 -0.92 0.00 0.00 175.35 173.67 3bsy s ILE 7 N -1.20 -0.01 -0.06 2.17 2.07 -0.50 -3.99 121.20 119.68 3bsy s ILE 7 Ca 0.22 0.03 -0.25 0.00 -1.41 0.00 0.00 60.65 59.25 3bsy s ILE 7 Cb -0.12 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.19 3bsy s ILE 7 CO 0.14 0.01 0.77 -0.31 -1.91 0.00 0.00 174.94 173.65 3bsy s TYR 8 N 0.31 3.58 -0.32 3.50 2.02 -0.11 -0.22 117.35 126.11 3bsy s TYR 8 Ca -0.02 1.35 -0.04 0.00 -0.37 0.00 0.00 57.07 57.99 3bsy s TYR 8 Cb -0.03 -2.89 0.05 0.00 -0.40 0.00 0.00 41.96 38.68 3bsy s TYR 8 CO -0.01 0.03 0.04 0.42 -1.57 0.00 0.00 175.55 174.46 3bsy s ILE 9 N 0.98 3.29 -0.40 2.71 -1.09 -0.15 -0.23 121.20 126.31 3bsy s ILE 9 Ca 0.41 -1.29 -0.27 0.00 -2.23 0.00 0.00 60.65 57.27 3bsy s ILE 9 Cb -0.18 -2.88 0.02 0.00 -1.58 0.00 0.00 42.46 37.83 3bsy s ILE 9 CO 0.20 -0.14 0.99 -0.47 -1.23 0.00 0.00 174.94 174.29 3bsy s TYR 10 N 1.31 3.01 0.00 3.97 5.04 0.32 -0.94 117.35 130.06 3bsy s TYR 10 Ca -0.04 0.75 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 3bsy s TYR 10 Cb -0.20 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.25 3bsy s TYR 10 CO 0.00 -0.95 0.00 0.41 -1.34 0.00 0.00 175.55 173.67 3bsy n GLY 11 N 4.50 2.01 3.24 8.97 0.00 0.63 0.71 105.19 125.24 3bsy n GLY 11 Ca 0.09 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 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 4.49 -3.42 4.61 0.00 -1.25 -3.59 120.51 121.35 3bsy n ALA 12 Ca 0.00 -4.54 -0.07 0.00 0.00 0.00 0.00 53.44 48.83 3bsy n ALA 12 Cb 0.00 -2.66 -0.02 0.00 0.00 0.00 0.00 19.45 16.77 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 3.31 -0.39 -0.22 0.00 3.41 -1.26 -4.96 113.62 113.51 3bsy n SER 13 Ca 0.30 -1.75 -0.00 0.00 -0.26 0.00 0.00 58.87 57.16 3bsy n SER 13 Cb 0.38 0.79 0.11 0.00 -0.26 0.00 0.00 64.21 65.23 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 0.74 0.94 0.87 5.00 0.00 -1.96 -0.94 103.07 107.72 3bsy h GLY 14 Ca -0.09 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.08 3bsy h GLY 14 CO 0.13 0.06 0.50 0.84 0.00 0.00 0.00 176.54 178.07 3bsy h HIS 15 N 0.55 0.93 -0.65 5.60 -0.00 -1.91 -1.96 115.15 117.71 3bsy h HIS 15 Ca 0.31 0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.80 3bsy h HIS 15 Cb 0.31 -0.31 -0.07 0.00 -0.00 0.00 0.00 27.41 27.34 3bsy h HIS 15 CO -0.12 0.53 0.27 0.78 -0.00 0.00 0.00 177.93 179.39 3bsy h GLY 16 N 0.97 0.94 1.00 5.26 0.00 -1.38 -1.51 103.07 108.34 3bsy h GLY 16 Ca 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 3bsy h GLY 16 CO -0.11 -0.01 0.29 0.17 0.00 0.00 0.00 176.54 176.88 3bsy h LEU 17 N 0.46 0.82 -0.65 3.11 -0.00 -0.48 -0.85 115.31 117.71 3bsy h LEU 17 Ca 0.33 -0.14 -0.14 0.00 -0.00 0.00 0.00 57.88 57.94 3bsy h LEU 17 Cb 0.40 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 3bsy h LEU 17 CO -0.31 0.73 -0.43 -0.37 -0.00 0.00 0.00 178.44 178.06 3bsy h VAL 18 N 0.85 1.30 -0.81 0.15 -1.51 -1.19 -2.32 116.25 112.72 3bsy h VAL 18 Ca 0.21 -1.61 -0.03 0.00 -1.23 0.00 0.00 66.70 64.05 3bsy h VAL 18 Cb 0.13 1.59 -0.04 0.00 -2.13 0.00 0.00 31.29 30.85 3bsy h VAL 18 CO -0.03 0.50 0.39 0.00 -1.23 0.00 0.00 177.57 177.21 3bsy h GLU 20 N 1.15 0.63 -0.71 0.00 4.81 -0.90 -0.18 114.58 119.38 3bsy h GLU 20 Ca 0.28 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3bsy h GLU 20 Cb 0.11 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3bsy h GLU 20 CO -0.04 0.42 0.35 -0.44 -0.73 0.00 0.00 179.01 178.57 3bsy h ASP 21 N 0.65 0.91 -0.29 1.04 3.32 -1.03 0.37 116.42 121.39 3bsy h ASP 21 Ca 0.26 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 3bsy h ASP 21 Cb 0.13 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3bsy h ASP 21 CO -0.15 0.77 0.00 0.58 -1.72 0.00 0.00 179.24 178.71 3bsy h VAL 22 N 1.01 1.26 -0.67 -1.35 2.07 -0.82 0.40 116.25 118.14 3bsy h VAL 22 Ca 0.25 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.86 3bsy h VAL 22 Cb 0.09 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3bsy h VAL 22 CO -0.03 0.30 0.42 0.00 0.02 0.00 0.00 177.57 178.28 3bsy h ALA 23 N 0.83 0.87 -0.24 1.67 0.00 -0.58 -0.11 119.26 121.70 3bsy h ALA 23 Ca 0.08 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3bsy h ALA 23 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3bsy h ALA 23 CO 0.01 0.20 -0.41 0.87 0.00 0.00 0.00 179.25 179.93 3bsy h LYS 24 N 0.84 0.57 -1.00 0.00 1.57 -0.84 -1.75 116.57 115.96 3bsy h LYS 24 Ca 0.27 -0.29 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3bsy h LYS 24 Cb -0.01 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 3bsy h LYS 24 CO -0.10 0.88 0.65 -0.97 -0.57 0.00 0.00 179.45 179.34 3bsy h ASN 25 N 0.47 1.03 0.68 0.86 -0.73 -0.17 -1.64 115.58 116.08 3bsy h ASN 25 Ca 0.04 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.22 3bsy h ASN 25 Cb 0.91 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.29 3bsy h ASN 25 CO 0.08 0.65 0.00 0.23 -0.37 0.00 0.00 177.43 178.02 3bsy n MET 26 N -4.51 0.04 0.00 6.67 2.81 -0.12 -4.87 117.12 117.14 3bsy n MET 26 Ca 0.16 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 3bsy n MET 26 Cb 0.19 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3bsy n MET 26 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3bsy n GLY 27 N 0.64 0.84 3.77 3.03 0.00 -0.62 -5.08 105.19 107.76 3bsy n GLY 27 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 2.65 -0.15 1.61 2.02 -0.72 -4.93 117.35 115.84 3bsy s TYR 28 Ca 0.00 1.37 0.14 0.00 -0.37 0.00 0.00 57.07 58.21 3bsy s TYR 28 Cb 0.00 -3.74 -0.24 0.00 -0.40 0.00 0.00 41.96 37.58 3bsy s TYR 28 CO 0.00 -2.39 0.26 0.36 -1.57 0.00 0.00 175.55 172.20 3bsy n LYS 29 N -0.15 0.67 -4.07 -0.62 2.85 0.59 -4.35 118.16 113.07 3bsy n LYS 29 Ca 0.05 0.12 -0.19 0.00 -1.05 0.00 0.00 58.31 57.24 3bsy n LYS 29 Cb 0.44 -1.62 -0.16 0.00 -0.65 0.00 0.00 35.03 33.03 3bsy n LYS 29 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3bsy s GLU 30 N -2.53 0.67 -0.17 -1.58 -1.05 -0.85 -5.04 118.70 108.14 3bsy s GLU 30 Ca -0.11 -0.04 -0.01 0.00 -0.15 0.00 0.00 54.97 54.66 3bsy s GLU 30 Cb 0.07 -0.75 -0.00 0.00 -0.44 0.00 0.00 34.13 33.01 3bsy s GLU 30 CO 0.81 -0.11 -0.13 0.00 0.95 0.00 0.00 175.26 176.78 3bsy s ILE 32 N 1.02 4.11 0.26 0.00 1.01 0.69 -4.95 121.20 123.34 3bsy s ILE 32 Ca -0.01 -1.14 -0.29 0.00 0.00 0.00 0.00 60.65 59.20 3bsy s ILE 32 Cb -0.15 -3.38 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 3bsy s ILE 32 CO -0.03 -0.29 1.13 -0.36 0.00 0.00 0.00 174.94 175.39 3bsy s PHE 33 N 1.44 3.51 0.03 3.97 0.08 -1.26 -0.98 117.98 124.78 3bsy s PHE 33 Ca 0.01 1.63 0.08 0.00 0.12 0.00 0.00 56.93 58.76 3bsy s PHE 33 Cb -0.20 -3.34 -0.02 0.00 -0.57 0.00 0.00 43.02 38.88 3bsy s PHE 33 CO 0.04 -0.76 -0.22 -0.51 -0.10 0.00 0.00 175.22 173.66 3bsy s LEU 34 N -1.20 2.13 0.27 -0.37 1.43 -0.12 -4.89 118.68 115.94 3bsy s LEU 34 Ca 0.46 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 52.87 3bsy s LEU 34 Cb -0.32 -1.09 0.06 0.00 0.03 0.00 0.00 46.19 44.87 3bsy s LEU 34 CO 0.41 0.21 0.91 -0.62 0.23 0.00 0.00 176.35 177.49 3bsy s ASP 35 N -1.01 -0.03 -1.60 2.29 -1.08 -0.30 -0.27 116.67 114.67 3bsy s ASP 35 Ca 0.09 -0.83 -0.10 0.00 -0.52 0.00 0.00 52.55 51.18 3bsy s ASP 35 Cb -0.09 0.66 -0.07 0.00 -1.46 0.00 0.00 42.92 41.96 3bsy s ASP 35 CO 0.01 -1.29 2.90 -0.67 0.52 0.00 0.00 175.17 176.64 3bsy n ASP 36 N -1.17 8.53 -4.06 -0.34 2.03 -1.26 -3.22 116.55 117.07 3bsy n ASP 36 Ca -0.06 -2.62 -0.15 0.00 0.52 0.00 0.00 54.79 52.48 3bsy n ASP 36 Cb 0.60 -1.55 -0.13 0.00 -0.72 0.00 0.00 41.12 39.32 3bsy n ASP 36 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3bsy s PHE 37 N 2.00 0.75 0.05 -0.67 0.08 -1.26 -5.04 117.98 113.89 3bsy s PHE 37 Ca 0.68 -0.37 -0.37 0.00 0.12 0.00 0.00 56.93 56.99 3bsy s PHE 37 Cb 0.18 -0.45 -0.16 0.00 -0.57 0.00 0.00 43.02 42.01 3bsy s PHE 37 CO -0.06 -0.03 1.40 0.36 -0.10 0.00 0.00 175.22 176.78 3bsy n LYS 38 N 1.91 1.18 0.00 0.44 2.85 -1.26 -1.75 118.16 121.52 3bsy n LYS 38 Ca -0.19 0.43 0.00 0.00 -1.05 0.00 0.00 58.31 57.49 3bsy n LYS 38 Cb 0.55 -2.08 0.00 0.00 -0.65 0.00 0.00 35.03 32.86 3bsy n LYS 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3bsy n GLY 39 N 2.75 1.13 0.79 2.58 0.00 -1.26 -4.84 105.19 106.33 3bsy n GLY 39 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 3bsy n GLY 39 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3bsy n MET 40 N -2.00 0.05 -2.33 1.61 0.00 -0.72 -5.09 117.12 108.64 3bsy n MET 40 Ca 0.00 -1.36 -0.33 0.00 0.00 0.00 0.00 57.70 56.00 3bsy n MET 40 Cb 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 33.22 32.81 3bsy n MET 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3bsy s LYS 41 N -0.11 3.61 0.23 3.17 1.02 -1.20 -1.15 119.74 125.30 3bsy s LYS 41 Ca 0.11 1.29 -0.30 0.00 0.02 0.00 0.00 55.97 57.09 3bsy s LYS 41 Cb 0.13 -2.07 -0.10 0.00 -0.52 0.00 0.00 37.83 35.27 3bsy s LYS 41 CO -0.05 -0.58 1.45 0.12 -0.92 0.00 0.00 175.35 175.37 3bsy s PHE 42 N -2.19 3.04 0.03 3.18 5.36 -1.26 -4.87 117.98 121.26 3bsy s PHE 42 Ca 0.66 0.97 0.03 0.00 -0.96 0.00 0.00 56.93 57.63 3bsy s PHE 42 Cb -0.16 -3.82 -0.02 0.00 -0.34 0.00 0.00 43.02 38.68 3bsy s PHE 42 CO 0.27 -2.74 -0.09 -1.21 -1.46 0.00 0.00 175.22 169.99 3bsy s GLU 43 N -0.10 0.61 0.39 10.12 0.41 -1.26 -5.05 118.70 123.82 3bsy s GLU 43 Ca 0.61 -0.59 0.13 0.00 -0.41 0.00 0.00 54.97 54.71 3bsy s GLU 43 Cb -0.42 -0.51 0.94 0.00 -1.78 0.00 0.00 34.13 32.37 3bsy s GLU 43 CO 0.41 0.12 1.88 0.77 -0.49 0.00 0.00 175.26 177.95 3bsy h SER 44 N 5.07 0.53 -0.57 -0.19 0.02 -1.98 -2.05 113.55 114.38 3bsy h SER 44 Ca -0.34 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3bsy h SER 44 Cb 1.19 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3bsy h SER 44 CO 0.44 0.25 0.00 0.35 -1.14 0.00 0.00 176.83 176.74 3bsy n THR 45 N -4.53 2.52 -1.65 -2.27 -2.24 -1.26 -4.96 114.28 99.88 3bsy n THR 45 Ca 0.17 -1.31 -0.41 0.00 -2.27 0.00 0.00 64.05 60.23 3bsy n THR 45 Cb 0.54 -0.23 0.01 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.68 3.28 -4.72 3.22 4.77 -0.77 -4.92 117.00 118.54 3bsy n LEU 46 Ca 0.26 1.06 -0.42 0.00 -0.03 0.00 0.00 56.01 56.89 3bsy n LEU 46 Cb 1.12 -1.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 3bsy n LEU 46 CO 0.30 -1.11 1.01 -2.65 -1.33 0.00 0.00 177.39 173.61 3bsy n PRO 47 N 0.07 2.34 -2.27 3.23 -0.02 -1.26 -4.87 135.00 132.21 3bsy n PRO 47 Ca 0.08 0.82 -0.43 0.00 -2.02 0.00 0.00 63.50 61.96 3bsy n PRO 47 Cb 0.39 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.38 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 -1.77 4.10 0.14 -0.52 0.00 -1.26 -4.99 119.74 115.43 3bsy s LYS 48 Ca 0.56 1.72 -0.00 0.00 0.00 0.00 0.00 55.97 58.25 3bsy s LYS 48 Cb -0.54 -3.88 -0.04 0.00 0.00 0.00 0.00 37.83 33.37 3bsy s LYS 48 CO 0.61 -0.90 0.04 0.71 0.00 0.00 0.00 175.35 175.81 3bsy s TYR 49 N 4.04 0.94 0.51 1.78 2.02 -1.26 -5.14 117.35 120.24 3bsy s TYR 49 Ca 0.62 -1.17 -0.21 0.00 -0.37 0.00 0.00 57.07 55.94 3bsy s TYR 49 Cb -0.24 -0.53 -0.08 0.00 -0.40 0.00 0.00 41.96 40.70 3bsy s TYR 49 CO 0.22 -0.43 0.88 -0.25 -1.57 0.00 0.00 175.55 174.39 3bsy n ASP 50 N -0.12 0.55 -4.47 2.29 8.00 -1.26 -4.64 116.55 116.90 3bsy n ASP 50 Ca -0.06 0.90 -0.26 0.00 0.71 0.00 0.00 54.79 56.08 3bsy n ASP 50 Cb 0.63 -1.32 -0.11 0.00 -0.02 0.00 0.00 41.12 40.31 3bsy n ASP 50 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3bsy s PHE 51 N -1.45 2.37 0.01 1.24 0.40 0.57 -0.94 117.98 120.18 3bsy s PHE 51 Ca 0.68 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.69 3bsy s PHE 51 Cb -0.49 -1.13 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 3bsy s PHE 51 CO 0.53 0.56 -0.02 0.12 0.70 0.00 0.00 175.22 177.11 3bsy s PHE 52 N -1.90 0.17 -0.44 0.36 5.36 0.68 -1.38 117.98 120.84 3bsy s PHE 52 Ca 0.24 -0.21 -0.12 0.00 -0.96 0.00 0.00 56.93 55.88 3bsy s PHE 52 Cb -0.07 -0.12 0.07 0.00 -0.34 0.00 0.00 43.02 42.56 3bsy s PHE 52 CO 0.12 -0.07 0.32 0.42 -1.46 0.00 0.00 175.22 174.56 3bsy s ILE 53 N -0.56 4.73 -1.08 3.12 1.01 -1.26 -0.52 121.20 126.64 3bsy s ILE 53 Ca -0.05 -1.21 -0.03 0.00 0.00 0.00 0.00 60.65 59.36 3bsy s ILE 53 Cb -0.04 -3.84 0.30 0.00 0.01 0.00 0.00 42.46 38.88 3bsy s ILE 53 CO -0.00 -0.53 1.77 0.00 0.00 0.00 0.00 174.94 176.18 3bsy n ALA 54 N 5.06 5.83 -4.07 9.38 0.00 0.22 -4.91 120.51 132.01 3bsy n ALA 54 Ca -0.11 -4.62 -0.32 0.00 0.00 0.00 0.00 53.44 48.38 3bsy n ALA 54 Cb 0.43 -2.31 -0.16 0.00 0.00 0.00 0.00 19.45 17.41 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 -3.47 1.89 0.18 0.00 1.01 -1.25 -4.08 121.20 115.48 3bsy s ILE 55 Ca 0.38 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 3bsy s ILE 55 Cb 0.14 -1.79 0.07 0.00 0.01 0.00 0.00 42.46 40.89 3bsy s ILE 55 CO -0.05 0.41 1.64 1.23 0.00 0.00 0.00 174.94 178.17 3bsy h GLY 56 N 7.95 1.16 -5.55 6.18 0.00 -1.97 -3.42 103.07 107.43 3bsy h GLY 56 Ca -0.39 -0.86 -0.54 0.00 0.00 0.00 0.00 47.33 45.54 3bsy h GLY 56 CO 0.57 0.79 1.26 0.21 0.00 0.00 0.00 176.54 179.38 3bsy s ASN 57 N -6.59 6.33 0.23 0.19 3.84 -1.26 -4.88 114.94 112.81 3bsy s ASN 57 Ca -0.12 2.56 -0.07 0.00 0.21 0.00 0.00 52.86 55.44 3bsy s ASN 57 Cb 0.14 -2.53 0.25 0.00 -0.55 0.00 0.00 41.25 38.56 3bsy s ASN 57 CO 0.86 -1.16 1.89 0.78 -2.79 0.00 0.00 177.10 176.68 3bsy h ASN 58 N 11.11 0.96 -0.27 -4.21 2.35 -1.85 -0.51 115.58 123.15 3bsy h ASN 58 Ca -0.48 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.13 3bsy h ASN 58 Cb 1.24 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.38 3bsy h ASN 58 CO 0.94 0.67 -0.33 -0.33 -1.65 0.00 0.00 177.43 176.74 3bsy h GLU 59 N 1.12 0.70 -0.34 0.81 3.07 -1.89 -1.51 114.58 116.54 3bsy h GLU 59 Ca 0.34 -0.39 -0.17 0.00 -0.50 0.00 0.00 59.36 58.64 3bsy h GLU 59 Cb -0.04 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 27.89 3bsy h GLU 59 CO -0.10 1.01 -0.46 0.82 -1.40 0.00 0.00 179.01 178.87 3bsy h ILE 60 N 0.43 1.27 -0.70 3.13 2.04 -1.93 -1.87 117.51 119.88 3bsy h ILE 60 Ca 0.04 -1.64 0.04 0.00 1.00 0.00 0.00 64.86 64.29 3bsy h ILE 60 Cb 0.90 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 38.43 3bsy h ILE 60 CO 0.08 0.54 0.43 -0.09 0.00 0.00 0.00 178.15 179.11 3bsy h ARG 61 N 0.72 0.79 -0.35 2.37 2.43 -1.03 -0.50 114.38 118.82 3bsy h ARG 61 Ca 0.04 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3bsy h ARG 61 Cb 1.07 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 3bsy h ARG 61 CO 0.11 0.52 0.16 -0.22 -1.51 0.00 0.00 179.97 179.03 3bsy h LYS 62 N 0.82 0.51 -0.60 0.20 3.64 -1.09 -0.21 116.57 119.84 3bsy h LYS 62 Ca 0.29 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3bsy h LYS 62 Cb 0.07 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3bsy h LYS 62 CO -0.13 0.48 0.37 0.87 -2.27 0.00 0.00 179.45 178.77 3bsy h LYS 63 N 0.43 0.72 -0.22 1.90 1.57 -0.73 -0.71 116.57 119.53 3bsy h LYS 63 Ca 0.12 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.67 3bsy h LYS 63 Cb 0.14 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3bsy h LYS 63 CO -0.01 0.48 -0.60 0.82 -0.57 0.00 0.00 179.45 179.56 3bsy h ILE 64 N 0.74 1.30 -0.24 1.86 1.08 -0.97 -1.80 117.51 119.48 3bsy h ILE 64 Ca 0.24 -1.82 0.06 0.00 -0.39 0.00 0.00 64.86 62.94 3bsy h ILE 64 Cb -0.00 1.77 -0.06 0.00 -3.07 0.00 0.00 36.82 35.46 3bsy h ILE 64 CO -0.09 0.58 -0.12 0.22 -0.69 0.00 0.00 178.15 178.05 3bsy h TYR 65 N 0.55 -0.30 -0.25 1.37 3.20 -0.81 -0.55 116.97 120.19 3bsy h TYR 65 Ca -0.00 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.95 3bsy h TYR 65 Cb 1.20 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 39.59 3bsy h TYR 65 CO 0.07 -0.19 -0.07 1.96 -1.64 0.00 0.00 178.16 178.28 3bsy h GLN 66 N -0.10 -0.02 -0.10 1.82 7.50 -0.97 0.33 115.11 123.58 3bsy h GLN 66 Ca 0.13 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.29 3bsy h GLN 66 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.82 3bsy h GLN 66 CO -0.30 -0.01 0.05 1.57 -1.50 0.00 0.00 178.83 178.64 3bsy h LYS 67 N -0.02 0.11 -0.25 1.46 2.10 -0.88 -0.49 116.57 118.60 3bsy h LYS 67 Ca 0.12 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.70 3bsy h LYS 67 Cb 0.20 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.50 3bsy h LYS 67 CO -0.26 0.07 -0.09 0.82 -2.00 0.00 0.00 179.45 177.99 3bsy h ILE 68 N 0.11 1.29 -0.38 0.07 2.04 -1.01 -2.74 117.51 116.89 3bsy h ILE 68 Ca 0.04 -1.13 0.07 0.00 1.00 0.00 0.00 64.86 64.84 3bsy h ILE 68 Cb 0.00 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 3bsy h ILE 68 CO -0.02 0.35 0.02 -1.28 0.00 0.00 0.00 178.15 177.22 3bsy h SER 69 N 0.24 -0.11 0.52 1.72 0.87 -0.88 -2.13 113.55 113.78 3bsy h SER 69 Ca 0.06 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3bsy h SER 69 Cb 0.57 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 3bsy h SER 69 CO 0.03 -0.02 0.00 -0.62 -0.53 0.00 0.00 176.83 175.69 3bsy n GLU 70 N -5.17 0.18 -0.19 2.24 1.02 -0.20 -1.25 120.64 117.28 3bsy n GLU 70 Ca 0.02 0.49 0.05 0.00 -0.02 0.00 0.00 57.16 57.70 3bsy n GLU 70 Cb 0.19 -1.90 0.15 0.00 -0.02 0.00 0.00 31.44 29.86 3bsy n GLU 70 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3bsy n ASN 71 N -2.26 1.91 -0.46 1.62 4.13 -0.81 -4.93 115.26 114.47 3bsy n ASN 71 Ca 0.01 -2.04 -0.06 0.00 1.68 0.00 0.00 54.58 54.17 3bsy n ASN 71 Cb 0.17 -0.26 -0.02 0.00 -1.54 0.00 0.00 39.78 38.13 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 0.96 0.82 3.93 7.41 0.00 -0.38 -5.04 105.19 112.90 3bsy n GLY 72 Ca 0.11 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.22 3.49 -0.20 1.61 0.08 -1.20 -5.07 117.98 114.47 3bsy s PHE 73 Ca 0.00 0.38 -0.15 0.00 0.12 0.00 0.00 56.93 57.28 3bsy s PHE 73 Cb 0.00 -1.91 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 3bsy s PHE 73 CO 0.00 0.18 0.37 0.21 -0.10 0.00 0.00 175.22 175.88 3bsy s LYS 74 N -4.04 4.16 -0.43 0.44 2.20 -1.26 -4.56 119.74 116.25 3bsy s LYS 74 Ca 0.40 0.15 -0.10 0.00 -0.36 0.00 0.00 55.97 56.07 3bsy s LYS 74 Cb -0.10 -3.54 0.08 0.00 -1.51 0.00 0.00 37.83 32.77 3bsy s LYS 74 CO 0.34 -0.03 0.29 0.42 -0.36 0.00 0.00 175.35 176.01 3bsy s ILE 75 N 1.27 4.34 0.86 5.43 1.01 -1.26 -0.31 121.20 132.54 3bsy s ILE 75 Ca 0.18 -1.41 -0.12 0.00 0.00 0.00 0.00 60.65 59.30 3bsy s ILE 75 Cb -0.15 -3.67 0.11 0.00 0.01 0.00 0.00 42.46 38.76 3bsy s ILE 75 CO 0.08 -0.55 1.17 0.68 0.00 0.00 0.00 174.94 176.32 3bsy s VAL 76 N 1.44 1.99 -0.01 2.92 -7.23 -0.48 -2.54 120.40 116.50 3bsy s VAL 76 Ca 0.03 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.05 3bsy s VAL 76 Cb -0.24 -2.91 -0.06 0.00 0.56 0.00 0.00 36.38 33.73 3bsy s VAL 76 CO 0.02 0.00 0.43 0.20 -0.31 0.00 0.00 175.10 175.44 3bsy s ASN 77 N -4.42 6.81 -0.33 4.85 0.01 -1.26 -2.55 114.94 118.05 3bsy s ASN 77 Ca 0.63 0.96 -0.11 0.00 -0.71 0.00 0.00 52.86 53.64 3bsy s ASN 77 Cb -0.12 -2.27 -0.00 0.00 0.41 0.00 0.00 41.25 39.28 3bsy s ASN 77 CO 0.51 0.27 0.19 -0.76 -1.51 0.00 0.00 177.10 175.79 3bsy s LEU 78 N -0.79 4.36 -0.18 0.60 1.43 -0.19 -4.94 118.68 118.98 3bsy s LEU 78 Ca 0.24 -0.62 -0.00 0.00 -1.03 0.00 0.00 54.13 52.72 3bsy s LEU 78 Cb -0.17 -2.04 0.05 0.00 0.03 0.00 0.00 46.19 44.06 3bsy s LEU 78 CO 0.13 -0.25 -0.05 -0.63 0.23 0.00 0.00 176.35 175.78 3bsy s ILE 79 N 1.63 1.14 0.40 -0.59 1.01 -1.26 -0.62 121.20 122.91 3bsy s ILE 79 Ca 0.04 -0.72 -0.27 0.00 0.00 0.00 0.00 60.65 59.71 3bsy s ILE 79 Cb -0.18 -1.35 -0.09 0.00 0.01 0.00 0.00 42.46 40.85 3bsy s ILE 79 CO 0.07 0.07 1.37 -2.28 0.00 0.00 0.00 174.94 174.18 3bsy s HIS 80 N 1.61 2.72 0.02 3.97 5.65 0.17 -4.79 115.29 124.63 3bsy s HIS 80 Ca -0.00 1.32 0.31 0.00 0.25 0.00 0.00 55.06 56.94 3bsy s HIS 80 Cb -0.16 -3.81 1.50 0.00 -1.18 0.00 0.00 32.58 28.93 3bsy s HIS 80 CO -0.08 -2.46 1.93 0.87 -0.65 0.00 0.00 174.74 174.36 3bsy h LYS 81 N 2.79 0.00 -0.00 2.88 1.57 -1.91 -1.49 116.57 120.41 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 0.63 0.00 -0.17 -1.13 -0.57 0.00 0.00 179.45 178.21 3bsy n SER 82 N -2.66 0.51 -4.75 0.86 3.41 -1.26 -4.86 113.62 104.87 3bsy n SER 82 Ca -0.01 -0.46 -0.41 0.00 -0.26 0.00 0.00 58.87 57.73 3bsy n SER 82 Cb 0.15 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.61 3.53 -0.27 7.33 0.00 -0.56 -3.76 121.76 125.43 3bsy s ALA 83 Ca 0.24 1.20 -0.06 0.00 0.00 0.00 0.00 51.96 53.34 3bsy s ALA 83 Cb 0.19 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 3bsy s ALA 83 CO 0.52 -0.60 0.04 -0.51 0.00 0.00 0.00 175.76 175.21 3bsy s LEU 84 N -0.90 3.51 -0.20 0.00 1.43 -0.01 -4.98 118.68 117.53 3bsy s LEU 84 Ca 0.53 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3bsy s LEU 84 Cb -0.39 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.02 3bsy s LEU 84 CO 0.45 -0.12 -0.14 -0.63 0.23 0.00 0.00 176.35 176.14 3bsy s ILE 85 N 1.51 1.90 0.29 -0.59 1.01 -1.26 -0.23 121.20 123.84 3bsy s ILE 85 Ca 0.04 -1.09 -0.29 0.00 0.00 0.00 0.00 60.65 59.32 3bsy s ILE 85 Cb -0.16 -1.87 -0.14 0.00 0.01 0.00 0.00 42.46 40.30 3bsy s ILE 85 CO 0.01 0.29 1.13 -0.24 0.00 0.00 0.00 174.94 176.13 3bsy n SER 86 N 4.61 1.86 0.25 3.58 2.88 0.15 -4.86 113.62 122.09 3bsy n SER 86 Ca -0.17 1.18 0.18 0.00 -1.33 0.00 0.00 58.87 58.73 3bsy n SER 86 Cb 0.47 -1.36 0.89 0.00 -0.75 0.00 0.00 64.21 63.47 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 2.41 0.00 -0.02 -1.46 0.13 -1.96 -0.98 132.00 130.13 3bsy h PRO 87 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3bsy h PRO 87 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3bsy h PRO 87 CO 0.63 0.00 -0.30 -1.13 -0.23 0.00 0.00 178.00 176.97 3bsy n SER 88 N -3.49 1.99 -4.79 1.44 3.41 -1.26 -4.92 113.62 105.99 3bsy n SER 88 Ca 0.00 -1.49 -0.33 0.00 -0.26 0.00 0.00 58.87 56.79 3bsy n SER 88 Cb 0.31 0.27 0.02 0.00 -0.26 0.00 0.00 64.21 64.55 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 -2.34 2.65 -0.21 7.33 0.00 -0.37 -3.00 121.76 125.82 3bsy s ALA 89 Ca 0.23 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.68 3bsy s ALA 89 Cb 0.19 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 20.07 3bsy s ALA 89 CO 0.49 -0.95 -0.15 0.42 0.00 0.00 0.00 175.76 175.57 3bsy s ILE 90 N -2.35 2.27 -0.21 0.00 1.01 0.24 -4.91 121.20 117.24 3bsy s ILE 90 Ca 0.65 -1.09 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3bsy s ILE 90 Cb -0.18 -2.08 0.03 0.00 0.01 0.00 0.00 42.46 40.24 3bsy s ILE 90 CO 0.37 0.35 -0.14 -0.69 0.00 0.00 0.00 174.94 174.83 3bsy s VAL 91 N 1.26 2.33 0.20 2.92 1.01 -1.26 -0.29 120.40 126.57 3bsy s VAL 91 Ca 0.01 -1.07 -0.32 0.00 0.00 0.00 0.00 61.98 60.60 3bsy s VAL 91 Cb -0.15 -2.11 -0.12 0.00 0.00 0.00 0.00 36.38 33.99 3bsy s VAL 91 CO -0.09 0.35 1.69 -0.62 0.00 0.00 0.00 175.10 176.42 3bsy n GLU 92 N 4.60 2.64 -2.87 2.72 -0.58 -0.91 -4.92 120.64 121.31 3bsy n GLU 92 Ca -0.18 0.95 -0.38 0.00 -0.42 0.00 0.00 57.16 57.13 3bsy n GLU 92 Cb 0.48 -2.78 -0.06 0.00 -0.57 0.00 0.00 31.44 28.51 3bsy n GLU 92 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3bsy s GLU 93 N 1.04 4.56 -1.27 3.49 2.02 -1.26 -3.90 118.70 123.38 3bsy s GLU 93 Ca 0.75 1.23 -0.17 0.00 0.02 0.00 0.00 54.97 56.81 3bsy s GLU 93 Cb -0.54 -2.97 0.01 0.00 0.10 0.00 0.00 34.13 30.72 3bsy s GLU 93 CO 0.34 0.39 0.60 0.09 0.02 0.00 0.00 175.26 176.70 3bsy n ASN 94 N 0.92 -3.10 -0.49 -0.19 3.02 -1.26 -4.91 115.26 109.25 3bsy n ASN 94 Ca -0.01 -1.11 0.05 0.00 -0.03 0.00 0.00 54.58 53.49 3bsy n ASN 94 Cb 0.50 -2.73 0.08 0.00 -0.61 0.00 0.00 39.78 37.02 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 -4.49 2.38 -2.29 5.41 0.00 -1.05 -4.59 120.51 115.88 3bsy n ALA 95 Ca -0.18 -2.12 -0.19 0.00 0.00 0.00 0.00 53.44 50.95 3bsy n ALA 95 Cb 0.62 -0.47 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.63 -0.22 3.75 0.00 0.00 -1.06 -0.15 105.19 106.88 3bsy n GLY 96 Ca 0.09 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.94 4.81 -0.23 -0.61 1.01 -1.26 -3.99 121.20 117.99 3bsy s ILE 97 Ca 0.00 1.51 -0.09 0.00 0.00 0.00 0.00 60.65 62.07 3bsy s ILE 97 Cb 0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3bsy s ILE 97 CO 0.00 0.37 0.12 -0.22 0.00 0.00 0.00 174.94 175.20 3bsy s LEU 98 N -0.00 3.88 -0.24 2.97 2.96 -0.41 -1.02 118.68 126.81 3bsy s LEU 98 Ca 0.36 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 3bsy s LEU 98 Cb -0.20 -2.03 0.06 0.00 0.50 0.00 0.00 46.19 44.53 3bsy s LEU 98 CO 0.21 0.06 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.61 3bsy s ILE 99 N 1.06 1.62 0.89 6.68 1.01 0.21 -0.49 121.20 132.18 3bsy s ILE 99 Ca 0.06 -1.29 -0.14 0.00 0.00 0.00 0.00 60.65 59.28 3bsy s ILE 99 Cb -0.14 -1.87 0.14 0.00 0.01 0.00 0.00 42.46 40.60 3bsy s ILE 99 CO 0.04 -0.10 1.25 -0.04 0.00 0.00 0.00 174.94 176.09 3bsy s MET 100 N 1.35 1.28 0.12 2.79 -1.94 -0.32 -0.66 119.30 121.91 3bsy s MET 100 Ca -0.06 -0.15 -0.36 0.00 -1.71 0.00 0.00 55.69 53.41 3bsy s MET 100 Cb -0.19 -1.90 -0.16 0.00 2.01 0.00 0.00 34.83 34.60 3bsy s MET 100 CO -0.06 -2.02 1.43 -2.30 -0.01 0.00 0.00 175.02 172.05 3bsy n PRO 101 N -3.56 1.53 -1.14 2.03 -0.02 -1.26 -2.86 135.00 129.73 3bsy n PRO 101 Ca 0.12 0.55 -0.05 0.00 -2.02 0.00 0.00 63.50 62.10 3bsy n PRO 101 Cb 0.60 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 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 2.84 0.00 -1.92 6.00 4.01 -1.25 -1.82 117.16 125.03 3bsy n TYR 102 Ca 0.18 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.52 3bsy n TYR 102 Cb 0.23 -1.32 0.01 0.00 -0.31 0.00 0.00 39.34 37.94 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 -2.02 2.33 -0.08 -0.72 1.01 -1.13 -4.13 120.40 115.66 3bsy s VAL 103 Ca 0.00 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.32 3bsy s VAL 103 Cb 0.00 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 3bsy s VAL 103 CO 0.00 0.04 -0.22 -0.69 0.00 0.00 0.00 175.10 174.24 3bsy s VAL 104 N -1.23 1.85 -0.19 2.92 1.01 -1.00 -0.83 120.40 122.93 3bsy s VAL 104 Ca 0.59 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3bsy s VAL 104 Cb -0.41 -1.59 0.04 0.00 0.00 0.00 0.00 36.38 34.41 3bsy s VAL 104 CO 0.53 0.52 -0.12 -0.63 0.00 0.00 0.00 175.10 175.39 3bsy s ILE 105 N 0.20 1.72 0.63 2.22 1.01 0.68 -0.68 121.20 126.97 3bsy s ILE 105 Ca -0.12 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.60 3bsy s ILE 105 Cb -0.16 -1.72 0.10 0.00 0.01 0.00 0.00 42.46 40.69 3bsy s ILE 105 CO 0.06 0.26 0.87 0.20 0.00 0.00 0.00 174.94 176.34 3bsy s ASN 106 N 1.38 4.78 0.13 3.58 0.01 -0.24 -0.67 114.94 123.91 3bsy s ASN 106 Ca 0.00 -0.49 -0.34 0.00 -0.71 0.00 0.00 52.86 51.32 3bsy s ASN 106 Cb -0.15 -0.04 -0.17 0.00 0.41 0.00 0.00 41.25 41.29 3bsy s ASN 106 CO -0.09 -1.54 1.06 0.00 -1.51 0.00 0.00 177.10 175.02 3bsy n ALA 107 N -2.52 -1.82 -0.72 0.60 0.00 -1.26 -2.43 120.51 112.36 3bsy n ALA 107 Ca 0.14 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3bsy n ALA 107 Cb 0.61 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3bsy n ALA 107 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3bsy n LYS 108 N 1.64 -0.55 -1.87 0.00 5.02 -1.16 -0.97 118.16 120.26 3bsy n LYS 108 Ca 0.17 0.14 -0.35 0.00 -2.02 0.00 0.00 58.31 56.25 3bsy n LYS 108 Cb 0.20 -4.33 0.05 0.00 -0.02 0.00 0.00 35.03 30.93 3bsy n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bsy s ALA 109 N -1.39 2.45 -0.11 7.82 0.00 -1.02 -4.12 121.76 125.39 3bsy s ALA 109 Ca 0.00 0.93 0.02 0.00 0.00 0.00 0.00 51.96 52.91 3bsy s ALA 109 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.69 3bsy s ALA 109 CO 0.00 -1.32 -0.18 0.15 0.00 0.00 0.00 175.76 174.41 3bsy s LYS 110 N -3.54 2.49 -0.23 0.00 1.02 0.57 -0.59 119.74 119.46 3bsy s LYS 110 Ca 0.76 -0.67 -0.04 0.00 0.02 0.00 0.00 55.97 56.03 3bsy s LYS 110 Cb -0.29 -2.01 -0.01 0.00 -0.52 0.00 0.00 37.83 35.00 3bsy s LYS 110 CO 0.36 0.02 -0.03 0.42 -0.92 0.00 0.00 175.35 175.21 3bsy s ILE 111 N 0.75 3.48 0.60 2.17 -1.09 0.60 -0.87 121.20 126.84 3bsy s ILE 111 Ca -0.11 -0.46 -0.01 0.00 -2.23 0.00 0.00 60.65 57.84 3bsy s ILE 111 Cb -0.16 -2.60 0.05 0.00 -1.58 0.00 0.00 42.46 38.17 3bsy s ILE 111 CO 0.02 0.41 0.85 -1.61 -1.23 0.00 0.00 174.94 173.37 3bsy s GLU 112 N 1.49 2.41 0.47 2.79 2.02 -0.84 -2.15 118.70 124.89 3bsy s GLU 112 Ca 0.06 -0.66 -0.23 0.00 0.02 0.00 0.00 54.97 54.16 3bsy s GLU 112 Cb -0.14 -2.39 -0.09 0.00 0.10 0.00 0.00 34.13 31.61 3bsy s GLU 112 CO -0.02 -0.89 1.13 0.36 0.02 0.00 0.00 175.26 175.86 3bsy n LYS 113 N -2.52 1.52 -0.96 1.61 2.85 -1.26 -3.08 118.16 116.31 3bsy n LYS 113 Ca 0.08 0.55 0.00 0.00 -1.05 0.00 0.00 58.31 57.89 3bsy n LYS 113 Cb 0.60 -2.25 0.00 0.00 -0.65 0.00 0.00 35.03 32.73 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 1.02 0.32 3.77 2.58 0.00 0.79 -0.81 105.19 112.85 3bsy n GLY 114 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.73 3.09 -0.21 1.61 1.01 -1.18 -3.96 120.40 119.03 3bsy s VAL 115 Ca 0.00 0.94 -0.06 0.00 0.00 0.00 0.00 61.98 62.86 3bsy s VAL 115 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3bsy s VAL 115 CO 0.00 0.11 0.03 -0.63 0.00 0.00 0.00 175.10 174.61 3bsy s ILE 116 N -1.36 4.22 -0.38 2.22 1.01 -0.34 -1.29 121.20 125.28 3bsy s ILE 116 Ca 0.56 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.96 3bsy s ILE 116 Cb -0.32 -2.92 0.09 0.00 0.01 0.00 0.00 42.46 39.32 3bsy s ILE 116 CO 0.41 0.41 0.15 -0.76 0.00 0.00 0.00 174.94 175.15 3bsy s LEU 117 N 1.00 4.87 0.82 2.97 1.43 0.35 -0.49 118.68 129.62 3bsy s LEU 117 Ca 0.03 -1.80 -0.11 0.00 -1.03 0.00 0.00 54.13 51.23 3bsy s LEU 117 Cb -0.14 -1.80 0.12 0.00 0.03 0.00 0.00 46.19 44.40 3bsy s LEU 117 CO 0.02 -0.46 1.16 0.21 0.23 0.00 0.00 176.35 177.51 3bsy s ASN 118 N 1.64 4.11 -0.11 2.29 3.84 0.17 -1.18 114.94 125.70 3bsy s ASN 118 Ca 0.05 0.38 -0.40 0.00 0.21 0.00 0.00 52.86 53.10 3bsy s ASN 118 Cb -0.22 -0.75 -0.17 0.00 -0.55 0.00 0.00 41.25 39.55 3bsy s ASN 118 CO -0.03 -2.09 1.44 0.41 -2.79 0.00 0.00 177.10 174.03 3bsy n THR 119 N -3.30 0.09 -1.51 -5.21 -1.04 -1.26 -1.86 114.28 100.19 3bsy n THR 119 Ca 0.11 -0.02 -0.16 0.00 -2.04 0.00 0.00 64.05 61.95 3bsy n THR 119 Cb 0.60 -0.73 -0.07 0.00 -1.82 0.00 0.00 70.33 68.32 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 3.33 -4.94 -4.81 8.00 7.64 -0.75 -0.98 113.62 121.10 3bsy n SER 120 Ca 0.23 0.38 -0.31 0.00 1.01 0.00 0.00 58.87 60.17 3bsy n SER 120 Cb 0.12 -3.87 0.05 0.00 -1.01 0.00 0.00 64.21 59.51 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 -2.80 5.29 -0.05 6.43 1.04 -0.78 -4.00 113.70 118.82 3bsy s SER 121 Ca 0.00 1.66 0.02 0.00 0.48 0.00 0.00 55.95 58.11 3bsy s SER 121 Cb 0.00 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.63 3bsy s SER 121 CO 0.00 -1.51 -0.08 -0.69 0.98 0.00 0.00 173.24 171.94 3bsy s VAL 122 N -2.98 0.78 -0.33 5.02 1.01 -0.84 -2.38 120.40 120.67 3bsy s VAL 122 Ca 0.59 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 3bsy s VAL 122 Cb -0.15 -0.75 0.06 0.00 0.00 0.00 0.00 36.38 35.55 3bsy s VAL 122 CO 0.54 0.27 0.07 -0.63 0.00 0.00 0.00 175.10 175.35 3bsy s ILE 123 N 0.72 3.22 0.96 2.22 -1.09 0.14 -1.15 121.20 126.23 3bsy s ILE 123 Ca -0.12 -1.48 -0.13 0.00 -2.23 0.00 0.00 60.65 56.69 3bsy s ILE 123 Cb -0.14 -2.93 0.17 0.00 -1.58 0.00 0.00 42.46 37.98 3bsy s ILE 123 CO 0.02 -0.25 1.13 -1.61 -1.23 0.00 0.00 174.94 173.00 3bsy s GLU 124 N 1.26 0.70 0.30 2.79 0.41 -0.61 -1.08 118.70 122.47 3bsy s GLU 124 Ca -0.02 0.29 -0.29 0.00 -0.41 0.00 0.00 54.97 54.55 3bsy s GLU 124 Cb -0.20 -1.79 -0.13 0.00 -1.78 0.00 0.00 34.13 30.22 3bsy s GLU 124 CO -0.01 -2.50 1.16 -2.39 -0.49 0.00 0.00 175.26 171.03 3bsy n HIS 125 N -3.97 1.73 -1.02 1.61 1.44 -1.26 -2.55 115.22 111.20 3bsy n HIS 125 Ca 0.07 0.62 -0.01 0.00 -2.01 0.00 0.00 57.72 56.39 3bsy n HIS 125 Cb 0.59 -2.33 -0.00 0.00 0.12 0.00 0.00 29.99 28.36 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 0.86 -0.95 -1.50 -1.40 1.02 -0.15 -1.05 120.64 117.47 3bsy n GLU 126 Ca 0.08 0.27 -0.33 0.00 -0.02 0.00 0.00 57.16 57.17 3bsy n GLU 126 Cb 0.33 -4.01 0.08 0.00 -0.02 0.00 0.00 31.44 27.81 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 -2.41 1.34 -0.36 0.00 1.01 -0.30 -0.32 120.40 119.37 3bsy s VAL 128 Ca 0.67 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 3bsy s VAL 128 Cb -0.22 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 34.87 3bsy s VAL 128 CO 0.47 0.36 0.16 -0.63 0.00 0.00 0.00 175.10 175.46 3bsy s ILE 129 N 1.57 4.16 0.61 2.22 -1.09 -0.05 -0.60 121.20 128.03 3bsy s ILE 129 Ca 0.04 -1.04 -0.18 0.00 -2.23 0.00 0.00 60.65 57.24 3bsy s ILE 129 Cb -0.13 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 3bsy s ILE 129 CO -0.09 -0.23 1.21 -0.83 -1.23 0.00 0.00 174.94 173.77 3bsy s GLY 130 N 1.52 2.70 0.32 6.18 0.00 0.41 -1.98 107.32 116.47 3bsy s GLY 130 Ca 0.00 1.00 -0.27 0.00 0.00 0.00 0.00 44.72 45.46 3bsy s GLY 130 CO 0.04 1.40 0.95 -1.84 0.00 0.00 0.00 173.10 173.65 3bsy n GLU 131 N -1.75 1.24 -1.89 2.90 0.28 -1.26 -2.08 120.64 118.08 3bsy n GLU 131 Ca 0.14 0.44 -0.19 0.00 -0.16 0.00 0.00 57.16 57.39 3bsy n GLU 131 Cb 0.50 -1.82 -0.05 0.00 1.43 0.00 0.00 31.44 31.49 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 -0.01 -0.51 -2.06 -1.84 3.72 0.01 -0.69 117.46 116.07 3bsy n PHE 132 Ca 0.10 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.19 3bsy n PHE 132 Cb 0.34 -3.41 -0.00 0.00 -0.94 0.00 0.00 39.48 35.46 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 -2.37 6.36 -0.18 4.37 0.01 -0.88 -3.85 113.70 117.15 3bsy s SER 133 Ca 0.00 1.46 -0.00 0.00 1.31 0.00 0.00 55.95 58.71 3bsy s SER 133 Cb 0.00 -2.48 0.05 0.00 0.21 0.00 0.00 66.02 63.80 3bsy s SER 133 CO 0.00 -0.77 -0.05 -2.28 0.41 0.00 0.00 173.24 170.55 3bsy s HIS 134 N -2.99 1.81 -0.40 2.43 2.46 0.44 -1.20 115.29 117.84 3bsy s HIS 134 Ca 0.56 -1.21 -0.14 0.00 0.47 0.00 0.00 55.06 54.74 3bsy s HIS 134 Cb -0.11 -1.36 0.02 0.00 -0.13 0.00 0.00 32.58 31.00 3bsy s HIS 134 CO 0.46 -0.65 0.28 0.08 -2.47 0.00 0.00 174.74 172.45 3bsy s VAL 135 N 1.59 5.14 1.11 0.89 1.01 0.35 -0.33 120.40 130.17 3bsy s VAL 135 Ca -0.01 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 3bsy s VAL 135 Cb -0.16 -3.86 0.25 0.00 0.00 0.00 0.00 36.38 32.61 3bsy s VAL 135 CO -0.08 -0.29 1.18 -0.44 0.00 0.00 0.00 175.10 175.47 3bsy s SER 136 N 1.66 1.71 0.02 3.32 0.01 -0.08 -0.66 113.70 119.68 3bsy s SER 136 Ca 0.04 0.54 -0.34 0.00 1.31 0.00 0.00 55.95 57.50 3bsy s SER 136 Cb -0.19 -0.74 -0.13 0.00 0.21 0.00 0.00 66.02 65.17 3bsy s SER 136 CO 0.09 -3.62 1.73 0.52 0.41 0.00 0.00 173.24 172.37 3bsy n VAL 137 N -4.41 0.31 -0.93 3.43 0.31 -1.26 -1.74 118.33 114.04 3bsy n VAL 137 Ca 0.13 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3bsy n VAL 137 Cb 0.59 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 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 3.92 0.34 3.77 2.92 0.00 -0.15 -1.10 105.19 114.89 3bsy n GLY 138 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.85 3.19 -0.03 4.61 0.00 -0.71 -4.19 121.76 122.78 3bsy s ALA 139 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3bsy s ALA 139 Cb 0.00 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.88 3bsy s ALA 139 CO 0.00 -0.10 -0.00 0.15 0.00 0.00 0.00 175.76 175.81 3bsy s LYS 140 N -2.11 0.36 -0.22 0.00 1.02 -0.38 -1.99 119.74 116.43 3bsy s LYS 140 Ca 0.52 0.07 -0.08 0.00 0.02 0.00 0.00 55.97 56.51 3bsy s LYS 140 Cb -0.24 -0.56 -0.04 0.00 -0.52 0.00 0.00 37.83 36.48 3bsy s LYS 140 CO 0.30 -0.15 0.08 0.00 -0.92 0.00 0.00 175.35 174.66 3bsy n ALA 142 N 4.22 -2.35 -1.76 0.00 0.00 -0.40 -1.57 120.51 118.64 3bsy n ALA 142 Ca -0.16 -1.33 -0.38 0.00 0.00 0.00 0.00 53.44 51.57 3bsy n ALA 142 Cb 0.52 -0.09 0.02 0.00 0.00 0.00 0.00 19.45 19.90 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 -4.41 2.88 -1.47 0.00 0.00 -1.26 -3.38 107.32 99.68 3bsy s GLY 143 Ca 0.58 1.25 -0.07 0.00 0.00 0.00 0.00 44.72 46.47 3bsy s GLY 143 CO 0.43 1.78 0.74 -2.01 0.00 0.00 0.00 173.10 174.04 3bsy n ASN 144 N -0.58 -5.58 -4.80 1.64 5.15 -0.22 -1.12 115.26 109.76 3bsy n ASN 144 Ca 0.08 -0.41 -0.38 0.00 -0.60 0.00 0.00 54.58 53.27 3bsy n ASN 144 Cb 0.45 -4.49 -0.06 0.00 -0.53 0.00 0.00 39.78 35.15 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 -3.17 5.08 -0.35 3.44 1.01 -1.22 -3.33 120.40 121.86 3bsy s VAL 145 Ca 0.42 0.85 -0.05 0.00 0.00 0.00 0.00 61.98 63.19 3bsy s VAL 145 Cb -0.20 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.51 3bsy s VAL 145 CO 0.52 0.50 0.11 -1.59 0.00 0.00 0.00 175.10 174.64 3bsy s LYS 146 N -0.53 2.49 -0.21 2.72 0.00 -0.09 -1.15 119.74 122.97 3bsy s LYS 146 Ca 0.24 -1.32 -0.16 0.00 0.00 0.00 0.00 55.97 54.73 3bsy s LYS 146 Cb -0.16 -3.45 -0.04 0.00 0.00 0.00 0.00 37.83 34.18 3bsy s LYS 146 CO 0.12 -0.75 0.40 0.42 0.00 0.00 0.00 175.35 175.54 3bsy s ILE 147 N 1.33 5.19 0.98 3.79 -1.09 0.23 -0.66 121.20 130.98 3bsy s ILE 147 Ca -0.01 0.69 -0.12 0.00 -2.23 0.00 0.00 60.65 58.99 3bsy s ILE 147 Cb -0.20 -3.73 0.18 0.00 -1.58 0.00 0.00 42.46 37.13 3bsy s ILE 147 CO 0.01 0.23 1.08 -0.83 -1.23 0.00 0.00 174.94 174.21 3bsy s GLY 148 N 1.14 1.61 0.51 6.18 0.00 -0.02 -0.44 107.32 116.29 3bsy s GLY 148 Ca 0.19 0.07 -0.23 0.00 0.00 0.00 0.00 44.72 44.74 3bsy s GLY 148 CO 0.08 0.61 1.30 0.28 0.00 0.00 0.00 173.10 175.37 3bsy n LYS 149 N -4.28 1.72 -1.39 2.90 4.01 -1.26 -3.15 118.16 116.70 3bsy n LYS 149 Ca 0.07 0.63 -0.13 0.00 -0.51 0.00 0.00 58.31 58.36 3bsy n LYS 149 Cb 0.54 -2.48 -0.06 0.00 -0.51 0.00 0.00 35.03 32.52 3bsy n LYS 149 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3bsy n ASN 150 N -0.57 -5.22 -4.82 4.39 3.02 0.13 -0.77 115.26 111.42 3bsy n ASN 150 Ca 0.09 0.33 -0.31 0.00 -0.03 0.00 0.00 54.58 54.66 3bsy n ASN 150 Cb 0.43 -3.89 0.04 0.00 -0.61 0.00 0.00 39.78 35.75 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 -2.96 1.35 -0.29 0.00 5.36 -0.47 -0.42 117.98 120.55 3bsy s PHE 152 Ca 0.58 -0.74 -0.08 0.00 -0.96 0.00 0.00 56.93 55.73 3bsy s PHE 152 Cb -0.14 -1.16 -0.01 0.00 -0.34 0.00 0.00 43.02 41.38 3bsy s PHE 152 CO 0.51 -0.52 0.11 -0.51 -1.46 0.00 0.00 175.22 173.35 3bsy s LEU 153 N 1.75 3.83 1.06 6.12 1.43 0.55 -0.34 118.68 133.08 3bsy s LEU 153 Ca 0.03 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 3bsy s LEU 153 Cb -0.14 -1.94 0.22 0.00 0.03 0.00 0.00 46.19 44.36 3bsy s LEU 153 CO -0.07 -0.15 1.10 -0.83 0.23 0.00 0.00 176.35 176.63 3bsy s GLY 154 N 1.58 1.57 0.15 -3.19 0.00 0.15 -0.90 107.32 106.67 3bsy s GLY 154 Ca 0.04 -0.55 -0.34 0.00 0.00 0.00 0.00 44.72 43.88 3bsy s GLY 154 CO 0.04 0.15 1.48 4.51 0.00 0.00 0.00 173.10 179.28 3bsy n ILE 155 N -4.34 0.12 -1.92 0.90 3.06 -1.26 -1.90 119.36 114.01 3bsy n ILE 155 Ca 0.07 -0.03 -0.18 0.00 -2.50 0.00 0.00 62.75 60.11 3bsy n ILE 155 Cb 0.58 -1.32 -0.05 0.00 0.54 0.00 0.00 39.64 39.40 3bsy n ILE 155 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 3bsy n ASN 156 N 3.01 -4.90 -4.90 9.51 5.15 -0.26 -0.11 115.26 122.76 3bsy n ASN 156 Ca 0.17 0.27 -0.29 0.00 -0.60 0.00 0.00 54.58 54.13 3bsy n ASN 156 Cb 0.26 -4.26 0.06 0.00 -0.53 0.00 0.00 39.78 35.31 3bsy n ASN 156 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3bsy s SER 157 N -2.29 5.20 0.12 1.20 1.04 -0.80 -4.00 113.70 114.17 3bsy s SER 157 Ca 0.00 0.88 -0.13 0.00 0.48 0.00 0.00 55.95 57.17 3bsy s SER 157 Cb 0.00 -1.63 0.02 0.00 0.10 0.00 0.00 66.02 64.51 3bsy s SER 157 CO 0.00 -1.43 0.34 0.00 0.98 0.00 0.00 173.24 173.12 3bsy s VAL 159 N -3.84 0.92 0.86 0.00 1.01 -0.64 -1.06 120.40 117.65 3bsy s VAL 159 Ca 0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 3bsy s VAL 159 Cb 0.03 -0.89 0.10 0.00 0.00 0.00 0.00 36.38 35.62 3bsy s VAL 159 CO -0.10 0.32 1.09 -0.76 0.00 0.00 0.00 175.10 175.66 3bsy s LEU 160 N 1.01 2.42 0.64 3.92 1.02 -0.67 -1.28 118.68 125.74 3bsy s LEU 160 Ca -0.09 1.46 -0.18 0.00 0.02 0.00 0.00 54.13 55.34 3bsy s LEU 160 Cb -0.15 -3.96 -0.02 0.00 0.02 0.00 0.00 46.19 42.09 3bsy s LEU 160 CO -0.00 -2.38 1.23 -2.65 0.02 0.00 0.00 176.35 172.56 3bsy n PRO 161 N -3.71 1.07 -1.48 1.29 -0.02 -1.26 -3.58 135.00 127.30 3bsy n PRO 161 Ca 0.07 0.42 -0.16 0.00 -2.02 0.00 0.00 63.50 61.81 3bsy n PRO 161 Cb 0.55 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 3bsy n PRO 161 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3bsy n ASN 162 N -1.68 -4.90 -4.89 2.55 5.03 -0.28 -4.97 115.26 106.13 3bsy n ASN 162 Ca 0.15 0.38 -0.26 0.00 0.87 0.00 0.00 54.58 55.73 3bsy n ASN 162 Cb 0.48 -3.80 -0.04 0.00 -1.02 0.00 0.00 39.78 35.40 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 -3.62 4.11 -0.04 3.41 1.43 -1.23 -4.94 118.68 117.79 3bsy s LEU 163 Ca 0.00 0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.18 3bsy s LEU 163 Cb 0.00 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 3bsy s LEU 163 CO 0.00 0.05 -0.20 -0.44 0.23 0.00 0.00 176.35 175.99 3bsy s SER 164 N -3.25 2.44 -0.18 2.29 0.01 -1.26 -0.91 113.70 112.84 3bsy s SER 164 Ca 0.33 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 3bsy s SER 164 Cb -0.10 -0.63 -0.00 0.00 0.21 0.00 0.00 66.02 65.50 3bsy s SER 164 CO 0.26 0.19 -0.13 -0.22 0.41 0.00 0.00 173.24 173.75 3bsy s LEU 165 N -0.08 2.54 0.54 2.44 2.96 0.16 -1.28 118.68 125.97 3bsy s LEU 165 Ca -0.02 -0.47 -0.22 0.00 -0.22 0.00 0.00 54.13 53.19 3bsy s LEU 165 Cb -0.12 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 3bsy s LEU 165 CO 0.02 0.05 1.38 0.00 -1.32 0.00 0.00 176.35 176.48 3bsy s ALA 166 N 1.05 2.85 0.22 5.97 0.00 0.38 -0.84 121.76 131.38 3bsy s ALA 166 Ca -0.01 1.37 -0.29 0.00 0.00 0.00 0.00 51.96 53.04 3bsy s ALA 166 Cb -0.15 -3.58 -0.16 0.00 0.00 0.00 0.00 23.12 19.23 3bsy s ALA 166 CO -0.03 -1.41 0.72 -0.25 0.00 0.00 0.00 175.76 174.79 3bsy n ASP 167 N -0.99 -0.28 -1.17 0.00 8.00 -1.26 -2.79 116.55 118.05 3bsy n ASP 167 Ca 0.10 1.15 -0.11 0.00 0.71 0.00 0.00 54.79 56.64 3bsy n ASP 167 Cb 0.44 -1.07 -0.01 0.00 -0.02 0.00 0.00 41.12 40.46 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 1.73 -3.76 -4.96 -2.24 8.00 0.05 -4.60 116.55 110.77 3bsy n ASP 168 Ca 0.15 0.05 -0.22 0.00 0.71 0.00 0.00 54.79 55.48 3bsy n ASP 168 Cb 0.27 -2.83 -0.01 0.00 -0.02 0.00 0.00 41.12 38.53 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 -2.58 6.15 -0.09 -2.24 0.01 -1.12 -4.52 113.70 109.30 3bsy s SER 169 Ca 0.00 0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.50 3bsy s SER 169 Cb 0.00 -1.75 0.01 0.00 0.21 0.00 0.00 66.02 64.49 3bsy s SER 169 CO 0.00 -0.35 -0.17 -0.63 0.41 0.00 0.00 173.24 172.50 3bsy s ILE 170 N -2.26 1.59 -0.25 1.44 1.01 -0.25 -1.37 121.20 121.09 3bsy s ILE 170 Ca 0.41 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 60.25 3bsy s ILE 170 Cb -0.10 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3bsy s ILE 170 CO 0.34 0.46 0.12 -0.22 0.00 0.00 0.00 174.94 175.63 3bsy s LEU 171 N 0.65 3.72 0.76 2.97 2.96 0.54 -0.64 118.68 129.65 3bsy s LEU 171 Ca -0.13 -0.09 -0.13 0.00 -0.22 0.00 0.00 54.13 53.55 3bsy s LEU 171 Cb -0.16 -2.01 0.05 0.00 0.50 0.00 0.00 46.19 44.57 3bsy s LEU 171 CO 0.04 -0.02 1.15 -0.83 -1.32 0.00 0.00 176.35 175.37 3bsy s GLY 172 N 1.53 2.04 0.19 7.98 0.00 0.35 0.32 107.32 119.74 3bsy s GLY 172 Ca 0.06 0.63 -0.32 0.00 0.00 0.00 0.00 44.72 45.08 3bsy s GLY 172 CO 0.06 1.01 1.24 0.61 0.00 0.00 0.00 173.10 176.02 3bsy n GLY 173 N -0.17 0.28 3.41 0.20 0.00 -1.26 -1.43 105.19 106.22 3bsy n GLY 173 Ca 0.12 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 2.08 0.86 3.78 -0.02 0.00 0.84 -4.78 105.19 107.96 3bsy n GLY 174 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.84 3.04 -0.30 4.61 0.00 -0.51 -4.66 121.76 121.10 3bsy s ALA 175 Ca 0.00 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.69 3bsy s ALA 175 Cb 0.00 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.90 3bsy s ALA 175 CO 0.00 -0.28 -0.03 0.99 0.00 0.00 0.00 175.76 176.44 3bsy s THR 176 N -1.70 2.49 -0.29 0.00 2.01 -0.78 -1.07 115.64 116.30 3bsy s THR 176 Ca 0.60 -1.72 -0.28 0.00 0.31 0.00 0.00 61.69 60.59 3bsy s THR 176 Cb -0.22 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.76 3bsy s THR 176 CO 0.27 -0.20 1.03 -0.22 -0.69 0.00 0.00 174.62 174.82 3bsy s LEU 177 N 1.11 3.99 0.00 4.42 2.96 -0.22 -0.61 118.68 130.33 3bsy s LEU 177 Ca -0.03 1.10 0.07 0.00 -0.22 0.00 0.00 54.13 55.05 3bsy s LEU 177 Cb -0.20 -3.49 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 3bsy s LEU 177 CO -0.04 -0.79 0.44 1.33 -1.32 0.00 0.00 176.35 175.97 3bsy n VAL 178 N 5.68 0.00 -4.07 1.68 0.24 -1.26 -1.68 118.33 118.93 3bsy n VAL 178 Ca 0.11 -0.39 -0.11 0.00 -2.04 0.00 0.00 64.34 61.91 3bsy n VAL 178 Cb 0.47 1.05 -0.11 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 -1.35 0.54 0.43 7.34 3.01 -1.26 -4.96 119.74 123.49 3bsy s LYS 179 Ca 0.05 -0.86 -0.24 0.00 -1.01 0.00 0.00 55.97 53.91 3bsy s LYS 179 Cb 0.06 -0.16 -0.10 0.00 -1.01 0.00 0.00 37.83 36.62 3bsy s LYS 179 CO 0.23 0.01 0.95 0.09 0.51 0.00 0.00 175.35 177.13 3bsy n ASN 180 N 1.13 0.96 -3.73 2.83 5.03 -1.26 -4.85 115.26 115.37 3bsy n ASN 180 Ca -0.21 1.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.95 3bsy n ASN 180 Cb 0.56 -1.33 -0.15 0.00 -1.02 0.00 0.00 39.78 37.85 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 0.71 0.00 3.52 -1.52 -0.40 -4.97 119.66 114.99 3bsy s GLN 181 Ca 0.64 -0.96 0.24 0.00 -1.95 0.00 0.00 55.36 53.33 3bsy s GLN 181 Cb -0.55 -1.98 0.40 0.00 -0.22 0.00 0.00 33.01 30.66 3bsy s GLN 181 CO 0.56 -0.93 1.38 -0.40 -0.25 0.00 0.00 175.29 175.65 3bsy n ASP 182 N 4.89 2.80 -4.30 5.90 5.68 -1.26 -0.47 116.55 129.78 3bsy n ASP 182 Ca -0.03 -1.91 -0.35 0.00 -0.50 0.00 0.00 54.79 52.00 3bsy n ASP 182 Cb 0.43 -0.06 -0.14 0.00 -1.14 0.00 0.00 41.12 40.21 3bsy n ASP 182 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3bsy s GLU 183 N -1.88 3.32 0.62 0.11 2.02 -1.26 -4.81 118.70 116.82 3bsy s GLU 183 Ca 0.32 -0.66 -0.18 0.00 0.02 0.00 0.00 54.97 54.47 3bsy s GLU 183 Cb 0.21 -3.00 -0.05 0.00 0.10 0.00 0.00 34.13 31.39 3bsy s GLU 183 CO 0.31 -0.22 0.89 0.36 0.02 0.00 0.00 175.26 176.62 3bsy n LYS 184 N 4.79 0.77 -3.04 1.61 2.85 -1.26 -4.87 118.16 119.00 3bsy n LYS 184 Ca -0.18 0.31 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 3bsy n LYS 184 Cb 0.50 -2.10 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 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 1.36 -1.19 3.30 2.58 0.00 -1.26 -5.02 105.19 104.96 3bsy n GLY 185 Ca 0.14 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.00 3.16 -0.17 1.61 1.01 -1.26 -1.09 120.40 120.66 3bsy s VAL 186 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3bsy s VAL 186 Cb 0.00 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.99 3bsy s VAL 186 CO 0.00 0.46 -0.19 -0.36 0.00 0.00 0.00 175.10 175.00 3bsy s PHE 187 N 1.24 2.75 0.09 5.22 0.08 0.19 0.21 117.98 127.76 3bsy s PHE 187 Ca 0.03 -1.45 0.05 0.00 0.12 0.00 0.00 56.93 55.67 3bsy s PHE 187 Cb -0.14 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.38 3bsy s PHE 187 CO -0.03 -0.70 -0.12 0.14 -0.10 0.00 0.00 175.22 174.41 3bsy s VAL 188 N 1.09 1.06 0.00 -0.44 -7.23 -0.36 -0.50 120.40 114.02 3bsy s VAL 188 Ca -0.00 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 3bsy s VAL 188 Cb -0.14 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.52 3bsy s VAL 188 CO -0.07 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 174.90 3bsy n GLY 189 N 0.80 0.31 3.03 2.32 0.00 -1.26 -0.50 105.19 109.90 3bsy n GLY 189 Ca -0.18 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.56 2.36 0.63 1.61 1.01 -1.26 -1.57 120.40 121.62 3bsy s VAL 190 Ca 0.00 -2.28 -0.09 0.00 0.00 0.00 0.00 61.98 59.61 3bsy s VAL 190 Cb 0.00 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 3bsy s VAL 190 CO 0.00 -0.57 0.99 -2.16 0.00 0.00 0.00 175.10 173.36 3bsy s PRO 191 N 0.93 3.15 0.05 2.72 0.04 -1.26 -5.03 135.00 135.60 3bsy s PRO 191 Ca 0.10 0.38 -0.31 0.00 0.04 0.00 0.00 61.00 61.21 3bsy s PRO 191 Cb -0.19 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 3bsy s PRO 191 CO -0.07 -0.72 1.36 0.00 0.04 0.00 0.00 177.00 177.60 3bsy s ALA 192 N -3.14 3.55 0.03 8.56 0.00 0.22 -4.86 121.76 126.12 3bsy s ALA 192 Ca 0.55 0.96 0.06 0.00 0.00 0.00 0.00 51.96 53.53 3bsy s ALA 192 Cb -0.11 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 3bsy s ALA 192 CO 0.50 -0.72 -0.18 0.15 0.00 0.00 0.00 175.76 175.51 3bsy s LYS 193 N 1.70 1.22 0.20 0.00 1.02 0.35 -4.77 119.74 119.45 3bsy s LYS 193 Ca 0.63 -0.80 -0.33 0.00 0.02 0.00 0.00 55.97 55.49 3bsy s LYS 193 Cb -0.33 -1.26 -0.13 0.00 -0.52 0.00 0.00 37.83 35.58 3bsy s LYS 193 CO 0.28 0.32 1.57 -2.13 -0.92 0.00 0.00 175.35 174.48 3bsy n ARG 194 N 2.04 2.29 0.00 1.68 0.63 -1.26 -1.22 116.66 120.82 3bsy n ARG 194 Ca -0.17 0.82 0.16 0.00 -0.92 0.00 0.00 57.85 57.74 3bsy n ARG 194 Cb 0.54 -2.59 0.89 0.00 0.45 0.00 0.00 32.46 31.75 3bsy n ARG 194 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00