#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nuj s PRO 4 N 0.00 1.89 0.56 3.23 0.04 -1.26 -5.03 135.00 134.43 2nuj s PRO 4 Ca 0.00 0.11 -0.20 0.00 0.04 0.00 0.00 61.00 60.95 2nuj s PRO 4 Cb 0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2nuj s PRO 4 CO 0.00 -1.65 1.23 -1.25 0.04 0.00 0.00 177.00 175.37 2nuj s PRO 5 N -5.57 3.13 0.49 0.56 0.04 -1.26 -5.03 135.00 127.37 2nuj s PRO 5 Ca 0.62 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 63.43 2nuj s PRO 5 Cb -0.11 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 2nuj s PRO 5 CO 0.49 -1.09 0.90 0.71 0.04 0.00 0.00 177.00 178.05 2nuj s TYR 6 N -1.53 3.50 -1.54 0.56 2.02 -1.26 -4.39 117.35 114.71 2nuj s TYR 6 Ca 0.74 1.24 -0.03 0.00 -0.37 0.00 0.00 57.07 58.65 2nuj s TYR 6 Cb -0.32 -2.62 0.01 0.00 -0.40 0.00 0.00 41.96 38.63 2nuj s TYR 6 CO 0.36 -0.33 0.28 0.72 -1.57 0.00 0.00 175.55 175.00 2nuj n HIS 7 N -1.76 -1.51 -3.84 2.71 8.25 -0.78 -4.92 115.22 113.37 2nuj n HIS 7 Ca 0.05 0.24 -0.21 0.00 -0.26 0.00 0.00 57.72 57.54 2nuj n HIS 7 Cb 0.54 -3.88 -0.17 0.00 1.12 0.00 0.00 29.99 27.60 2nuj n HIS 7 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2nuj s THR 8 N -3.01 0.32 0.08 1.59 2.01 -1.26 -5.02 115.64 110.35 2nuj s THR 8 Ca 0.15 0.11 -0.34 0.00 0.31 0.00 0.00 61.69 61.93 2nuj s THR 8 Cb -0.07 -0.45 -0.13 0.00 0.01 0.00 0.00 72.50 71.85 2nuj s THR 8 CO 0.19 0.23 1.66 -2.65 -0.69 0.00 0.00 174.62 173.36 2nuj n PRO 9 N 4.83 2.13 -3.83 4.92 -0.02 -1.26 -4.55 135.00 137.23 2nuj n PRO 9 Ca -0.12 0.77 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 2nuj n PRO 9 Cb 0.50 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.31 2nuj n PRO 9 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nuj s LEU 10 N 1.84 3.67 0.81 2.45 1.43 0.27 -4.94 118.68 124.21 2nuj s LEU 10 Ca 0.83 -0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.76 2nuj s LEU 10 Cb -0.69 -1.97 0.12 0.00 0.03 0.00 0.00 46.19 43.68 2nuj s LEU 10 CO 0.42 0.04 1.14 -2.16 0.23 0.00 0.00 176.35 176.02 2nuj s PRO 11 N 1.19 1.58 0.28 1.29 0.04 -1.26 -1.53 135.00 136.58 2nuj s PRO 11 Ca 0.05 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 60.73 2nuj s PRO 11 Cb -0.14 -2.05 0.53 0.00 0.04 0.00 0.00 34.50 32.88 2nuj s PRO 11 CO 0.04 -1.71 1.83 0.00 0.04 0.00 0.00 177.00 177.20 2nuj h ALA 12 N -1.00 1.46 -0.57 8.56 0.00 -1.81 -0.43 119.26 125.47 2nuj h ALA 12 Ca -0.43 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.58 2nuj h ALA 12 Cb 1.29 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2nuj h ALA 12 CO 0.51 0.20 0.23 0.93 0.00 0.00 0.00 179.25 181.12 2nuj h GLU 13 N 0.95 0.42 -0.28 0.00 3.07 -1.93 0.03 114.58 116.85 2nuj h GLU 13 Ca 0.48 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 59.20 2nuj h GLU 13 Cb 0.48 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2nuj h GLU 13 CO -0.27 0.28 -0.29 1.15 -1.40 0.00 0.00 179.01 178.48 2nuj h THR 14 N 0.43 1.30 -0.21 1.13 2.02 -1.47 -2.34 112.91 113.78 2nuj h THR 14 Ca 0.27 -1.46 0.04 0.00 0.77 0.00 0.00 66.41 66.04 2nuj h THR 14 Cb 0.29 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 2nuj h THR 14 CO -0.25 0.46 -0.04 -0.07 0.37 0.00 0.00 175.52 175.99 2nuj h LEU 15 N 0.43 -0.17 -1.00 2.58 3.38 -0.89 -1.25 115.31 118.40 2nuj h LEU 15 Ca 0.04 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2nuj h LEU 15 Cb 0.86 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 2nuj h LEU 15 CO 0.07 -0.06 0.65 0.03 0.09 0.00 0.00 178.44 179.23 2nuj h ARG 16 N 0.01 1.31 -0.15 1.13 2.47 -0.93 0.16 114.38 118.39 2nuj h ARG 16 Ca 0.10 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2nuj h ARG 16 Cb 0.15 -0.29 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 2nuj h ARG 16 CO -0.21 0.87 0.05 0.00 0.56 0.00 0.00 179.97 181.25 2nuj h ALA 17 N 1.36 1.80 -0.17 0.04 0.00 -1.05 -0.10 119.26 121.14 2nuj h ALA 17 Ca 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2nuj h ALA 17 Cb -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2nuj h ALA 17 CO -0.08 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.61 2nuj n LEU 18 N -4.46 1.08 -0.77 0.00 4.77 0.34 -4.91 117.00 113.06 2nuj n LEU 18 Ca -0.01 -0.51 -0.10 0.00 -0.03 0.00 0.00 56.01 55.36 2nuj n LEU 18 Cb 0.12 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 2nuj n LEU 18 CO 0.35 0.26 -0.10 -1.20 -1.33 0.00 0.00 177.39 175.37 2nuj n SER 19 N 0.03 -4.32 -4.60 -1.43 7.64 -0.05 -4.87 113.62 106.02 2nuj n SER 19 Ca 0.10 0.25 -0.41 0.00 1.01 0.00 0.00 58.87 59.82 2nuj n SER 19 Cb 0.20 -2.71 -0.07 0.00 -1.01 0.00 0.00 64.21 60.62 2nuj n SER 19 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2nuj s ILE 20 N -2.34 4.96 0.75 0.44 1.01 -0.03 -4.96 121.20 121.03 2nuj s ILE 20 Ca 0.00 0.83 -0.09 0.00 0.00 0.00 0.00 60.65 61.39 2nuj s ILE 20 Cb 0.00 -3.98 0.07 0.00 0.01 0.00 0.00 42.46 38.57 2nuj s ILE 20 CO 0.00 -0.12 1.09 -2.16 0.00 0.00 0.00 174.94 173.75 2nuj s PRO 21 N 2.56 2.05 0.71 2.79 0.04 -1.26 -3.28 135.00 138.61 2nuj s PRO 21 Ca 0.24 -0.13 -0.16 0.00 0.04 0.00 0.00 61.00 60.99 2nuj s PRO 21 Cb -0.15 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.33 2nuj s PRO 21 CO 0.11 -1.42 1.21 0.00 0.04 0.00 0.00 177.00 176.95 2nuj n ALA 22 N -3.10 0.56 1.45 8.56 0.00 -1.26 -2.83 120.51 123.89 2nuj n ALA 22 Ca 0.08 -0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.42 2nuj n ALA 22 Cb 0.61 -2.26 0.07 0.00 0.00 0.00 0.00 19.45 17.86 2nuj n ALA 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2nuj n PRO 23 N -2.28 1.40 -2.45 0.00 -0.04 -1.26 -5.12 135.00 125.24 2nuj n PRO 23 Ca 0.15 -0.59 -0.42 0.00 -0.04 0.00 0.00 63.50 62.60 2nuj n PRO 23 Cb 0.49 -1.14 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 2nuj n PRO 23 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2nuj s TRP 24 N -1.77 3.48 0.00 0.54 0.52 -1.13 -4.91 118.94 115.67 2nuj s TRP 24 Ca 0.11 1.38 0.00 0.00 0.02 0.00 0.00 56.10 57.61 2nuj s TRP 24 Cb 0.06 -3.38 0.00 0.00 -1.15 0.00 0.00 33.47 29.00 2nuj s TRP 24 CO 0.07 -1.09 0.03 0.25 0.02 0.00 0.00 176.95 176.24 2nuj n THR 25 N 3.54 0.00 -3.60 2.01 -2.24 -1.26 -4.68 114.28 108.05 2nuj n THR 25 Ca 0.07 -0.31 -0.16 0.00 -2.27 0.00 0.00 64.05 61.37 2nuj n THR 25 Cb 0.46 1.04 -0.14 0.00 -2.10 0.00 0.00 70.33 69.59 2nuj n THR 25 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2nuj s PHE 26 N -0.56 -0.29 0.21 4.78 2.19 -1.25 -3.02 117.98 120.05 2nuj s PHE 26 Ca 0.00 0.57 0.07 0.00 0.33 0.00 0.00 56.93 57.91 2nuj s PHE 26 Cb 0.00 -0.23 -0.05 0.00 -1.31 0.00 0.00 43.02 41.43 2nuj s PHE 26 CO 0.00 -0.42 -0.13 0.20 1.83 0.00 0.00 175.22 176.70 2nuj s GLY 27 N 2.34 1.46 -0.01 13.12 0.00 -0.59 -3.03 107.32 120.62 2nuj s GLY 27 Ca 0.04 -1.69 0.01 0.00 0.00 0.00 0.00 44.72 43.08 2nuj s GLY 27 CO -0.09 -1.76 -0.01 1.08 0.00 0.00 0.00 173.10 172.32 2nuj s LEU 28 N -3.33 1.60 0.01 0.66 1.43 0.90 -0.57 118.68 119.38 2nuj s LEU 28 Ca 0.23 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 2nuj s LEU 28 Cb -0.00 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 2nuj s LEU 28 CO 0.07 -0.03 0.12 0.00 0.23 0.00 0.00 176.35 176.74 2nuj s ALA 29 N 0.46 3.72 0.27 4.21 0.00 -1.26 -0.35 121.76 128.82 2nuj s ALA 29 Ca -0.04 -0.85 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 2nuj s ALA 29 Cb -0.07 -1.68 0.03 0.00 0.00 0.00 0.00 23.12 21.40 2nuj s ALA 29 CO -0.01 0.72 0.48 -3.47 0.00 0.00 0.00 175.76 173.49 2nuj n ASP 30 N 0.99 -1.39 -3.74 0.00 -0.08 -0.62 -1.86 116.55 109.85 2nuj n ASP 30 Ca -0.11 -2.21 -0.14 0.00 -1.51 0.00 0.00 54.79 50.81 2nuj n ASP 30 Cb 0.52 2.39 -0.14 0.00 2.34 0.00 0.00 41.12 46.23 2nuj n ASP 30 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2nuj s ARG 31 N -2.25 0.10 0.18 -0.67 3.52 -1.26 -1.43 118.95 117.13 2nuj s ARG 31 Ca 0.15 0.39 -0.32 0.00 -0.13 0.00 0.00 55.73 55.81 2nuj s ARG 31 Cb -0.02 -0.18 -0.16 0.00 -1.56 0.00 0.00 34.95 33.03 2nuj s ARG 31 CO 0.11 -0.17 1.13 0.28 -0.81 0.00 0.00 175.30 175.84 2nuj n VAL 32 N 4.25 0.99 -3.93 7.11 0.31 -0.55 -4.92 118.33 121.58 2nuj n VAL 32 Ca -0.26 -0.25 -0.30 0.00 -0.01 0.00 0.00 64.34 63.52 2nuj n VAL 32 Cb 0.52 -0.81 -0.04 0.00 -0.91 0.00 0.00 33.84 32.60 2nuj n VAL 32 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2nuj s ARG 33 N -0.48 3.40 0.24 5.55 0.52 -1.26 -2.97 118.95 123.95 2nuj s ARG 33 Ca 0.72 -0.50 -0.05 0.00 -0.52 0.00 0.00 55.73 55.39 2nuj s ARG 33 Cb -0.85 -3.00 0.43 0.00 0.52 0.00 0.00 34.95 32.05 2nuj s ARG 33 CO 0.53 0.59 1.73 0.35 0.02 0.00 0.00 175.30 178.52 2nuj h PHE 34 N 2.87 0.50 0.00 -0.53 3.57 -1.98 -1.26 116.94 120.11 2nuj h PHE 34 Ca -0.46 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2nuj h PHE 34 Cb 1.17 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2nuj h PHE 34 CO 0.59 0.07 0.00 0.41 -2.23 0.00 0.00 178.31 177.15 2nuj n GLY 35 N -1.32 -0.67 0.29 2.40 0.00 -1.26 -1.63 105.19 103.00 2nuj n GLY 35 Ca 0.14 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.26 2nuj n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nuj n GLU 36 N -1.46 0.90 -3.11 1.61 1.02 -0.47 -4.91 120.64 114.22 2nuj n GLU 36 Ca 0.02 -0.59 -0.39 0.00 -0.02 0.00 0.00 57.16 56.18 2nuj n GLU 36 Cb 0.07 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 29.94 2nuj n GLU 36 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2nuj s LEU 37 N -2.51 4.49 0.00 -4.62 1.43 -0.65 -0.30 118.68 116.52 2nuj s LEU 37 Ca 0.23 1.36 -0.04 0.00 -1.03 0.00 0.00 54.13 54.65 2nuj s LEU 37 Cb 0.19 -3.08 0.08 0.00 0.03 0.00 0.00 46.19 43.41 2nuj s LEU 37 CO 0.54 0.14 0.52 -0.90 0.23 0.00 0.00 176.35 176.87 2nuj n ASP 38 N 2.31 0.33 0.03 2.29 5.68 0.73 -4.84 116.55 123.08 2nuj n ASP 38 Ca -0.06 -1.37 0.04 0.00 -0.50 0.00 0.00 54.79 52.90 2nuj n ASP 38 Cb 0.50 -0.37 0.18 0.00 -1.14 0.00 0.00 41.12 40.29 2nuj n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2nuj n ALA 39 N -3.16 1.20 -0.53 2.12 0.00 -1.26 -1.34 120.51 117.54 2nuj n ALA 39 Ca -0.08 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.42 2nuj n ALA 39 Cb 0.26 -1.12 0.08 0.00 0.00 0.00 0.00 19.45 18.67 2nuj n ALA 39 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2nuj n ILE 40 N -1.64 1.45 -0.24 0.00 -5.35 -1.26 -4.99 119.36 107.33 2nuj n ILE 40 Ca 0.01 -1.61 0.00 0.00 -0.27 0.00 0.00 62.75 60.88 2nuj n ILE 40 Cb 0.06 0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 2nuj n ILE 40 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nuj n GLY 41 N -0.90 0.87 3.85 3.28 0.00 -0.45 -5.07 105.19 106.77 2nuj n GLY 41 Ca 0.08 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2nuj n GLY 41 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nuj s HIS 42 N -2.00 3.35 0.18 1.61 3.76 -1.26 -4.59 115.29 116.34 2nuj s HIS 42 Ca 0.00 0.14 -0.33 0.00 -0.15 0.00 0.00 55.06 54.72 2nuj s HIS 42 Cb 0.00 -1.67 -0.13 0.00 1.11 0.00 0.00 32.58 31.89 2nuj s HIS 42 CO 0.00 0.55 1.65 0.28 -0.85 0.00 0.00 174.74 176.37 2nuj n VAL 43 N 0.19 0.00 -1.52 -0.90 0.31 -1.26 -0.19 118.33 114.96 2nuj n VAL 43 Ca -0.07 -0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.95 2nuj n VAL 43 Cb 0.52 -1.75 0.06 0.00 -0.91 0.00 0.00 33.84 31.75 2nuj n VAL 43 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2nuj s ASN 44 N 1.05 5.25 0.49 4.52 2.20 0.59 -4.81 114.94 124.23 2nuj s ASN 44 Ca 0.77 1.65 0.26 0.00 -0.94 0.00 0.00 52.86 54.60 2nuj s ASN 44 Cb -0.60 -2.50 1.24 0.00 -2.00 0.00 0.00 41.25 37.39 2nuj s ASN 44 CO 0.35 -1.53 1.98 1.12 -2.94 0.00 0.00 177.10 176.07 2nuj h HIS 45 N -0.77 0.00 0.00 1.54 2.07 -1.91 -2.83 115.15 113.25 2nuj h HIS 45 Ca -0.44 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.01 2nuj h HIS 45 Cb 1.21 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.18 2nuj h HIS 45 CO 0.61 0.17 -0.67 1.79 -3.07 0.00 0.00 177.93 176.77 2nuj h THR 46 N 0.00 0.39 -0.43 6.12 1.35 -1.96 -3.30 112.91 115.08 2nuj h THR 46 Ca -0.00 -1.61 0.08 0.00 -0.55 0.00 0.00 66.41 64.33 2nuj h THR 46 Cb 0.49 2.05 -0.07 0.00 -1.73 0.00 0.00 68.15 68.89 2nuj h THR 46 CO 0.02 0.22 -0.00 0.00 -0.25 0.00 0.00 175.52 175.51 2nuj h ALA 47 N 1.71 0.39 -0.72 6.62 0.00 -1.84 -0.80 119.26 124.63 2nuj h ALA 47 Ca -0.04 0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.12 2nuj h ALA 47 Cb 1.25 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 2nuj h ALA 47 CO 0.03 -0.39 0.31 1.88 0.00 0.00 0.00 179.25 181.08 2nuj h TYR 48 N 0.10 0.54 -0.59 0.00 -1.99 -1.70 0.15 116.97 113.49 2nuj h TYR 48 Ca 0.21 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.91 2nuj h TYR 48 Cb 0.31 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.88 2nuj h TYR 48 CO -0.29 0.13 0.10 -0.07 -0.00 0.00 0.00 178.16 178.03 2nuj h LEU 49 N 0.50 0.90 -0.64 3.88 3.38 -1.48 -2.29 115.31 119.55 2nuj h LEU 49 Ca 0.38 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2nuj h LEU 49 Cb 0.50 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2nuj h LEU 49 CO -0.34 0.90 0.23 0.03 0.09 0.00 0.00 178.44 179.35 2nuj h ARG 50 N 0.90 0.98 -0.92 1.13 2.47 0.29 -1.45 114.38 117.78 2nuj h ARG 50 Ca 0.18 -0.20 0.02 0.00 -1.26 0.00 0.00 59.98 58.72 2nuj h ARG 50 Cb 0.39 -0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.51 2nuj h ARG 50 CO 0.01 0.85 0.61 -1.49 0.56 0.00 0.00 179.97 180.50 2nuj h TRP 51 N 0.92 1.15 -0.44 3.04 6.55 -0.49 0.17 115.95 126.84 2nuj h TRP 51 Ca 0.21 0.03 -0.14 0.00 0.95 0.00 0.00 58.89 59.94 2nuj h TRP 51 Cb 0.25 -0.39 -0.01 0.00 -0.86 0.00 0.00 29.16 28.15 2nuj h TRP 51 CO 0.02 0.71 -0.28 1.88 -1.05 0.00 0.00 178.44 179.72 2nuj h TYR 52 N 1.23 1.13 -0.59 0.49 0.05 -1.23 -1.50 116.97 116.55 2nuj h TYR 52 Ca 0.35 -0.30 -0.10 0.00 0.05 0.00 0.00 58.73 58.73 2nuj h TYR 52 Cb -0.11 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.35 2nuj h TYR 52 CO -0.01 1.12 -0.01 1.49 -1.05 0.00 0.00 178.16 179.70 2nuj h GLU 53 N 0.82 1.05 -0.79 4.88 4.81 -0.83 -2.17 114.58 122.36 2nuj h GLU 53 Ca 0.09 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2nuj h GLU 53 Cb 0.86 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 2nuj h GLU 53 CO 0.08 1.04 0.43 0.77 -0.73 0.00 0.00 179.01 180.60 2nuj h SER 54 N 0.95 0.98 -0.07 1.04 0.02 -0.49 -2.83 113.55 113.14 2nuj h SER 54 Ca 0.17 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2nuj h SER 54 Cb 0.57 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2nuj h SER 54 CO 0.03 0.78 0.04 0.15 -1.14 0.00 0.00 176.83 176.70 2nuj h PHE 55 N 1.10 0.10 -0.72 3.45 3.04 -1.01 -3.22 116.94 119.68 2nuj h PHE 55 Ca 0.28 -0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.38 2nuj h PHE 55 Cb 0.03 -0.03 -0.11 0.00 2.56 0.00 0.00 35.95 38.39 2nuj h PHE 55 CO 0.01 0.13 0.12 0.00 -2.02 0.00 0.00 178.31 176.55 2nuj h ARG 56 N 0.03 0.21 0.16 1.11 3.08 -1.14 -2.48 114.38 115.35 2nuj h ARG 56 Ca 0.03 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2nuj h ARG 56 Cb 0.07 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 2nuj h ARG 56 CO -0.00 0.14 -0.47 -0.07 -1.07 0.00 0.00 179.97 178.49 2nuj h LEU 57 N 0.21 -1.41 -0.85 3.04 3.38 -1.55 0.22 115.31 118.35 2nuj h LEU 57 Ca 0.40 0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.41 2nuj h LEU 57 Cb 0.68 0.51 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2nuj h LEU 57 CO -0.54 -0.52 -0.23 1.55 0.09 0.00 0.00 178.44 178.79 2nuj h PRO 58 N -0.71 0.60 -0.42 1.13 0.13 -1.72 -3.06 132.00 127.95 2nuj h PRO 58 Ca -0.01 -0.23 0.04 0.00 -0.87 0.00 0.00 66.00 64.93 2nuj h PRO 58 Cb 0.70 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.75 2nuj h PRO 58 CO -0.23 0.78 0.18 0.35 -0.23 0.00 0.00 178.00 178.85 2nuj h PHE 59 N 0.53 0.33 0.00 1.56 3.57 -1.25 0.11 116.94 121.79 2nuj h PHE 59 Ca 0.08 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 2nuj h PHE 59 Cb 0.68 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2nuj h PHE 59 CO 0.03 0.15 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.82 2nuj h LEU 60 N 0.37 0.00 -0.16 0.59 3.38 -0.94 0.60 115.31 119.15 2nuj h LEU 60 Ca 0.19 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 2nuj h LEU 60 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2nuj h LEU 60 CO -0.16 0.37 -0.48 0.50 0.09 0.00 0.00 178.44 178.77 2nuj h LYS 61 N 0.00 0.61 -0.06 1.13 3.64 -1.38 -1.08 116.57 119.42 2nuj h LYS 61 Ca -0.00 -0.44 -0.04 0.00 -1.27 0.00 0.00 60.65 58.90 2nuj h LYS 61 Cb 0.84 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2nuj h LYS 61 CO 0.05 1.06 -0.13 0.00 -2.27 0.00 0.00 179.45 178.16 2nuj h ALA 62 N 0.55 1.67 -0.12 5.00 0.00 -0.20 -2.11 119.26 124.05 2nuj h ALA 62 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2nuj h ALA 62 Cb 1.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2nuj h ALA 62 CO 0.10 0.24 0.00 0.54 0.00 0.00 0.00 179.25 180.13 2nuj n ARG 63 N -4.34 1.61 -2.24 0.00 5.12 0.13 -4.93 116.66 112.02 2nuj n ARG 63 Ca -0.02 -0.92 -0.13 0.00 -1.93 0.00 0.00 57.85 54.86 2nuj n ARG 63 Cb 0.23 -1.39 -0.01 0.00 -1.16 0.00 0.00 32.46 30.13 2nuj n ARG 63 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2nuj n HIS 64 N 0.13 -0.61 0.10 -1.55 8.25 -0.79 -3.76 115.22 117.00 2nuj n HIS 64 Ca 0.16 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.42 2nuj n HIS 64 Cb 0.29 -2.83 -0.15 0.00 1.12 0.00 0.00 29.99 28.43 2nuj n HIS 64 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2nuj h VAL 65 N 0.00 1.18 -2.85 1.59 2.07 -1.43 -3.19 116.25 113.62 2nuj h VAL 65 Ca -0.31 -2.73 -0.08 0.00 0.82 0.00 0.00 66.70 64.41 2nuj h VAL 65 Cb 1.22 2.87 -0.17 0.00 -1.52 0.00 0.00 31.29 33.70 2nuj h VAL 65 CO 0.36 0.84 -0.05 0.28 0.02 0.00 0.00 177.57 179.02 2nuj s THR 66 N -2.61 0.04 -0.71 2.57 -1.32 -1.20 -4.63 115.64 107.79 2nuj s THR 66 Ca -0.10 -0.35 0.07 0.00 -1.21 0.00 0.00 61.69 60.10 2nuj s THR 66 Cb 0.06 -0.92 0.13 0.00 -1.51 0.00 0.00 72.50 70.25 2nuj s THR 66 CO 0.89 -0.19 0.96 -0.90 -2.21 0.00 0.00 174.62 173.17 2nuj n ASP 67 N 0.61 2.13 -0.73 8.08 5.68 -1.26 -4.08 116.55 126.98 2nuj n ASP 67 Ca -0.19 -1.68 -0.09 0.00 -0.50 0.00 0.00 54.79 52.33 2nuj n ASP 67 Cb 0.59 -0.08 -0.04 0.00 -1.14 0.00 0.00 41.12 40.45 2nuj n ASP 67 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2nuj n TYR 68 N 0.25 0.00 -0.89 2.11 4.01 -1.26 -4.99 117.16 116.39 2nuj n TYR 68 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 2nuj n TYR 68 Cb 0.28 -2.43 0.00 0.00 -0.31 0.00 0.00 39.34 36.88 2nuj n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nuj n GLY 69 N -0.19 0.36 0.10 2.72 0.00 -1.26 -4.93 105.19 101.98 2nuj n GLY 69 Ca -0.09 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 2nuj n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nuj h PRO 70 N 0.00 0.20 -0.67 1.61 0.13 -2.00 -2.79 132.00 128.48 2nuj h PRO 70 Ca 0.00 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2nuj h PRO 70 Cb 0.00 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.26 2nuj h PRO 70 CO 0.00 1.15 0.00 0.25 -0.23 0.00 0.00 178.00 179.17 2nuj n THR 71 N -3.48 1.97 -2.63 1.56 -2.24 -1.26 -4.94 114.28 103.27 2nuj n THR 71 Ca -0.07 -1.03 -0.29 0.00 -2.27 0.00 0.00 64.05 60.39 2nuj n THR 71 Cb 1.01 -0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.96 2nuj n THR 71 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2nuj s SER 72 N -0.62 6.35 0.59 3.42 1.04 -1.05 -5.04 113.70 118.39 2nuj s SER 72 Ca 0.41 1.06 -0.18 0.00 0.48 0.00 0.00 55.95 57.72 2nuj s SER 72 Cb 0.30 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 64.09 2nuj s SER 72 CO 0.13 -0.55 1.12 -2.16 0.98 0.00 0.00 173.24 172.77 2nuj s PRO 73 N -4.46 3.13 -0.06 4.02 0.04 -1.26 -4.54 135.00 131.86 2nuj s PRO 73 Ca 0.50 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 2nuj s PRO 73 Cb -0.10 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2nuj s PRO 73 CO 0.41 -1.01 0.96 0.50 0.04 0.00 0.00 177.00 177.90 2nuj s ARG 74 N -3.60 4.47 -0.18 4.56 3.52 0.44 -4.91 118.95 123.25 2nuj s ARG 74 Ca 0.71 1.34 -0.16 0.00 -0.13 0.00 0.00 55.73 57.48 2nuj s ARG 74 Cb -0.23 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 2nuj s ARG 74 CO 0.33 -0.17 0.42 -0.51 -0.81 0.00 0.00 175.30 174.55 2nuj s LEU 75 N 1.50 4.19 -0.09 -0.88 1.43 -1.26 -0.92 118.68 122.65 2nuj s LEU 75 Ca 0.48 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 2nuj s LEU 75 Cb -0.19 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.48 2nuj s LEU 75 CO 0.22 -0.05 -0.15 -0.69 0.23 0.00 0.00 176.35 175.90 2nuj s VAL 76 N 1.11 1.43 -0.06 -1.59 1.01 0.03 -4.98 120.40 117.34 2nuj s VAL 76 Ca 0.21 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2nuj s VAL 76 Cb -0.15 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 2nuj s VAL 76 CO 0.08 0.42 1.02 -0.22 0.00 0.00 0.00 175.10 176.41 2nuj s LEU 77 N 0.77 4.29 -0.16 3.92 2.96 -1.26 -0.45 118.68 128.75 2nuj s LEU 77 Ca -0.12 1.62 0.18 0.00 -0.22 0.00 0.00 54.13 55.59 2nuj s LEU 77 Cb -0.16 -3.56 -0.25 0.00 0.50 0.00 0.00 46.19 42.72 2nuj s LEU 77 CO 0.02 -0.40 0.20 0.29 -1.32 0.00 0.00 176.35 175.15 2nuj n LYS 78 N 4.62 0.68 -3.59 1.98 4.76 0.12 -4.94 118.16 121.78 2nuj n LYS 78 Ca 0.08 0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.41 2nuj n LYS 78 Cb 0.49 -1.56 -0.06 0.00 -1.84 0.00 0.00 35.03 32.06 2nuj n LYS 78 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2nuj s GLN 79 N -2.62 0.73 0.13 1.97 0.74 -1.19 -4.99 119.66 114.42 2nuj s GLN 79 Ca -0.09 0.44 0.01 0.00 0.05 0.00 0.00 55.36 55.77 2nuj s GLN 79 Cb 0.07 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.49 2nuj s GLN 79 CO 0.84 -0.17 -0.03 0.14 -0.55 0.00 0.00 175.29 175.52 2nuj s VAL 80 N -0.52 0.61 -0.00 1.34 -7.23 -1.26 -1.17 120.40 112.17 2nuj s VAL 80 Ca -0.02 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 2nuj s VAL 80 Cb -0.02 -1.87 -0.00 0.00 0.56 0.00 0.00 36.38 35.05 2nuj s VAL 80 CO 0.02 -0.70 0.08 -1.38 -0.31 0.00 0.00 175.10 172.80 2nuj s HIS 81 N -3.69 0.08 -0.12 2.82 -0.00 -1.03 -4.99 115.29 108.35 2nuj s HIS 81 Ca 0.17 -0.17 -0.10 0.00 -0.00 0.00 0.00 55.06 54.96 2nuj s HIS 81 Cb 0.06 -0.07 0.04 0.00 -0.00 0.00 0.00 32.58 32.60 2nuj s HIS 81 CO -0.01 -0.21 0.32 0.00 -0.00 0.00 0.00 174.74 174.84 2nuj s THR 83 N 0.41 2.73 -0.27 0.00 -4.23 0.22 -5.00 115.64 109.49 2nuj s THR 83 Ca -0.02 -1.74 0.01 0.00 -1.18 0.00 0.00 61.69 58.76 2nuj s THR 83 Cb -0.04 -2.29 0.08 0.00 1.34 0.00 0.00 72.50 71.59 2nuj s THR 83 CO -0.02 -0.03 -0.00 -0.31 -0.54 0.00 0.00 174.62 173.72 2nuj s TYR 84 N -1.46 2.63 -0.21 3.99 2.02 -1.26 -2.97 117.35 120.09 2nuj s TYR 84 Ca 0.20 -2.07 0.13 0.00 -0.37 0.00 0.00 57.07 54.97 2nuj s TYR 84 Cb -0.09 -1.93 -0.23 0.00 -0.40 0.00 0.00 41.96 39.31 2nuj s TYR 84 CO 0.11 -0.84 0.01 1.28 -1.57 0.00 0.00 175.55 174.54 2nuj n LEU 85 N 4.59 0.82 -3.76 -1.29 4.77 0.11 -4.96 117.00 117.28 2nuj n LEU 85 Ca -0.07 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.76 2nuj n LEU 85 Cb 0.43 0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 2nuj n LEU 85 CO 0.18 0.61 0.01 0.00 -1.33 0.00 0.00 177.39 176.86 2nuj s ALA 86 N -2.50 -0.82 1.04 -1.18 0.00 -0.80 -4.99 121.76 112.51 2nuj s ALA 86 Ca -0.16 0.77 -0.09 0.00 0.00 0.00 0.00 51.96 52.47 2nuj s ALA 86 Cb 0.07 -0.37 0.13 0.00 0.00 0.00 0.00 23.12 22.94 2nuj s ALA 86 CO 0.77 -0.19 0.64 0.39 0.00 0.00 0.00 175.76 177.37 2nuj n GLU 87 N 2.43 -1.08 0.00 0.00 1.02 -1.26 -4.80 120.64 116.94 2nuj n GLU 87 Ca -0.15 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.99 2nuj n GLU 87 Cb 0.57 -0.73 0.00 0.00 -0.02 0.00 0.00 31.44 31.26 2nuj n GLU 87 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nuj n GLY 89 N 0.08 -1.96 0.46 0.62 0.00 -1.26 -5.02 105.19 98.11 2nuj n GLY 89 Ca 0.08 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.86 2nuj n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nuj n GLY 91 N 0.00 0.00 3.74 -0.02 0.00 -1.16 -4.85 105.19 102.91 2nuj n GLY 91 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2nuj n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nuj s GLU 92 N 0.00 4.56 0.17 1.61 2.02 -1.26 -4.65 118.70 121.14 2nuj s GLU 92 Ca 0.00 1.81 -0.18 0.00 0.02 0.00 0.00 54.97 56.62 2nuj s GLU 92 Cb 0.00 -3.24 -0.07 0.00 0.10 0.00 0.00 34.13 30.92 2nuj s GLU 92 CO 0.00 0.05 0.64 -0.51 0.02 0.00 0.00 175.26 175.45 2nuj s ASP 93 N -0.23 6.99 0.12 -0.19 1.01 -1.26 -1.48 116.67 121.63 2nuj s ASP 93 Ca 0.49 1.28 -0.09 0.00 0.71 0.00 0.00 52.55 54.95 2nuj s ASP 93 Cb -0.31 -2.37 -0.00 0.00 1.01 0.00 0.00 42.92 41.25 2nuj s ASP 93 CO 0.38 0.11 0.23 -0.72 0.21 0.00 0.00 175.17 175.38 2nuj s TYR 94 N -1.41 0.25 -0.09 4.23 -0.85 -0.51 -1.33 117.35 117.63 2nuj s TYR 94 Ca 0.38 -0.65 0.04 0.00 -0.52 0.00 0.00 57.07 56.33 2nuj s TYR 94 Cb -0.17 -0.05 -0.00 0.00 0.38 0.00 0.00 41.96 42.12 2nuj s TYR 94 CO 0.20 -0.62 -0.24 0.08 -1.52 0.00 0.00 175.55 173.46 2nuj s VAL 95 N -3.90 2.01 -0.21 -3.49 1.01 0.45 -1.59 120.40 114.68 2nuj s VAL 95 Ca 0.10 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 2nuj s VAL 95 Cb 0.04 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 2nuj s VAL 95 CO -0.06 0.55 0.19 -0.63 0.00 0.00 0.00 175.10 175.14 2nuj s ILE 96 N 0.25 5.36 -0.01 2.22 -1.09 0.53 -0.59 121.20 127.87 2nuj s ILE 96 Ca -0.15 0.29 0.05 0.00 -2.23 0.00 0.00 60.65 58.61 2nuj s ILE 96 Cb -0.17 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 2nuj s ILE 96 CO 0.08 0.39 -0.16 0.42 -1.23 0.00 0.00 174.94 174.43 2nuj s THR 97 N 0.67 2.94 -0.03 2.92 -4.23 -0.53 -0.07 115.64 117.32 2nuj s THR 97 Ca 0.10 -0.94 -0.14 0.00 -1.18 0.00 0.00 61.69 59.54 2nuj s THR 97 Cb -0.12 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.55 2nuj s THR 97 CO 0.02 0.47 0.30 -0.83 -0.54 0.00 0.00 174.62 174.04 2nuj s GLY 98 N -1.06 -0.16 -0.06 3.99 0.00 -1.17 -1.44 107.32 107.42 2nuj s GLY 98 Ca 0.13 0.40 -0.21 0.00 0.00 0.00 0.00 44.72 45.05 2nuj s GLY 98 CO 0.03 0.21 0.47 1.09 0.00 0.00 0.00 173.10 174.91 2nuj s ARG 99 N -1.06 0.78 -0.08 2.90 1.70 -0.35 -4.53 118.95 118.30 2nuj s ARG 99 Ca -0.11 0.13 -0.29 0.00 -0.47 0.00 0.00 55.73 54.99 2nuj s ARG 99 Cb -0.05 0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 34.68 2nuj s ARG 99 CO 0.03 -0.21 0.99 0.08 -1.08 0.00 0.00 175.30 175.11 2nuj s VAL 100 N -0.97 4.81 -0.09 4.99 1.01 -1.26 -0.67 120.40 128.22 2nuj s VAL 100 Ca -0.10 2.02 0.20 0.00 0.00 0.00 0.00 61.98 64.10 2nuj s VAL 100 Cb -0.03 -4.30 -0.31 0.00 0.00 0.00 0.00 36.38 31.74 2nuj s VAL 100 CO 0.06 0.04 0.47 -1.54 0.00 0.00 0.00 175.10 174.13 2nuj n SER 101 N 4.76 0.42 -3.60 3.32 3.41 0.45 -4.75 113.62 117.63 2nuj n SER 101 Ca 0.08 -0.06 -0.11 0.00 -0.26 0.00 0.00 58.87 58.52 2nuj n SER 101 Cb 0.49 1.86 -0.06 0.00 -0.26 0.00 0.00 64.21 66.25 2nuj n SER 101 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2nuj s ASN 102 N -4.23 -0.45 0.01 4.04 3.84 -1.18 -4.95 114.94 112.01 2nuj s ASN 102 Ca -0.06 0.67 -0.05 0.00 0.21 0.00 0.00 52.86 53.62 2nuj s ASN 102 Cb 0.13 0.61 -0.00 0.00 -0.55 0.00 0.00 41.25 41.44 2nuj s ASN 102 CO 0.84 -0.28 0.09 0.72 -2.79 0.00 0.00 177.10 175.68 2nuj s PHE 103 N -0.50 0.10 0.00 0.43 -0.71 -1.26 -0.30 117.98 115.73 2nuj s PHE 103 Ca -0.00 -0.23 0.00 0.00 -1.04 0.00 0.00 56.93 55.66 2nuj s PHE 103 Cb -0.02 -0.08 0.00 0.00 -1.21 0.00 0.00 43.02 41.70 2nuj s PHE 103 CO -0.01 -0.25 0.00 0.54 -1.34 0.00 0.00 175.22 174.16 2nuj n ARG 104 N 1.54 2.80 -0.05 1.99 1.74 0.75 -4.99 116.66 120.43 2nuj n ARG 104 Ca -0.23 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.74 2nuj n ARG 104 Cb 0.55 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.94 2nuj n ARG 104 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2nuj h THR 105 N 0.50 1.23 0.00 0.55 2.02 -1.98 -3.35 112.91 111.88 2nuj h THR 105 Ca 0.00 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.43 2nuj h THR 105 Cb 0.00 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2nuj h THR 105 CO 0.00 0.23 -0.09 0.35 0.37 0.00 0.00 175.52 176.37 2nuj n THR 106 N -4.76 1.26 -3.61 3.16 -2.24 -1.26 -0.25 114.28 106.57 2nuj n THR 106 Ca -0.05 -1.47 -0.10 0.00 -2.27 0.00 0.00 64.05 60.16 2nuj n THR 106 Cb 0.19 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 2nuj n THR 106 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2nuj s SER 107 N -2.00 -0.41 0.23 3.42 1.04 -1.26 -1.43 113.70 113.29 2nuj s SER 107 Ca 0.18 -0.28 -0.18 0.00 0.48 0.00 0.00 55.95 56.15 2nuj s SER 107 Cb 0.16 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.93 2nuj s SER 107 CO 0.02 -1.09 0.58 0.72 0.98 0.00 0.00 173.24 174.45 2nuj s PHE 108 N -3.82 -0.09 0.43 5.02 -0.12 -0.29 -0.18 117.98 118.93 2nuj s PHE 108 Ca 0.05 -0.28 0.00 0.00 -0.05 0.00 0.00 56.93 56.66 2nuj s PHE 108 Cb -0.02 0.47 -0.00 0.00 -0.63 0.00 0.00 43.02 42.84 2nuj s PHE 108 CO -0.05 -1.02 0.02 2.41 -0.05 0.00 0.00 175.22 176.52 2nuj n THR 109 N -0.39 0.00 -3.57 -4.49 -1.04 0.59 -1.45 114.28 103.93 2nuj n THR 109 Ca -0.07 -2.09 -0.13 0.00 -2.04 0.00 0.00 64.05 59.71 2nuj n THR 109 Cb 0.61 0.46 -0.06 0.00 -1.82 0.00 0.00 70.33 69.52 2nuj n THR 109 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2nuj s GLU 111 N -3.57 0.77 0.05 -2.82 2.02 0.15 -0.41 118.70 114.89 2nuj s GLU 111 Ca 0.02 0.35 -0.00 0.00 0.02 0.00 0.00 54.97 55.36 2nuj s GLU 111 Cb 0.00 0.37 -0.03 0.00 0.10 0.00 0.00 34.13 34.56 2nuj s GLU 111 CO 0.02 -0.21 -0.04 -0.06 0.02 0.00 0.00 175.26 174.99 2nuj s PHE 112 N -0.76 0.53 0.07 1.61 0.08 0.15 -1.21 117.98 118.45 2nuj s PHE 112 Ca -0.04 -0.88 -0.11 0.00 0.12 0.00 0.00 56.93 56.02 2nuj s PHE 112 Cb -0.02 -0.37 0.01 0.00 -0.57 0.00 0.00 43.02 42.08 2nuj s PHE 112 CO 0.03 -0.28 0.25 0.00 -0.10 0.00 0.00 175.22 175.13 2nuj s ALA 113 N -3.13 -0.47 -0.16 5.36 0.00 -0.52 -1.35 121.76 121.48 2nuj s ALA 113 Ca 0.01 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.70 2nuj s ALA 113 Cb 0.02 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.57 2nuj s ALA 113 CO -0.06 -0.46 -0.21 0.00 0.00 0.00 0.00 175.76 175.03 2nuj s TRP 115 N 1.04 3.14 0.06 0.00 0.52 0.24 -0.79 118.94 123.16 2nuj s TRP 115 Ca -0.01 -1.31 -0.30 0.00 0.02 0.00 0.00 56.10 54.49 2nuj s TRP 115 Cb -0.14 -2.17 -0.05 0.00 -1.15 0.00 0.00 33.47 29.95 2nuj s TRP 115 CO -0.07 -0.67 1.05 0.50 0.02 0.00 0.00 176.95 177.79 2nuj s ARG 116 N 1.40 4.55 -1.00 4.98 3.52 0.85 -0.41 118.95 132.85 2nuj s ARG 116 Ca 0.01 1.57 -0.12 0.00 -0.13 0.00 0.00 55.73 57.05 2nuj s ARG 116 Cb -0.17 -3.39 0.24 0.00 -1.56 0.00 0.00 34.95 30.07 2nuj s ARG 116 CO -0.00 -0.04 1.00 -0.51 -0.81 0.00 0.00 175.30 174.93 2nuj s LEU 117 N 0.64 6.38 0.00 -0.88 1.43 -0.44 -2.00 118.68 123.81 2nuj s LEU 117 Ca 0.53 -3.14 0.00 0.00 -1.03 0.00 0.00 54.13 50.48 2nuj s LEU 117 Cb -0.25 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.74 2nuj s LEU 117 CO 0.30 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 177.03 2nuj n GLY 118 N 3.40 3.28 0.26 -3.19 0.00 -1.26 -4.44 105.19 103.25 2nuj n GLY 118 Ca 0.21 -1.88 0.05 0.00 0.00 0.00 0.00 46.02 44.39 2nuj n GLY 118 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2nuj h ASP 119 N 0.00 0.18 -3.51 1.61 -0.00 -2.02 -3.41 116.42 109.27 2nuj h ASP 119 Ca 0.00 -0.02 -0.66 0.00 -0.00 0.00 0.00 57.03 56.35 2nuj h ASP 119 Cb 0.00 -0.05 -0.16 0.00 -0.00 0.00 0.00 39.33 39.12 2nuj h ASP 119 CO 0.00 0.23 -0.76 0.00 -0.00 0.00 0.00 179.24 178.71 2nuj s ALA 120 N -4.99 2.86 -0.10 -0.78 0.00 -1.26 -5.12 121.76 112.37 2nuj s ALA 120 Ca -0.06 -1.32 -0.19 0.00 0.00 0.00 0.00 51.96 50.39 2nuj s ALA 120 Cb 0.16 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 2nuj s ALA 120 CO 0.71 0.59 0.50 0.08 0.00 0.00 0.00 175.76 177.64 2nuj s VAL 121 N -1.28 5.15 -0.09 0.00 1.01 -1.26 -4.55 120.40 119.38 2nuj s VAL 121 Ca 0.21 1.01 -0.05 0.00 0.00 0.00 0.00 61.98 63.15 2nuj s VAL 121 Cb -0.10 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.47 2nuj s VAL 121 CO 0.13 0.34 0.21 -0.70 0.00 0.00 0.00 175.10 175.08 2nuj s GLU 122 N 0.49 0.18 -0.36 2.72 2.12 -0.85 -4.97 118.70 118.03 2nuj s GLU 122 Ca 0.27 0.43 -0.29 0.00 0.36 0.00 0.00 54.97 55.74 2nuj s GLU 122 Cb -0.16 -0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.17 2nuj s GLU 122 CO 0.12 -0.13 1.21 0.00 -0.54 0.00 0.00 175.26 175.91 2nuj n THR 124 N 6.35 0.28 -3.61 0.00 -2.24 0.03 -4.54 114.28 110.56 2nuj n THR 124 Ca 0.13 -0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.60 2nuj n THR 124 Cb 0.47 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 2nuj n THR 124 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2nuj s SER 125 N -4.01 -0.32 0.23 3.42 0.15 -1.24 0.06 113.70 111.99 2nuj s SER 125 Ca 0.07 0.46 0.10 0.00 0.70 0.00 0.00 55.95 57.28 2nuj s SER 125 Cb 0.14 0.41 -0.05 0.00 -1.71 0.00 0.00 66.02 64.82 2nuj s SER 125 CO 0.72 -0.22 -0.19 -1.61 1.20 0.00 0.00 173.24 173.14 2nuj s GLU 126 N -0.61 1.51 0.23 5.44 2.02 -1.16 -1.18 118.70 124.95 2nuj s GLU 126 Ca 0.02 -1.64 -0.15 0.00 0.02 0.00 0.00 54.97 53.22 2nuj s GLU 126 Cb -0.02 -1.55 0.01 0.00 0.10 0.00 0.00 34.13 32.67 2nuj s GLU 126 CO -0.03 0.29 0.52 0.20 0.02 0.00 0.00 175.26 176.26 2nuj s GLY 127 N -3.23 0.22 0.14 -1.39 0.00 -0.45 -0.61 107.32 102.00 2nuj s GLY 127 Ca 0.25 -0.57 -0.10 0.00 0.00 0.00 0.00 44.72 44.31 2nuj s GLY 127 CO 0.11 -0.43 0.27 -1.35 0.00 0.00 0.00 173.10 171.70 2nuj s SER 128 N -2.95 0.04 -0.10 1.64 1.04 -0.65 -0.67 113.70 112.05 2nuj s SER 128 Ca 0.16 -0.76 -0.13 0.00 0.48 0.00 0.00 55.95 55.70 2nuj s SER 128 Cb -0.01 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.55 2nuj s SER 128 CO 0.04 -0.85 0.34 0.00 0.98 0.00 0.00 173.24 173.75 2nuj s ALA 129 N -3.92 -0.85 -0.20 5.32 0.00 -1.26 -2.47 121.76 118.38 2nuj s ALA 129 Ca 0.12 0.80 -0.03 0.00 0.00 0.00 0.00 51.96 52.85 2nuj s ALA 129 Cb 0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2nuj s ALA 129 CO -0.04 -0.20 -0.06 0.08 0.00 0.00 0.00 175.76 175.54 2nuj s VAL 130 N -0.27 3.30 -0.08 0.00 1.01 -0.31 -4.32 120.40 119.73 2nuj s VAL 130 Ca -0.04 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.45 2nuj s VAL 130 Cb -0.03 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 2nuj s VAL 130 CO 0.02 0.45 -0.21 -0.69 0.00 0.00 0.00 175.10 174.66 2nuj s VAL 131 N 1.26 2.39 0.09 2.92 1.01 -0.53 0.14 120.40 127.68 2nuj s VAL 131 Ca 0.03 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.16 2nuj s VAL 131 Cb -0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2nuj s VAL 131 CO -0.02 0.56 -0.14 0.68 0.00 0.00 0.00 175.10 176.18 2nuj s VAL 132 N 0.02 3.10 -0.21 2.92 -7.23 0.40 -1.13 120.40 118.26 2nuj s VAL 132 Ca -0.08 -1.28 -0.09 0.00 -1.81 0.00 0.00 61.98 58.72 2nuj s VAL 132 Cb -0.15 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 2nuj s VAL 132 CO 0.05 0.18 0.11 -0.76 -0.31 0.00 0.00 175.10 174.37 2nuj s LEU 133 N -1.95 3.92 0.12 1.32 1.02 -0.51 -0.79 118.68 121.80 2nuj s LEU 133 Ca 0.18 0.07 0.10 0.00 0.02 0.00 0.00 54.13 54.51 2nuj s LEU 133 Cb -0.11 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.04 2nuj s LEU 133 CO 0.10 0.11 -0.24 -0.76 0.02 0.00 0.00 176.35 175.57 2nuj s LEU 134 N 0.79 2.41 0.02 1.79 1.43 -0.10 -1.21 118.68 123.81 2nuj s LEU 134 Ca 0.06 -0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 52.17 2nuj s LEU 134 Cb -0.13 -1.32 -0.06 0.00 0.03 0.00 0.00 46.19 44.71 2nuj s LEU 134 CO 0.02 0.19 1.45 0.20 0.23 0.00 0.00 176.35 178.44 2nuj s ASN 135 N -1.99 6.80 0.66 2.29 -0.87 0.69 -0.42 114.94 122.10 2nuj s ASN 135 Ca 0.15 2.19 0.43 0.00 -1.57 0.00 0.00 52.86 54.06 2nuj s ASN 135 Cb -0.10 -2.56 2.35 0.00 -0.02 0.00 0.00 41.25 40.92 2nuj s ASN 135 CO 0.07 -0.75 2.35 0.03 -2.57 0.00 0.00 177.10 176.23 2nuj h ARG 136 N 7.88 0.00 -0.18 -0.60 3.08 -1.90 0.04 114.38 122.70 2nuj h ARG 136 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2nuj h ARG 136 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2nuj h ARG 136 CO 0.91 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 179.41 2nuj n ASP 137 N -3.16 1.21 0.00 7.04 5.68 -1.26 -4.94 116.55 121.12 2nuj n ASP 137 Ca -0.03 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 2nuj n ASP 137 Cb 0.08 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 2nuj n ASP 137 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2nuj n GLY 138 N 0.95 0.93 0.00 6.12 0.00 -0.00 -4.90 105.19 108.29 2nuj n GLY 138 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2nuj n GLY 138 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nuj n SER 139 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.99 113.62 112.39 2nuj n SER 139 Ca 0.00 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2nuj n SER 139 Cb 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2nuj n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nuj n GLY 140 N 0.45 0.21 3.80 5.00 0.00 -1.26 -4.99 105.19 108.40 2nuj n GLY 140 Ca 0.16 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 2nuj n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nuj s ARG 141 N -0.20 3.26 -0.06 1.61 1.81 -1.26 -0.23 118.95 123.89 2nuj s ARG 141 Ca 0.00 1.21 0.02 0.00 -1.72 0.00 0.00 55.73 55.23 2nuj s ARG 141 Cb 0.00 -2.02 0.02 0.00 -0.45 0.00 0.00 34.95 32.49 2nuj s ARG 141 CO 0.00 -0.86 -0.09 -0.47 -0.68 0.00 0.00 175.30 173.20 2nuj s TYR 142 N -2.47 1.20 0.32 -0.53 6.14 -0.35 -4.54 117.35 117.11 2nuj s TYR 142 Ca 0.64 -0.42 -0.28 0.00 0.64 0.00 0.00 57.07 57.64 2nuj s TYR 142 Cb -0.16 -0.93 -0.10 0.00 0.42 0.00 0.00 41.96 41.19 2nuj s TYR 142 CO 0.38 -0.25 1.18 -1.25 0.64 0.00 0.00 175.55 176.25 2nuj s PRO 143 N 0.80 4.43 0.11 4.97 0.04 -1.26 -4.51 135.00 139.58 2nuj s PRO 143 Ca -0.13 1.94 -0.34 0.00 0.04 0.00 0.00 61.00 62.52 2nuj s PRO 143 Cb -0.15 -3.04 -0.13 0.00 0.04 0.00 0.00 34.50 31.21 2nuj s PRO 143 CO 0.02 -0.02 1.64 -0.89 0.04 0.00 0.00 177.00 177.78 2nuj n ILE 144 N 0.83 0.12 -1.55 0.56 5.41 0.66 -4.89 119.36 120.50 2nuj n ILE 144 Ca 0.00 -0.02 -0.37 0.00 1.00 0.00 0.00 62.75 63.36 2nuj n ILE 144 Cb 0.44 -1.60 0.06 0.00 -0.71 0.00 0.00 39.64 37.83 2nuj n ILE 144 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2nuj n PRO 145 N 4.08 0.76 -0.10 0.38 -0.02 -1.26 -4.71 135.00 134.13 2nuj n PRO 145 Ca 0.18 0.31 0.02 0.00 -2.02 0.00 0.00 63.50 61.99 2nuj n PRO 145 Cb 0.29 -2.17 0.33 0.00 -0.02 0.00 0.00 33.50 31.92 2nuj n PRO 145 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2nuj h GLU 146 N 0.24 0.75 0.00 -0.52 5.08 -1.91 -1.03 114.58 117.19 2nuj h GLU 146 Ca -0.48 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 57.76 2nuj h GLU 146 Cb 1.36 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2nuj h GLU 146 CO 0.49 0.52 -0.30 0.00 -1.00 0.00 0.00 179.01 178.73 2nuj h ALA 147 N 1.62 1.23 -0.09 3.43 0.00 -1.90 -0.70 119.26 122.85 2nuj h ALA 147 Ca 0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2nuj h ALA 147 Cb -0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2nuj h ALA 147 CO -0.04 0.37 -0.08 0.78 0.00 0.00 0.00 179.25 180.28 2nuj h GLY 148 N 1.35 0.23 0.45 0.00 0.00 -1.22 -1.95 103.07 101.93 2nuj h GLY 148 Ca -0.00 -0.24 0.10 0.00 0.00 0.00 0.00 47.33 47.19 2nuj h GLY 148 CO 0.04 0.21 0.40 3.21 0.00 0.00 0.00 176.54 180.40 2nuj h ARG 149 N -0.20 0.64 -0.60 4.80 3.08 -0.98 -1.60 114.38 119.52 2nuj h ARG 149 Ca 0.01 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2nuj h ARG 149 Cb 0.60 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 2nuj h ARG 149 CO 0.02 0.43 0.20 0.00 -1.07 0.00 0.00 179.97 179.55 2nuj h ALA 150 N 1.46 0.79 -0.43 0.04 0.00 -1.10 -2.35 119.26 117.66 2nuj h ALA 150 Ca 0.38 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2nuj h ALA 150 Cb 0.41 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2nuj h ALA 150 CO -0.28 0.44 -0.05 0.77 0.00 0.00 0.00 179.25 180.14 2nuj h SER 151 N 0.85 0.78 -0.70 0.00 0.02 -1.03 -0.04 113.55 113.43 2nuj h SER 151 Ca 0.20 -0.33 0.11 0.00 -0.84 0.00 0.00 61.79 60.92 2nuj h SER 151 Cb 0.27 -0.21 -0.08 0.00 0.14 0.00 0.00 62.40 62.52 2nuj h SER 151 CO -0.01 0.93 0.31 -0.26 -1.14 0.00 0.00 176.83 176.66 2nuj h PHE 152 N 0.61 0.54 -0.03 3.45 0.04 -1.13 0.39 116.94 120.82 2nuj h PHE 152 Ca 0.11 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 2nuj h PHE 152 Cb 0.56 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 2nuj h PHE 152 CO 0.04 0.14 -0.02 0.28 -0.60 0.00 0.00 178.31 178.16 2nuj h VAL 153 N 0.50 1.35 0.00 -0.55 2.07 -0.99 -1.77 116.25 116.86 2nuj h VAL 153 Ca 0.36 -1.07 -0.17 0.00 0.82 0.00 0.00 66.70 66.64 2nuj h VAL 153 Cb 0.46 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 2nuj h VAL 153 CO -0.32 0.29 -0.89 0.71 0.02 0.00 0.00 177.57 177.38 2nuj h THR 154 N -0.36 1.24 0.00 2.57 1.35 -0.83 -2.68 112.91 114.20 2nuj h THR 154 Ca 0.01 -2.80 -0.32 0.00 -0.55 0.00 0.00 66.41 62.74 2nuj h THR 154 Cb 0.47 2.59 -0.06 0.00 -1.73 0.00 0.00 68.15 69.43 2nuj h THR 154 CO 0.01 0.70 -2.23 -0.62 -0.25 0.00 0.00 175.52 173.13 2nuj n GLU 155 N -3.25 0.55 0.02 4.72 -0.58 0.14 -4.49 120.64 117.76 2nuj n GLU 155 Ca -0.01 0.12 0.12 0.00 -0.42 0.00 0.00 57.16 56.97 2nuj n GLU 155 Cb 0.86 -1.43 0.16 0.00 -0.57 0.00 0.00 31.44 30.45 2nuj n GLU 155 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2nuj n ASP 156 N -3.13 0.60 -1.42 1.62 8.00 -0.71 -4.92 116.55 116.60 2nuj n ASP 156 Ca -0.38 -0.19 -0.14 0.00 0.71 0.00 0.00 54.79 54.79 2nuj n ASP 156 Cb 0.91 0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 42.39 2nuj n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nuj n GLY 157 N 1.43 0.33 3.65 0.44 0.00 -0.92 -4.94 105.19 105.18 2nuj n GLY 157 Ca 0.04 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 2nuj n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nuj s VAL 158 N -2.64 4.71 0.34 1.61 1.01 -1.13 -5.01 120.40 119.30 2nuj s VAL 158 Ca 0.00 1.79 -0.28 0.00 0.00 0.00 0.00 61.98 63.49 2nuj s VAL 158 Cb 0.00 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 2nuj s VAL 158 CO 0.00 -0.19 1.26 -0.76 0.00 0.00 0.00 175.10 175.41 2nuj s LEU 159 N 3.13 4.39 0.40 3.92 1.43 -1.26 -4.06 118.68 126.64 2nuj s LEU 159 Ca 0.41 2.59 0.19 0.00 -1.03 0.00 0.00 54.13 56.29 2nuj s LEU 159 Cb -0.15 -3.72 0.82 0.00 0.03 0.00 0.00 46.19 43.18 2nuj s LEU 159 CO 0.08 -0.54 1.81 0.00 0.23 0.00 0.00 176.35 177.93 2nuj h ALA 160 N 3.26 1.11 0.00 4.21 0.00 -1.96 -3.48 119.26 122.39 2nuj h ALA 160 Ca -0.49 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2nuj h ALA 160 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2nuj h ALA 160 CO 0.65 0.41 0.00 0.00 0.00 0.00 0.00 179.25 180.31