#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bs3 h VAL 2 N 0.00 1.27 -3.91 0.00 2.07 -1.98 -3.44 116.25 110.26 1bs3 h VAL 2 Ca 0.00 -1.02 -0.69 0.00 0.82 0.00 0.00 66.70 65.82 1bs3 h VAL 2 Cb 0.00 1.31 -0.21 0.00 -1.52 0.00 0.00 31.29 30.87 1bs3 h VAL 2 CO 0.00 0.33 -0.76 -0.31 0.02 0.00 0.00 177.57 176.85 1bs3 s TYR 3 N -4.90 2.71 0.07 1.57 2.02 -1.26 -5.13 117.35 112.44 1bs3 s TYR 3 Ca -0.13 -0.15 0.04 0.00 -0.37 0.00 0.00 57.07 56.46 1bs3 s TYR 3 Cb 0.08 -1.58 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 1bs3 s TYR 3 CO 0.77 0.25 -0.12 0.95 -1.57 0.00 0.00 175.55 175.84 1bs3 s THR 4 N -0.85 0.97 -0.34 -0.71 -4.23 -1.26 -4.94 115.64 104.27 1bs3 s THR 4 Ca 0.14 -1.36 -0.29 0.00 -1.18 0.00 0.00 61.69 59.00 1bs3 s THR 4 Cb -0.11 -1.07 0.02 0.00 1.34 0.00 0.00 72.50 72.68 1bs3 s THR 4 CO 0.04 -0.34 1.12 -0.22 -0.54 0.00 0.00 174.62 174.67 1bs3 s LEU 5 N -1.90 3.88 0.33 4.79 2.96 -1.26 -5.01 118.68 122.47 1bs3 s LEU 5 Ca -0.01 0.99 -0.28 0.00 -0.22 0.00 0.00 54.13 54.61 1bs3 s LEU 5 Cb -0.08 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.97 1bs3 s LEU 5 CO 0.01 -0.96 1.12 -2.16 -1.32 0.00 0.00 176.35 173.04 1bs3 s PRO 6 N 3.85 4.42 0.57 0.98 0.04 -1.26 -5.02 135.00 138.57 1bs3 s PRO 6 Ca 0.47 1.79 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 1bs3 s PRO 6 Cb -0.12 -2.96 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 1bs3 s PRO 6 CO 0.19 0.01 1.06 -1.21 0.04 0.00 0.00 177.00 177.09 1bs3 s GLU 7 N -1.83 3.41 0.35 4.56 2.02 -1.26 -4.99 118.70 120.96 1bs3 s GLU 7 Ca 0.50 1.26 -0.27 0.00 0.02 0.00 0.00 54.97 56.47 1bs3 s GLU 7 Cb -0.31 -2.04 -0.09 0.00 0.10 0.00 0.00 34.13 31.79 1bs3 s GLU 7 CO 0.39 -0.74 1.21 -0.51 0.02 0.00 0.00 175.26 175.64 1bs3 s LEU 8 N -4.26 4.35 0.00 1.80 1.43 -1.26 -4.90 118.68 115.84 1bs3 s LEU 8 Ca 0.65 2.47 0.06 0.00 -1.03 0.00 0.00 54.13 56.28 1bs3 s LEU 8 Cb -0.16 -3.80 0.36 0.00 0.03 0.00 0.00 46.19 42.62 1bs3 s LEU 8 CO 0.33 -0.52 1.19 -0.81 0.23 0.00 0.00 176.35 176.77 1bs3 n PRO 9 N 0.57 0.96 -3.94 1.29 -0.04 -1.26 -4.83 135.00 127.75 1bs3 n PRO 9 Ca 0.02 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.39 1bs3 n PRO 9 Cb 0.44 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 1bs3 n PRO 9 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1bs3 s TYR 10 N -2.00 0.20 0.63 0.54 -0.85 -1.26 -5.10 117.35 109.51 1bs3 s TYR 10 Ca 0.09 -0.62 -0.17 0.00 -0.52 0.00 0.00 57.07 55.86 1bs3 s TYR 10 Cb 0.04 0.42 -0.01 0.00 0.38 0.00 0.00 41.96 42.78 1bs3 s TYR 10 CO 0.07 -1.15 1.14 -0.51 -1.52 0.00 0.00 175.55 173.58 1bs3 s ASP 11 N -3.01 5.13 0.40 -0.18 1.01 -1.26 -4.92 116.67 113.85 1bs3 s ASP 11 Ca 0.18 2.15 0.13 0.00 0.71 0.00 0.00 52.55 55.73 1bs3 s ASP 11 Cb -0.03 -2.57 0.98 0.00 1.01 0.00 0.00 42.92 42.31 1bs3 s ASP 11 CO 0.09 -1.62 1.90 1.88 0.21 0.00 0.00 175.17 177.64 1bs3 h TYR 12 N 0.39 0.59 -0.68 4.23 0.05 -1.97 -1.37 116.97 118.21 1bs3 h TYR 12 Ca -0.48 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1bs3 h TYR 12 Cb 1.26 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.82 1bs3 h TYR 12 CO 0.52 0.22 0.00 -1.13 -1.05 0.00 0.00 178.16 176.72 1bs3 n SER 13 N -4.50 4.12 0.27 3.88 3.41 -1.26 -4.09 113.62 115.45 1bs3 n SER 13 Ca 0.15 -2.17 0.18 0.00 -0.26 0.00 0.00 58.87 56.77 1bs3 n SER 13 Cb 0.51 -0.51 0.80 0.00 -0.26 0.00 0.00 64.21 64.74 1bs3 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bs3 h ALA 14 N 4.23 1.00 -0.23 7.33 0.00 -1.59 -2.76 119.26 127.23 1bs3 h ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bs3 h ALA 14 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1bs3 h ALA 14 CO 0.09 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1bs3 n LEU 15 N -2.95 2.66 -4.77 0.00 4.77 -1.26 -4.43 117.00 111.02 1bs3 n LEU 15 Ca -0.00 -1.08 -0.34 0.00 -0.03 0.00 0.00 56.01 54.56 1bs3 n LEU 15 Cb 0.22 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1bs3 n LEU 15 CO 0.24 0.54 0.76 -1.61 -1.33 0.00 0.00 177.39 175.99 1bs3 s GLU 16 N -1.71 3.06 0.00 3.23 2.02 -1.04 -1.77 118.70 122.48 1bs3 s GLU 16 Ca 0.35 1.50 0.23 0.00 0.02 0.00 0.00 54.97 57.07 1bs3 s GLU 16 Cb 0.20 -1.98 1.14 0.00 0.10 0.00 0.00 34.13 33.60 1bs3 s GLU 16 CO 0.30 -1.06 1.77 -0.35 0.02 0.00 0.00 175.26 175.93 1bs3 n PRO 17 N -1.89 1.33 -0.08 0.39 -0.04 -1.26 -4.87 135.00 128.59 1bs3 n PRO 17 Ca 0.11 -0.49 -0.10 0.00 -0.04 0.00 0.00 63.50 62.98 1bs3 n PRO 17 Cb 0.51 -1.39 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 1bs3 n PRO 17 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1bs3 h TYR 18 N 1.05 0.37 -3.25 0.54 0.05 -1.69 -3.41 116.97 110.64 1bs3 h TYR 18 Ca 0.00 -0.01 -0.45 0.00 0.05 0.00 0.00 58.73 58.31 1bs3 h TYR 18 Cb 0.23 -0.12 -0.38 0.00 1.01 0.00 0.00 36.73 37.47 1bs3 h TYR 18 CO 0.03 0.33 -0.77 0.42 -1.05 0.00 0.00 178.16 177.12 1bs3 s ILE 19 N -5.80 0.50 0.57 -2.88 1.01 -0.82 -4.78 121.20 109.00 1bs3 s ILE 19 Ca -0.13 0.04 -0.20 0.00 0.00 0.00 0.00 60.65 60.36 1bs3 s ILE 19 Cb 0.09 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 1bs3 s ILE 19 CO 0.71 0.28 1.27 -0.94 0.00 0.00 0.00 174.94 176.26 1bs3 s SER 20 N 1.89 5.21 0.49 3.58 1.04 -1.26 -3.14 113.70 121.51 1bs3 s SER 20 Ca 0.04 2.56 0.22 0.00 0.48 0.00 0.00 55.95 59.25 1bs3 s SER 20 Cb -0.12 -2.62 1.25 0.00 0.10 0.00 0.00 66.02 64.63 1bs3 s SER 20 CO -0.06 -1.59 2.03 1.23 0.98 0.00 0.00 173.24 175.83 1bs3 h GLY 21 N 1.16 0.00 0.95 7.32 0.00 -1.88 -2.01 103.07 108.61 1bs3 h GLY 21 Ca -0.51 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1bs3 h GLY 21 CO 0.56 0.00 0.09 -2.09 0.00 0.00 0.00 176.54 175.10 1bs3 h GLU 22 N 0.00 0.71 -0.27 4.80 4.81 -1.91 -1.24 114.58 121.48 1bs3 h GLU 22 Ca -0.00 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 58.99 1bs3 h GLU 22 Cb 0.35 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1bs3 h GLU 22 CO 0.02 0.73 -0.06 0.82 -0.73 0.00 0.00 179.01 179.78 1bs3 h ILE 23 N 0.57 1.28 -0.91 2.32 2.04 -1.81 -2.38 117.51 118.62 1bs3 h ILE 23 Ca 0.13 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 65.00 1bs3 h ILE 23 Cb 0.35 1.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 1bs3 h ILE 23 CO 0.01 0.34 0.56 0.24 0.00 0.00 0.00 178.15 179.30 1bs3 h MET 24 N 0.28 0.94 0.06 2.37 2.86 -1.25 0.37 114.93 120.56 1bs3 h MET 24 Ca 0.07 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1bs3 h MET 24 Cb 0.54 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1bs3 h MET 24 CO 0.03 0.62 -0.03 1.49 1.06 0.00 0.00 176.91 180.08 1bs3 h GLU 25 N 0.97 -0.08 -0.25 1.72 4.81 -1.15 -1.58 114.58 119.01 1bs3 h GLU 25 Ca 0.42 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 1bs3 h GLU 25 Cb 0.29 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1bs3 h GLU 25 CO -0.21 0.30 0.12 -0.07 -0.73 0.00 0.00 179.01 178.42 1bs3 h LEU 26 N -0.49 0.34 -0.41 1.64 3.38 -1.11 -0.12 115.31 118.54 1bs3 h LEU 26 Ca -0.01 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1bs3 h LEU 26 Cb 0.42 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1bs3 h LEU 26 CO 0.01 0.38 0.19 -0.74 0.09 0.00 0.00 178.44 178.38 1bs3 h HIS 27 N 0.27 0.35 0.00 1.13 2.76 -0.30 -0.48 115.15 118.89 1bs3 h HIS 27 Ca 0.09 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1bs3 h HIS 27 Cb 0.14 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.00 1bs3 h HIS 27 CO -0.02 0.17 -0.00 1.25 -1.30 0.00 0.00 177.93 178.04 1bs3 h HIS 28 N 0.39 -0.00 -0.00 5.26 -0.00 -1.25 -0.55 115.15 118.99 1bs3 h HIS 28 Ca 0.18 -0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.44 1bs3 h HIS 28 Cb 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 1bs3 h HIS 28 CO -0.11 0.55 -0.51 -0.44 -0.00 0.00 0.00 177.93 177.42 1bs3 h ASP 29 N -1.00 0.01 0.00 3.26 5.19 -1.09 -3.10 116.42 119.69 1bs3 h ASP 29 Ca -0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1bs3 h ASP 29 Cb 0.55 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1bs3 h ASP 29 CO 0.00 0.52 -0.73 0.29 -3.12 0.00 0.00 179.24 176.20 1bs3 n LYS 30 N -3.94 0.38 0.18 3.56 4.76 -0.25 -4.44 118.16 118.42 1bs3 n LYS 30 Ca -0.01 0.15 -0.13 0.00 -2.87 0.00 0.00 58.31 55.44 1bs3 n LYS 30 Cb 0.52 -1.17 -0.08 0.00 -1.84 0.00 0.00 35.03 32.47 1bs3 n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1bs3 h HIS 31 N -0.73 -0.43 -0.93 2.13 3.86 -1.32 -2.56 115.15 115.18 1bs3 h HIS 31 Ca 0.00 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1bs3 h HIS 31 Cb 0.73 0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.29 1bs3 h HIS 31 CO -0.31 -0.11 0.54 1.25 0.86 0.00 0.00 177.93 180.16 1bs3 h HIS 32 N -0.78 1.24 -0.75 2.45 -0.00 -1.15 -1.86 115.15 114.30 1bs3 h HIS 32 Ca -0.05 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.35 1bs3 h HIS 32 Cb 0.52 -0.40 -0.04 0.00 -0.00 0.00 0.00 27.41 27.48 1bs3 h HIS 32 CO 0.02 0.83 0.49 -0.22 -0.00 0.00 0.00 177.93 179.05 1bs3 h LYS 33 N 1.29 0.87 -0.55 5.26 3.64 -1.56 -1.89 116.57 123.62 1bs3 h LYS 33 Ca 0.33 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1bs3 h LYS 33 Cb -0.03 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 1bs3 h LYS 33 CO -0.06 0.57 0.14 0.00 -2.27 0.00 0.00 179.45 177.83 1bs3 h ALA 34 N 1.57 1.20 -0.18 5.00 0.00 -0.90 -1.78 119.26 124.16 1bs3 h ALA 34 Ca 0.30 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1bs3 h ALA 34 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1bs3 h ALA 34 CO -0.09 0.55 -0.50 1.88 0.00 0.00 0.00 179.25 181.09 1bs3 h TYR 35 N 0.82 0.61 -0.16 0.00 0.05 -1.21 -0.27 116.97 116.81 1bs3 h TYR 35 Ca 0.18 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1bs3 h TYR 35 Cb 0.30 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1bs3 h TYR 35 CO 0.02 0.90 0.04 0.28 -1.05 0.00 0.00 178.16 178.34 1bs3 h VAL 36 N 0.39 1.20 -0.72 -2.88 2.07 -1.11 0.90 116.25 116.10 1bs3 h VAL 36 Ca 0.02 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1bs3 h VAL 36 Cb 1.02 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1bs3 h VAL 36 CO 0.09 0.20 0.33 0.44 0.02 0.00 0.00 177.57 178.65 1bs3 h ASP 37 N 0.06 0.95 -0.37 0.57 3.32 -1.25 -1.72 116.42 117.99 1bs3 h ASP 37 Ca 0.05 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 1bs3 h ASP 37 Cb 0.27 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1bs3 h ASP 37 CO 0.00 0.83 -0.11 1.23 -1.72 0.00 0.00 179.24 179.47 1bs3 h GLY 38 N 1.01 0.88 0.98 2.75 0.00 -0.86 -0.97 103.07 106.87 1bs3 h GLY 38 Ca 0.25 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1bs3 h GLY 38 CO -0.03 0.62 -0.27 0.00 0.00 0.00 0.00 176.54 176.86 1bs3 h ALA 39 N 1.14 0.45 -0.56 3.60 0.00 -0.58 -1.67 119.26 121.64 1bs3 h ALA 39 Ca 0.12 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1bs3 h ALA 39 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1bs3 h ALA 39 CO 0.04 0.45 0.18 -0.91 0.00 0.00 0.00 179.25 179.01 1bs3 h ASN 40 N 0.49 0.80 -0.70 0.00 2.35 -1.22 -2.54 115.58 114.76 1bs3 h ASN 40 Ca 0.05 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 1bs3 h ASN 40 Cb 0.83 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 1bs3 h ASN 40 CO 0.07 0.79 0.30 0.74 -1.65 0.00 0.00 177.43 177.68 1bs3 h THR 41 N 0.78 1.24 -0.62 2.81 2.02 -1.12 -1.50 112.91 116.52 1bs3 h THR 41 Ca 0.18 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 1bs3 h THR 41 Cb 0.27 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1bs3 h THR 41 CO -0.01 0.29 0.38 0.00 0.37 0.00 0.00 175.52 176.55 1bs3 h ALA 42 N 1.14 0.79 -0.59 6.16 0.00 -1.12 -0.18 119.26 125.47 1bs3 h ALA 42 Ca 0.24 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1bs3 h ALA 42 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1bs3 h ALA 42 CO -0.02 0.27 0.12 -0.07 0.00 0.00 0.00 179.25 179.55 1bs3 h LEU 43 N 0.84 0.91 -0.90 0.00 3.38 -1.19 -0.66 115.31 117.70 1bs3 h LEU 43 Ca 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1bs3 h LEU 43 Cb -0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1bs3 h LEU 43 CO -0.04 0.93 0.50 0.44 0.09 0.00 0.00 178.44 180.35 1bs3 h ASP 44 N 0.86 1.12 -0.28 -0.43 3.32 -0.79 -0.80 116.42 119.42 1bs3 h ASP 44 Ca 0.18 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1bs3 h ASP 44 Cb 0.39 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1bs3 h ASP 44 CO 0.01 0.90 -0.25 0.11 -1.72 0.00 0.00 179.24 178.29 1bs3 h LYS 45 N 1.26 0.77 -0.28 3.56 1.79 -0.73 -1.53 116.57 121.42 1bs3 h LYS 45 Ca 0.32 -0.32 -0.11 0.00 -2.18 0.00 0.00 60.65 58.35 1bs3 h LYS 45 Cb 0.02 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 1bs3 h LYS 45 CO -0.05 0.94 -0.29 -0.07 -1.08 0.00 0.00 179.45 178.90 1bs3 h LEU 46 N 0.67 0.57 -0.51 2.94 3.38 -0.65 -0.38 115.31 121.33 1bs3 h LEU 46 Ca 0.09 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1bs3 h LEU 46 Cb 0.76 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1bs3 h LEU 46 CO 0.06 0.83 -0.01 0.00 0.09 0.00 0.00 178.44 179.41 1bs3 h ALA 47 N 1.21 0.68 -0.62 1.53 0.00 -0.90 -2.19 119.26 118.98 1bs3 h ALA 47 Ca 0.06 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1bs3 h ALA 47 Cb 0.74 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1bs3 h ALA 47 CO 0.06 0.50 0.05 1.49 0.00 0.00 0.00 179.25 181.35 1bs3 h GLU 48 N 0.77 1.05 -0.79 0.00 4.81 -1.03 -2.06 114.58 117.33 1bs3 h GLU 48 Ca 0.14 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1bs3 h GLU 48 Cb 0.53 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1bs3 h GLU 48 CO 0.03 0.99 0.48 0.00 -0.73 0.00 0.00 179.01 179.78 1bs3 h ALA 49 N 1.07 1.36 -0.30 2.92 0.00 -0.82 -1.47 119.26 122.02 1bs3 h ALA 49 Ca 0.18 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1bs3 h ALA 49 Cb 0.49 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1bs3 h ALA 49 CO 0.02 0.56 -0.24 0.00 0.00 0.00 0.00 179.25 179.59 1bs3 h ARG 50 N 1.09 0.69 -0.54 0.00 3.08 -1.00 0.31 114.38 118.01 1bs3 h ARG 50 Ca 0.29 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1bs3 h ARG 50 Cb -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1bs3 h ARG 50 CO -0.05 0.95 0.17 -0.44 -1.07 0.00 0.00 179.97 179.53 1bs3 h ASP 51 N 0.44 0.79 0.89 7.04 3.32 -1.06 -2.73 116.42 125.11 1bs3 h ASP 51 Ca 0.05 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1bs3 h ASP 51 Cb 0.80 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1bs3 h ASP 51 CO 0.06 0.79 -0.22 0.29 -1.72 0.00 0.00 179.24 178.44 1bs3 n LYS 52 N -4.46 0.06 -2.87 3.56 4.76 -0.58 -4.94 118.16 113.69 1bs3 n LYS 52 Ca 0.02 0.03 -0.22 0.00 -2.87 0.00 0.00 58.31 55.28 1bs3 n LYS 52 Cb 0.20 -1.55 0.03 0.00 -1.84 0.00 0.00 35.03 31.86 1bs3 n LYS 52 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bs3 n ALA 53 N -1.57 -0.88 -3.97 7.82 0.00 -0.03 -4.98 120.51 116.91 1bs3 n ALA 53 Ca 0.06 0.26 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 1bs3 n ALA 53 Cb 0.36 -3.48 -0.15 0.00 0.00 0.00 0.00 19.45 16.18 1bs3 n ALA 53 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bs3 s ASP 54 N -2.57 4.15 -0.41 0.00 2.15 -0.47 -4.99 116.67 114.53 1bs3 s ASP 54 Ca 0.23 -1.41 0.05 0.00 0.43 0.00 0.00 52.55 51.85 1bs3 s ASP 54 Cb -0.10 -1.32 0.56 0.00 -0.30 0.00 0.00 42.92 41.76 1bs3 s ASP 54 CO 0.29 -0.26 1.71 0.49 -0.17 0.00 0.00 175.17 177.23 1bs3 n PHE 55 N 4.56 2.33 0.02 -5.34 3.72 -1.26 -4.60 117.46 116.88 1bs3 n PHE 55 Ca -0.10 -1.98 0.03 0.00 -0.05 0.00 0.00 57.45 55.36 1bs3 n PHE 55 Cb 0.43 -0.82 0.41 0.00 -0.94 0.00 0.00 39.48 38.57 1bs3 n PHE 55 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1bs3 h GLY 56 N 1.25 0.53 -3.38 1.37 0.00 -1.96 -2.49 103.07 98.38 1bs3 h GLY 56 Ca 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1bs3 h GLY 56 CO 0.89 0.21 0.00 0.00 0.00 0.00 0.00 176.54 177.64 1bs3 n ALA 57 N -2.48 3.77 -0.32 3.60 0.00 -1.26 -4.62 120.51 119.20 1bs3 n ALA 57 Ca 0.02 -1.78 0.06 0.00 0.00 0.00 0.00 53.44 51.74 1bs3 n ALA 57 Cb 0.10 -1.11 0.22 0.00 0.00 0.00 0.00 19.45 18.66 1bs3 n ALA 57 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1bs3 h ILE 58 N 3.78 0.82 -0.79 0.00 6.09 -1.80 -0.49 117.51 125.12 1bs3 h ILE 58 Ca 0.00 -0.26 -0.03 0.00 -1.37 0.00 0.00 64.86 63.19 1bs3 h ILE 58 Cb 1.87 -0.02 -0.04 0.00 0.47 0.00 0.00 36.82 39.10 1bs3 h ILE 58 CO 0.45 0.14 0.38 0.78 -3.07 0.00 0.00 178.15 176.83 1bs3 h ASN 59 N 0.77 1.05 -0.12 2.19 2.35 -1.85 -0.09 115.58 119.88 1bs3 h ASN 59 Ca 0.46 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 56.05 1bs3 h ASN 59 Cb 0.56 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1bs3 h ASN 59 CO -0.31 0.89 -0.04 0.50 -1.65 0.00 0.00 177.43 176.82 1bs3 h LYS 60 N 1.13 0.23 -0.58 0.81 3.64 -1.67 -2.83 116.57 117.29 1bs3 h LYS 60 Ca 0.27 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1bs3 h LYS 60 Cb 0.13 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1bs3 h LYS 60 CO -0.03 0.55 0.20 -0.07 -2.27 0.00 0.00 179.45 177.83 1bs3 h LEU 61 N -0.10 0.79 -0.84 5.20 3.38 -0.88 0.40 115.31 123.27 1bs3 h LEU 61 Ca 0.03 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1bs3 h LEU 61 Cb 0.47 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1bs3 h LEU 61 CO 0.01 0.74 -0.43 -0.33 0.09 0.00 0.00 178.44 178.52 1bs3 h GLU 62 N 0.84 0.32 0.05 1.13 4.39 -1.04 -0.38 114.58 119.90 1bs3 h GLU 62 Ca 0.20 -0.16 -0.26 0.00 0.34 0.00 0.00 59.36 59.47 1bs3 h GLU 62 Cb 0.22 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1bs3 h GLU 62 CO -0.01 0.70 -1.08 -0.22 -1.16 0.00 0.00 179.01 177.23 1bs3 h LYS 63 N 0.26 0.48 -0.66 2.33 3.64 -1.19 -1.48 116.57 119.95 1bs3 h LYS 63 Ca 0.02 -0.58 -0.02 0.00 -1.27 0.00 0.00 60.65 58.80 1bs3 h LYS 63 Cb 0.88 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1bs3 h LYS 63 CO 0.07 1.22 0.33 -0.44 -2.27 0.00 0.00 179.45 178.36 1bs3 h ASP 64 N 0.23 0.85 0.17 4.20 3.32 -0.76 0.95 116.42 125.38 1bs3 h ASP 64 Ca -0.12 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1bs3 h ASP 64 Cb 1.75 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 41.08 1bs3 h ASP 64 CO 0.19 0.73 -0.08 0.25 -1.72 0.00 0.00 179.24 178.62 1bs3 h LEU 65 N 0.91 -0.19 -0.45 1.55 6.46 -1.06 -1.73 115.31 120.79 1bs3 h LEU 65 Ca 0.23 -0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1bs3 h LEU 65 Cb 0.10 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 1bs3 h LEU 65 CO -0.03 0.10 0.28 0.00 -0.62 0.00 0.00 178.44 178.17 1bs3 h ALA 66 N 0.28 0.57 0.17 1.25 0.00 -1.11 0.17 119.26 120.59 1bs3 h ALA 66 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1bs3 h ALA 66 Cb 0.38 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1bs3 h ALA 66 CO 0.04 0.04 -0.08 0.35 0.00 0.00 0.00 179.25 179.60 1bs3 h PHE 67 N 0.60 -0.21 -0.27 0.00 3.57 -0.85 -1.12 116.94 118.66 1bs3 h PHE 67 Ca 0.16 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.51 1bs3 h PHE 67 Cb -0.03 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 1bs3 h PHE 67 CO -0.04 0.01 -0.39 -0.91 -2.23 0.00 0.00 178.31 174.75 1bs3 h ASN 68 N -0.41 0.81 -0.54 0.41 2.35 -1.27 -1.11 115.58 115.82 1bs3 h ASN 68 Ca -0.02 -0.51 -0.09 0.00 -0.55 0.00 0.00 56.30 55.12 1bs3 h ASN 68 Cb 0.32 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1bs3 h ASN 68 CO 0.04 1.16 -0.02 0.25 -1.65 0.00 0.00 177.43 177.21 1bs3 h LEU 69 N 0.48 0.95 -0.98 1.61 5.85 -0.73 -0.44 115.31 122.05 1bs3 h LEU 69 Ca 0.03 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 1bs3 h LEU 69 Cb 0.99 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1bs3 h LEU 69 CO 0.09 1.04 0.12 0.00 -0.34 0.00 0.00 178.44 179.35 1bs3 h ALA 70 N 0.95 1.17 -0.53 1.25 0.00 -1.19 0.93 119.26 121.84 1bs3 h ALA 70 Ca 0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1bs3 h ALA 70 Cb 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1bs3 h ALA 70 CO 0.03 0.56 0.19 0.78 0.00 0.00 0.00 179.25 180.81 1bs3 h GLY 71 N 0.99 0.86 0.90 0.00 0.00 -0.80 -0.04 103.07 104.97 1bs3 h GLY 71 Ca 0.18 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1bs3 h GLY 71 CO 0.00 0.46 0.06 0.84 0.00 0.00 0.00 176.54 177.90 1bs3 h HIS 72 N 0.72 0.18 0.24 5.60 6.17 -0.50 -1.92 115.15 125.63 1bs3 h HIS 72 Ca 0.17 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.23 1bs3 h HIS 72 Cb 0.24 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.11 1bs3 h HIS 72 CO 0.01 0.23 -0.11 0.28 0.71 0.00 0.00 177.93 179.05 1bs3 h VAL 73 N 0.07 0.78 -0.46 5.26 2.07 -0.69 -1.63 116.25 121.64 1bs3 h VAL 73 Ca 0.04 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1bs3 h VAL 73 Cb 0.12 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1bs3 h VAL 73 CO -0.01 0.01 0.19 0.78 0.02 0.00 0.00 177.57 178.57 1bs3 h ASN 74 N -0.34 0.23 0.32 0.57 2.35 -0.97 -2.16 115.58 115.57 1bs3 h ASN 74 Ca -0.03 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.62 1bs3 h ASN 74 Cb 0.26 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1bs3 h ASN 74 CO 0.05 0.17 -0.56 0.45 -1.65 0.00 0.00 177.43 175.89 1bs3 h HIS 75 N 0.38 0.33 -0.64 1.19 3.86 -1.33 -0.56 115.15 118.38 1bs3 h HIS 75 Ca 0.21 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1bs3 h HIS 75 Cb 0.19 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1bs3 h HIS 75 CO -0.14 0.76 0.22 0.77 0.86 0.00 0.00 177.93 180.41 1bs3 h SER 76 N 0.20 0.91 -0.23 2.45 0.02 -0.92 -1.01 113.55 114.97 1bs3 h SER 76 Ca -0.00 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 60.64 1bs3 h SER 76 Cb 1.05 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 1bs3 h SER 76 CO 0.09 0.86 -0.31 0.58 -1.14 0.00 0.00 176.83 176.91 1bs3 h VAL 77 N 0.92 1.32 -0.46 2.27 2.07 -1.35 -3.20 116.25 117.81 1bs3 h VAL 77 Ca 0.21 -1.50 0.09 0.00 0.82 0.00 0.00 66.70 66.31 1bs3 h VAL 77 Cb 0.26 1.75 -0.08 0.00 -1.52 0.00 0.00 31.29 31.70 1bs3 h VAL 77 CO -0.01 0.47 -0.01 0.15 0.02 0.00 0.00 177.57 178.19 1bs3 h PHE 78 N 0.31 -0.05 -0.35 1.57 3.57 -0.69 0.16 116.94 121.45 1bs3 h PHE 78 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1bs3 h PHE 78 Cb 0.89 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1bs3 h PHE 78 CO 0.08 -0.11 0.20 -1.49 -2.23 0.00 0.00 178.31 174.76 1bs3 h TRP 79 N 0.10 0.48 0.00 0.41 -0.00 -1.25 -2.69 115.95 113.00 1bs3 h TRP 79 Ca 0.23 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 59.06 1bs3 h TRP 79 Cb 0.34 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 29.34 1bs3 h TRP 79 CO -0.31 0.37 -0.26 0.87 -0.00 0.00 0.00 178.44 179.12 1bs3 h LYS 80 N 0.45 0.00 0.00 0.49 1.57 -1.43 -2.82 116.57 114.83 1bs3 h LYS 80 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1bs3 h LYS 80 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1bs3 h LYS 80 CO -0.02 0.26 0.00 0.09 -0.57 0.00 0.00 179.45 179.20 1bs3 n ASN 81 N -3.63 0.00 -4.53 0.86 5.03 -0.00 -4.75 115.26 108.24 1bs3 n ASN 81 Ca -0.01 0.47 -0.24 0.00 0.87 0.00 0.00 54.58 55.67 1bs3 n ASN 81 Cb 0.38 -0.49 -0.09 0.00 -1.02 0.00 0.00 39.78 38.56 1bs3 n ASN 81 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1bs3 s MET 82 N -2.97 1.87 -0.09 3.52 -1.94 -1.06 -0.05 119.30 118.57 1bs3 s MET 82 Ca 0.08 -1.70 -0.30 0.00 -1.71 0.00 0.00 55.69 52.06 1bs3 s MET 82 Cb 0.10 -1.87 0.11 0.00 2.01 0.00 0.00 34.83 35.18 1bs3 s MET 82 CO 0.28 0.31 0.90 0.00 -0.01 0.00 0.00 175.02 176.50 1bs3 s ALA 83 N -2.48 -1.87 0.26 3.03 0.00 -0.26 -4.67 121.76 115.78 1bs3 s ALA 83 Ca 0.31 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.33 1bs3 s ALA 83 Cb -0.04 -0.24 -0.14 0.00 0.00 0.00 0.00 23.12 22.70 1bs3 s ALA 83 CO 0.17 -0.44 1.13 -2.30 0.00 0.00 0.00 175.76 174.32 1bs3 n PRO 84 N 0.46 1.47 -1.69 0.00 -0.02 -1.26 -4.62 135.00 129.34 1bs3 n PRO 84 Ca -0.11 0.52 -0.52 0.00 -2.02 0.00 0.00 63.50 61.37 1bs3 n PRO 84 Cb 0.59 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 1bs3 n PRO 84 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1bs3 n LYS 85 N 1.15 1.74 0.00 -0.52 3.00 -1.26 -1.22 118.16 121.05 1bs3 n LYS 85 Ca 0.11 0.64 0.00 0.00 -0.00 0.00 0.00 58.31 59.06 1bs3 n LYS 85 Cb 0.30 -2.41 0.00 0.00 0.00 0.00 0.00 35.03 32.93 1bs3 n LYS 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bs3 n GLY 86 N 4.15 1.00 0.10 3.14 0.00 -1.26 -4.95 105.19 107.37 1bs3 n GLY 86 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.38 1bs3 n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1bs3 h SER 87 N 0.00 0.00 -5.13 1.61 0.02 -1.49 -3.47 113.55 105.09 1bs3 h SER 87 Ca 0.00 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1bs3 h SER 87 Cb 0.00 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.42 1bs3 h SER 87 CO 0.00 0.03 -0.16 0.00 -1.14 0.00 0.00 176.83 175.56 1bs3 s ALA 88 N -3.13 -0.59 0.34 3.77 0.00 -1.26 -5.05 121.76 115.83 1bs3 s ALA 88 Ca 0.09 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 1bs3 s ALA 88 Cb 0.12 0.72 -0.11 0.00 0.00 0.00 0.00 23.12 23.85 1bs3 s ALA 88 CO 0.64 -0.65 1.46 -2.14 0.00 0.00 0.00 175.76 175.07 1bs3 s PRO 89 N -3.86 4.18 0.00 0.00 0.02 -1.26 -4.89 135.00 129.19 1bs3 s PRO 89 Ca 0.08 2.47 0.20 0.00 0.02 0.00 0.00 61.00 63.76 1bs3 s PRO 89 Cb 0.02 -3.01 1.19 0.00 0.02 0.00 0.00 34.50 32.72 1bs3 s PRO 89 CO -0.07 -0.46 1.58 0.39 -0.33 0.00 0.00 177.00 178.11 1bs3 n GLU 90 N 0.92 0.63 -3.78 5.54 -0.58 -1.26 -4.49 120.64 117.63 1bs3 n GLU 90 Ca 0.02 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.63 1bs3 n GLU 90 Cb 0.40 -1.49 -0.11 0.00 -0.57 0.00 0.00 31.44 29.66 1bs3 n GLU 90 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1bs3 s ARG 91 N -2.00 0.35 0.50 3.49 3.52 -1.26 -5.07 118.95 118.47 1bs3 s ARG 91 Ca 0.30 0.37 -0.23 0.00 -0.13 0.00 0.00 55.73 56.03 1bs3 s ARG 91 Cb 0.14 0.17 -0.06 0.00 -1.56 0.00 0.00 34.95 33.63 1bs3 s ARG 91 CO 0.23 -0.05 1.37 -2.14 -0.81 0.00 0.00 175.30 173.91 1bs3 s PRO 92 N 0.08 3.43 0.29 5.12 0.02 -1.26 -5.03 135.00 137.65 1bs3 s PRO 92 Ca -0.01 2.28 0.03 0.00 0.02 0.00 0.00 61.00 63.33 1bs3 s PRO 92 Cb -0.02 -2.45 -0.04 0.00 0.02 0.00 0.00 34.50 32.01 1bs3 s PRO 92 CO 0.01 -0.98 0.18 -0.08 -0.33 0.00 0.00 177.00 175.80 1bs3 s THR 93 N -1.27 0.19 0.00 0.99 -1.32 -1.26 -4.44 115.64 108.53 1bs3 s THR 93 Ca 0.66 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.14 1bs3 s THR 93 Cb -0.41 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.07 1bs3 s THR 93 CO 0.51 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 173.39 1bs3 n ASP 94 N -0.93 0.00 -0.26 8.08 8.00 -1.26 -2.18 116.55 128.00 1bs3 n ASP 94 Ca 0.03 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.60 1bs3 n ASP 94 Cb 0.65 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.95 1bs3 n ASP 94 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1bs3 h GLU 95 N 0.00 0.28 -0.32 -1.24 -0.00 -1.99 -0.88 114.58 110.43 1bs3 h GLU 95 Ca 0.00 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.36 59.28 1bs3 h GLU 95 Cb 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 28.67 1bs3 h GLU 95 CO 0.00 0.19 -0.04 1.25 -0.00 0.00 0.00 179.01 180.41 1bs3 h LEU 96 N 0.29 0.59 -0.77 3.06 5.85 -1.90 -1.73 115.31 120.70 1bs3 h LEU 96 Ca 0.45 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1bs3 h LEU 96 Cb 0.78 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1bs3 h LEU 96 CO -0.52 0.79 0.46 1.23 -0.34 0.00 0.00 178.44 180.06 1bs3 h GLY 97 N 0.38 1.12 1.19 3.75 0.00 -0.84 -1.20 103.07 107.47 1bs3 h GLY 97 Ca 0.09 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1bs3 h GLY 97 CO 0.02 0.45 -0.05 0.00 0.00 0.00 0.00 176.54 176.96 1bs3 h ALA 98 N 1.25 0.89 -0.44 3.60 0.00 -1.12 -2.37 119.26 121.07 1bs3 h ALA 98 Ca 0.28 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1bs3 h ALA 98 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1bs3 h ALA 98 CO -0.05 0.65 -0.09 0.00 0.00 0.00 0.00 179.25 179.76 1bs3 h ALA 99 N 1.06 1.01 -0.40 0.00 0.00 -0.86 -1.02 119.26 119.05 1bs3 h ALA 99 Ca 0.15 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1bs3 h ALA 99 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1bs3 h ALA 99 CO 0.04 0.60 -0.03 0.82 0.00 0.00 0.00 179.25 180.67 1bs3 h ILE 100 N 0.71 1.27 -0.50 0.00 2.04 -1.08 -0.84 117.51 119.10 1bs3 h ILE 100 Ca 0.12 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 64.86 1bs3 h ILE 100 Cb 0.56 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1bs3 h ILE 100 CO 0.03 0.36 0.07 0.44 0.00 0.00 0.00 178.15 179.05 1bs3 h ASP 101 N 0.55 0.75 -0.11 1.72 3.32 -1.22 0.16 116.42 121.60 1bs3 h ASP 101 Ca 0.11 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1bs3 h ASP 101 Cb 0.52 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1bs3 h ASP 101 CO 0.03 0.78 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.21 1bs3 h GLU 102 N 0.76 0.21 0.00 3.56 4.81 -0.94 0.14 114.58 123.12 1bs3 h GLU 102 Ca 0.16 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1bs3 h GLU 102 Cb 0.36 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1bs3 h GLU 102 CO 0.01 0.53 -0.48 1.19 -0.73 0.00 0.00 179.01 179.53 1bs3 n PHE 103 N -4.74 0.18 0.00 0.92 3.72 -0.34 -4.37 117.46 112.82 1bs3 n PHE 103 Ca -0.06 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1bs3 n PHE 103 Cb 0.25 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 1bs3 n PHE 103 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1bs3 n PHE 104 N -1.70 0.00 0.00 1.38 3.72 0.55 -5.00 117.46 116.42 1bs3 n PHE 104 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1bs3 n PHE 104 Cb 0.37 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 1bs3 n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bs3 n GLY 105 N 0.60 2.79 3.73 1.37 0.00 0.04 -4.53 105.19 109.19 1bs3 n GLY 105 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 1bs3 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bs3 s SER 106 N 0.06 -0.12 0.12 1.61 1.04 -1.26 -4.78 113.70 110.37 1bs3 s SER 106 Ca 0.00 -0.34 -0.15 0.00 0.48 0.00 0.00 55.95 55.94 1bs3 s SER 106 Cb 0.00 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 1bs3 s SER 106 CO 0.00 -0.71 1.59 0.15 0.98 0.00 0.00 173.24 175.25 1bs3 h PHE 107 N 2.00 0.73 -0.76 5.02 3.57 -1.92 -2.59 116.94 122.99 1bs3 h PHE 107 Ca -0.26 -0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.15 1bs3 h PHE 107 Cb 1.22 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.72 1bs3 h PHE 107 CO 0.48 0.73 0.48 -0.44 -2.23 0.00 0.00 178.31 177.33 1bs3 h ASP 108 N 0.51 0.79 -0.83 0.41 3.32 -1.96 -0.73 116.42 117.94 1bs3 h ASP 108 Ca 0.12 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1bs3 h ASP 108 Cb 0.42 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 1bs3 h ASP 108 CO 0.01 0.55 0.41 0.78 -1.72 0.00 0.00 179.24 179.27 1bs3 h ASN 109 N 0.94 1.08 -0.21 6.45 4.21 -1.81 -0.62 115.58 125.62 1bs3 h ASN 109 Ca 0.30 -0.12 -0.02 0.00 1.21 0.00 0.00 56.30 57.67 1bs3 h ASN 109 Cb 0.01 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 36.93 1bs3 h ASN 109 CO -0.11 0.90 0.05 -0.03 -1.29 0.00 0.00 177.43 176.95 1bs3 h MET 110 N 1.18 0.34 -0.75 0.81 4.05 -0.99 -1.73 114.93 117.84 1bs3 h MET 110 Ca 0.29 -0.08 0.03 0.00 -0.28 0.00 0.00 59.70 59.65 1bs3 h MET 110 Cb 0.10 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.81 1bs3 h MET 110 CO -0.04 0.47 0.48 0.87 0.23 0.00 0.00 176.91 178.91 1bs3 h LYS 111 N 0.16 0.90 -0.48 0.39 1.57 -0.81 0.31 116.57 118.61 1bs3 h LYS 111 Ca 0.07 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1bs3 h LYS 111 Cb 0.28 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1bs3 h LYS 111 CO 0.00 0.60 0.22 0.00 -0.57 0.00 0.00 179.45 179.70 1bs3 h ALA 112 N 1.32 0.62 -0.33 3.86 0.00 -0.97 0.97 119.26 124.73 1bs3 h ALA 112 Ca 0.30 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1bs3 h ALA 112 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1bs3 h ALA 112 CO -0.11 0.20 -0.18 0.37 0.00 0.00 0.00 179.25 179.53 1bs3 h GLN 113 N 0.64 0.71 -0.53 0.00 4.15 -0.89 -1.32 115.11 117.85 1bs3 h GLN 113 Ca 0.16 -0.32 -0.05 0.00 0.77 0.00 0.00 58.65 59.22 1bs3 h GLN 113 Cb 0.14 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1bs3 h GLN 113 CO -0.02 0.92 0.14 0.35 -1.93 0.00 0.00 178.83 178.29 1bs3 h PHE 114 N 0.48 0.89 -0.49 3.99 3.04 -0.84 -1.50 116.94 122.51 1bs3 h PHE 114 Ca 0.07 -0.10 -0.05 0.00 3.98 0.00 0.00 57.97 61.87 1bs3 h PHE 114 Cb 0.71 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 1bs3 h PHE 114 CO 0.06 0.78 0.12 1.15 -2.02 0.00 0.00 178.31 178.40 1bs3 h THR 115 N 0.75 1.24 -0.82 4.41 2.02 -0.74 -0.66 112.91 119.10 1bs3 h THR 115 Ca 0.17 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 1bs3 h THR 115 Cb 0.33 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1bs3 h THR 115 CO 0.00 0.30 0.39 0.00 0.37 0.00 0.00 175.52 176.58 1bs3 h ALA 116 N 0.99 1.13 -0.30 6.16 0.00 -1.06 -0.69 119.26 125.48 1bs3 h ALA 116 Ca 0.15 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1bs3 h ALA 116 Cb 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1bs3 h ALA 116 CO 0.00 0.65 -0.27 0.00 0.00 0.00 0.00 179.25 179.63 1bs3 h ALA 117 N 1.25 0.95 -0.12 0.00 0.00 -0.99 -2.24 119.26 118.12 1bs3 h ALA 117 Ca 0.28 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1bs3 h ALA 117 Cb 0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1bs3 h ALA 117 CO -0.03 0.61 -0.13 0.00 0.00 0.00 0.00 179.25 179.69 1bs3 h ALA 118 N 1.17 0.18 0.00 0.00 0.00 -0.48 -3.30 119.26 116.82 1bs3 h ALA 118 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1bs3 h ALA 118 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1bs3 h ALA 118 CO 0.06 0.05 -0.09 1.79 0.00 0.00 0.00 179.25 181.06 1bs3 h THR 119 N -0.10 0.00 -0.01 0.00 1.35 -1.16 -3.32 112.91 109.67 1bs3 h THR 119 Ca 0.02 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1bs3 h THR 119 Cb 0.66 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1bs3 h THR 119 CO 0.03 0.00 -0.08 0.61 -0.25 0.00 0.00 175.52 175.83 1bs3 n GLY 120 N 1.25 -0.12 3.71 5.82 0.00 -0.84 -4.96 105.19 110.06 1bs3 n GLY 120 Ca 0.05 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 1bs3 n GLY 120 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bs3 n ILE 121 N 0.00 0.28 -3.33 -0.61 5.41 -1.25 -4.93 119.36 114.93 1bs3 n ILE 121 Ca 0.17 -0.07 -0.46 0.00 1.00 0.00 0.00 62.75 63.38 1bs3 n ILE 121 Cb 0.37 -1.89 -0.01 0.00 -0.71 0.00 0.00 39.64 37.40 1bs3 n ILE 121 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1bs3 s GLN 122 N 0.66 3.77 0.00 0.38 -0.21 -1.26 -4.90 119.66 118.10 1bs3 s GLN 122 Ca 0.73 -2.67 0.00 0.00 0.02 0.00 0.00 55.36 53.44 1bs3 s GLN 122 Cb -0.54 -4.47 0.00 0.00 1.00 0.00 0.00 33.01 29.00 1bs3 s GLN 122 CO 0.38 -1.28 0.00 0.41 -2.12 0.00 0.00 175.29 172.68 1bs3 n GLY 123 N 3.64 0.37 3.84 3.09 0.00 -1.26 -5.04 105.19 109.83 1bs3 n GLY 123 Ca 0.17 -2.28 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 1bs3 n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bs3 s SER 124 N -4.00 6.70 0.00 1.61 0.01 -1.26 -4.94 113.70 111.83 1bs3 s SER 124 Ca 0.00 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1bs3 s SER 124 Cb 0.00 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1bs3 s SER 124 CO 0.00 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1bs3 n GLY 125 N -1.16 -1.12 3.04 3.44 0.00 -1.26 -0.13 105.19 108.00 1bs3 n GLY 125 Ca 0.06 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 1bs3 n GLY 125 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bs3 s TRP 126 N -3.00 0.46 -0.14 1.61 0.52 -0.59 -0.75 118.94 117.05 1bs3 s TRP 126 Ca 0.00 -0.69 -0.05 0.00 0.02 0.00 0.00 56.10 55.38 1bs3 s TRP 126 Cb 0.00 -0.31 -0.03 0.00 -1.15 0.00 0.00 33.47 31.97 1bs3 s TRP 126 CO 0.00 -0.21 0.02 0.00 0.02 0.00 0.00 176.95 176.78 1bs3 s ALA 127 N -2.23 3.26 -0.02 0.98 0.00 -0.88 -0.87 121.76 122.00 1bs3 s ALA 127 Ca -0.07 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 1bs3 s ALA 127 Cb -0.04 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.41 1bs3 s ALA 127 CO -0.03 0.32 0.05 0.45 0.00 0.00 0.00 175.76 176.54 1bs3 s SER 128 N -0.03 -0.01 -0.29 0.00 0.15 -0.06 -1.25 113.70 112.21 1bs3 s SER 128 Ca 0.04 0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.67 1bs3 s SER 128 Cb -0.13 0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.18 1bs3 s SER 128 CO 0.02 -0.07 0.17 -0.22 1.20 0.00 0.00 173.24 174.35 1bs3 s LEU 129 N 0.50 4.01 0.18 3.45 2.96 0.84 -0.14 118.68 130.48 1bs3 s LEU 129 Ca -0.04 -0.16 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 1bs3 s LEU 129 Cb -0.06 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1bs3 s LEU 129 CO -0.02 -0.09 -0.13 0.68 -1.32 0.00 0.00 176.35 175.48 1bs3 s VAL 130 N 1.72 1.48 -0.23 1.68 -7.23 -0.16 -0.63 120.40 117.02 1bs3 s VAL 130 Ca 0.07 -2.13 -0.14 0.00 -1.81 0.00 0.00 61.98 57.97 1bs3 s VAL 130 Cb -0.16 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1bs3 s VAL 130 CO 0.09 -0.66 0.31 0.86 -0.31 0.00 0.00 175.10 175.40 1bs3 s TRP 131 N -3.10 3.32 -0.49 2.82 -0.11 0.41 -1.33 118.94 120.46 1bs3 s TRP 131 Ca 0.19 0.43 -0.17 0.00 1.22 0.00 0.00 56.10 57.77 1bs3 s TRP 131 Cb 0.01 -2.45 0.06 0.00 -1.50 0.00 0.00 33.47 29.59 1bs3 s TRP 131 CO 0.04 -0.04 0.51 0.34 -4.62 0.00 0.00 176.95 173.19 1bs3 s ASP 132 N 1.19 6.19 0.34 5.86 2.15 0.65 -1.73 116.67 131.32 1bs3 s ASP 132 Ca 0.14 -1.07 0.04 0.00 0.43 0.00 0.00 52.55 52.08 1bs3 s ASP 132 Cb -0.15 -2.24 0.60 0.00 -0.30 0.00 0.00 42.92 40.83 1bs3 s ASP 132 CO 0.07 -0.76 1.89 -0.65 -0.17 0.00 0.00 175.17 175.55 1bs3 h PRO 133 N 8.87 0.58 0.11 4.34 0.11 -1.85 0.48 132.00 144.64 1bs3 h PRO 133 Ca -0.28 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1bs3 h PRO 133 Cb 1.10 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1bs3 h PRO 133 CO 0.91 0.56 -0.05 1.25 -0.21 0.00 0.00 178.00 180.46 1bs3 h LEU 134 N 0.56 -0.13 -0.24 2.35 5.85 -1.93 -3.22 115.31 118.55 1bs3 h LEU 134 Ca 0.13 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1bs3 h LEU 134 Cb 0.27 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1bs3 h LEU 134 CO 0.00 0.33 -0.21 0.61 -0.34 0.00 0.00 178.44 178.84 1bs3 n GLY 135 N 0.15 -0.97 3.68 3.75 0.00 -1.21 -4.96 105.19 105.64 1bs3 n GLY 135 Ca -0.09 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1bs3 n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bs3 n LYS 136 N -1.03 -1.77 -3.98 1.61 5.02 0.16 -4.99 118.16 113.19 1bs3 n LYS 136 Ca 0.11 0.49 -0.09 0.00 -2.02 0.00 0.00 58.31 56.80 1bs3 n LYS 136 Cb 0.31 -4.35 -0.05 0.00 -0.02 0.00 0.00 35.03 30.93 1bs3 n LYS 136 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1bs3 s ARG 137 N -5.94 1.54 -0.22 1.97 1.70 -0.91 -4.98 118.95 112.12 1bs3 s ARG 137 Ca 0.39 -1.22 -0.09 0.00 -0.47 0.00 0.00 55.73 54.34 1bs3 s ARG 137 Cb -0.13 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 1bs3 s ARG 137 CO 0.85 -0.64 0.11 0.42 -1.08 0.00 0.00 175.30 174.96 1bs3 s ILE 138 N -4.01 5.01 0.27 4.99 1.01 -1.26 -0.25 121.20 126.96 1bs3 s ILE 138 Ca 0.21 0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.99 1bs3 s ILE 138 Cb -0.01 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1bs3 s ILE 138 CO 0.08 0.39 -0.09 0.20 0.00 0.00 0.00 174.94 175.52 1bs3 s ASN 139 N 0.88 2.87 -0.09 3.58 0.01 -0.44 -4.92 114.94 116.83 1bs3 s ASN 139 Ca 0.06 -1.14 -0.02 0.00 -0.71 0.00 0.00 52.86 51.05 1bs3 s ASN 139 Cb -0.13 -0.19 -0.03 0.00 0.41 0.00 0.00 41.25 41.31 1bs3 s ASN 139 CO 0.03 -0.26 -0.02 0.42 -1.51 0.00 0.00 177.10 175.77 1bs3 s THR 140 N -2.93 4.16 0.18 1.60 -4.23 -1.26 -0.99 115.64 112.18 1bs3 s THR 140 Ca 0.28 -0.30 0.07 0.00 -1.18 0.00 0.00 61.69 60.56 1bs3 s THR 140 Cb 0.02 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 1bs3 s THR 140 CO 0.11 0.59 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.88 1bs3 s LEU 141 N -0.71 2.51 -0.33 4.79 1.43 0.80 -4.98 118.68 122.19 1bs3 s LEU 141 Ca 0.11 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.28 1bs3 s LEU 141 Cb -0.12 -0.65 0.10 0.00 0.03 0.00 0.00 46.19 45.55 1bs3 s LEU 141 CO 0.02 -0.16 0.06 -1.58 0.23 0.00 0.00 176.35 174.92 1bs3 s GLN 142 N -3.39 1.33 0.38 1.70 0.74 -1.26 -0.88 119.66 118.28 1bs3 s GLN 142 Ca 0.19 -1.70 -0.25 0.00 0.05 0.00 0.00 55.36 53.65 1bs3 s GLN 142 Cb -0.02 -2.95 -0.09 0.00 1.10 0.00 0.00 33.01 31.05 1bs3 s GLN 142 CO 0.06 -0.94 1.03 -0.06 -0.55 0.00 0.00 175.29 174.82 1bs3 s PHE 143 N 1.05 3.37 -0.14 1.67 0.08 -0.05 -4.72 117.98 119.25 1bs3 s PHE 143 Ca 0.10 1.67 -0.06 0.00 0.12 0.00 0.00 56.93 58.77 1bs3 s PHE 143 Cb -0.19 -3.09 -0.04 0.00 -0.57 0.00 0.00 43.02 39.13 1bs3 s PHE 143 CO -0.12 -0.45 0.05 0.71 -0.10 0.00 0.00 175.22 175.31 1bs3 s TYR 144 N -1.63 3.28 0.00 0.36 2.02 -0.31 -1.54 117.35 119.52 1bs3 s TYR 144 Ca 0.56 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 57.43 1bs3 s TYR 144 Cb -0.22 -1.96 0.00 0.00 -0.40 0.00 0.00 41.96 39.38 1bs3 s TYR 144 CO 0.27 0.34 0.00 -0.25 -1.57 0.00 0.00 175.55 174.35 1bs3 n ASP 145 N 2.85 0.00 0.00 2.29 8.00 0.81 -2.12 116.55 128.37 1bs3 n ASP 145 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1bs3 n ASP 145 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1bs3 n ASP 145 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1bs3 n HIS 146 N 8.97 0.00 -0.37 1.24 8.25 -1.26 -4.00 115.22 128.05 1bs3 n HIS 146 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1bs3 n HIS 146 Cb 0.00 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.21 1bs3 n HIS 146 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bs3 n GLN 147 N -1.57 2.64 -4.43 -0.41 0.00 -1.21 -4.76 117.38 107.64 1bs3 n GLN 147 Ca 0.00 -2.02 -0.26 0.00 0.00 0.00 0.00 57.00 54.72 1bs3 n GLN 147 Cb 0.36 -1.27 -0.11 0.00 0.00 0.00 0.00 30.24 29.21 1bs3 n GLN 147 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1bs3 s ASN 148 N -1.46 3.52 -0.62 2.61 0.01 -0.90 -4.81 114.94 113.28 1bs3 s ASN 148 Ca 0.18 -0.91 -0.02 0.00 -0.71 0.00 0.00 52.86 51.40 1bs3 s ASN 148 Cb 0.13 -0.29 0.00 0.00 0.41 0.00 0.00 41.25 41.50 1bs3 s ASN 148 CO 0.06 0.09 0.53 -3.20 -1.51 0.00 0.00 177.10 173.07 1bs3 n ASN 149 N -0.03 -2.89 -3.71 -1.22 5.15 -1.26 -1.16 115.26 110.14 1bs3 n ASN 149 Ca -0.10 -0.29 -0.14 0.00 -0.60 0.00 0.00 54.58 53.45 1bs3 n ASN 149 Cb 0.57 -2.75 -0.09 0.00 -0.53 0.00 0.00 39.78 36.99 1bs3 n ASN 149 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1bs3 s LEU 150 N -4.12 0.38 0.35 1.20 2.34 -1.26 -4.47 118.68 113.10 1bs3 s LEU 150 Ca 0.12 0.58 -0.23 0.00 0.06 0.00 0.00 54.13 54.65 1bs3 s LEU 150 Cb -0.05 1.56 -0.10 0.00 -0.56 0.00 0.00 46.19 47.04 1bs3 s LEU 150 CO 0.36 -0.32 0.91 -2.84 -1.06 0.00 0.00 176.35 173.40 1bs3 s PRO 151 N -0.52 4.40 0.50 1.48 0.02 -1.26 -5.03 135.00 134.60 1bs3 s PRO 151 Ca -0.06 1.18 -0.22 0.00 0.02 0.00 0.00 61.00 61.91 1bs3 s PRO 151 Cb -0.03 -2.58 -0.06 0.00 0.02 0.00 0.00 34.50 31.84 1bs3 s PRO 151 CO 0.03 0.18 1.28 0.00 -0.33 0.00 0.00 177.00 178.17 1bs3 s ALA 152 N -1.82 2.91 0.00 -1.55 0.00 -1.26 -2.83 121.76 117.22 1bs3 s ALA 152 Ca 0.54 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1bs3 s ALA 152 Cb -0.15 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1bs3 s ALA 152 CO 0.20 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1bs3 n GLY 153 N 0.61 0.93 3.71 0.00 0.00 -1.26 -5.03 105.19 104.15 1bs3 n GLY 153 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1bs3 n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bs3 s SER 154 N -3.01 6.82 -0.35 1.61 0.01 -1.13 -4.55 113.70 113.11 1bs3 s SER 154 Ca 0.00 2.30 -0.13 0.00 1.31 0.00 0.00 55.95 59.43 1bs3 s SER 154 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 1bs3 s SER 154 CO 0.00 -0.67 0.25 -0.63 0.41 0.00 0.00 173.24 172.60 1bs3 s ILE 155 N 1.30 5.28 0.08 1.44 -1.09 -0.70 -4.93 121.20 122.58 1bs3 s ILE 155 Ca 0.65 -0.25 -0.31 0.00 -2.23 0.00 0.00 60.65 58.51 1bs3 s ILE 155 Cb -0.36 -3.74 -0.07 0.00 -1.58 0.00 0.00 42.46 36.71 1bs3 s ILE 155 CO 0.30 -0.04 1.36 -2.16 -1.23 0.00 0.00 174.94 173.17 1bs3 s PRO 156 N 1.72 4.33 -0.14 2.79 0.04 -1.26 -0.45 135.00 142.04 1bs3 s PRO 156 Ca 0.06 1.99 -0.03 0.00 0.04 0.00 0.00 61.00 63.06 1bs3 s PRO 156 Cb -0.18 -3.33 -0.08 0.00 0.04 0.00 0.00 34.50 30.96 1bs3 s PRO 156 CO 0.11 -0.43 -0.15 1.28 0.04 0.00 0.00 177.00 177.84 1bs3 n LEU 157 N 4.22 1.98 -3.70 -3.56 4.77 0.19 -4.91 117.00 115.98 1bs3 n LEU 157 Ca 0.11 0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 56.01 1bs3 n LEU 157 Cb 0.43 -0.45 -0.14 0.00 -2.33 0.00 0.00 43.42 40.93 1bs3 n LEU 157 CO 0.58 0.51 -0.19 -0.22 -1.33 0.00 0.00 177.39 176.74 1bs3 s LEU 158 N -6.30 0.24 0.06 2.23 2.96 -0.95 -4.52 118.68 112.40 1bs3 s LEU 158 Ca -0.19 0.41 0.06 0.00 -0.22 0.00 0.00 54.13 54.18 1bs3 s LEU 158 Cb 0.06 0.47 -0.03 0.00 0.50 0.00 0.00 46.19 47.20 1bs3 s LEU 158 CO 0.28 -0.20 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.85 1bs3 s GLN 159 N 1.74 1.00 -0.14 1.98 -0.21 -1.26 -0.11 119.66 122.65 1bs3 s GLN 159 Ca -0.04 -0.92 -0.01 0.00 0.02 0.00 0.00 55.36 54.41 1bs3 s GLN 159 Cb -0.12 -1.07 0.04 0.00 1.00 0.00 0.00 33.01 32.86 1bs3 s GLN 159 CO -0.07 0.26 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.14 1bs3 s LEU 160 N -1.48 1.32 -0.21 2.90 2.96 -0.38 -4.76 118.68 119.03 1bs3 s LEU 160 Ca 0.02 -0.48 -0.29 0.00 -0.22 0.00 0.00 54.13 53.16 1bs3 s LEU 160 Cb -0.09 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.76 1bs3 s LEU 160 CO 0.02 -0.17 1.46 -0.62 -1.32 0.00 0.00 176.35 175.72 1bs3 s ASP 161 N 1.71 6.62 -0.05 3.68 -1.08 -1.26 -2.07 116.67 124.22 1bs3 s ASP 161 Ca 0.03 1.59 0.16 0.00 -0.52 0.00 0.00 52.55 53.81 1bs3 s ASP 161 Cb -0.14 -2.54 0.51 0.00 -1.46 0.00 0.00 42.92 39.29 1bs3 s ASP 161 CO -0.08 -1.06 1.43 0.23 0.52 0.00 0.00 175.17 176.21 1bs3 n MET 162 N 7.27 3.04 -2.19 4.34 2.81 0.07 -4.84 117.12 127.62 1bs3 n MET 162 Ca 0.16 -2.48 -0.37 0.00 -1.81 0.00 0.00 57.70 53.20 1bs3 n MET 162 Cb 0.45 -1.55 -0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1bs3 n MET 162 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1bs3 s TRP 163 N -1.40 2.79 0.43 2.03 0.52 -1.21 -4.37 118.94 117.73 1bs3 s TRP 163 Ca 0.38 1.51 0.13 0.00 0.02 0.00 0.00 56.10 58.15 1bs3 s TRP 163 Cb 0.23 -3.44 1.01 0.00 -1.15 0.00 0.00 33.47 30.12 1bs3 s TRP 163 CO 0.21 -1.70 1.98 0.93 0.02 0.00 0.00 176.95 178.39 1bs3 h GLU 164 N 1.96 0.42 0.00 4.98 5.08 -1.93 -0.98 114.58 124.10 1bs3 h GLU 164 Ca -0.50 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1bs3 h GLU 164 Cb 1.25 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1bs3 h GLU 164 CO 0.60 0.28 -0.02 1.12 -1.00 0.00 0.00 179.01 179.99 1bs3 h HIS 165 N 0.43 0.00 0.00 4.33 2.07 -1.98 0.86 115.15 120.86 1bs3 h HIS 165 Ca 0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.80 1bs3 h HIS 165 Cb 0.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.52 1bs3 h HIS 165 CO -0.00 0.02 0.00 0.00 -3.07 0.00 0.00 177.93 174.88 1bs3 h ALA 166 N 1.98 1.00 0.00 6.11 0.00 -1.50 -3.40 119.26 123.46 1bs3 h ALA 166 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bs3 h ALA 166 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1bs3 h ALA 166 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 179.25 181.22 1bs3 n PHE 167 N -2.73 0.00 -0.21 0.00 1.16 -0.81 -4.97 117.46 109.91 1bs3 n PHE 167 Ca 0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.59 1bs3 n PHE 167 Cb 0.38 0.00 0.09 0.00 -1.61 0.00 0.00 39.48 38.35 1bs3 n PHE 167 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 1bs3 h TYR 168 N 0.00 0.55 -0.09 2.97 3.20 -1.05 0.23 116.97 122.78 1bs3 h TYR 168 Ca 0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.92 1bs3 h TYR 168 Cb 0.00 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 1bs3 h TYR 168 CO 0.00 0.23 0.07 -0.07 -1.64 0.00 0.00 178.16 176.75 1bs3 h LEU 169 N 0.56 0.00 0.00 2.82 3.38 -1.87 -0.27 115.31 119.93 1bs3 h LEU 169 Ca 0.28 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.88 1bs3 h LEU 169 Cb 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1bs3 h LEU 169 CO -0.21 0.00 -2.29 1.67 0.09 0.00 0.00 178.44 177.70 1bs3 n GLN 170 N -4.40 0.51 0.00 1.13 7.27 -0.97 -4.72 117.38 116.20 1bs3 n GLN 170 Ca -0.01 0.19 0.10 0.00 0.07 0.00 0.00 57.00 57.35 1bs3 n GLN 170 Cb 0.18 -1.36 0.01 0.00 2.41 0.00 0.00 30.24 31.48 1bs3 n GLN 170 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1bs3 n TYR 171 N -3.78 0.00 -1.20 3.69 4.01 0.77 -5.06 117.16 115.58 1bs3 n TYR 171 Ca -0.44 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 1bs3 n TYR 171 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.88 1bs3 n TYR 171 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1bs3 n LYS 172 N 0.13 0.00 0.00 -0.72 4.01 -0.11 -1.93 118.16 119.54 1bs3 n LYS 172 Ca 0.09 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 58.03 1bs3 n LYS 172 Cb 0.44 0.00 0.57 0.00 -0.51 0.00 0.00 35.03 35.53 1bs3 n LYS 172 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1bs3 n ASN 173 N 3.39 0.08 -4.57 4.39 6.94 -1.26 -4.35 115.26 119.88 1bs3 n ASN 173 Ca 0.00 0.34 -0.43 0.00 -0.02 0.00 0.00 54.58 54.47 1bs3 n ASN 173 Cb 0.00 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 1bs3 n ASN 173 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1bs3 n VAL 174 N -1.48 3.94 -0.11 3.53 0.31 -0.81 -4.79 118.33 118.92 1bs3 n VAL 174 Ca 0.07 -4.10 0.04 0.00 -0.01 0.00 0.00 64.34 60.34 1bs3 n VAL 174 Cb 0.33 -2.35 0.35 0.00 -0.91 0.00 0.00 33.84 31.26 1bs3 n VAL 174 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1bs3 h LYS 175 N 7.55 0.72 -0.76 5.55 1.57 -1.84 -2.86 116.57 126.50 1bs3 h LYS 175 Ca 0.45 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1bs3 h LYS 175 Cb 0.87 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 1bs3 h LYS 175 CO 1.47 0.48 0.46 0.78 -0.57 0.00 0.00 179.45 182.06 1bs3 h GLY 176 N 0.74 1.10 1.83 3.86 0.00 -1.96 -2.00 103.07 106.64 1bs3 h GLY 176 Ca 0.23 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 1bs3 h GLY 176 CO -0.06 0.44 -0.50 -0.55 0.00 0.00 0.00 176.54 175.87 1bs3 h ASP 177 N 1.05 0.20 -0.00 0.19 3.32 -1.90 -1.64 116.42 117.63 1bs3 h ASP 177 Ca 0.27 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1bs3 h ASP 177 Cb -0.04 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1bs3 h ASP 177 CO -0.05 0.67 -0.00 0.22 -1.72 0.00 0.00 179.24 178.36 1bs3 h TYR 178 N 0.15 0.00 -0.52 4.55 3.20 -1.46 -1.81 116.97 121.09 1bs3 h TYR 178 Ca 0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1bs3 h TYR 178 Cb 0.94 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 1bs3 h TYR 178 CO 0.01 0.34 0.26 0.28 -1.64 0.00 0.00 178.16 177.42 1bs3 h VAL 179 N -0.33 1.19 -0.58 1.81 2.07 -1.34 -0.35 116.25 118.72 1bs3 h VAL 179 Ca 0.00 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.03 1bs3 h VAL 179 Cb 0.34 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1bs3 h VAL 179 CO 0.00 0.21 0.36 0.50 0.02 0.00 0.00 177.57 178.66 1bs3 h LYS 180 N 0.69 0.70 -0.24 1.57 3.64 -1.29 -2.36 116.57 119.28 1bs3 h LYS 180 Ca 0.18 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 1bs3 h LYS 180 Cb 0.09 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1bs3 h LYS 180 CO -0.03 0.46 -0.39 0.77 -2.27 0.00 0.00 179.45 178.00 1bs3 h SER 181 N 0.72 0.59 -0.90 4.20 0.02 -1.08 -3.20 113.55 113.91 1bs3 h SER 181 Ca 0.23 -0.26 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1bs3 h SER 181 Cb -0.01 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.32 1bs3 h SER 181 CO -0.08 0.92 0.59 -0.25 -1.14 0.00 0.00 176.83 176.86 1bs3 h TRP 182 N 0.46 1.10 -0.49 3.45 7.01 -0.53 -2.29 115.95 124.67 1bs3 h TRP 182 Ca 0.04 0.03 0.14 0.00 2.11 0.00 0.00 58.89 61.21 1bs3 h TRP 182 Cb 0.88 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 1bs3 h TRP 182 CO 0.03 0.66 0.38 -1.49 -2.79 0.00 0.00 178.44 175.23 1bs3 h TRP 183 N 1.16 0.00 0.00 2.65 4.06 -1.49 -1.26 115.95 121.07 1bs3 h TRP 183 Ca 0.35 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.27 1bs3 h TRP 183 Cb -0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.12 1bs3 h TRP 183 CO -0.00 0.00 -0.12 -0.91 -3.56 0.00 0.00 178.44 173.85 1bs3 h ASN 184 N 0.00 0.00 -0.33 -3.49 2.35 -1.58 -3.02 115.58 109.51 1bs3 h ASN 184 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1bs3 h ASN 184 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1bs3 h ASN 184 CO -0.00 0.12 0.00 1.33 -1.65 0.00 0.00 177.43 177.23 1bs3 n VAL 185 N -3.58 1.46 -2.09 2.81 0.24 -0.48 -4.58 118.33 112.11 1bs3 n VAL 185 Ca -0.02 -1.30 -0.42 0.00 -2.04 0.00 0.00 64.34 60.56 1bs3 n VAL 185 Cb 0.25 0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 32.83 1bs3 n VAL 185 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1bs3 s VAL 186 N -1.64 3.30 -0.97 3.34 1.01 -1.14 -1.10 120.40 123.20 1bs3 s VAL 186 Ca 0.31 0.81 -0.17 0.00 0.00 0.00 0.00 61.98 62.92 1bs3 s VAL 186 Cb 0.20 -3.52 0.15 0.00 0.00 0.00 0.00 36.38 33.22 1bs3 s VAL 186 CO 0.14 0.02 1.13 0.21 0.00 0.00 0.00 175.10 176.60 1bs3 s ASN 187 N 1.77 6.74 0.66 3.32 3.04 0.92 -4.78 114.94 126.60 1bs3 s ASN 187 Ca 0.68 -2.33 0.43 0.00 0.04 0.00 0.00 52.86 51.68 1bs3 s ASN 187 Cb -0.36 -2.37 2.34 0.00 -1.54 0.00 0.00 41.25 39.31 1bs3 s ASN 187 CO 0.30 -0.93 2.35 -0.50 -3.04 0.00 0.00 177.10 175.27 1bs3 h TRP 188 N 8.37 0.00 -0.35 0.43 4.06 -1.84 -1.85 115.95 124.76 1bs3 h TRP 188 Ca 0.18 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.97 1bs3 h TRP 188 Cb 1.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.15 1bs3 h TRP 188 CO 1.13 0.00 -0.41 -0.44 -3.56 0.00 0.00 178.44 175.16 1bs3 h ASP 189 N 0.00 0.95 -0.41 -3.49 3.32 -1.90 -0.03 116.42 114.86 1bs3 h ASP 189 Ca -0.00 -0.44 -0.10 0.00 0.02 0.00 0.00 57.03 56.51 1bs3 h ASP 189 Cb 0.03 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1bs3 h ASP 189 CO 0.00 1.23 -0.14 -0.78 -1.72 0.00 0.00 179.24 177.83 1bs3 h ASP 190 N 0.71 0.83 -0.72 6.45 3.58 -1.63 -1.63 116.42 124.01 1bs3 h ASP 190 Ca 0.05 -0.38 -0.05 0.00 0.42 0.00 0.00 57.03 57.07 1bs3 h ASP 190 Cb 1.00 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.79 1bs3 h ASP 190 CO 0.10 1.02 0.26 0.58 -2.88 0.00 0.00 179.24 178.32 1bs3 h VAL 191 N 0.63 1.25 -0.72 2.25 2.07 -1.41 -1.38 116.25 118.95 1bs3 h VAL 191 Ca 0.10 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1bs3 h VAL 191 Cb 0.68 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1bs3 h VAL 191 CO 0.05 0.33 0.28 0.00 0.02 0.00 0.00 177.57 178.25 1bs3 h ALA 192 N 1.13 1.13 -0.47 1.67 0.00 -0.83 -0.78 119.26 121.11 1bs3 h ALA 192 Ca 0.24 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1bs3 h ALA 192 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1bs3 h ALA 192 CO -0.01 0.62 -0.03 1.25 0.00 0.00 0.00 179.25 181.07 1bs3 h LEU 193 N 1.04 0.85 -0.93 0.00 5.85 -0.92 -1.51 115.31 119.69 1bs3 h LEU 193 Ca 0.24 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 1bs3 h LEU 193 Cb 0.21 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1bs3 h LEU 193 CO -0.02 0.97 -0.22 0.03 -0.34 0.00 0.00 178.44 178.86 1bs3 h ARG 194 N 0.71 0.53 -0.26 1.25 3.08 -0.90 -1.94 114.38 116.84 1bs3 h ARG 194 Ca 0.13 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1bs3 h ARG 194 Cb 0.55 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1bs3 h ARG 194 CO 0.03 0.72 -0.02 0.35 -1.07 0.00 0.00 179.97 179.98 1bs3 h PHE 195 N 0.47 0.51 -0.53 3.04 3.57 -0.94 -0.63 116.94 122.43 1bs3 h PHE 195 Ca 0.07 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1bs3 h PHE 195 Cb 0.64 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1bs3 h PHE 195 CO 0.02 0.64 0.29 0.77 -2.23 0.00 0.00 178.31 177.80 1bs3 h SER 196 N 0.23 0.67 1.33 0.41 0.02 -1.11 -1.56 113.55 113.55 1bs3 h SER 196 Ca 0.07 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1bs3 h SER 196 Cb 0.45 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1bs3 h SER 196 CO 0.02 0.58 -0.08 -0.33 -1.14 0.00 0.00 176.83 175.87 1bs3 h GLU 197 N 0.71 0.00 0.18 3.45 5.08 -1.31 -3.25 114.58 119.44 1bs3 h GLU 197 Ca 0.19 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.27 1bs3 h GLU 197 Cb 0.06 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.34 1bs3 h GLU 197 CO -0.03 0.08 -1.20 0.00 -1.00 0.00 0.00 179.01 176.87 1bs3 h ALA 198 N 1.92 -0.10 -0.18 3.43 0.00 -0.60 -3.28 119.26 120.45 1bs3 h ALA 198 Ca -0.00 -0.78 0.05 0.00 0.00 0.00 0.00 54.91 54.18 1bs3 h ALA 198 Cb 0.77 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1bs3 h ALA 198 CO 0.01 0.58 0.14 0.00 0.00 0.00 0.00 179.25 179.99 1bs3 h ARG 199 N 0.03 0.00 -0.00 0.00 3.08 -1.33 -1.64 114.38 114.52 1bs3 h ARG 199 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1bs3 h ARG 199 Cb 1.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.97 1bs3 h ARG 199 CO 0.23 0.00 -0.42 1.33 -1.07 0.00 0.00 179.97 180.04 1bs3 n VAL 200 N -4.32 0.00 -0.55 2.04 0.24 -1.24 -5.14 118.33 109.36 1bs3 n VAL 200 Ca 0.01 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1bs3 n VAL 200 Cb 0.28 0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1bs3 n VAL 200 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69