#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 1.37 -3.46 0.00 2.07 -1.98 -3.44 116.25 110.81 1bs3 h VAL 2 Ca 0.00 -1.26 -0.68 0.00 0.82 0.00 0.00 66.70 65.58 1bs3 h VAL 2 Cb 0.00 2.03 -0.16 0.00 -1.52 0.00 0.00 31.29 31.64 1bs3 h VAL 2 CO 0.00 0.35 -0.66 -0.31 0.02 0.00 0.00 177.57 176.97 1bs3 s TYR 3 N -4.24 3.04 0.06 1.57 2.02 -1.26 -5.12 117.35 113.43 1bs3 s TYR 3 Ca -0.15 0.09 0.03 0.00 -0.37 0.00 0.00 57.07 56.68 1bs3 s TYR 3 Cb 0.04 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.85 1bs3 s TYR 3 CO 0.72 0.42 -0.10 0.95 -1.57 0.00 0.00 175.55 175.96 1bs3 s THR 4 N -0.93 0.81 -0.31 -0.71 -4.23 -1.26 -4.93 115.64 104.08 1bs3 s THR 4 Ca 0.15 -1.26 -0.29 0.00 -1.18 0.00 0.00 61.69 59.11 1bs3 s THR 4 Cb -0.11 -0.91 0.02 0.00 1.34 0.00 0.00 72.50 72.84 1bs3 s THR 4 CO 0.05 -0.36 1.08 -0.22 -0.54 0.00 0.00 174.62 174.62 1bs3 s LEU 5 N -1.79 3.95 0.45 4.79 1.98 -1.26 -5.02 118.68 121.78 1bs3 s LEU 5 Ca -0.04 1.10 -0.21 0.00 -2.89 0.00 0.00 54.13 52.08 1bs3 s LEU 5 Cb -0.09 -3.54 -0.09 0.00 0.66 0.00 0.00 46.19 43.13 1bs3 s LEU 5 CO 0.01 -0.86 1.02 -2.16 -1.89 0.00 0.00 176.35 172.47 1bs3 s PRO 6 N 3.60 4.00 0.46 0.98 0.04 -1.26 -5.04 135.00 137.78 1bs3 s PRO 6 Ca 0.45 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 1bs3 s PRO 6 Cb -0.13 -2.24 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 1bs3 s PRO 6 CO 0.14 -0.26 0.87 -1.21 0.04 0.00 0.00 177.00 176.58 1bs3 s GLU 7 N -3.01 3.82 0.39 4.56 0.41 -1.26 -5.03 118.70 118.57 1bs3 s GLU 7 Ca 0.63 0.65 -0.26 0.00 -0.41 0.00 0.00 54.97 55.58 1bs3 s GLU 7 Cb -0.16 -2.28 -0.09 0.00 -1.78 0.00 0.00 34.13 29.82 1bs3 s GLU 7 CO 0.20 -0.17 1.25 -0.51 -0.49 0.00 0.00 175.26 175.55 1bs3 s LEU 8 N -4.06 4.25 -0.00 1.80 1.43 -1.26 -4.90 118.68 115.93 1bs3 s LEU 8 Ca 0.54 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 56.19 1bs3 s LEU 8 Cb -0.10 -3.90 0.01 0.00 0.03 0.00 0.00 46.19 42.24 1bs3 s LEU 8 CO 0.33 -0.73 0.88 -0.81 0.23 0.00 0.00 176.35 176.26 1bs3 n PRO 9 N 0.24 1.05 -3.73 1.29 -0.04 -1.26 -4.82 135.00 127.72 1bs3 n PRO 9 Ca 0.03 -0.06 -0.08 0.00 -0.04 0.00 0.00 63.50 63.35 1bs3 n PRO 9 Cb 0.44 -1.15 -0.02 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.73 -0.28 0.69 0.54 -0.85 -1.26 -5.11 117.35 109.34 1bs3 s TYR 10 Ca 0.01 -0.10 -0.16 0.00 -0.52 0.00 0.00 57.07 56.30 1bs3 s TYR 10 Cb 0.01 0.66 0.01 0.00 0.38 0.00 0.00 41.96 43.03 1bs3 s TYR 10 CO 0.01 -1.11 1.19 0.34 -1.52 0.00 0.00 175.55 174.46 1bs3 s ASP 11 N -2.87 4.60 0.55 -0.18 2.15 -1.26 -4.90 116.67 114.76 1bs3 s ASP 11 Ca 0.08 2.29 0.24 0.00 0.43 0.00 0.00 52.55 55.59 1bs3 s ASP 11 Cb -0.04 -2.58 1.45 0.00 -0.30 0.00 0.00 42.92 41.44 1bs3 s ASP 11 CO 0.01 -1.99 2.08 1.88 -0.17 0.00 0.00 175.17 176.98 1bs3 h TYR 12 N 0.02 0.00 -0.66 -5.34 0.05 -1.97 -1.64 116.97 107.43 1bs3 h TYR 12 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.30 1bs3 h TYR 12 Cb 1.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1bs3 h TYR 12 CO 0.49 0.00 0.00 -1.13 -1.05 0.00 0.00 178.16 176.47 1bs3 n SER 13 N -4.23 3.78 0.28 3.88 3.41 -1.26 -3.88 113.62 115.59 1bs3 n SER 13 Ca 0.03 -2.01 0.14 0.00 -0.26 0.00 0.00 58.87 56.78 1bs3 n SER 13 Cb 0.37 -0.44 0.80 0.00 -0.26 0.00 0.00 64.21 64.67 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 3.86 1.27 -0.01 7.33 0.00 -1.64 -2.65 119.26 127.41 1bs3 h ALA 14 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1bs3 h ALA 14 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1bs3 h ALA 14 CO 0.00 0.10 -0.13 1.28 0.00 0.00 0.00 179.25 180.50 1bs3 n LEU 15 N -3.57 1.47 -4.76 0.00 4.77 -1.26 -4.36 117.00 109.29 1bs3 n LEU 15 Ca -0.02 -0.46 -0.34 0.00 -0.03 0.00 0.00 56.01 55.16 1bs3 n LEU 15 Cb 0.20 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1bs3 n LEU 15 CO 0.28 0.26 0.76 -1.61 -1.33 0.00 0.00 177.39 175.75 1bs3 s GLU 16 N -2.23 2.71 0.00 3.23 2.02 -1.00 -2.11 118.70 121.32 1bs3 s GLU 16 Ca 0.30 1.50 0.31 0.00 0.02 0.00 0.00 54.97 57.11 1bs3 s GLU 16 Cb 0.20 -1.93 1.79 0.00 0.10 0.00 0.00 34.13 34.29 1bs3 s GLU 16 CO 0.42 -1.34 2.17 -0.35 0.02 0.00 0.00 175.26 176.18 1bs3 n PRO 17 N -2.36 1.04 -0.13 0.39 -0.04 -1.26 -4.87 135.00 127.77 1bs3 n PRO 17 Ca 0.11 -0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 1bs3 n PRO 17 Cb 0.51 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.26 1.06 -3.25 0.54 0.05 -1.77 -3.42 116.97 110.44 1bs3 h TYR 18 Ca 0.00 -0.28 -0.47 0.00 0.05 0.00 0.00 58.73 58.03 1bs3 h TYR 18 Cb 0.07 -0.24 -0.38 0.00 1.01 0.00 0.00 36.73 37.19 1bs3 h TYR 18 CO 0.00 1.09 -0.77 0.42 -1.05 0.00 0.00 178.16 177.85 1bs3 s ILE 19 N -4.55 0.47 0.59 -2.88 1.01 -0.98 -4.78 121.20 110.08 1bs3 s ILE 19 Ca -0.12 -0.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.25 1bs3 s ILE 19 Cb 0.11 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 1bs3 s ILE 19 CO 0.86 0.15 1.28 -0.94 0.00 0.00 0.00 174.94 176.29 1bs3 s SER 20 N 1.92 5.09 0.46 3.58 1.04 -1.26 -2.99 113.70 121.55 1bs3 s SER 20 Ca 0.03 2.57 0.23 0.00 0.48 0.00 0.00 55.95 59.27 1bs3 s SER 20 Cb -0.13 -2.62 1.13 0.00 0.10 0.00 0.00 66.02 64.50 1bs3 s SER 20 CO -0.06 -1.67 1.94 1.23 0.98 0.00 0.00 173.24 175.66 1bs3 h GLY 21 N 1.03 0.00 0.97 7.32 0.00 -1.89 -2.26 103.07 108.25 1bs3 h GLY 21 Ca -0.51 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1bs3 h GLY 21 CO 0.55 0.00 0.23 -2.09 0.00 0.00 0.00 176.54 175.23 1bs3 h GLU 22 N 0.00 0.68 -0.19 4.80 4.81 -1.91 -0.01 114.58 122.75 1bs3 h GLU 22 Ca -0.00 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 1bs3 h GLU 22 Cb 0.54 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1bs3 h GLU 22 CO 0.03 0.57 -0.12 0.82 -0.73 0.00 0.00 179.01 179.58 1bs3 h ILE 23 N 0.62 1.32 -0.95 2.32 2.04 -1.86 -2.61 117.51 118.39 1bs3 h ILE 23 Ca 0.16 -1.21 0.09 0.00 1.00 0.00 0.00 64.86 64.91 1bs3 h ILE 23 Cb 0.11 1.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.82 1bs3 h ILE 23 CO -0.02 0.36 0.61 0.24 0.00 0.00 0.00 178.15 179.35 1bs3 h MET 24 N 0.10 0.97 0.21 2.37 2.86 -1.20 0.23 114.93 120.46 1bs3 h MET 24 Ca 0.04 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1bs3 h MET 24 Cb 0.62 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1bs3 h MET 24 CO 0.03 0.64 -0.10 0.93 1.06 0.00 0.00 176.91 179.47 1bs3 h GLU 25 N 1.00 -0.27 -0.15 1.72 5.08 -0.92 -1.64 114.58 119.40 1bs3 h GLU 25 Ca 0.44 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1bs3 h GLU 25 Cb 0.36 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1bs3 h GLU 25 CO -0.20 0.05 0.09 -0.07 -1.00 0.00 0.00 179.01 177.88 1bs3 h LEU 26 N -0.62 0.19 -0.45 1.33 3.38 -1.13 -0.45 115.31 117.55 1bs3 h LEU 26 Ca -0.03 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1bs3 h LEU 26 Cb 0.45 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1bs3 h LEU 26 CO 0.05 0.20 0.22 -0.74 0.09 0.00 0.00 178.44 178.26 1bs3 h HIS 27 N 0.16 0.40 0.00 1.13 2.76 -0.60 0.01 115.15 119.01 1bs3 h HIS 27 Ca 0.05 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1bs3 h HIS 27 Cb 0.05 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1bs3 h HIS 27 CO -0.05 0.20 -0.24 1.25 -1.30 0.00 0.00 177.93 177.79 1bs3 h HIS 28 N 0.44 0.00 -0.00 5.26 -0.00 -1.28 -0.98 115.15 118.59 1bs3 h HIS 28 Ca 0.20 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.48 1bs3 h HIS 28 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 1bs3 h HIS 28 CO -0.11 0.74 -0.43 -0.44 -0.00 0.00 0.00 177.93 177.68 1bs3 h ASP 29 N -1.00 0.00 0.00 3.26 3.32 -1.16 -3.16 116.42 117.69 1bs3 h ASP 29 Ca -0.06 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1bs3 h ASP 29 Cb 0.75 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1bs3 h ASP 29 CO -0.03 0.44 -0.70 0.29 -1.72 0.00 0.00 179.24 177.51 1bs3 n LYS 30 N -4.02 0.37 0.16 3.56 4.76 -0.07 -4.41 118.16 118.51 1bs3 n LYS 30 Ca -0.02 0.15 -0.14 0.00 -2.87 0.00 0.00 58.31 55.43 1bs3 n LYS 30 Cb 0.46 -1.15 -0.08 0.00 -1.84 0.00 0.00 35.03 32.42 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 -0.70 -0.35 -0.67 2.13 3.86 -1.30 -2.38 115.15 115.74 1bs3 h HIS 31 Ca 0.00 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 1bs3 h HIS 31 Cb 0.70 0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 1bs3 h HIS 31 CO -0.30 -0.09 0.23 1.25 0.86 0.00 0.00 177.93 179.88 1bs3 h HIS 32 N -0.57 1.04 -0.94 2.45 -0.00 -1.22 -2.29 115.15 113.62 1bs3 h HIS 32 Ca -0.04 -0.08 0.04 0.00 -0.00 0.00 0.00 60.37 60.29 1bs3 h HIS 32 Cb 0.41 -0.31 -0.06 0.00 -0.00 0.00 0.00 27.41 27.46 1bs3 h HIS 32 CO -0.01 0.82 0.61 -0.22 -0.00 0.00 0.00 177.93 179.13 1bs3 h LYS 33 N 0.99 1.13 -0.87 5.26 3.64 -1.52 -2.02 116.57 123.17 1bs3 h LYS 33 Ca 0.22 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1bs3 h LYS 33 Cb 0.25 -0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1bs3 h LYS 33 CO -0.01 0.75 0.57 0.00 -2.27 0.00 0.00 179.45 178.49 1bs3 h ALA 34 N 1.40 1.13 -0.37 5.00 0.00 -0.87 -1.43 119.26 124.11 1bs3 h ALA 34 Ca 0.38 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 1bs3 h ALA 34 Cb 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1bs3 h ALA 34 CO -0.13 0.47 -0.21 1.88 0.00 0.00 0.00 179.25 181.26 1bs3 h TYR 35 N 1.15 0.82 -0.16 0.00 0.05 -1.18 0.05 116.97 117.70 1bs3 h TYR 35 Ca 0.33 -0.18 -0.03 0.00 0.05 0.00 0.00 58.73 58.90 1bs3 h TYR 35 Cb -0.08 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.45 1bs3 h TYR 35 CO -0.01 0.88 -0.02 0.28 -1.05 0.00 0.00 178.16 178.23 1bs3 h VAL 36 N 0.64 1.27 -0.75 -2.88 2.07 -1.01 -0.13 116.25 115.46 1bs3 h VAL 36 Ca 0.09 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 1bs3 h VAL 36 Cb 0.70 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1bs3 h VAL 36 CO 0.05 0.27 0.29 0.44 0.02 0.00 0.00 177.57 178.65 1bs3 h ASP 37 N 0.01 1.05 -0.56 0.57 3.32 -1.19 -1.44 116.42 118.18 1bs3 h ASP 37 Ca 0.04 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 1bs3 h ASP 37 Cb 0.43 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1bs3 h ASP 37 CO 0.01 0.94 -0.00 1.23 -1.72 0.00 0.00 179.24 179.70 1bs3 h GLY 38 N 1.09 1.10 1.15 2.75 0.00 -0.89 -0.45 103.07 107.82 1bs3 h GLY 38 Ca 0.25 -0.80 -0.12 0.00 0.00 0.00 0.00 47.33 46.66 1bs3 h GLY 38 CO -0.02 0.73 -0.15 0.00 0.00 0.00 0.00 176.54 177.11 1bs3 h ALA 39 N 1.05 0.77 -0.50 3.60 0.00 -0.74 -1.63 119.26 121.81 1bs3 h ALA 39 Ca 0.17 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1bs3 h ALA 39 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1bs3 h ALA 39 CO 0.03 0.67 -0.17 -0.91 0.00 0.00 0.00 179.25 178.87 1bs3 h ASN 40 N 0.87 1.01 -0.65 0.00 2.35 -1.09 -2.79 115.58 115.27 1bs3 h ASN 40 Ca 0.13 -0.38 -0.05 0.00 -0.55 0.00 0.00 56.30 55.45 1bs3 h ASN 40 Cb 0.71 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1bs3 h ASN 40 CO 0.05 1.16 0.22 0.74 -1.65 0.00 0.00 177.43 177.95 1bs3 h THR 41 N 0.85 1.25 -0.79 2.81 2.02 -0.94 -2.16 112.91 115.95 1bs3 h THR 41 Ca 0.12 -0.83 0.03 0.00 0.77 0.00 0.00 66.41 66.49 1bs3 h THR 41 Cb 0.74 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 1bs3 h THR 41 CO 0.06 0.32 0.51 0.00 0.37 0.00 0.00 175.52 176.78 1bs3 h ALA 42 N 1.09 1.03 -0.55 6.16 0.00 -1.20 -0.39 119.26 125.41 1bs3 h ALA 42 Ca 0.21 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1bs3 h ALA 42 Cb 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1bs3 h ALA 42 CO -0.01 0.34 0.01 -0.07 0.00 0.00 0.00 179.25 179.52 1bs3 h LEU 43 N 1.00 0.94 -0.78 0.00 3.38 -1.24 -0.97 115.31 117.64 1bs3 h LEU 43 Ca 0.31 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1bs3 h LEU 43 Cb -0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1bs3 h LEU 43 CO -0.10 1.01 0.32 0.44 0.09 0.00 0.00 178.44 180.19 1bs3 h ASP 44 N 0.85 1.08 -0.56 -0.43 3.32 -0.93 -1.04 116.42 118.70 1bs3 h ASP 44 Ca 0.16 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1bs3 h ASP 44 Cb 0.52 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1bs3 h ASP 44 CO 0.03 0.95 -0.02 0.11 -1.72 0.00 0.00 179.24 178.59 1bs3 h LYS 45 N 1.13 1.02 -0.21 3.56 6.56 -0.85 -1.60 116.57 126.18 1bs3 h LYS 45 Ca 0.26 -0.32 -0.10 0.00 -1.06 0.00 0.00 60.65 59.42 1bs3 h LYS 45 Cb 0.21 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 1bs3 h LYS 45 CO -0.02 1.01 -0.32 -0.07 -2.06 0.00 0.00 179.45 177.99 1bs3 h LEU 46 N 0.93 0.45 -0.52 2.94 3.38 -0.84 -1.42 115.31 120.23 1bs3 h LEU 46 Ca 0.16 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1bs3 h LEU 46 Cb 0.56 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1bs3 h LEU 46 CO 0.03 0.74 -0.11 0.00 0.09 0.00 0.00 178.44 179.19 1bs3 h ALA 47 N 1.29 0.71 -0.35 1.53 0.00 -0.91 -1.97 119.26 119.55 1bs3 h ALA 47 Ca 0.05 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1bs3 h ALA 47 Cb 0.74 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1bs3 h ALA 47 CO 0.06 0.62 -0.16 1.49 0.00 0.00 0.00 179.25 181.26 1bs3 h GLU 48 N 0.86 0.64 -0.49 0.00 4.81 -1.06 -1.90 114.58 117.43 1bs3 h GLU 48 Ca 0.13 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1bs3 h GLU 48 Cb 0.68 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1bs3 h GLU 48 CO 0.05 0.77 0.19 0.00 -0.73 0.00 0.00 179.01 179.28 1bs3 h ALA 49 N 1.25 0.64 -0.56 2.92 0.00 -0.95 -1.83 119.26 120.74 1bs3 h ALA 49 Ca 0.10 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1bs3 h ALA 49 Cb 0.60 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1bs3 h ALA 49 CO 0.04 0.26 -0.04 0.00 0.00 0.00 0.00 179.25 179.51 1bs3 h ARG 50 N 0.66 1.02 -0.40 0.00 3.08 -1.16 0.15 114.38 117.73 1bs3 h ARG 50 Ca 0.16 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1bs3 h ARG 50 Cb 0.22 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1bs3 h ARG 50 CO -0.01 1.03 0.25 -0.44 -1.07 0.00 0.00 179.97 179.74 1bs3 h ASP 51 N 0.90 0.47 0.13 7.04 3.32 -1.13 -2.88 116.42 124.27 1bs3 h ASP 51 Ca 0.15 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1bs3 h ASP 51 Cb 0.60 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1bs3 h ASP 51 CO 0.04 0.36 -0.17 0.29 -1.72 0.00 0.00 179.24 178.04 1bs3 n LYS 52 N -4.79 1.20 -3.58 3.56 5.02 -0.71 -4.94 118.16 113.92 1bs3 n LYS 52 Ca 0.00 -0.74 -0.25 0.00 -2.02 0.00 0.00 58.31 55.30 1bs3 n LYS 52 Cb 0.04 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.62 1bs3 n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bs3 n ALA 53 N -0.25 -1.24 -3.98 7.82 0.00 0.35 -4.96 120.51 118.24 1bs3 n ALA 53 Ca 0.14 0.33 -0.31 0.00 0.00 0.00 0.00 53.44 53.61 1bs3 n ALA 53 Cb 0.37 -4.96 -0.15 0.00 0.00 0.00 0.00 19.45 14.71 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 -3.20 4.65 -0.34 0.00 2.15 -0.18 -4.96 116.67 114.80 1bs3 s ASP 54 Ca 0.56 -2.18 0.08 0.00 0.43 0.00 0.00 52.55 51.44 1bs3 s ASP 54 Cb -0.26 -1.55 0.62 0.00 -0.30 0.00 0.00 42.92 41.43 1bs3 s ASP 54 CO 0.69 -0.37 1.68 0.49 -0.17 0.00 0.00 175.17 177.49 1bs3 n PHE 55 N 4.21 2.01 -0.16 -5.34 3.72 -1.26 -4.51 117.46 116.12 1bs3 n PHE 55 Ca 0.04 -1.51 0.07 0.00 -0.05 0.00 0.00 57.45 56.00 1bs3 n PHE 55 Cb 0.41 -0.66 0.38 0.00 -0.94 0.00 0.00 39.48 38.66 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 1.47 0.90 -3.12 1.37 0.00 -1.97 -2.10 103.07 99.62 1bs3 h GLY 56 Ca 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1bs3 h GLY 56 CO 0.68 0.20 0.00 0.00 0.00 0.00 0.00 176.54 177.42 1bs3 n ALA 57 N -2.46 3.34 -0.31 3.60 0.00 -1.26 -4.66 120.51 118.77 1bs3 n ALA 57 Ca 0.10 -1.60 0.13 0.00 0.00 0.00 0.00 53.44 52.07 1bs3 n ALA 57 Cb 0.25 -1.06 0.30 0.00 0.00 0.00 0.00 19.45 18.94 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 3.84 0.53 -0.74 0.00 6.09 -1.73 0.19 117.51 125.68 1bs3 h ILE 58 Ca 0.00 -0.16 -0.04 0.00 -1.37 0.00 0.00 64.86 63.29 1bs3 h ILE 58 Cb 1.57 0.02 -0.03 0.00 0.47 0.00 0.00 36.82 38.85 1bs3 h ILE 58 CO 0.31 0.08 0.29 0.78 -3.07 0.00 0.00 178.15 176.54 1bs3 h ASN 59 N 0.46 1.01 -0.02 2.19 2.35 -1.85 -0.44 115.58 119.29 1bs3 h ASN 59 Ca 0.56 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 1bs3 h ASN 59 Cb 1.01 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 1bs3 h ASN 59 CO -0.49 0.91 -0.01 0.50 -1.65 0.00 0.00 177.43 176.68 1bs3 h LYS 60 N 1.07 0.05 -0.63 0.81 3.64 -1.39 -2.87 116.57 117.25 1bs3 h LYS 60 Ca 0.25 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1bs3 h LYS 60 Cb 0.21 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1bs3 h LYS 60 CO -0.02 0.45 0.33 -0.07 -2.27 0.00 0.00 179.45 177.87 1bs3 h LEU 61 N -0.36 0.78 -0.72 5.20 3.38 -0.92 0.21 115.31 122.87 1bs3 h LEU 61 Ca 0.00 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1bs3 h LEU 61 Cb 0.44 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1bs3 h LEU 61 CO 0.00 0.64 -0.57 -0.33 0.09 0.00 0.00 178.44 178.27 1bs3 h GLU 62 N 0.87 0.21 0.02 1.13 4.39 -1.12 -0.79 114.58 119.29 1bs3 h GLU 62 Ca 0.22 -0.14 -0.26 0.00 0.34 0.00 0.00 59.36 59.52 1bs3 h GLU 62 Cb 0.05 0.02 0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1bs3 h GLU 62 CO -0.03 0.72 -1.03 -0.22 -1.16 0.00 0.00 179.01 177.29 1bs3 h LYS 63 N 0.16 0.67 -0.67 2.33 3.64 -1.20 -1.44 116.57 120.06 1bs3 h LYS 63 Ca -0.00 -0.74 0.02 0.00 -1.27 0.00 0.00 60.65 58.66 1bs3 h LYS 63 Cb 1.05 0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 1bs3 h LYS 63 CO 0.09 1.32 0.43 -0.44 -2.27 0.00 0.00 179.45 178.57 1bs3 h ASP 64 N 0.33 0.72 -0.03 4.20 3.32 -0.87 0.18 116.42 124.27 1bs3 h ASP 64 Ca -0.13 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1bs3 h ASP 64 Cb 1.69 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 41.07 1bs3 h ASP 64 CO 0.20 0.51 0.00 0.25 -1.72 0.00 0.00 179.24 178.48 1bs3 h LEU 65 N 0.85 0.04 -0.27 1.55 5.85 -1.15 -1.75 115.31 120.43 1bs3 h LEU 65 Ca 0.26 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1bs3 h LEU 65 Cb -0.04 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1bs3 h LEU 65 CO -0.08 0.29 0.15 0.00 -0.34 0.00 0.00 178.44 178.46 1bs3 h ALA 66 N 0.75 0.35 0.55 1.25 0.00 -0.97 0.39 119.26 121.57 1bs3 h ALA 66 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1bs3 h ALA 66 Cb 0.27 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1bs3 h ALA 66 CO 0.00 -0.12 -0.26 0.35 0.00 0.00 0.00 179.25 179.21 1bs3 h PHE 67 N 0.33 -0.68 -0.38 0.00 3.57 -0.68 -0.38 116.94 118.71 1bs3 h PHE 67 Ca 0.10 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 1bs3 h PHE 67 Cb 0.06 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1bs3 h PHE 67 CO -0.03 -0.40 -0.11 -0.91 -2.23 0.00 0.00 178.31 174.62 1bs3 h ASN 68 N -0.79 0.76 -0.48 0.41 2.35 -1.34 -1.03 115.58 115.47 1bs3 h ASN 68 Ca -0.08 -0.37 -0.12 0.00 -0.55 0.00 0.00 56.30 55.19 1bs3 h ASN 68 Cb 0.59 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1bs3 h ASN 68 CO 0.12 0.95 -0.15 0.25 -1.65 0.00 0.00 177.43 176.96 1bs3 h LEU 69 N 0.55 0.98 -0.87 1.61 5.85 -0.97 -0.23 115.31 122.23 1bs3 h LEU 69 Ca 0.09 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 1bs3 h LEU 69 Cb 0.63 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1bs3 h LEU 69 CO 0.04 1.11 0.19 0.00 -0.34 0.00 0.00 178.44 179.45 1bs3 h ALA 70 N 0.96 1.08 -0.68 1.25 0.00 -1.02 0.17 119.26 121.03 1bs3 h ALA 70 Ca 0.13 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1bs3 h ALA 70 Cb 0.71 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1bs3 h ALA 70 CO 0.05 0.62 0.13 0.78 0.00 0.00 0.00 179.25 180.84 1bs3 h GLY 71 N 1.06 1.19 0.84 0.00 0.00 -0.78 0.20 103.07 105.58 1bs3 h GLY 71 Ca 0.22 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 1bs3 h GLY 71 CO -0.01 0.72 -0.00 0.84 0.00 0.00 0.00 176.54 178.09 1bs3 h HIS 72 N 1.04 0.44 0.07 5.60 6.17 -0.60 -1.95 115.15 125.93 1bs3 h HIS 72 Ca 0.21 -0.08 -0.00 0.00 0.71 0.00 0.00 60.37 61.21 1bs3 h HIS 72 Cb 0.41 -0.11 0.00 0.00 2.52 0.00 0.00 27.41 30.23 1bs3 h HIS 72 CO 0.03 0.58 -0.03 0.28 0.71 0.00 0.00 177.93 179.50 1bs3 h VAL 73 N 0.17 1.00 -0.53 5.26 2.07 -0.82 -1.22 116.25 122.18 1bs3 h VAL 73 Ca 0.06 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1bs3 h VAL 73 Cb 0.41 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1bs3 h VAL 73 CO 0.01 0.06 0.31 0.78 0.02 0.00 0.00 177.57 178.75 1bs3 h ASN 74 N -0.20 0.48 0.14 0.57 2.35 -0.96 -2.18 115.58 115.78 1bs3 h ASN 74 Ca -0.01 0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 1bs3 h ASN 74 Cb 0.17 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1bs3 h ASN 74 CO 0.02 0.34 -0.67 0.45 -1.65 0.00 0.00 177.43 175.91 1bs3 h HIS 75 N 0.60 0.65 -0.98 1.19 3.86 -1.32 -0.93 115.15 118.22 1bs3 h HIS 75 Ca 0.22 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1bs3 h HIS 75 Cb 0.06 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.38 1bs3 h HIS 75 CO -0.07 1.02 0.63 0.77 0.86 0.00 0.00 177.93 181.13 1bs3 h SER 76 N 0.35 1.15 -0.18 2.45 0.02 -0.97 -1.40 113.55 114.97 1bs3 h SER 76 Ca -0.02 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.76 1bs3 h SER 76 Cb 1.24 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1bs3 h SER 76 CO 0.12 0.85 -0.38 0.58 -1.14 0.00 0.00 176.83 176.86 1bs3 h VAL 77 N 1.34 1.34 -0.51 2.27 2.07 -1.34 -3.27 116.25 118.15 1bs3 h VAL 77 Ca 0.36 -1.62 0.09 0.00 0.82 0.00 0.00 66.70 66.35 1bs3 h VAL 77 Cb -0.12 1.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 1bs3 h VAL 77 CO -0.07 0.50 0.06 0.15 0.02 0.00 0.00 177.57 178.22 1bs3 h PHE 78 N 0.22 0.08 -0.37 1.57 3.57 -0.52 -1.02 116.94 120.47 1bs3 h PHE 78 Ca 0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1bs3 h PHE 78 Cb 0.98 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1bs3 h PHE 78 CO 0.09 -0.06 0.22 -1.49 -2.23 0.00 0.00 178.31 174.84 1bs3 h TRP 79 N 0.18 0.40 0.00 0.41 -0.00 -1.34 -2.57 115.95 113.03 1bs3 h TRP 79 Ca 0.26 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.16 1bs3 h TRP 79 Cb 0.37 -0.13 0.00 0.00 -0.00 0.00 0.00 29.16 29.40 1bs3 h TRP 79 CO -0.27 0.24 0.00 0.87 -0.00 0.00 0.00 178.44 179.28 1bs3 h LYS 80 N 0.44 0.00 0.00 0.49 1.57 -1.52 -2.86 116.57 114.69 1bs3 h LYS 80 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1bs3 h LYS 80 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1bs3 h LYS 80 CO -0.07 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.90 1bs3 n ASN 81 N -2.82 0.00 -4.52 0.86 5.03 -0.42 -4.72 115.26 108.67 1bs3 n ASN 81 Ca 0.03 0.40 -0.25 0.00 0.87 0.00 0.00 54.58 55.63 1bs3 n ASN 81 Cb 0.38 -0.46 -0.10 0.00 -1.02 0.00 0.00 39.78 38.58 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 -2.92 1.84 -0.02 3.52 -1.94 -1.08 -0.12 119.30 118.59 1bs3 s MET 82 Ca 0.13 -1.55 -0.29 0.00 -1.71 0.00 0.00 55.69 52.27 1bs3 s MET 82 Cb 0.14 -1.94 0.09 0.00 2.01 0.00 0.00 34.83 35.13 1bs3 s MET 82 CO 0.39 0.37 0.77 0.00 -0.01 0.00 0.00 175.02 176.54 1bs3 s ALA 83 N -2.14 -1.78 0.36 3.03 0.00 -0.13 -4.67 121.76 116.43 1bs3 s ALA 83 Ca 0.27 1.13 -0.27 0.00 0.00 0.00 0.00 51.96 53.09 1bs3 s ALA 83 Cb -0.07 0.13 -0.12 0.00 0.00 0.00 0.00 23.12 23.06 1bs3 s ALA 83 CO 0.15 -0.51 1.21 -2.30 0.00 0.00 0.00 175.76 174.31 1bs3 n PRO 84 N 0.35 1.89 -1.70 0.00 -0.02 -1.26 -4.58 135.00 129.68 1bs3 n PRO 84 Ca -0.15 0.67 -0.44 0.00 -2.02 0.00 0.00 63.50 61.57 1bs3 n PRO 84 Cb 0.60 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 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 0.45 2.46 0.00 -0.52 4.81 -1.26 -1.49 118.16 122.61 1bs3 n LYS 85 Ca 0.06 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1bs3 n LYS 85 Cb 0.36 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.75 1bs3 n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bs3 n GLY 86 N 3.10 3.07 0.12 3.14 0.00 -1.26 -4.88 105.19 108.47 1bs3 n GLY 86 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1bs3 n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bs3 n SER 87 N 0.00 0.62 -3.83 1.61 7.64 -0.55 -4.90 113.62 114.20 1bs3 n SER 87 Ca 0.00 -0.50 -0.09 0.00 1.01 0.00 0.00 58.87 59.29 1bs3 n SER 87 Cb 0.00 0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.18 1bs3 n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bs3 s ALA 88 N -2.67 -0.38 0.63 -0.43 0.00 -1.26 -5.00 121.76 112.66 1bs3 s ALA 88 Ca 0.21 -0.54 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 1bs3 s ALA 88 Cb 0.19 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 1bs3 s ALA 88 CO 0.55 -0.62 1.21 -2.30 0.00 0.00 0.00 175.76 174.60 1bs3 n PRO 89 N -0.18 1.07 0.00 0.00 -0.02 -1.26 -4.91 135.00 129.70 1bs3 n PRO 89 Ca -0.12 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 61.90 1bs3 n PRO 89 Cb 0.63 -2.44 0.31 0.00 -0.02 0.00 0.00 33.50 31.99 1bs3 n PRO 89 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1bs3 n GLU 90 N -1.65 0.18 -3.85 -0.52 -0.58 -1.26 -4.29 120.64 108.67 1bs3 n GLU 90 Ca 0.15 -0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.68 1bs3 n GLU 90 Cb 0.48 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.74 1bs3 n GLU 90 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1bs3 s ARG 91 N -2.89 0.30 0.27 3.49 0.52 -1.26 -5.06 118.95 114.32 1bs3 s ARG 91 Ca 0.14 -0.10 -0.29 0.00 -0.52 0.00 0.00 55.73 54.96 1bs3 s ARG 91 Cb 0.18 0.13 -0.09 0.00 0.52 0.00 0.00 34.95 35.69 1bs3 s ARG 91 CO 0.65 -0.06 1.22 -1.25 0.02 0.00 0.00 175.30 175.87 1bs3 s PRO 92 N -0.62 4.48 0.29 3.54 0.04 -1.26 -4.99 135.00 136.49 1bs3 s PRO 92 Ca -0.07 1.99 0.03 0.00 0.04 0.00 0.00 61.00 62.98 1bs3 s PRO 92 Cb -0.04 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 1bs3 s PRO 92 CO 0.01 -0.04 0.09 0.25 0.04 0.00 0.00 177.00 177.35 1bs3 n THR 93 N 1.54 0.00 -1.77 1.26 -2.24 -1.26 -4.27 114.28 107.54 1bs3 n THR 93 Ca 0.01 -1.66 0.00 0.00 -2.27 0.00 0.00 64.05 60.13 1bs3 n THR 93 Cb 0.43 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1bs3 n THR 93 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bs3 n ASP 94 N -1.64 0.00 -0.20 3.42 8.00 -1.26 -1.87 116.55 122.99 1bs3 n ASP 94 Ca -0.05 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.38 1bs3 n ASP 94 Cb 0.43 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.56 1bs3 n ASP 94 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1bs3 h GLU 95 N 0.00 0.80 -0.34 -1.24 3.07 -1.99 -1.65 114.58 113.23 1bs3 h GLU 95 Ca 0.00 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1bs3 h GLU 95 Cb 0.00 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 1bs3 h GLU 95 CO 0.00 0.58 0.13 1.25 -1.40 0.00 0.00 179.01 179.57 1bs3 h LEU 96 N 0.79 0.47 -0.85 1.33 5.85 -1.89 -0.51 115.31 120.49 1bs3 h LEU 96 Ca 0.21 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1bs3 h LEU 96 Cb -0.00 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 1bs3 h LEU 96 CO -0.04 0.51 0.55 1.23 -0.34 0.00 0.00 178.44 180.36 1bs3 h GLY 97 N 0.40 1.21 1.07 3.75 0.00 -1.18 -0.27 103.07 108.04 1bs3 h GLY 97 Ca 0.11 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 1bs3 h GLY 97 CO -0.01 0.39 -0.05 0.00 0.00 0.00 0.00 176.54 176.87 1bs3 h ALA 98 N 1.33 0.74 -0.68 3.60 0.00 -1.07 -2.23 119.26 120.95 1bs3 h ALA 98 Ca 0.33 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1bs3 h ALA 98 Cb -0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1bs3 h ALA 98 CO -0.09 0.61 0.14 0.00 0.00 0.00 0.00 179.25 179.91 1bs3 h ALA 99 N 0.94 0.90 -0.68 0.00 0.00 -0.52 -0.92 119.26 118.98 1bs3 h ALA 99 Ca 0.15 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1bs3 h ALA 99 Cb 0.61 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1bs3 h ALA 99 CO 0.04 0.64 0.14 0.82 0.00 0.00 0.00 179.25 180.88 1bs3 h ILE 100 N 1.03 1.26 -0.42 0.00 2.04 -0.93 -1.22 117.51 119.26 1bs3 h ILE 100 Ca 0.21 -1.00 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 1bs3 h ILE 100 Cb 0.40 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1bs3 h ILE 100 CO 0.01 0.38 -0.08 0.44 0.00 0.00 0.00 178.15 178.90 1bs3 h ASP 101 N 1.04 0.71 -0.29 1.72 3.32 -1.13 -0.47 116.42 121.32 1bs3 h ASP 101 Ca 0.21 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1bs3 h ASP 101 Cb 0.41 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1bs3 h ASP 101 CO 0.01 0.83 -0.10 -0.08 -1.72 0.00 0.00 179.24 178.18 1bs3 h GLU 102 N 0.67 0.58 0.00 3.56 4.81 -0.72 0.84 114.58 124.32 1bs3 h GLU 102 Ca 0.12 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1bs3 h GLU 102 Cb 0.53 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1bs3 h GLU 102 CO 0.03 0.80 -0.66 1.19 -0.73 0.00 0.00 179.01 179.64 1bs3 n PHE 103 N -4.46 0.03 -0.14 0.92 3.72 -0.50 -4.39 117.46 112.64 1bs3 n PHE 103 Ca -0.03 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1bs3 n PHE 103 Cb 0.34 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 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 -1.54 0.00 0.00 1.38 3.01 -0.19 -5.01 117.46 115.11 1bs3 n PHE 104 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1bs3 n PHE 104 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 1bs3 n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bs3 n GLY 105 N 0.34 2.42 3.71 1.37 0.00 0.29 -4.50 105.19 108.83 1bs3 n GLY 105 Ca 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 -0.21 0.19 1.61 1.04 -1.25 -4.73 113.70 110.34 1bs3 s SER 106 Ca 0.00 -0.34 -0.09 0.00 0.48 0.00 0.00 55.95 56.00 1bs3 s SER 106 Cb 0.00 0.48 0.10 0.00 0.10 0.00 0.00 66.02 66.70 1bs3 s SER 106 CO 0.00 -0.87 1.71 0.15 0.98 0.00 0.00 173.24 175.21 1bs3 h PHE 107 N 2.00 1.12 -0.78 5.02 3.57 -1.91 -2.08 116.94 123.89 1bs3 h PHE 107 Ca -0.24 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.09 1bs3 h PHE 107 Cb 1.23 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 1bs3 h PHE 107 CO 0.36 0.91 0.31 -0.44 -2.23 0.00 0.00 178.31 177.22 1bs3 h ASP 108 N 1.00 1.07 -0.62 0.41 3.32 -1.96 -0.06 116.42 119.58 1bs3 h ASP 108 Ca 0.21 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1bs3 h ASP 108 Cb 0.34 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1bs3 h ASP 108 CO -0.00 0.95 0.09 0.78 -1.72 0.00 0.00 179.24 179.33 1bs3 h ASN 109 N 1.13 1.00 -0.42 6.45 2.35 -1.78 -0.59 115.58 123.72 1bs3 h ASN 109 Ca 0.26 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1bs3 h ASN 109 Cb 0.22 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1bs3 h ASN 109 CO -0.02 1.01 0.16 -0.03 -1.65 0.00 0.00 177.43 176.90 1bs3 h MET 110 N 0.94 0.64 -0.58 0.81 4.05 -1.01 -1.66 114.93 118.13 1bs3 h MET 110 Ca 0.19 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1bs3 h MET 110 Cb 0.45 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.12 1bs3 h MET 110 CO 0.01 0.61 0.34 0.87 0.23 0.00 0.00 176.91 178.97 1bs3 h LYS 111 N 0.54 0.79 -0.43 0.39 1.57 -0.74 -0.06 116.57 118.63 1bs3 h LYS 111 Ca 0.14 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1bs3 h LYS 111 Cb 0.22 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1bs3 h LYS 111 CO -0.01 0.58 0.20 0.00 -0.57 0.00 0.00 179.45 179.65 1bs3 h ALA 112 N 1.17 0.56 -0.34 3.86 0.00 -0.90 0.40 119.26 124.00 1bs3 h ALA 112 Ca 0.21 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1bs3 h ALA 112 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1bs3 h ALA 112 CO -0.04 0.13 -0.02 0.37 0.00 0.00 0.00 179.25 179.69 1bs3 h GLN 113 N 0.56 0.62 -0.76 0.00 4.15 -1.11 -1.13 115.11 117.44 1bs3 h GLN 113 Ca 0.15 -0.21 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 1bs3 h GLN 113 Cb 0.13 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 1bs3 h GLN 113 CO -0.02 0.75 0.30 0.35 -1.93 0.00 0.00 178.83 178.29 1bs3 h PHE 114 N 0.42 1.15 -0.35 3.99 3.04 -0.86 -1.17 116.94 123.17 1bs3 h PHE 114 Ca 0.09 -0.09 -0.09 0.00 3.98 0.00 0.00 57.97 61.87 1bs3 h PHE 114 Cb 0.49 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 1bs3 h PHE 114 CO 0.04 0.88 -0.14 1.15 -2.02 0.00 0.00 178.31 178.22 1bs3 h THR 115 N 1.10 1.29 -0.83 4.41 2.02 -0.79 -1.51 112.91 118.58 1bs3 h THR 115 Ca 0.25 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 1bs3 h THR 115 Cb 0.21 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1bs3 h THR 115 CO -0.02 0.41 0.48 0.00 0.37 0.00 0.00 175.52 176.76 1bs3 h ALA 116 N 0.79 1.06 -0.38 6.16 0.00 -0.98 -0.51 119.26 125.40 1bs3 h ALA 116 Ca 0.08 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1bs3 h ALA 116 Cb 0.67 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1bs3 h ALA 116 CO 0.05 0.55 -0.10 0.00 0.00 0.00 0.00 179.25 179.74 1bs3 h ALA 117 N 1.26 1.11 -0.18 0.00 0.00 -1.08 -1.98 119.26 118.39 1bs3 h ALA 117 Ca 0.30 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1bs3 h ALA 117 Cb -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1bs3 h ALA 117 CO -0.05 0.56 -0.27 0.00 0.00 0.00 0.00 179.25 179.48 1bs3 h ALA 118 N 1.28 0.27 0.00 0.00 0.00 -0.38 -3.30 119.26 117.13 1bs3 h ALA 118 Ca 0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1bs3 h ALA 118 Cb 0.53 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1bs3 h ALA 118 CO 0.03 0.27 -0.17 1.79 0.00 0.00 0.00 179.25 181.17 1bs3 h THR 119 N 0.14 0.08 -0.01 0.00 1.35 -1.11 -3.33 112.91 110.05 1bs3 h THR 119 Ca 0.02 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 1bs3 h THR 119 Cb 0.85 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1bs3 h THR 119 CO 0.06 0.05 -0.13 0.61 -0.25 0.00 0.00 175.52 175.86 1bs3 n GLY 120 N 1.12 -0.74 3.70 5.82 0.00 -0.75 -4.94 105.19 109.41 1bs3 n GLY 120 Ca 0.03 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.74 0.25 -3.33 -0.61 5.41 -1.25 -4.93 119.36 114.16 1bs3 n ILE 121 Ca 0.15 -0.06 -0.47 0.00 1.00 0.00 0.00 62.75 63.37 1bs3 n ILE 121 Cb 0.30 -1.79 -0.02 0.00 -0.71 0.00 0.00 39.64 37.42 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 0.67 3.70 0.00 0.38 -0.21 -1.26 -4.90 119.66 118.04 1bs3 s GLN 122 Ca 0.74 -2.59 0.00 0.00 0.02 0.00 0.00 55.36 53.53 1bs3 s GLN 122 Cb -0.57 -4.45 0.00 0.00 1.00 0.00 0.00 33.01 28.99 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 3.76 0.24 3.82 3.09 0.00 -1.26 -5.03 105.19 109.81 1bs3 n GLY 123 Ca 0.16 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 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 6.85 0.00 1.61 0.01 -1.26 -4.93 113.70 111.98 1bs3 s SER 124 Ca 0.00 1.68 0.00 0.00 1.31 0.00 0.00 55.95 58.94 1bs3 s SER 124 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1bs3 s SER 124 CO 0.00 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1bs3 n GLY 125 N -0.78 -1.27 3.04 3.44 0.00 -1.26 -0.57 105.19 107.80 1bs3 n GLY 125 Ca 0.07 -0.89 -0.11 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 -2.78 0.53 -0.16 1.61 0.52 -0.47 -0.76 118.94 117.42 1bs3 s TRP 126 Ca 0.00 -0.57 -0.07 0.00 0.02 0.00 0.00 56.10 55.48 1bs3 s TRP 126 Cb 0.00 -0.33 -0.04 0.00 -1.15 0.00 0.00 33.47 31.95 1bs3 s TRP 126 CO 0.00 -0.14 0.06 0.00 0.02 0.00 0.00 176.95 176.89 1bs3 s ALA 127 N -1.70 3.43 -0.01 0.98 0.00 -0.83 -0.83 121.76 122.80 1bs3 s ALA 127 Ca -0.10 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 1bs3 s ALA 127 Cb -0.08 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.20 1bs3 s ALA 127 CO -0.01 0.29 0.02 0.45 0.00 0.00 0.00 175.76 176.50 1bs3 s SER 128 N 0.04 0.03 -0.33 0.00 0.15 0.19 -1.15 113.70 112.64 1bs3 s SER 128 Ca 0.05 0.02 -0.11 0.00 0.70 0.00 0.00 55.95 56.62 1bs3 s SER 128 Cb -0.12 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.15 1bs3 s SER 128 CO 0.01 -0.06 0.19 -0.22 1.20 0.00 0.00 173.24 174.36 1bs3 s LEU 129 N 0.52 4.32 0.25 3.45 2.96 0.76 0.09 118.68 131.03 1bs3 s LEU 129 Ca -0.04 -0.52 0.08 0.00 -0.22 0.00 0.00 54.13 53.43 1bs3 s LEU 129 Cb -0.06 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 1bs3 s LEU 129 CO -0.01 -0.22 -0.11 0.68 -1.32 0.00 0.00 176.35 175.36 1bs3 s VAL 130 N 1.65 1.81 -0.22 1.68 -7.23 -0.08 -0.36 120.40 117.65 1bs3 s VAL 130 Ca 0.05 -2.20 -0.13 0.00 -1.81 0.00 0.00 61.98 57.89 1bs3 s VAL 130 Cb -0.17 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 1bs3 s VAL 130 CO 0.08 -0.44 0.26 0.86 -0.31 0.00 0.00 175.10 175.55 1bs3 s TRP 131 N -2.92 3.35 -0.47 2.82 -0.11 0.27 -1.46 118.94 120.43 1bs3 s TRP 131 Ca 0.27 0.41 -0.16 0.00 1.22 0.00 0.00 56.10 57.83 1bs3 s TRP 131 Cb 0.01 -2.36 0.06 0.00 -1.50 0.00 0.00 33.47 29.68 1bs3 s TRP 131 CO 0.10 0.07 0.43 0.34 -4.62 0.00 0.00 176.95 173.26 1bs3 s ASP 132 N 0.96 6.16 0.39 5.86 2.15 0.68 -2.11 116.67 130.76 1bs3 s ASP 132 Ca 0.13 -1.20 0.07 0.00 0.43 0.00 0.00 52.55 51.98 1bs3 s ASP 132 Cb -0.14 -2.20 0.80 0.00 -0.30 0.00 0.00 42.92 41.08 1bs3 s ASP 132 CO 0.05 -0.67 1.99 -0.65 -0.17 0.00 0.00 175.17 175.72 1bs3 h PRO 133 N 8.78 0.45 -0.01 4.34 0.11 -1.80 0.46 132.00 144.33 1bs3 h PRO 133 Ca -0.28 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.64 1bs3 h PRO 133 Cb 1.11 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.14 1bs3 h PRO 133 CO 0.88 0.40 -0.50 1.25 -0.21 0.00 0.00 178.00 179.81 1bs3 h LEU 134 N 0.45 0.46 0.00 2.35 5.85 -1.93 -3.30 115.31 119.20 1bs3 h LEU 134 Ca 0.11 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1bs3 h LEU 134 Cb 0.13 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1bs3 h LEU 134 CO -0.01 1.15 -0.44 0.61 -0.34 0.00 0.00 178.44 179.41 1bs3 n GLY 135 N 1.01 -1.32 3.50 3.75 0.00 -1.15 -4.96 105.19 106.02 1bs3 n GLY 135 Ca -0.10 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.60 -3.47 -3.94 1.61 4.76 0.16 -4.99 118.16 110.69 1bs3 n LYS 136 Ca 0.05 0.71 -0.08 0.00 -2.87 0.00 0.00 58.31 56.12 1bs3 n LYS 136 Cb 0.35 -5.29 -0.04 0.00 -1.84 0.00 0.00 35.03 28.21 1bs3 n LYS 136 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1bs3 s ARG 137 N -5.32 1.66 -0.20 1.97 1.70 -1.02 -4.99 118.95 112.75 1bs3 s ARG 137 Ca 0.26 -1.15 -0.08 0.00 -0.47 0.00 0.00 55.73 54.30 1bs3 s ARG 137 Cb -0.06 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 1bs3 s ARG 137 CO 0.78 -0.73 0.07 0.42 -1.08 0.00 0.00 175.30 174.77 1bs3 s ILE 138 N -3.94 4.70 0.27 4.99 1.01 -1.26 -0.23 121.20 126.74 1bs3 s ILE 138 Ca 0.18 -0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.82 1bs3 s ILE 138 Cb -0.03 -3.14 -0.06 0.00 0.01 0.00 0.00 42.46 39.24 1bs3 s ILE 138 CO 0.08 0.42 -0.03 0.20 0.00 0.00 0.00 174.94 175.62 1bs3 s ASN 139 N 0.71 2.42 -0.08 3.58 0.01 -0.53 -4.91 114.94 116.13 1bs3 s ASN 139 Ca 0.04 -1.22 -0.01 0.00 -0.71 0.00 0.00 52.86 50.96 1bs3 s ASN 139 Cb -0.13 -0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.39 1bs3 s ASN 139 CO 0.02 -0.42 -0.03 0.42 -1.51 0.00 0.00 177.10 175.58 1bs3 s THR 140 N -3.17 4.06 0.10 1.60 -4.23 -1.26 -0.90 115.64 111.84 1bs3 s THR 140 Ca 0.30 -0.34 0.06 0.00 -1.18 0.00 0.00 61.69 60.53 1bs3 s THR 140 Cb 0.05 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.16 1bs3 s THR 140 CO 0.11 0.60 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.87 1bs3 s LEU 141 N -0.78 2.33 -0.38 4.79 1.43 0.11 -4.97 118.68 121.22 1bs3 s LEU 141 Ca 0.12 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1bs3 s LEU 141 Cb -0.11 -0.62 0.11 0.00 0.03 0.00 0.00 46.19 45.59 1bs3 s LEU 141 CO 0.02 -0.07 0.14 -1.58 0.23 0.00 0.00 176.35 175.09 1bs3 s GLN 142 N -2.16 1.78 0.33 1.70 0.74 -1.26 -0.64 119.66 120.16 1bs3 s GLN 142 Ca 0.04 -1.84 -0.27 0.00 0.05 0.00 0.00 55.36 53.34 1bs3 s GLN 142 Cb -0.08 -3.42 -0.09 0.00 1.10 0.00 0.00 33.01 30.51 1bs3 s GLN 142 CO 0.03 -1.02 1.03 -0.06 -0.55 0.00 0.00 175.29 174.73 1bs3 s PHE 143 N 1.04 3.52 -0.14 1.67 0.08 -0.01 -4.71 117.98 119.43 1bs3 s PHE 143 Ca 0.09 1.72 -0.05 0.00 0.12 0.00 0.00 56.93 58.81 1bs3 s PHE 143 Cb -0.21 -3.12 -0.04 0.00 -0.57 0.00 0.00 43.02 39.08 1bs3 s PHE 143 CO -0.06 -0.33 0.05 0.71 -0.10 0.00 0.00 175.22 175.50 1bs3 s TYR 144 N -1.45 3.29 0.00 0.36 2.02 -0.33 -1.37 117.35 119.85 1bs3 s TYR 144 Ca 0.51 0.19 0.00 0.00 -0.37 0.00 0.00 57.07 57.40 1bs3 s TYR 144 Cb -0.25 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 1bs3 s TYR 144 CO 0.31 0.37 0.00 -0.25 -1.57 0.00 0.00 175.55 174.41 1bs3 n ASP 145 N 2.78 0.00 0.00 2.29 8.00 0.27 -1.98 116.55 127.91 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 13.74 0.00 -0.28 1.24 8.25 -1.26 -4.07 115.22 132.84 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 -1.76 2.78 -4.39 -0.41 0.00 -1.22 -4.75 117.38 107.63 1bs3 n GLN 147 Ca 0.00 -1.97 -0.25 0.00 0.00 0.00 0.00 57.00 54.78 1bs3 n GLN 147 Cb 0.42 -1.25 -0.10 0.00 0.00 0.00 0.00 30.24 29.31 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 -1.28 3.83 -0.66 2.61 0.01 -0.83 -4.80 114.94 113.81 1bs3 s ASN 148 Ca 0.17 -0.83 -0.02 0.00 -0.71 0.00 0.00 52.86 51.47 1bs3 s ASN 148 Cb 0.11 -0.46 0.00 0.00 0.41 0.00 0.00 41.25 41.32 1bs3 s ASN 148 CO 0.08 0.07 0.56 -3.20 -1.51 0.00 0.00 177.10 173.10 1bs3 n ASN 149 N -0.27 -2.85 -3.70 -1.22 5.15 -1.26 -1.19 115.26 109.91 1bs3 n ASN 149 Ca -0.09 -0.31 -0.14 0.00 -0.60 0.00 0.00 54.58 53.44 1bs3 n ASN 149 Cb 0.58 -2.93 -0.09 0.00 -0.53 0.00 0.00 39.78 36.81 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 -4.31 0.32 0.42 1.20 2.34 -1.26 -4.48 118.68 112.90 1bs3 s LEU 150 Ca 0.11 0.62 -0.22 0.00 0.06 0.00 0.00 54.13 54.70 1bs3 s LEU 150 Cb -0.05 1.60 -0.10 0.00 -0.56 0.00 0.00 46.19 47.08 1bs3 s LEU 150 CO 0.39 -0.32 0.97 -2.84 -1.06 0.00 0.00 176.35 173.49 1bs3 s PRO 151 N -0.48 4.22 0.55 1.48 0.02 -1.26 -5.02 135.00 134.50 1bs3 s PRO 151 Ca -0.06 1.23 -0.20 0.00 0.02 0.00 0.00 61.00 61.99 1bs3 s PRO 151 Cb -0.03 -2.31 -0.05 0.00 0.02 0.00 0.00 34.50 32.13 1bs3 s PRO 151 CO 0.03 -0.05 1.22 0.00 -0.33 0.00 0.00 177.00 177.87 1bs3 s ALA 152 N -2.00 2.70 0.00 -1.55 0.00 -1.26 -2.89 121.76 116.77 1bs3 s ALA 152 Ca 0.60 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1bs3 s ALA 152 Cb -0.13 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1bs3 s ALA 152 CO 0.17 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1bs3 n GLY 153 N 0.50 1.49 3.71 0.00 0.00 -1.26 -5.02 105.19 104.61 1bs3 n GLY 153 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.12 6.66 -0.32 1.61 0.01 -1.14 -4.57 113.70 112.82 1bs3 s SER 154 Ca 0.00 2.50 -0.09 0.00 1.31 0.00 0.00 55.95 59.67 1bs3 s SER 154 Cb 0.00 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.65 1bs3 s SER 154 CO 0.00 -0.79 0.14 -0.63 0.41 0.00 0.00 173.24 172.37 1bs3 s ILE 155 N 1.48 4.38 0.24 1.44 1.01 -0.90 -4.94 121.20 123.91 1bs3 s ILE 155 Ca 0.69 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1bs3 s ILE 155 Cb -0.41 -3.31 -0.10 0.00 0.01 0.00 0.00 42.46 38.66 1bs3 s ILE 155 CO 0.31 -0.02 1.40 -2.16 0.00 0.00 0.00 174.94 174.47 1bs3 s PRO 156 N 1.56 4.30 -0.09 2.79 0.04 -1.26 -0.56 135.00 141.77 1bs3 s PRO 156 Ca 0.03 2.23 -0.01 0.00 0.04 0.00 0.00 61.00 63.29 1bs3 s PRO 156 Cb -0.18 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 1bs3 s PRO 156 CO 0.05 -0.36 -0.10 1.28 0.04 0.00 0.00 177.00 177.91 1bs3 n LEU 157 N 2.34 2.11 -3.72 -3.56 4.77 0.51 -4.90 117.00 114.55 1bs3 n LEU 157 Ca 0.06 0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 1bs3 n LEU 157 Cb 0.41 -0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 1bs3 n LEU 157 CO 0.60 0.48 -0.20 -0.22 -1.33 0.00 0.00 177.39 176.72 1bs3 s LEU 158 N -5.92 0.43 0.04 2.23 2.96 -0.95 -4.53 118.68 112.94 1bs3 s LEU 158 Ca -0.13 0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 1bs3 s LEU 158 Cb 0.04 0.46 -0.02 0.00 0.50 0.00 0.00 46.19 47.17 1bs3 s LEU 158 CO 0.20 -0.18 -0.11 -1.10 -1.32 0.00 0.00 176.35 173.84 1bs3 s GLN 159 N 1.48 0.75 -0.14 1.98 -0.21 -1.26 -0.17 119.66 122.09 1bs3 s GLN 159 Ca -0.06 -0.69 -0.00 0.00 0.02 0.00 0.00 55.36 54.63 1bs3 s GLN 159 Cb -0.11 -0.69 0.03 0.00 1.00 0.00 0.00 33.01 33.23 1bs3 s GLN 159 CO -0.07 0.17 -0.10 -1.17 -2.12 0.00 0.00 175.29 172.00 1bs3 s LEU 160 N -1.14 1.52 -0.23 2.90 2.96 -0.30 -4.76 118.68 119.64 1bs3 s LEU 160 Ca -0.02 -0.47 -0.29 0.00 -0.22 0.00 0.00 54.13 53.13 1bs3 s LEU 160 Cb -0.08 -1.01 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 1bs3 s LEU 160 CO 0.01 -0.11 1.44 -0.62 -1.32 0.00 0.00 176.35 175.75 1bs3 s ASP 161 N 1.59 6.61 -0.11 3.68 -1.08 -1.26 -1.97 116.67 124.14 1bs3 s ASP 161 Ca 0.04 1.53 0.16 0.00 -0.52 0.00 0.00 52.55 53.75 1bs3 s ASP 161 Cb -0.13 -2.54 0.55 0.00 -1.46 0.00 0.00 42.92 39.34 1bs3 s ASP 161 CO -0.09 -1.07 1.47 0.23 0.52 0.00 0.00 175.17 176.22 1bs3 n MET 162 N 7.30 3.29 -2.36 4.34 2.81 0.06 -4.83 117.12 127.73 1bs3 n MET 162 Ca 0.16 -2.65 -0.36 0.00 -1.81 0.00 0.00 57.70 53.04 1bs3 n MET 162 Cb 0.45 -1.72 -0.02 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.95 2.95 0.50 2.03 0.52 -1.21 -4.30 118.94 117.48 1bs3 s TRP 163 Ca 0.41 1.57 0.17 0.00 0.02 0.00 0.00 56.10 58.27 1bs3 s TRP 163 Cb 0.28 -3.27 1.22 0.00 -1.15 0.00 0.00 33.47 30.55 1bs3 s TRP 163 CO 0.17 -1.23 2.07 0.93 0.02 0.00 0.00 176.95 178.92 1bs3 h GLU 164 N 1.97 0.12 0.00 4.98 5.08 -1.93 -1.32 114.58 123.48 1bs3 h GLU 164 Ca -0.49 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1bs3 h GLU 164 Cb 1.24 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1bs3 h GLU 164 CO 0.60 0.08 -0.00 1.12 -1.00 0.00 0.00 179.01 179.81 1bs3 h HIS 165 N 0.12 0.00 0.00 4.33 2.07 -1.98 0.84 115.15 120.53 1bs3 h HIS 165 Ca 0.13 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.62 1bs3 h HIS 165 Cb 0.35 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.33 1bs3 h HIS 165 CO -0.00 0.00 -0.10 0.00 -3.07 0.00 0.00 177.93 174.76 1bs3 h ALA 166 N 2.00 0.95 0.00 6.11 0.00 -1.56 -3.41 119.26 123.36 1bs3 h ALA 166 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bs3 h ALA 166 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1bs3 h ALA 166 CO 0.00 0.13 -0.05 1.97 0.00 0.00 0.00 179.25 181.30 1bs3 n PHE 167 N -3.15 0.00 -0.22 0.00 1.16 -0.87 -4.95 117.46 109.42 1bs3 n PHE 167 Ca 0.02 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.63 1bs3 n PHE 167 Cb 0.49 0.00 0.14 0.00 -1.61 0.00 0.00 39.48 38.50 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 0.27 -0.06 2.97 3.20 -1.05 0.10 116.97 122.41 1bs3 h TYR 168 Ca 0.00 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1bs3 h TYR 168 Cb 0.00 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 1bs3 h TYR 168 CO 0.00 -0.02 0.06 -0.07 -1.64 0.00 0.00 178.16 176.49 1bs3 h LEU 169 N 0.30 0.00 0.00 2.82 3.38 -1.87 -0.97 115.31 118.97 1bs3 h LEU 169 Ca 0.35 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.09 1bs3 h LEU 169 Cb 0.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1bs3 h LEU 169 CO -0.43 0.00 -1.83 1.67 0.09 0.00 0.00 178.44 177.94 1bs3 n GLN 170 N -3.92 0.34 0.00 1.13 7.27 -0.84 -4.75 117.38 116.62 1bs3 n GLN 170 Ca -0.02 0.11 0.10 0.00 0.07 0.00 0.00 57.00 57.26 1bs3 n GLN 170 Cb 0.16 -1.18 0.01 0.00 2.41 0.00 0.00 30.24 31.64 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 -3.26 0.00 -1.41 3.69 4.01 0.29 -5.06 117.16 115.42 1bs3 n TYR 171 Ca -0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 1bs3 n TYR 171 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.77 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 0.19 0.00 0.09 -0.72 4.01 -0.37 -1.80 118.16 119.57 1bs3 n LYS 172 Ca 0.09 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 58.02 1bs3 n LYS 172 Cb 0.44 0.00 0.44 0.00 -0.51 0.00 0.00 35.03 35.40 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 3.07 0.69 -4.17 4.39 6.94 -1.26 -4.33 115.26 120.59 1bs3 n ASN 173 Ca 0.00 0.57 -0.41 0.00 -0.02 0.00 0.00 54.58 54.72 1bs3 n ASN 173 Cb 0.00 -0.76 -0.01 0.00 -2.36 0.00 0.00 39.78 36.65 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 -2.16 3.34 0.28 3.53 0.31 -0.74 -4.75 118.33 118.14 1bs3 n VAL 174 Ca 0.05 -3.23 0.12 0.00 -0.01 0.00 0.00 64.34 61.27 1bs3 n VAL 174 Cb 0.40 -2.42 0.79 0.00 -0.91 0.00 0.00 33.84 31.70 1bs3 n VAL 174 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1bs3 h LYS 175 N 7.25 0.00 -0.78 5.55 2.10 -1.83 -2.28 116.57 126.59 1bs3 h LYS 175 Ca 0.47 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.08 1bs3 h LYS 175 Cb 0.77 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.07 1bs3 h LYS 175 CO 1.64 0.01 0.32 0.78 -2.00 0.00 0.00 179.45 180.21 1bs3 h GLY 176 N 0.06 1.24 1.40 0.07 0.00 -1.97 -1.91 103.07 101.97 1bs3 h GLY 176 Ca -0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 46.56 1bs3 h GLY 176 CO 0.00 0.63 -0.21 -0.55 0.00 0.00 0.00 176.54 176.41 1bs3 h ASP 177 N 1.12 0.70 -0.25 0.19 3.32 -1.80 -1.77 116.42 117.94 1bs3 h ASP 177 Ca 0.26 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1bs3 h ASP 177 Cb 0.20 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1bs3 h ASP 177 CO -0.02 0.90 0.11 0.22 -1.72 0.00 0.00 179.24 178.72 1bs3 h TYR 178 N 0.61 0.37 -0.55 4.55 3.20 -1.45 -1.13 116.97 122.57 1bs3 h TYR 178 Ca 0.09 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 1bs3 h TYR 178 Cb 0.68 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1bs3 h TYR 178 CO 0.03 0.37 0.19 0.28 -1.64 0.00 0.00 178.16 177.39 1bs3 h VAL 179 N 0.26 1.23 -0.68 1.81 2.07 -1.23 0.04 116.25 119.75 1bs3 h VAL 179 Ca 0.08 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1bs3 h VAL 179 Cb 0.15 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1bs3 h VAL 179 CO -0.01 0.28 0.42 0.50 0.02 0.00 0.00 177.57 178.79 1bs3 h LYS 180 N 0.76 0.91 -0.34 1.57 3.11 -1.21 -2.61 116.57 118.76 1bs3 h LYS 180 Ca 0.18 -0.07 -0.16 0.00 -2.81 0.00 0.00 60.65 57.78 1bs3 h LYS 180 Cb 0.24 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.27 1bs3 h LYS 180 CO -0.01 0.63 -0.43 0.77 -2.81 0.00 0.00 179.45 177.60 1bs3 h SER 181 N 0.92 0.94 -0.64 4.20 0.02 -0.96 -3.23 113.55 114.79 1bs3 h SER 181 Ca 0.24 -0.45 0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1bs3 h SER 181 Cb -0.06 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.18 1bs3 h SER 181 CO -0.05 1.23 0.42 -0.25 -1.14 0.00 0.00 176.83 177.04 1bs3 h TRP 182 N 0.70 0.67 -0.37 3.45 7.01 -0.62 -2.06 115.95 124.73 1bs3 h TRP 182 Ca 0.05 0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.17 1bs3 h TRP 182 Cb 1.02 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.84 1bs3 h TRP 182 CO 0.06 0.37 0.27 -1.49 -2.79 0.00 0.00 178.44 174.86 1bs3 h TRP 183 N 0.68 0.00 0.00 2.65 4.06 -1.52 -1.20 115.95 120.62 1bs3 h TRP 183 Ca 0.27 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.17 1bs3 h TRP 183 Cb 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 1bs3 h TRP 183 CO -0.00 0.00 -0.21 -0.91 -3.56 0.00 0.00 178.44 173.76 1bs3 h ASN 184 N 0.00 0.00 -0.52 -3.49 2.35 -1.55 -3.06 115.58 109.31 1bs3 h ASN 184 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1bs3 h ASN 184 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1bs3 h ASN 184 CO -0.00 0.21 0.00 1.33 -1.65 0.00 0.00 177.43 177.32 1bs3 n VAL 185 N -3.78 1.38 -2.26 2.81 0.24 -0.46 -4.43 118.33 111.83 1bs3 n VAL 185 Ca -0.02 -1.16 -0.42 0.00 -2.04 0.00 0.00 64.34 60.70 1bs3 n VAL 185 Cb 0.31 0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 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 -1.45 3.78 -1.04 3.34 1.01 -1.16 -0.96 120.40 123.92 1bs3 s VAL 186 Ca 0.40 1.17 -0.18 0.00 0.00 0.00 0.00 61.98 63.36 1bs3 s VAL 186 Cb 0.24 -3.75 0.12 0.00 0.00 0.00 0.00 36.38 32.99 1bs3 s VAL 186 CO 0.22 0.00 1.30 0.21 0.00 0.00 0.00 175.10 176.83 1bs3 s ASN 187 N 1.78 6.73 0.44 3.32 3.04 0.83 -4.78 114.94 126.31 1bs3 s ASN 187 Ca 0.63 -2.21 0.30 0.00 0.04 0.00 0.00 52.86 51.62 1bs3 s ASN 187 Cb -0.31 -2.44 1.58 0.00 -1.54 0.00 0.00 41.25 38.54 1bs3 s ASN 187 CO 0.26 -1.07 1.92 -0.50 -3.04 0.00 0.00 177.10 174.68 1bs3 h TRP 188 N 8.48 0.00 -0.19 0.43 4.06 -1.85 -1.44 115.95 125.45 1bs3 h TRP 188 Ca 0.23 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.96 1bs3 h TRP 188 Cb 0.97 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.14 1bs3 h TRP 188 CO 1.19 0.00 -0.72 -0.44 -3.56 0.00 0.00 178.44 174.91 1bs3 h ASP 189 N 0.00 0.94 -0.45 -3.49 3.32 -1.89 -1.25 116.42 113.61 1bs3 h ASP 189 Ca 0.00 -0.59 -0.09 0.00 0.02 0.00 0.00 57.03 56.37 1bs3 h ASP 189 Cb 0.07 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1bs3 h ASP 189 CO 0.00 1.39 -0.08 -0.78 -1.72 0.00 0.00 179.24 178.05 1bs3 h ASP 190 N 0.57 0.84 -0.73 6.45 3.58 -1.55 -1.65 116.42 123.93 1bs3 h ASP 190 Ca -0.03 -0.35 -0.06 0.00 0.42 0.00 0.00 57.03 57.01 1bs3 h ASP 190 Cb 1.34 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 42.13 1bs3 h ASP 190 CO 0.15 0.99 0.23 0.58 -2.88 0.00 0.00 179.24 178.31 1bs3 h VAL 191 N 0.68 1.26 -0.78 2.25 2.07 -1.48 -1.61 116.25 118.64 1bs3 h VAL 191 Ca 0.12 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 1bs3 h VAL 191 Cb 0.61 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1bs3 h VAL 191 CO 0.04 0.35 0.38 0.00 0.02 0.00 0.00 177.57 178.36 1bs3 h ALA 192 N 1.16 1.00 -0.15 1.67 0.00 -0.99 -1.07 119.26 120.87 1bs3 h ALA 192 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1bs3 h ALA 192 Cb 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1bs3 h ALA 192 CO -0.01 0.56 0.05 1.25 0.00 0.00 0.00 179.25 181.10 1bs3 h LEU 193 N 1.09 0.22 -1.07 0.00 5.85 -0.90 -1.61 115.31 118.89 1bs3 h LEU 193 Ca 0.27 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1bs3 h LEU 193 Cb 0.11 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1bs3 h LEU 193 CO -0.03 0.36 0.62 0.03 -0.34 0.00 0.00 178.44 179.08 1bs3 h ARG 194 N 0.07 1.13 -0.43 1.25 3.08 -1.05 -1.69 114.38 116.74 1bs3 h ARG 194 Ca 0.05 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1bs3 h ARG 194 Cb 0.21 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1bs3 h ARG 194 CO -0.00 0.75 0.10 0.35 -1.07 0.00 0.00 179.97 180.09 1bs3 h PHE 195 N 1.16 0.73 -0.89 3.04 3.57 -0.92 0.43 116.94 124.07 1bs3 h PHE 195 Ca 0.39 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1bs3 h PHE 195 Cb 0.08 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 1bs3 h PHE 195 CO -0.00 0.68 0.58 0.77 -2.23 0.00 0.00 178.31 178.11 1bs3 h SER 196 N 0.56 1.04 1.08 0.41 0.02 -0.57 -2.23 113.55 113.86 1bs3 h SER 196 Ca 0.13 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 1bs3 h SER 196 Cb 0.33 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1bs3 h SER 196 CO 0.00 0.77 -0.97 -0.33 -1.14 0.00 0.00 176.83 175.16 1bs3 h GLU 197 N 1.21 0.00 -0.10 3.45 5.08 -1.17 -3.37 114.58 119.69 1bs3 h GLU 197 Ca 0.32 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.45 1bs3 h GLU 197 Cb -0.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.15 1bs3 h GLU 197 CO -0.07 0.44 -0.87 0.00 -1.00 0.00 0.00 179.01 177.51 1bs3 h ALA 198 N 1.42 0.26 0.00 3.43 0.00 0.11 -3.31 119.26 121.17 1bs3 h ALA 198 Ca -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1bs3 h ALA 198 Cb 1.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1bs3 h ALA 198 CO 0.06 0.69 0.00 2.89 0.00 0.00 0.00 179.25 182.89 1bs3 n ARG 199 N -3.90 0.54 -0.39 0.00 1.85 -0.86 -3.15 116.66 110.76 1bs3 n ARG 199 Ca -0.09 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.83 1bs3 n ARG 199 Cb 0.80 -1.11 0.23 0.00 -1.05 0.00 0.00 32.46 31.32 1bs3 n ARG 199 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1bs3 n VAL 200 N -0.19 1.13 -1.89 8.89 0.31 -1.25 -5.12 118.33 120.21 1bs3 n VAL 200 Ca 0.00 -0.74 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 1bs3 n VAL 200 Cb 0.06 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 1bs3 n VAL 200 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51