#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3npk s ASN 2 N 0.00 6.33 0.34 1.96 3.84 -1.26 -4.88 114.94 121.27 3npk s ASN 2 Ca 0.00 -1.41 0.06 0.00 0.21 0.00 0.00 52.86 51.73 3npk s ASN 2 Cb 0.00 -2.40 0.63 0.00 -0.55 0.00 0.00 41.25 38.94 3npk s ASN 2 CO 0.00 -1.27 1.85 -0.07 -2.79 0.00 0.00 177.10 174.82 3npk h LEU 3 N 10.84 0.36 0.10 3.21 3.38 -2.00 -0.93 115.31 130.27 3npk h LEU 3 Ca -0.14 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3npk h LEU 3 Cb 1.06 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3npk h LEU 3 CO 1.15 0.52 -0.05 0.50 0.09 0.00 0.00 178.44 180.65 3npk h LYS 4 N 0.36 -0.13 -0.24 1.13 3.64 -2.00 -1.03 116.57 118.30 3npk h LYS 4 Ca 0.07 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.29 3npk h LYS 4 Cb 0.44 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3npk h LYS 4 CO 0.02 -0.06 -0.52 0.93 -2.27 0.00 0.00 179.45 177.56 3npk h GLU 5 N -0.17 0.67 -0.27 1.90 4.39 -1.94 -1.81 114.58 117.35 3npk h GLU 5 Ca -0.01 -0.41 0.04 0.00 0.34 0.00 0.00 59.36 59.31 3npk h GLU 5 Cb 0.13 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3npk h GLU 5 CO 0.02 1.02 0.06 1.25 -1.16 0.00 0.00 179.01 180.21 3npk h LEU 6 N 0.52 0.03 -0.44 1.33 5.85 -1.09 -0.73 115.31 120.79 3npk h LEU 6 Ca 0.02 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 3npk h LEU 6 Cb 1.08 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3npk h LEU 6 CO 0.10 0.05 -0.00 0.15 -0.34 0.00 0.00 178.44 178.40 3npk h PHE 7 N 0.17 0.84 -0.62 1.25 3.57 -1.08 -1.72 116.94 119.36 3npk h PHE 7 Ca 0.12 -0.15 0.04 0.00 3.53 0.00 0.00 57.97 61.52 3npk h PHE 7 Cb 0.12 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 3npk h PHE 7 CO -0.16 0.83 0.35 0.82 -2.23 0.00 0.00 178.31 177.93 3npk h ILE 8 N 0.61 1.00 -0.86 1.41 2.04 -1.10 0.89 117.51 121.52 3npk h ILE 8 Ca 0.12 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3npk h ILE 8 Cb 0.50 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3npk h ILE 8 CO 0.02 0.12 0.43 -0.74 0.00 0.00 0.00 178.15 177.99 3npk h HIS 9 N 0.67 1.21 -0.33 1.37 2.76 -1.03 -0.81 115.15 118.99 3npk h HIS 9 Ca 0.27 -0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.36 3npk h HIS 9 Cb 0.11 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.68 3npk h HIS 9 CO -0.07 0.86 0.10 1.25 -1.30 0.00 0.00 177.93 178.77 3npk h HIS 10 N 1.21 0.53 -0.49 5.26 -0.00 -0.54 -2.64 115.15 118.48 3npk h HIS 10 Ca 0.30 -0.05 0.01 0.00 -0.00 0.00 0.00 60.37 60.62 3npk h HIS 10 Cb 0.08 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 3npk h HIS 10 CO 0.01 0.53 0.32 1.25 -0.00 0.00 0.00 177.93 180.04 3npk h LEU 11 N 0.37 0.56 -1.84 0.26 6.46 -0.58 -2.44 115.31 118.10 3npk h LEU 11 Ca 0.11 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 3npk h LEU 11 Cb 0.25 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 3npk h LEU 11 CO -0.00 0.40 -0.12 -0.33 -0.62 0.00 0.00 178.44 177.77 3npk h GLU 12 N 0.66 0.00 -0.65 1.25 5.08 -0.94 -1.55 114.58 118.43 3npk h GLU 12 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3npk h GLU 12 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3npk h GLU 12 CO -0.04 0.12 0.00 0.36 -1.00 0.00 0.00 179.01 178.45 3npk n LYS 13 N -3.56 2.69 -1.58 2.33 2.85 -1.01 -4.32 118.16 115.56 3npk n LYS 13 Ca -0.01 -2.57 -0.01 0.00 -1.05 0.00 0.00 58.31 54.67 3npk n LYS 13 Cb 0.26 -1.55 0.08 0.00 -0.65 0.00 0.00 35.03 33.17 3npk n LYS 13 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3npk n ASN 14 N 1.58 1.92 -4.72 -5.58 3.02 -0.60 -5.07 115.26 105.82 3npk n ASN 14 Ca 0.23 -2.83 -0.42 0.00 -0.03 0.00 0.00 54.58 51.53 3npk n ASN 14 Cb 0.61 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 3npk n ASN 14 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3npk s LEU 15 N -2.23 4.39 0.24 3.41 1.43 -1.15 -4.94 118.68 119.82 3npk s LEU 15 Ca 0.36 2.30 -0.30 0.00 -1.03 0.00 0.00 54.13 55.47 3npk s LEU 15 Cb 0.37 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.91 3npk s LEU 15 CO -0.08 -0.58 1.35 -2.16 0.23 0.00 0.00 176.35 175.10 3npk s PRO 16 N 0.72 4.35 0.08 1.29 0.04 -1.26 -5.00 135.00 135.21 3npk s PRO 16 Ca 0.61 2.16 -0.20 0.00 0.04 0.00 0.00 61.00 63.61 3npk s PRO 16 Cb -0.36 -3.15 0.05 0.00 0.04 0.00 0.00 34.50 31.09 3npk s PRO 16 CO 0.32 -0.29 0.49 -1.59 0.04 0.00 0.00 177.00 175.97 3npk s LYS 17 N -0.46 1.05 -0.01 4.56 -2.85 -1.26 -4.68 119.74 116.08 3npk s LYS 17 Ca 0.56 -0.38 0.01 0.00 -1.00 0.00 0.00 55.97 55.16 3npk s LYS 17 Cb -0.39 0.48 0.01 0.00 -2.06 0.00 0.00 37.83 35.87 3npk s LYS 17 CO 0.42 -0.39 -0.02 0.54 0.10 0.00 0.00 175.35 176.00 3npk s VAL 18 N -2.89 0.23 -0.06 1.79 0.11 -1.26 -5.12 120.40 113.20 3npk s VAL 18 Ca -0.03 -0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 58.67 3npk s VAL 18 Cb -0.00 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 3npk s VAL 18 CO -0.05 0.10 1.37 -0.70 -3.33 0.00 0.00 175.10 172.49 3npk s GLU 19 N 0.35 4.27 0.27 1.54 2.12 -1.26 -4.85 118.70 121.13 3npk s GLU 19 Ca -0.03 1.87 -0.20 0.00 0.36 0.00 0.00 54.97 56.97 3npk s GLU 19 Cb -0.06 -3.68 0.05 0.00 0.26 0.00 0.00 34.13 30.70 3npk s GLU 19 CO -0.01 -0.63 0.87 -1.54 -0.54 0.00 0.00 175.26 173.41 3npk s SER 20 N 2.05 -0.09 0.00 -1.70 1.04 -1.26 -5.02 113.70 108.72 3npk s SER 20 Ca 0.62 -0.76 0.16 0.00 0.48 0.00 0.00 55.95 56.44 3npk s SER 20 Cb -0.28 0.67 0.51 0.00 0.10 0.00 0.00 66.02 67.02 3npk s SER 20 CO 0.23 -1.29 1.40 2.22 0.98 0.00 0.00 173.24 176.78 3npk n PHE 21 N -0.54 0.37 -2.03 5.02 1.16 -1.26 -4.87 117.46 115.31 3npk n PHE 21 Ca -0.06 -0.19 -0.42 0.00 -1.87 0.00 0.00 57.45 54.92 3npk n PHE 21 Cb 0.60 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.44 3npk n PHE 21 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 3npk s HIS 22 N -1.63 2.79 -0.22 2.97 2.46 -1.26 -4.90 115.29 115.50 3npk s HIS 22 Ca 0.28 0.60 0.28 0.00 0.47 0.00 0.00 55.06 56.70 3npk s HIS 22 Cb 0.15 -3.84 1.15 0.00 -0.13 0.00 0.00 32.58 29.91 3npk s HIS 22 CO 0.21 -3.21 1.84 -1.00 -2.47 0.00 0.00 174.74 170.11 3npk h PRO 23 N 7.65 0.00 0.00 2.88 0.13 -2.04 -3.37 132.00 137.25 3npk h PRO 23 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3npk h PRO 23 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3npk h PRO 23 CO 0.91 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.65 3npk n PHE 24 N -2.64 0.00 -0.29 1.56 1.16 -1.26 -4.92 117.46 111.07 3npk n PHE 24 Ca 0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.57 3npk n PHE 24 Cb 0.27 0.02 0.10 0.00 -1.61 0.00 0.00 39.48 38.26 3npk n PHE 24 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 3npk h PHE 25 N 0.00 0.97 -0.56 2.97 3.57 -1.99 0.70 116.94 122.61 3npk h PHE 25 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3npk h PHE 25 Cb 0.62 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 3npk h PHE 25 CO 0.00 0.56 0.31 -0.91 -2.23 0.00 0.00 178.31 176.04 3npk h ASN 26 N 1.01 0.69 -0.88 0.41 2.35 -1.88 0.12 115.58 117.40 3npk h ASN 26 Ca 0.32 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 3npk h ASN 26 Cb 0.01 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 3npk h ASN 26 CO -0.11 0.58 0.48 -0.33 -1.65 0.00 0.00 177.43 176.40 3npk h GLU 27 N 0.75 1.23 -0.48 0.81 3.07 -1.72 -1.90 114.58 116.33 3npk h GLU 27 Ca 0.20 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 58.82 3npk h GLU 27 Cb 0.04 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.69 3npk h GLU 27 CO -0.03 0.90 -0.10 0.00 -1.40 0.00 0.00 179.01 178.38 3npk h ALA 28 N 1.26 0.93 -0.77 3.43 0.00 -0.47 -0.69 119.26 122.96 3npk h ALA 28 Ca 0.31 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3npk h ALA 28 Cb 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3npk h ALA 28 CO -0.05 0.63 0.50 -0.07 0.00 0.00 0.00 179.25 180.25 3npk h LEU 29 N 0.78 0.84 -0.06 0.00 3.38 -0.68 -3.12 115.31 116.45 3npk h LEU 29 Ca 0.13 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 3npk h LEU 29 Cb 0.61 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3npk h LEU 29 CO 0.04 0.59 -0.77 0.00 0.09 0.00 0.00 178.44 178.40 3npk h ALA 30 N 1.30 0.52 0.00 1.53 0.00 -0.99 -3.39 119.26 118.23 3npk h ALA 30 Ca 0.30 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3npk h ALA 30 Cb -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3npk h ALA 30 CO -0.09 0.96 0.00 -0.11 0.00 0.00 0.00 179.25 180.01 3npk n LEU 31 N -3.32 0.00 0.00 0.00 7.94 -0.30 -1.15 117.00 120.17 3npk n LEU 31 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 3npk n LEU 31 Cb 0.83 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.78 3npk n LEU 31 CO 0.44 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.90 3npk n LEU 33 N -0.23 0.00 0.09 -1.96 4.77 -1.26 -1.52 117.00 116.89 3npk n LEU 33 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3npk n LEU 33 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3npk n LEU 33 CO 0.00 0.00 0.17 0.11 -1.33 0.00 0.00 177.39 176.34 3npk h LYS 34 N 0.00 0.00 -0.27 3.23 1.57 -1.49 -3.38 116.57 116.22 3npk h LYS 34 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3npk h LYS 34 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3npk h LYS 34 CO 0.00 0.47 -0.20 0.00 -0.57 0.00 0.00 179.45 179.15 3npk h ALA 35 N 1.43 1.14 0.00 3.86 0.00 -1.51 -3.48 119.26 120.70 3npk h ALA 35 Ca -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3npk h ALA 35 Cb 1.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3npk h ALA 35 CO 0.06 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.27 3npk n GLY 36 N -0.46 -0.90 0.00 0.00 0.00 -1.26 -4.88 105.19 97.68 3npk n GLY 36 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3npk n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3npk n GLY 37 N 0.00 3.98 0.04 -0.02 0.00 -1.26 -4.80 105.19 103.13 3npk n GLY 37 Ca 0.00 -1.29 0.12 0.00 0.00 0.00 0.00 46.02 44.85 3npk n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3npk n LYS 38 N 0.00 0.08 -3.01 1.61 5.02 -1.26 -4.91 118.16 115.69 3npk n LYS 38 Ca 0.00 0.17 -0.21 0.00 -2.02 0.00 0.00 58.31 56.25 3npk n LYS 38 Cb 0.00 -1.62 0.01 0.00 -0.02 0.00 0.00 35.03 33.40 3npk n LYS 38 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3npk n HIS 39 N -1.77 -1.75 -0.20 2.13 8.25 -1.26 -4.89 115.22 115.72 3npk n HIS 39 Ca 0.05 0.39 -0.01 0.00 -0.26 0.00 0.00 57.72 57.89 3npk n HIS 39 Cb 0.30 -3.65 0.10 0.00 1.12 0.00 0.00 29.99 27.85 3npk n HIS 39 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3npk h PHE 40 N -0.93 0.50 -0.08 4.41 3.57 -1.99 0.51 116.94 122.94 3npk h PHE 40 Ca -0.46 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 3npk h PHE 40 Cb 1.32 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 3npk h PHE 40 CO 0.61 0.19 -0.00 0.00 -2.23 0.00 0.00 178.31 176.88 3npk h ARG 41 N 0.51 0.14 -0.65 1.11 3.08 -1.97 -0.23 114.38 116.37 3npk h ARG 41 Ca 0.29 -0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.42 3npk h ARG 41 Cb 0.28 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.22 3npk h ARG 41 CO -0.24 0.42 0.15 0.00 -1.07 0.00 0.00 179.97 179.24 3npk h ALA 42 N 0.71 0.80 -0.23 0.04 0.00 -1.76 -2.31 119.26 116.51 3npk h ALA 42 Ca 0.02 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3npk h ALA 42 Cb 0.36 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3npk h ALA 42 CO 0.00 -0.30 -0.31 1.96 0.00 0.00 0.00 179.25 180.60 3npk h GLN 43 N 0.28 0.47 -0.32 0.00 1.08 -0.52 -0.58 115.11 115.52 3npk h GLN 43 Ca 0.35 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3npk h GLN 43 Cb 0.54 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 3npk h GLN 43 CO -0.43 0.73 0.21 -0.07 -0.95 0.00 0.00 178.83 178.32 3npk h LEU 44 N 0.40 0.37 -0.14 1.46 3.38 -0.70 -0.27 115.31 119.81 3npk h LEU 44 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3npk h LEU 44 Cb 0.75 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3npk h LEU 44 CO 0.06 0.27 0.06 0.25 0.09 0.00 0.00 178.44 179.17 3npk h LEU 45 N 0.43 0.19 -1.27 1.67 6.46 -1.05 -2.44 115.31 119.31 3npk h LEU 45 Ca 0.12 -0.16 -0.08 0.00 -0.12 0.00 0.00 57.88 57.64 3npk h LEU 45 Cb -0.04 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 3npk h LEU 45 CO -0.02 0.30 -0.36 -0.07 -0.62 0.00 0.00 178.44 177.66 3npk h LEU 46 N 0.08 0.00 -0.32 2.25 3.38 -1.02 -2.20 115.31 117.48 3npk h LEU 46 Ca 0.05 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3npk h LEU 46 Cb 0.16 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3npk h LEU 46 CO -0.00 0.37 -0.03 0.28 0.09 0.00 0.00 178.44 179.15 3npk h SER 47 N 0.00 0.57 -0.06 -0.43 0.02 -0.84 0.11 113.55 112.92 3npk h SER 47 Ca -0.00 -0.33 0.02 0.00 -0.84 0.00 0.00 61.79 60.64 3npk h SER 47 Cb 0.65 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 3npk h SER 47 CO 0.05 0.77 -0.08 0.58 -1.14 0.00 0.00 176.83 177.00 3npk h VAL 48 N 0.37 0.77 -0.17 2.27 2.07 -1.07 -1.25 116.25 119.25 3npk h VAL 48 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 3npk h VAL 48 Cb 0.49 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3npk h VAL 48 CO 0.02 0.00 0.10 0.58 0.02 0.00 0.00 177.57 178.29 3npk h VAL 49 N -0.12 1.08 -0.98 2.57 2.07 -1.25 -2.29 116.25 117.34 3npk h VAL 49 Ca 0.05 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.46 3npk h VAL 49 Cb 0.19 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 3npk h VAL 49 CO -0.13 0.08 0.63 -0.61 0.02 0.00 0.00 177.57 177.55 3npk h GLN 50 N 0.19 1.01 0.00 1.57 5.75 -0.65 0.13 115.11 123.11 3npk h GLN 50 Ca 0.06 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3npk h GLN 50 Cb 0.04 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 3npk h GLN 50 CO -0.01 0.67 -0.17 0.66 -2.65 0.00 0.00 178.83 177.32 3npk h SER 51 N 1.04 0.00 0.00 -0.69 4.64 -0.84 -3.32 113.55 114.38 3npk h SER 51 Ca 0.45 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.68 3npk h SER 51 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3npk h SER 51 CO -0.21 0.17 -1.31 -3.20 -0.87 0.00 0.00 176.83 171.41 3npk n ASN 52 N -3.22 1.32 -3.31 4.97 2.85 -0.83 -4.89 115.26 112.16 3npk n ASN 52 Ca 0.02 0.04 -0.25 0.00 -0.11 0.00 0.00 54.58 54.27 3npk n ASN 52 Cb 0.49 -0.14 -0.08 0.00 1.24 0.00 0.00 39.78 41.28 3npk n ASN 52 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3npk n LYS 53 N -3.08 0.74 0.31 1.20 5.02 0.40 -4.97 118.16 117.78 3npk n LYS 53 Ca -0.11 -3.38 0.21 0.00 -2.02 0.00 0.00 58.31 53.01 3npk n LYS 53 Cb 0.59 -1.50 1.10 0.00 -0.02 0.00 0.00 35.03 35.19 3npk n LYS 53 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3npk h PRO 54 N 4.63 0.00 0.00 1.97 0.13 -1.62 -0.19 132.00 136.91 3npk h PRO 54 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3npk h PRO 54 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3npk h PRO 54 CO 0.47 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.39 3npk n GLU 55 N -2.97 0.02 -0.19 0.86 0.00 -1.26 -1.97 120.64 115.13 3npk n GLU 55 Ca -0.02 0.30 0.07 0.00 0.00 0.00 0.00 57.16 57.51 3npk n GLU 55 Cb 0.09 -1.53 0.18 0.00 0.00 0.00 0.00 31.44 30.17 3npk n GLU 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3npk n LEU 56 N -1.56 3.03 -0.09 -1.84 4.77 -0.08 -4.74 117.00 116.49 3npk n LEU 56 Ca 0.03 -1.80 -0.09 0.00 -0.03 0.00 0.00 56.01 54.12 3npk n LEU 56 Cb 0.15 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 3npk n LEU 56 CO 0.12 0.73 0.98 0.25 -1.33 0.00 0.00 177.39 178.14 3npk h LEU 57 N 2.73 0.37 -0.71 2.23 5.85 -1.50 -0.93 115.31 123.35 3npk h LEU 57 Ca 0.00 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 3npk h LEU 57 Cb 0.77 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 3npk h LEU 57 CO 0.00 0.30 0.26 0.78 -0.34 0.00 0.00 178.44 179.44 3npk h ASN 58 N 0.41 1.00 0.18 1.25 2.35 -1.85 -1.89 115.58 117.03 3npk h ASN 58 Ca 0.11 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 3npk h ASN 58 Cb -0.01 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 3npk h ASN 58 CO -0.02 0.92 -0.20 1.56 -1.65 0.00 0.00 177.43 178.04 3npk h GLN 59 N 1.03 0.04 0.00 0.81 7.50 -1.82 -2.07 115.11 120.60 3npk h GLN 59 Ca 0.23 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.37 3npk h GLN 59 Cb 0.25 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.77 3npk h GLN 59 CO -0.01 0.24 0.00 0.00 -1.50 0.00 0.00 178.83 177.56 3npk h ALA 60 N 1.76 1.00 -0.67 3.87 0.00 -0.35 -3.23 119.26 121.64 3npk h ALA 60 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3npk h ALA 60 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3npk h ALA 60 CO 0.03 0.00 0.44 -0.07 0.00 0.00 0.00 179.25 179.65 3npk h LEU 61 N 0.00 0.62 -1.28 0.00 3.38 -1.11 -0.37 115.31 116.55 3npk h LEU 61 Ca 0.00 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3npk h LEU 61 Cb 0.54 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3npk h LEU 61 CO 0.00 0.41 -0.27 0.44 0.09 0.00 0.00 178.44 179.11 3npk h ASP 62 N 0.71 0.14 -0.07 -0.43 3.32 -1.75 0.25 116.42 118.59 3npk h ASP 62 Ca 0.28 -0.04 -0.21 0.00 0.02 0.00 0.00 57.03 57.08 3npk h ASP 62 Cb 0.22 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.74 3npk h ASP 62 CO -0.09 0.42 -0.79 0.58 -1.72 0.00 0.00 179.24 177.64 3npk h VAL 63 N 0.13 1.32 -0.99 -1.35 2.07 -1.30 -1.69 116.25 114.44 3npk h VAL 63 Ca 0.02 -2.06 0.05 0.00 0.82 0.00 0.00 66.70 65.53 3npk h VAL 63 Cb 0.55 2.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.52 3npk h VAL 63 CO 0.04 0.63 0.64 0.00 0.02 0.00 0.00 177.57 178.91 3npk h ALA 64 N 0.45 1.34 -0.50 1.67 0.00 -1.05 -2.28 119.26 118.88 3npk h ALA 64 Ca -0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3npk h ALA 64 Cb 1.45 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3npk h ALA 64 CO 0.16 0.50 0.30 1.25 0.00 0.00 0.00 179.25 181.46 3npk h LEU 65 N 1.22 0.60 -0.71 0.00 5.85 -0.74 -1.83 115.31 119.70 3npk h LEU 65 Ca 0.41 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.13 3npk h LEU 65 Cb 0.06 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3npk h LEU 65 CO -0.14 0.48 0.42 0.00 -0.34 0.00 0.00 178.44 178.85 3npk h ALA 66 N 1.15 0.96 -0.52 1.25 0.00 -0.89 0.77 119.26 121.98 3npk h ALA 66 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3npk h ALA 66 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3npk h ALA 66 CO -0.03 0.13 0.30 -0.07 0.00 0.00 0.00 179.25 179.58 3npk h LEU 67 N 0.78 0.47 -0.81 0.00 3.38 -1.04 -1.48 115.31 116.61 3npk h LEU 67 Ca 0.31 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.18 3npk h LEU 67 Cb 0.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3npk h LEU 67 CO -0.16 0.33 -0.51 -0.33 0.09 0.00 0.00 178.44 177.86 3npk h GLU 68 N 0.59 0.00 -0.30 1.13 4.39 -0.68 -0.57 114.58 119.15 3npk h GLU 68 Ca 0.21 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 3npk h GLU 68 Cb 0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3npk h GLU 68 CO -0.11 0.51 0.09 0.74 -1.16 0.00 0.00 179.01 179.08 3npk h PHE 69 N 0.00 0.48 -0.19 4.33 -1.00 -0.47 0.91 116.94 120.99 3npk h PHE 69 Ca -0.01 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.72 3npk h PHE 69 Cb 1.02 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.43 3npk h PHE 69 CO 0.00 0.51 0.11 0.82 -1.61 0.00 0.00 178.31 178.14 3npk h ILE 70 N 0.32 1.09 -0.33 -0.55 1.08 -1.03 -0.49 117.51 117.61 3npk h ILE 70 Ca 0.10 -0.25 -0.00 0.00 -0.39 0.00 0.00 64.86 64.32 3npk h ILE 70 Cb 0.25 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 3npk h ILE 70 CO -0.00 0.09 0.20 -0.74 -0.69 0.00 0.00 178.15 177.01 3npk h HIS 71 N 0.22 0.44 -0.62 1.37 2.76 -0.97 -1.71 115.15 116.63 3npk h HIS 71 Ca 0.07 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 3npk h HIS 71 Cb 0.05 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 3npk h HIS 71 CO -0.04 0.32 0.26 1.15 -1.30 0.00 0.00 177.93 178.32 3npk h THR 72 N 0.43 1.23 -0.99 6.26 2.02 -0.71 -2.04 112.91 119.11 3npk h THR 72 Ca 0.12 -0.69 0.05 0.00 0.77 0.00 0.00 66.41 66.66 3npk h THR 72 Cb 0.01 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 66.89 3npk h THR 72 CO -0.02 0.27 0.64 0.10 0.37 0.00 0.00 175.52 176.88 3npk h TYR 73 N 0.86 1.20 -0.40 3.16 -0.00 -0.82 -1.70 116.97 119.27 3npk h TYR 73 Ca 0.21 0.03 -0.09 0.00 0.00 0.00 0.00 58.73 58.88 3npk h TYR 73 Cb 0.18 -0.40 -0.02 0.00 0.00 0.00 0.00 36.73 36.50 3npk h TYR 73 CO 0.01 0.65 -0.11 0.66 -0.00 0.00 0.00 178.16 179.38 3npk h SER 74 N 1.20 0.70 -0.46 0.10 4.64 -0.80 -1.14 113.55 117.80 3npk h SER 74 Ca 0.41 -0.20 -0.07 0.00 -0.47 0.00 0.00 61.79 61.46 3npk h SER 74 Cb 0.08 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 3npk h SER 74 CO -0.15 0.83 0.01 -0.07 -0.87 0.00 0.00 176.83 176.58 3npk h LEU 75 N 0.65 0.78 -0.31 5.97 3.38 -0.76 0.33 115.31 125.35 3npk h LEU 75 Ca 0.11 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3npk h LEU 75 Cb 0.56 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3npk h LEU 75 CO 0.03 0.89 0.16 0.40 0.09 0.00 0.00 178.44 180.01 3npk h ILE 76 N 0.65 1.15 -0.46 1.22 2.04 -0.84 -0.91 117.51 120.37 3npk h ILE 76 Ca 0.13 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 3npk h ILE 76 Cb 0.49 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3npk h ILE 76 CO 0.02 0.16 -0.08 0.45 0.00 0.00 0.00 178.15 178.69 3npk h HIS 77 N 0.38 0.97 0.00 1.37 3.86 -1.16 -2.99 115.15 117.58 3npk h HIS 77 Ca 0.11 -0.20 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 3npk h HIS 77 Cb 0.11 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 3npk h HIS 77 CO -0.02 0.95 -0.15 -0.44 0.86 0.00 0.00 177.93 179.13 3npk h ASP 78 N 0.71 0.00 0.99 2.45 3.32 -0.71 -2.01 116.42 121.16 3npk h ASP 78 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3npk h ASP 78 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3npk h ASP 78 CO 0.04 0.15 0.00 0.47 -1.72 0.00 0.00 179.24 178.18 3npk n ASP 79 N -4.18 0.10 -4.67 6.45 8.00 -0.36 -0.47 116.55 121.42 3npk n ASP 79 Ca -0.02 0.51 -0.36 0.00 0.71 0.00 0.00 54.79 55.63 3npk n ASP 79 Cb 0.22 -0.54 0.08 0.00 -0.02 0.00 0.00 41.12 40.87 3npk n ASP 79 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3npk n LEU 80 N -1.60 4.71 -0.25 0.64 4.77 -0.76 -1.07 117.00 123.45 3npk n LEU 80 Ca 0.06 0.74 0.19 0.00 -0.03 0.00 0.00 56.01 56.97 3npk n LEU 80 Cb 0.33 -1.48 0.50 0.00 -2.33 0.00 0.00 43.42 40.44 3npk n LEU 80 CO 0.26 -1.55 1.22 -0.65 -1.33 0.00 0.00 177.39 175.34 3npk h PRO 81 N 0.06 0.41 0.00 3.23 0.11 -1.90 0.92 132.00 134.83 3npk h PRO 81 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3npk h PRO 81 Cb 1.34 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3npk h PRO 81 CO 0.50 0.27 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 3npk n ALA 82 N -2.51 1.64 0.26 -0.75 0.00 -1.26 -4.15 120.51 113.74 3npk n ALA 82 Ca 0.19 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.71 3npk n ALA 82 Cb 0.69 -1.12 0.50 0.00 0.00 0.00 0.00 19.45 19.52 3npk n ALA 82 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3npk h ASP 84 N 0.00 0.00 -5.93 0.00 3.32 -0.64 -3.53 116.42 109.64 3npk h ASP 84 Ca 0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 3npk h ASP 84 Cb 0.03 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.68 3npk h ASP 84 CO 0.00 0.00 -0.81 -3.20 -1.72 0.00 0.00 179.24 173.51 3npk n ASN 85 N -2.89 -1.58 -4.79 6.45 5.15 0.31 -4.95 115.26 112.96 3npk n ASN 85 Ca 0.02 -0.75 -0.39 0.00 -0.60 0.00 0.00 54.58 52.86 3npk n ASN 85 Cb 0.72 -4.44 -0.06 0.00 -0.53 0.00 0.00 39.78 35.47 3npk n ASN 85 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3npk s ALA 86 N -3.56 3.54 -0.26 5.20 0.00 -0.23 -4.91 121.76 121.54 3npk s ALA 86 Ca 0.01 0.05 0.22 0.00 0.00 0.00 0.00 51.96 52.25 3npk s ALA 86 Cb -0.00 -2.70 0.04 0.00 0.00 0.00 0.00 23.12 20.46 3npk s ALA 86 CO 0.78 0.30 1.11 -0.44 0.00 0.00 0.00 175.76 177.51 3npk h ASP 87 N 4.98 0.00 -4.99 0.00 3.32 -1.92 -3.43 116.42 114.38 3npk h ASP 87 Ca -0.48 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.41 3npk h ASP 87 Cb 1.21 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 3npk h ASP 87 CO 0.66 0.01 -0.69 -0.36 -1.72 0.00 0.00 179.24 177.14 3npk s PHE 88 N -3.34 0.26 -0.21 4.55 0.08 -1.26 -1.83 117.98 116.24 3npk s PHE 88 Ca 0.00 -0.54 -0.16 0.00 0.12 0.00 0.00 56.93 56.36 3npk s PHE 88 Cb 0.09 -0.19 0.06 0.00 -0.57 0.00 0.00 43.02 42.40 3npk s PHE 88 CO 0.77 -0.21 0.53 0.50 -0.10 0.00 0.00 175.22 176.72 3npk s ARG 89 N -1.60 0.58 -1.30 0.44 6.06 -0.02 -4.77 118.95 118.34 3npk s ARG 89 Ca -0.15 0.83 -0.04 0.00 -2.50 0.00 0.00 55.73 53.87 3npk s ARG 89 Cb -0.09 0.19 0.03 0.00 0.06 0.00 0.00 34.95 35.14 3npk s ARG 89 CO -0.01 -0.11 0.30 0.54 -2.50 0.00 0.00 175.30 173.52 3npk n ARG 90 N 3.42 -3.16 -0.57 5.12 1.74 -1.26 -2.06 116.66 119.89 3npk n ARG 90 Ca -0.17 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 3npk n ARG 90 Cb 0.56 -5.35 0.00 0.00 -1.02 0.00 0.00 32.46 26.65 3npk n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3npk n GLY 91 N -1.10 0.95 3.39 -0.13 0.00 -1.26 -4.51 105.19 102.53 3npk n GLY 91 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 3npk n GLY 91 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3npk s ILE 92 N -3.21 1.32 0.62 -0.61 -4.36 -0.88 -5.13 121.20 108.97 3npk s ILE 92 Ca 0.00 -2.07 -0.19 0.00 -0.26 0.00 0.00 60.65 58.13 3npk s ILE 92 Cb 0.00 -2.44 -0.02 0.00 1.25 0.00 0.00 42.46 41.25 3npk s ILE 92 CO 0.00 -0.28 1.31 -2.65 0.24 0.00 0.00 174.94 173.56 3npk n PRO 93 N -0.52 1.27 -1.09 0.37 -0.02 -1.26 -0.84 135.00 132.90 3npk n PRO 93 Ca -0.05 0.49 -0.31 0.00 -2.02 0.00 0.00 63.50 61.61 3npk n PRO 93 Cb 0.64 -2.55 0.11 0.00 -0.02 0.00 0.00 33.50 31.69 3npk n PRO 93 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3npk s THR 94 N -1.36 2.90 0.42 3.45 -4.23 -0.76 -4.64 115.64 111.43 3npk s THR 94 Ca 0.80 0.30 0.09 0.00 -1.18 0.00 0.00 61.69 61.70 3npk s THR 94 Cb -0.39 -2.64 0.25 0.00 1.34 0.00 0.00 72.50 71.07 3npk s THR 94 CO 0.42 -0.38 2.05 -0.07 -0.54 0.00 0.00 174.62 176.11 3npk h LEU 95 N -1.32 0.37 -0.59 4.79 3.38 -1.93 -1.01 115.31 118.99 3npk h LEU 95 Ca -0.44 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3npk h LEU 95 Cb 1.24 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3npk h LEU 95 CO 0.48 0.30 0.00 1.12 0.09 0.00 0.00 178.44 180.43 3npk h HIS 96 N 0.42 0.00 0.13 1.13 2.07 -1.92 0.31 115.15 117.29 3npk h HIS 96 Ca 0.11 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.35 3npk h HIS 96 Cb 0.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.99 3npk h HIS 96 CO 0.00 0.00 -1.44 0.87 -3.07 0.00 0.00 177.93 174.29 3npk h LYS 97 N 0.00 0.28 -0.18 5.12 1.79 -1.56 -3.28 116.57 118.74 3npk h LYS 97 Ca 0.00 -0.47 -0.16 0.00 -2.18 0.00 0.00 60.65 57.84 3npk h LYS 97 Cb 0.69 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 3npk h LYS 97 CO 0.00 1.23 -0.57 0.77 -1.08 0.00 0.00 179.45 179.80 3npk h SER 98 N -0.23 0.61 0.00 0.86 0.02 -1.18 -3.44 113.55 110.19 3npk h SER 98 Ca -0.30 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 3npk h SER 98 Cb 1.82 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.18 3npk h SER 98 CO 0.09 1.05 0.00 -1.22 -1.14 0.00 0.00 176.83 175.61 3npk n TYR 99 N -3.95 0.00 -3.80 3.45 4.02 0.09 -5.10 117.16 111.87 3npk n TYR 99 Ca -0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.81 3npk n TYR 99 Cb 0.61 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.93 3npk n TYR 99 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 3npk s ASP 100 N 0.47 -0.12 0.22 7.72 1.47 -1.18 -4.94 116.67 120.32 3npk s ASP 100 Ca 0.00 -0.57 -0.06 0.00 1.18 0.00 0.00 52.55 53.09 3npk s ASP 100 Cb 0.00 0.55 0.18 0.00 -0.34 0.00 0.00 42.92 43.31 3npk s ASP 100 CO 0.00 -1.05 1.73 -0.33 0.68 0.00 0.00 175.17 176.20 3npk h GLU 101 N 2.00 1.05 -0.42 2.11 5.08 -1.87 -2.17 114.58 120.35 3npk h GLU 101 Ca -0.25 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 57.90 3npk h GLU 101 Cb 1.23 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 3npk h GLU 101 CO 0.30 0.95 0.15 1.15 -1.00 0.00 0.00 179.01 180.55 3npk h THR 102 N 0.99 0.87 -0.57 1.13 2.02 -1.96 0.18 112.91 115.56 3npk h THR 102 Ca 0.20 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3npk h THR 102 Cb 0.40 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3npk h THR 102 CO 0.01 0.06 0.31 0.74 0.37 0.00 0.00 175.52 177.01 3npk h THR 103 N 0.31 1.19 -0.36 3.16 2.02 -1.85 -0.56 112.91 116.82 3npk h THR 103 Ca 0.20 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3npk h THR 103 Cb 0.18 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3npk h THR 103 CO -0.20 0.21 0.20 0.00 0.37 0.00 0.00 175.52 176.10 3npk h ALA 104 N 1.14 0.46 0.05 6.16 0.00 -0.86 0.18 119.26 126.39 3npk h ALA 104 Ca 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3npk h ALA 104 Cb 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3npk h ALA 104 CO -0.03 -0.02 -0.04 0.82 0.00 0.00 0.00 179.25 179.98 3npk h ILE 105 N 0.46 0.92 -0.22 0.00 2.04 -0.68 -2.01 117.51 118.02 3npk h ILE 105 Ca 0.13 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.85 3npk h ILE 105 Cb 0.04 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3npk h ILE 105 CO -0.02 0.00 -0.43 -0.07 0.00 0.00 0.00 178.15 177.63 3npk h LEU 106 N -0.09 0.56 -0.46 1.44 3.38 -0.91 -0.86 115.31 118.37 3npk h LEU 106 Ca -0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3npk h LEU 106 Cb 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3npk h LEU 106 CO 0.00 0.92 0.23 0.58 0.09 0.00 0.00 178.44 180.27 3npk h VAL 107 N 0.43 1.18 -0.57 1.22 2.07 -0.62 0.12 116.25 120.09 3npk h VAL 107 Ca 0.03 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.08 3npk h VAL 107 Cb 0.93 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3npk h VAL 107 CO 0.08 0.19 0.36 1.23 0.02 0.00 0.00 177.57 179.45 3npk h GLY 108 N 0.60 0.80 0.87 2.17 0.00 -1.07 -0.74 103.07 105.72 3npk h GLY 108 Ca 0.16 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.23 3npk h GLY 108 CO -0.02 0.26 0.24 -0.55 0.00 0.00 0.00 176.54 176.46 3npk h ASP 109 N 0.73 0.38 -0.57 0.19 3.32 -0.85 -1.23 116.42 118.38 3npk h ASP 109 Ca 0.22 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.32 3npk h ASP 109 Cb -0.04 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 3npk h ASP 109 CO -0.07 0.27 0.31 0.00 -1.72 0.00 0.00 179.24 178.03 3npk h ALA 110 N 1.19 0.74 -0.21 3.45 0.00 -0.35 -2.27 119.26 121.81 3npk h ALA 110 Ca 0.17 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 3npk h ALA 110 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3npk h ALA 110 CO -0.09 -0.02 -0.46 -0.07 0.00 0.00 0.00 179.25 178.61 3npk h LEU 111 N 0.59 0.60 0.33 0.00 3.38 -0.69 0.19 115.31 119.70 3npk h LEU 111 Ca 0.25 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3npk h LEU 111 Cb 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3npk h LEU 111 CO -0.16 0.97 -0.30 -1.13 0.09 0.00 0.00 178.44 177.92 3npk h ASN 112 N 0.44 -0.80 -0.49 -0.43 -0.73 -1.05 -1.74 115.58 110.78 3npk h ASN 112 Ca 0.03 0.07 -0.08 0.00 1.87 0.00 0.00 56.30 58.19 3npk h ASN 112 Cb 0.98 0.27 -0.02 0.00 0.27 0.00 0.00 38.32 39.81 3npk h ASN 112 CO 0.09 -0.44 0.03 0.74 -0.37 0.00 0.00 177.43 177.48 3npk h THR 113 N -0.65 1.25 0.00 -3.57 2.02 -1.28 -2.91 112.91 107.77 3npk h THR 113 Ca -0.02 -1.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.08 3npk h THR 113 Cb 0.58 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3npk h THR 113 CO -0.04 0.37 -0.23 -0.08 0.37 0.00 0.00 175.52 175.91 3npk h GLU 114 N 0.84 0.00 -0.94 6.66 4.57 -0.45 -1.62 114.58 123.65 3npk h GLU 114 Ca 0.16 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.40 3npk h GLU 114 Cb 0.46 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.99 3npk h GLU 114 CO 0.02 0.23 0.60 0.00 -1.18 0.00 0.00 179.01 178.68 3npk h ALA 115 N 1.77 1.28 -0.05 2.92 0.00 -1.10 0.38 119.26 124.45 3npk h ALA 115 Ca -0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 3npk h ALA 115 Cb 0.53 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3npk h ALA 115 CO 0.03 0.40 -0.78 0.74 0.00 0.00 0.00 179.25 179.64 3npk h PHE 116 N 1.11 0.51 -0.17 0.00 0.04 -1.41 -0.97 116.94 116.04 3npk h PHE 116 Ca 0.40 -0.24 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 3npk h PHE 116 Cb 0.13 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 3npk h PHE 116 CO -0.01 1.01 0.11 1.25 -0.60 0.00 0.00 178.31 180.06 3npk h LEU 117 N 0.24 0.21 -0.49 1.54 5.85 -1.05 -0.80 115.31 120.81 3npk h LEU 117 Ca -0.04 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3npk h LEU 117 Cb 1.37 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 3npk h LEU 117 CO 0.13 0.19 0.22 0.58 -0.34 0.00 0.00 178.44 179.22 3npk h VAL 118 N 0.21 1.20 -0.63 1.05 2.07 -0.89 -2.25 116.25 117.01 3npk h VAL 118 Ca 0.06 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3npk h VAL 118 Cb 0.02 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3npk h VAL 118 CO -0.01 0.23 0.28 0.25 0.02 0.00 0.00 177.57 178.34 3npk h LEU 119 N 0.65 0.84 -1.71 2.57 6.46 -1.09 -2.49 115.31 120.54 3npk h LEU 119 Ca 0.17 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 3npk h LEU 119 Cb 0.16 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 3npk h LEU 119 CO -0.02 0.75 -0.11 0.77 -0.62 0.00 0.00 178.44 179.21 3npk h SER 120 N 0.87 0.00 -0.17 1.25 4.64 -0.84 -2.26 113.55 117.04 3npk h SER 120 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3npk h SER 120 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3npk h SER 120 CO -0.02 0.11 0.00 1.41 -0.87 0.00 0.00 176.83 177.46 3npk n HIS 121 N -3.41 0.21 -1.73 4.77 8.25 -0.87 -4.98 115.22 117.45 3npk n HIS 121 Ca -0.01 -0.10 -0.36 0.00 -0.26 0.00 0.00 57.72 56.99 3npk n HIS 121 Cb 0.29 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.46 3npk n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3npk s ALA 122 N -1.79 2.35 -1.30 -1.41 0.00 -0.85 -4.87 121.76 113.87 3npk s ALA 122 Ca 0.34 1.10 -0.11 0.00 0.00 0.00 0.00 51.96 53.29 3npk s ALA 122 Cb 0.20 -3.51 0.15 0.00 0.00 0.00 0.00 23.12 19.95 3npk s ALA 122 CO 0.30 -1.58 1.88 0.72 0.00 0.00 0.00 175.76 177.08 3npk n HIS 123 N -2.03 3.29 -4.05 0.00 8.25 -1.26 -4.86 115.22 114.56 3npk n HIS 123 Ca 0.15 -2.88 -0.08 0.00 -0.26 0.00 0.00 57.72 54.65 3npk n HIS 123 Cb 0.49 -2.08 -0.10 0.00 1.12 0.00 0.00 29.99 29.42 3npk n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3npk s LEU 124 N 0.50 2.37 0.47 2.41 1.43 -1.26 -4.88 118.68 119.72 3npk s LEU 124 Ca 0.41 -0.87 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 3npk s LEU 124 Cb 0.09 0.22 -0.09 0.00 0.03 0.00 0.00 46.19 46.45 3npk s LEU 124 CO -0.01 -0.54 1.16 0.29 0.23 0.00 0.00 176.35 177.48 3npk n LYS 125 N 0.43 1.56 -0.29 1.70 5.02 -1.26 -4.76 118.16 120.57 3npk n LYS 125 Ca -0.16 0.56 0.08 0.00 -2.02 0.00 0.00 58.31 56.77 3npk n LYS 125 Cb 0.60 -2.27 0.30 0.00 -0.02 0.00 0.00 35.03 33.64 3npk n LYS 125 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3npk h ASP 126 N 1.58 0.79 -0.84 4.39 3.32 -1.99 -0.84 116.42 122.84 3npk h ASP 126 Ca -0.47 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3npk h ASP 126 Cb 1.32 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 3npk h ASP 126 CO 0.57 0.45 0.54 -0.08 -1.72 0.00 0.00 179.24 179.01 3npk h GLU 127 N 0.87 1.11 -0.33 3.56 4.81 -2.00 -0.80 114.58 121.79 3npk h GLU 127 Ca 0.42 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 3npk h GLU 127 Cb 0.45 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3npk h GLU 127 CO -0.19 0.75 -0.07 0.82 -0.73 0.00 0.00 179.01 179.59 3npk h ILE 128 N 1.14 1.28 -0.63 2.32 2.04 -1.62 -2.75 117.51 119.29 3npk h ILE 128 Ca 0.30 -1.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 3npk h ILE 128 Cb -0.11 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3npk h ILE 128 CO -0.06 0.37 0.24 0.11 0.00 0.00 0.00 178.15 178.80 3npk h LYS 129 N 0.42 0.93 -0.57 2.37 1.57 -0.75 -0.43 116.57 120.11 3npk h LYS 129 Ca 0.08 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3npk h LYS 129 Cb 0.57 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3npk h LYS 129 CO 0.03 0.77 0.19 0.82 -0.57 0.00 0.00 179.45 180.69 3npk h ILE 130 N 0.91 1.24 -0.53 1.86 1.08 -1.14 -0.10 117.51 120.82 3npk h ILE 130 Ca 0.21 -0.79 0.01 0.00 -0.39 0.00 0.00 64.86 63.90 3npk h ILE 130 Cb 0.20 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 3npk h ILE 130 CO -0.02 0.30 0.35 0.11 -0.69 0.00 0.00 178.15 178.20 3npk h LYS 131 N 0.80 0.70 -0.77 2.37 1.57 -1.08 -0.91 116.57 119.25 3npk h LYS 131 Ca 0.19 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3npk h LYS 131 Cb 0.27 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3npk h LYS 131 CO -0.01 0.47 0.37 -0.07 -0.57 0.00 0.00 179.45 179.64 3npk h LEU 132 N 0.72 1.01 -0.62 2.94 3.38 -0.76 -1.19 115.31 120.79 3npk h LEU 132 Ca 0.20 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3npk h LEU 132 Cb -0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 3npk h LEU 132 CO -0.04 0.86 0.09 0.40 0.09 0.00 0.00 178.44 179.84 3npk h ILE 133 N 1.09 1.26 -0.58 1.22 2.04 -0.73 -0.26 117.51 121.55 3npk h ILE 133 Ca 0.26 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.11 3npk h ILE 133 Cb 0.12 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3npk h ILE 133 CO -0.03 0.38 0.37 0.11 0.00 0.00 0.00 178.15 178.97 3npk h LYS 134 N 0.94 0.72 -0.28 2.37 1.57 -0.85 0.03 116.57 121.07 3npk h LYS 134 Ca 0.19 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3npk h LYS 134 Cb 0.45 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3npk h LYS 134 CO 0.01 0.48 0.00 1.15 -0.57 0.00 0.00 179.45 180.52 3npk h THR 135 N 0.74 1.26 -0.21 -0.16 2.02 -0.93 -1.76 112.91 113.87 3npk h THR 135 Ca 0.22 -0.92 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 3npk h THR 135 Cb -0.04 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3npk h THR 135 CO -0.07 0.29 -0.03 0.25 0.37 0.00 0.00 175.52 176.33 3npk h LEU 136 N 0.28 0.40 -0.93 2.58 5.85 -0.91 -1.98 115.31 120.60 3npk h LEU 136 Ca 0.08 -0.35 -0.11 0.00 0.84 0.00 0.00 57.88 58.34 3npk h LEU 136 Cb 0.42 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3npk h LEU 136 CO 0.01 0.66 -0.41 0.00 -0.34 0.00 0.00 178.44 178.36 3npk h ALA 137 N 0.76 1.09 0.22 1.25 0.00 -0.99 0.88 119.26 122.47 3npk h ALA 137 Ca 0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3npk h ALA 137 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3npk h ALA 137 CO 0.02 0.59 -0.11 0.35 0.00 0.00 0.00 179.25 180.10 3npk h PHE 138 N 0.21 -0.28 0.00 0.00 3.04 -1.31 -2.26 116.94 116.35 3npk h PHE 138 Ca 0.02 -0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.83 3npk h PHE 138 Cb 0.82 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.40 3npk h PHE 138 CO 0.02 0.04 -0.64 -0.91 -2.02 0.00 0.00 178.31 174.79 3npk h ASN 139 N -0.61 0.00 0.79 0.41 2.35 -1.22 -3.13 115.58 114.17 3npk h ASN 139 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3npk h ASN 139 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3npk h ASN 139 CO 0.05 0.64 -0.73 0.00 -1.65 0.00 0.00 177.43 175.74 3npk h ALA 140 N 1.36 0.52 -3.00 -0.83 0.00 -0.93 -3.35 119.26 113.02 3npk h ALA 140 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3npk h ALA 140 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3npk h ALA 140 CO 0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.74 3npk n GLY 141 N 1.33 1.84 0.31 0.00 0.00 -0.85 -3.75 105.19 104.06 3npk n GLY 141 Ca 0.03 -1.88 0.18 0.00 0.00 0.00 0.00 46.02 44.35 3npk n GLY 141 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3npk h LEU 142 N 0.00 0.00 -0.01 0.99 8.10 -1.80 -0.81 115.31 121.78 3npk h LEU 142 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3npk h LEU 142 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 3npk h LEU 142 CO 0.00 0.03 -0.00 0.59 -4.11 0.00 0.00 178.44 174.95 3npk n ASN 143 N -3.37 0.01 0.00 0.17 3.02 -1.24 -3.84 115.26 110.02 3npk n ASN 143 Ca -0.02 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3npk n ASN 143 Cb 0.14 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 3npk n ASN 143 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3npk n GLY 144 N 1.09 0.00 0.00 7.41 0.00 -0.44 -4.84 105.19 108.41 3npk n GLY 144 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3npk n GLY 144 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3npk n VAL 146 N -0.43 0.00 -0.01 1.61 0.31 -0.46 -1.56 118.33 117.80 3npk n VAL 146 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 3npk n VAL 146 Cb 0.00 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.12 3npk n VAL 146 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 3npk h ILE 147 N 0.00 1.26 -0.38 2.52 6.09 -1.69 -0.43 117.51 124.88 3npk h ILE 147 Ca 0.00 -1.24 0.03 0.00 -1.37 0.00 0.00 64.86 62.28 3npk h ILE 147 Cb 0.00 1.28 -0.03 0.00 0.47 0.00 0.00 36.82 38.54 3npk h ILE 147 CO 0.00 0.40 0.19 1.23 -3.07 0.00 0.00 178.15 176.90 3npk h GLY 148 N 1.00 0.52 1.12 8.18 0.00 -1.52 -0.65 103.07 111.71 3npk h GLY 148 Ca 0.07 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 3npk h GLY 148 CO 0.05 0.10 -0.05 -1.61 0.00 0.00 0.00 176.54 175.03 3npk h GLN 149 N 0.40 1.05 -0.63 4.80 5.75 -1.76 -0.10 115.11 124.61 3npk h GLN 149 Ca 0.16 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 3npk h GLN 149 Cb 0.07 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 3npk h GLN 149 CO -0.11 1.05 0.36 0.00 -2.65 0.00 0.00 178.83 177.48 3npk h ALA 150 N 0.99 0.81 -0.29 3.38 0.00 -0.85 0.00 119.26 123.30 3npk h ALA 150 Ca 0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3npk h ALA 150 Cb 0.61 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3npk h ALA 150 CO 0.04 0.31 0.07 0.82 0.00 0.00 0.00 179.25 180.48 3npk h ILE 151 N 0.86 1.22 -0.47 0.00 2.04 -0.98 -0.63 117.51 119.55 3npk h ILE 151 Ca 0.22 -0.74 0.06 0.00 1.00 0.00 0.00 64.86 65.40 3npk h ILE 151 Cb 0.01 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 3npk h ILE 151 CO -0.04 0.24 0.19 -0.78 0.00 0.00 0.00 178.15 177.76 3npk h ASP 152 N 0.30 0.22 -0.18 1.72 3.58 -0.63 -0.35 116.42 121.08 3npk h ASP 152 Ca 0.09 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 3npk h ASP 152 Cb 0.30 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 3npk h ASP 152 CO 0.00 0.16 -0.01 0.00 -2.88 0.00 0.00 179.24 176.51 3npk h PHE 154 N 0.06 0.73 -0.70 0.00 3.57 -0.85 -3.11 116.94 116.64 3npk h PHE 154 Ca 0.05 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.38 3npk h PHE 154 Cb 0.41 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3npk h PHE 154 CO 0.04 0.83 0.00 1.19 -2.23 0.00 0.00 178.31 178.14 3npk n PHE 155 N -4.11 1.05 -0.26 0.41 3.72 -0.17 -4.42 117.46 113.68 3npk n PHE 155 Ca -0.00 -0.50 0.15 0.00 -0.05 0.00 0.00 57.45 57.05 3npk n PHE 155 Cb 0.43 -0.04 0.43 0.00 -0.94 0.00 0.00 39.48 39.35 3npk n PHE 155 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 3npk h GLU 156 N 4.14 0.56 -0.36 -1.08 4.11 -1.31 -1.58 114.58 119.05 3npk h GLU 156 Ca 0.00 -0.03 -0.12 0.00 0.07 0.00 0.00 59.36 59.27 3npk h GLU 156 Cb 1.04 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.09 3npk h GLU 156 CO 0.04 0.37 0.01 -0.40 0.07 0.00 0.00 179.01 179.10 3npk n ASP 157 N -4.56 3.25 -4.17 3.06 5.75 -1.26 -4.67 116.55 113.95 3npk n ASP 157 Ca 0.19 -3.41 -0.13 0.00 -0.01 0.00 0.00 54.79 51.42 3npk n ASP 157 Cb 0.57 -0.61 -0.11 0.00 -1.03 0.00 0.00 41.12 39.95 3npk n ASP 157 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3npk s LYS 158 N -3.06 0.83 -0.10 0.11 1.02 -0.60 -5.13 119.74 112.82 3npk s LYS 158 Ca 0.45 -1.19 -0.28 0.00 0.02 0.00 0.00 55.97 54.96 3npk s LYS 158 Cb 0.38 -0.43 -0.02 0.00 -0.52 0.00 0.00 37.83 37.24 3npk s LYS 158 CO 0.05 0.05 0.93 0.50 -0.92 0.00 0.00 175.35 175.97 3npk s ARG 159 N -3.03 4.42 0.07 1.68 3.52 -1.26 -4.78 118.95 119.57 3npk s ARG 159 Ca 0.07 1.27 0.04 0.00 -0.13 0.00 0.00 55.73 56.97 3npk s ARG 159 Cb -0.01 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 3npk s ARG 159 CO -0.01 -0.23 0.01 -0.51 -0.81 0.00 0.00 175.30 173.75 3npk s LEU 160 N 1.74 3.52 0.80 -0.88 1.43 -1.26 -5.13 118.68 118.90 3npk s LEU 160 Ca 0.46 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 3npk s LEU 160 Cb -0.18 -2.19 0.07 0.00 0.03 0.00 0.00 46.19 43.92 3npk s LEU 160 CO 0.19 0.20 1.17 -0.94 0.23 0.00 0.00 176.35 177.19 3npk s SER 161 N -2.15 4.62 0.13 2.29 1.04 -1.26 -4.86 113.70 113.51 3npk s SER 161 Ca 0.25 0.84 -0.18 0.00 0.48 0.00 0.00 55.95 57.33 3npk s SER 161 Cb -0.12 -1.38 -0.03 0.00 0.10 0.00 0.00 66.02 64.59 3npk s SER 161 CO 0.17 -1.84 1.78 0.25 0.98 0.00 0.00 173.24 174.58 3npk h LEU 162 N -1.01 0.23 -1.15 2.42 6.46 -1.99 -0.02 115.31 120.25 3npk h LEU 162 Ca -0.46 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.30 3npk h LEU 162 Cb 1.32 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 41.16 3npk h LEU 162 CO 0.66 0.17 0.48 0.78 -0.62 0.00 0.00 178.44 179.91 3npk h ASN 163 N 0.30 0.93 -0.48 1.25 2.35 -1.99 0.07 115.58 118.00 3npk h ASN 163 Ca 0.10 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 3npk h ASN 163 Cb 0.00 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3npk h ASN 163 CO -0.05 0.71 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.99 3npk h GLU 164 N 1.07 0.93 -0.61 0.81 5.08 -1.84 -0.76 114.58 119.27 3npk h GLU 164 Ca 0.28 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3npk h GLU 164 Cb -0.06 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3npk h GLU 164 CO -0.05 1.02 0.10 1.25 -1.00 0.00 0.00 179.01 180.33 3npk h LEU 165 N 0.78 0.96 -0.64 1.33 5.85 -0.55 -0.06 115.31 122.98 3npk h LEU 165 Ca 0.12 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3npk h LEU 165 Cb 0.67 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3npk h LEU 165 CO 0.05 0.97 0.43 -0.33 -0.34 0.00 0.00 178.44 179.21 3npk h GLU 166 N 0.91 0.84 -0.20 1.25 5.08 -0.85 -2.04 114.58 119.57 3npk h GLU 166 Ca 0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3npk h GLU 166 Cb 0.42 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3npk h GLU 166 CO 0.01 0.56 0.13 0.35 -1.00 0.00 0.00 179.01 179.05 3npk h PHE 167 N 0.87 0.25 -0.03 4.33 3.04 -0.73 -0.39 116.94 124.28 3npk h PHE 167 Ca 0.24 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.23 3npk h PHE 167 Cb -0.09 -0.08 -0.06 0.00 2.56 0.00 0.00 35.95 38.28 3npk h PHE 167 CO -0.03 0.17 -0.37 1.25 -2.02 0.00 0.00 178.31 177.32 3npk h LEU 168 N 0.26 -1.11 -0.53 0.59 6.46 -0.73 -1.82 115.31 118.42 3npk h LEU 168 Ca 0.07 0.14 -0.16 0.00 -0.12 0.00 0.00 57.88 57.82 3npk h LEU 168 Cb -0.01 0.45 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 3npk h LEU 168 CO -0.01 -0.41 -0.56 0.45 -0.62 0.00 0.00 178.44 177.28 3npk h HIS 169 N -0.51 0.65 -0.62 1.25 3.86 -1.24 0.80 115.15 119.34 3npk h HIS 169 Ca 0.06 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 3npk h HIS 169 Cb 0.60 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 3npk h HIS 169 CO -0.39 0.96 0.33 1.15 0.86 0.00 0.00 177.93 180.83 3npk h THR 170 N 0.40 1.19 0.13 2.45 2.02 -0.89 -1.91 112.91 116.31 3npk h THR 170 Ca 0.01 -0.50 -0.21 0.00 0.77 0.00 0.00 66.41 66.48 3npk h THR 170 Cb 1.10 0.36 0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3npk h THR 170 CO 0.10 0.22 -0.95 0.45 0.37 0.00 0.00 175.52 175.71 3npk h HIS 171 N 0.87 0.52 -0.38 3.16 3.86 -1.04 -0.26 115.15 121.87 3npk h HIS 171 Ca 0.22 -0.38 -0.04 0.00 -1.16 0.00 0.00 60.37 59.02 3npk h HIS 171 Cb 0.04 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 3npk h HIS 171 CO 0.01 1.37 0.10 -0.22 0.86 0.00 0.00 177.93 180.04 3npk h LYS 172 N -0.36 0.60 0.00 2.45 3.64 -0.75 -3.39 116.57 118.75 3npk h LYS 172 Ca -0.18 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3npk h LYS 172 Cb 1.67 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 3npk h LYS 172 CO 0.13 0.63 -0.79 0.25 -2.27 0.00 0.00 179.45 177.40 3npk n THR 173 N -4.59 0.00 -0.00 1.00 -2.24 -0.76 -4.84 114.28 102.84 3npk n THR 173 Ca -0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.67 3npk n THR 173 Cb 0.20 -0.66 0.04 0.00 -2.10 0.00 0.00 70.33 67.81 3npk n THR 173 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3npk h ALA 174 N 0.00 0.67 -0.54 6.98 0.00 -1.17 -3.04 119.26 122.16 3npk h ALA 174 Ca 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 3npk h ALA 174 Cb 0.79 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3npk h ALA 174 CO 0.00 0.69 0.10 0.00 0.00 0.00 0.00 179.25 180.04 3npk h ARG 175 N 0.44 0.84 -0.17 0.00 3.08 -1.24 -0.20 114.38 117.13 3npk h ARG 175 Ca 0.01 -0.18 -0.14 0.00 0.07 0.00 0.00 59.98 59.73 3npk h ARG 175 Cb 1.11 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 3npk h ARG 175 CO 0.11 0.77 -0.49 1.25 -1.07 0.00 0.00 179.97 180.54 3npk h LEU 176 N 0.80 0.49 -0.21 3.04 5.85 -1.74 0.88 115.31 124.41 3npk h LEU 176 Ca 0.17 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3npk h LEU 176 Cb 0.33 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3npk h LEU 176 CO 0.00 0.90 0.06 0.40 -0.34 0.00 0.00 178.44 179.46 3npk h ILE 177 N 0.36 1.20 -0.91 4.05 2.04 -1.35 -1.44 117.51 121.46 3npk h ILE 177 Ca 0.02 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.28 3npk h ILE 177 Cb 0.98 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 3npk h ILE 177 CO 0.09 0.20 0.59 0.00 0.00 0.00 0.00 178.15 179.02 3npk h ALA 178 N 0.88 1.20 -0.81 1.87 0.00 -0.92 -2.40 119.26 119.07 3npk h ALA 178 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3npk h ALA 178 Cb 0.25 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3npk h ALA 178 CO -0.00 0.45 0.42 0.00 0.00 0.00 0.00 179.25 180.12 3npk h ALA 179 N 1.37 1.22 -0.36 0.00 0.00 -0.59 -0.10 119.26 120.80 3npk h ALA 179 Ca 0.36 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3npk h ALA 179 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3npk h ALA 179 CO -0.12 0.62 0.22 0.00 0.00 0.00 0.00 179.25 179.97 3npk h ALA 180 N 1.32 0.45 -0.24 0.00 0.00 -0.76 -2.71 119.26 117.33 3npk h ALA 180 Ca 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3npk h ALA 180 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3npk h ALA 180 CO -0.04 -0.12 0.08 -0.07 0.00 0.00 0.00 179.25 179.10 3npk h LEU 181 N 0.44 0.33 -2.27 0.00 3.38 -1.26 -2.45 115.31 113.49 3npk h LEU 181 Ca 0.14 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3npk h LEU 181 Cb -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3npk h LEU 181 CO -0.06 0.43 0.00 1.17 0.09 0.00 0.00 178.44 180.07 3npk n LYS 182 N -4.78 0.18 0.00 1.13 4.81 -0.08 -2.23 118.16 117.19 3npk n LYS 182 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 3npk n LYS 182 Cb 0.14 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 33.78 3npk n LYS 182 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3npk n GLY 184 N 1.06 0.00 0.29 3.14 0.00 -0.92 -0.72 105.19 108.04 3npk n GLY 184 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3npk n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3npk h GLU 186 N 0.89 1.10 -0.90 0.00 5.08 -1.22 -0.85 114.58 118.69 3npk h GLU 186 Ca 0.19 -0.33 0.12 0.00 -1.00 0.00 0.00 59.36 58.34 3npk h GLU 186 Cb 0.37 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 3npk h GLU 186 CO 0.00 1.05 0.52 0.82 -1.00 0.00 0.00 179.01 180.40 3npk h ILE 187 N 1.01 0.86 -0.00 3.13 2.04 -1.80 -1.60 117.51 121.14 3npk h ILE 187 Ca 0.18 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3npk h ILE 187 Cb 0.53 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3npk h ILE 187 CO 0.03 0.15 -0.05 0.00 0.00 0.00 0.00 178.15 178.28 3npk n GLU 189 N -0.85 -6.49 -2.17 0.00 1.02 -0.45 -4.95 120.64 106.75 3npk n GLU 189 Ca 0.18 0.69 -0.38 0.00 -0.02 0.00 0.00 57.16 57.63 3npk n GLU 189 Cb 0.24 -5.65 -0.00 0.00 -0.02 0.00 0.00 31.44 26.00 3npk n GLU 189 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3npk s LEU 190 N -7.30 4.04 0.76 -4.62 2.96 -0.47 -4.97 118.68 109.09 3npk s LEU 190 Ca 0.64 2.42 -0.15 0.00 -0.22 0.00 0.00 54.13 56.82 3npk s LEU 190 Cb -0.30 -4.17 0.02 0.00 0.50 0.00 0.00 46.19 42.24 3npk s LEU 190 CO 0.79 -0.97 0.94 -0.46 -1.32 0.00 0.00 176.35 175.33 3npk n ASN 191 N -0.41 0.26 0.06 3.68 6.94 -1.26 -4.76 115.26 119.77 3npk n ASN 191 Ca 0.07 0.61 0.04 0.00 -0.02 0.00 0.00 54.58 55.28 3npk n ASN 191 Cb 0.47 -1.40 0.43 0.00 -2.36 0.00 0.00 39.78 36.92 3npk n ASN 191 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 3npk h ASN 192 N -0.53 0.37 0.03 0.53 -0.26 -1.98 -1.72 115.58 112.01 3npk h ASN 192 Ca -0.47 -0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.24 3npk h ASN 192 Cb 1.32 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 3npk h ASN 192 CO 0.45 0.34 -0.01 -0.33 -1.06 0.00 0.00 177.43 176.82 3npk h GLU 193 N 0.41 -0.03 -0.13 0.81 3.07 -1.99 0.48 114.58 117.20 3npk h GLU 193 Ca 0.10 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.82 3npk h GLU 193 Cb 0.09 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 3npk h GLU 193 CO -0.01 0.18 -0.54 0.93 -1.40 0.00 0.00 179.01 178.17 3npk h GLU 194 N -0.24 0.37 -0.70 2.33 5.08 -1.92 -2.38 114.58 117.13 3npk h GLU 194 Ca -0.00 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 3npk h GLU 194 Cb 0.23 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 3npk h GLU 194 CO 0.01 0.82 0.26 0.77 -1.00 0.00 0.00 179.01 179.87 3npk h SER 195 N 0.29 0.97 -0.27 1.42 0.02 -1.15 -1.23 113.55 113.60 3npk h SER 195 Ca 0.01 -0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 60.66 3npk h SER 195 Cb 1.04 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 3npk h SER 195 CO 0.09 0.89 -0.23 0.78 -1.14 0.00 0.00 176.83 177.23 3npk h ASN 196 N 1.00 0.76 -0.82 3.07 -0.26 -0.79 -1.30 115.58 117.23 3npk h ASN 196 Ca 0.23 -0.27 -0.04 0.00 -0.56 0.00 0.00 56.30 55.66 3npk h ASN 196 Cb 0.23 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.25 3npk h ASN 196 CO -0.02 0.96 0.36 1.56 -1.06 0.00 0.00 177.43 179.24 3npk h GLN 197 N 0.65 1.21 -0.21 0.81 4.20 -1.10 -1.83 115.11 118.84 3npk h GLN 197 Ca 0.09 -0.20 -0.18 0.00 0.06 0.00 0.00 58.65 58.43 3npk h GLN 197 Cb 0.73 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 3npk h GLN 197 CO 0.06 0.95 -0.59 0.82 -0.67 0.00 0.00 178.83 179.40 3npk h ILE 198 N 1.19 1.31 -0.49 2.54 2.04 -0.94 -1.44 117.51 121.71 3npk h ILE 198 Ca 0.28 -1.82 0.03 0.00 1.00 0.00 0.00 64.86 64.35 3npk h ILE 198 Cb 0.17 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 3npk h ILE 198 CO -0.03 0.58 0.27 0.22 0.00 0.00 0.00 178.15 179.18 3npk h TYR 199 N 0.50 0.49 -0.37 1.37 3.20 -1.10 -1.33 116.97 119.73 3npk h TYR 199 Ca 0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 3npk h TYR 199 Cb 1.16 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 3npk h TYR 199 CO 0.06 0.26 0.07 0.87 -1.64 0.00 0.00 178.16 177.78 3npk h LYS 200 N 0.53 0.55 -0.56 1.82 1.57 -1.08 -1.49 116.57 117.91 3npk h LYS 200 Ca 0.21 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3npk h LYS 200 Cb 0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3npk h LYS 200 CO -0.12 0.52 0.16 1.25 -0.57 0.00 0.00 179.45 180.69 3npk h LEU 201 N 0.54 0.82 -0.93 2.94 5.85 -0.78 -2.15 115.31 121.59 3npk h LEU 201 Ca 0.12 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.70 3npk h LEU 201 Cb 0.24 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 3npk h LEU 201 CO -0.00 0.82 0.58 1.23 -0.34 0.00 0.00 178.44 180.73 3npk h GLY 202 N 0.78 1.42 1.01 3.75 0.00 -0.37 -0.58 103.07 109.09 3npk h GLY 202 Ca 0.18 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3npk h GLY 202 CO -0.00 0.27 0.43 1.41 0.00 0.00 0.00 176.54 178.65 3npk h LEU 203 N 1.04 0.96 -0.47 3.11 3.38 -0.94 -1.03 115.31 121.35 3npk h LEU 203 Ca 0.41 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.22 3npk h LEU 203 Cb 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3npk h LEU 203 CO -0.19 0.77 0.02 0.50 0.09 0.00 0.00 178.44 179.63 3npk h LYS 204 N 1.06 0.82 -0.59 1.13 3.64 -0.74 -2.19 116.57 119.71 3npk h LYS 204 Ca 0.27 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3npk h LYS 204 Cb 0.02 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3npk h LYS 204 CO -0.04 0.86 0.36 -0.07 -2.27 0.00 0.00 179.45 178.29 3npk h LEU 205 N 0.68 0.70 -0.51 5.20 3.38 -0.80 0.06 115.31 124.02 3npk h LEU 205 Ca 0.14 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3npk h LEU 205 Cb 0.48 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3npk h LEU 205 CO 0.02 0.54 0.25 1.23 0.09 0.00 0.00 178.44 180.57 3npk h GLY 206 N 0.79 0.71 0.91 0.83 0.00 -1.00 -0.40 103.07 104.91 3npk h GLY 206 Ca 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 3npk h GLY 206 CO -0.04 0.10 0.10 -2.00 0.00 0.00 0.00 176.54 174.70 3npk h LEU 207 N 0.49 0.47 -0.69 3.11 5.85 -0.99 -2.68 115.31 120.86 3npk h LEU 207 Ca 0.23 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.81 3npk h LEU 207 Cb 0.14 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 3npk h LEU 207 CO -0.16 0.56 0.36 0.40 -0.34 0.00 0.00 178.44 179.25 3npk h ILE 208 N 0.36 0.90 -0.82 4.05 2.04 -0.59 -1.16 117.51 122.29 3npk h ILE 208 Ca 0.10 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 3npk h ILE 208 Cb 0.26 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3npk h ILE 208 CO -0.00 0.12 0.39 -0.26 0.00 0.00 0.00 178.15 178.40 3npk h PHE 209 N 0.63 1.18 -0.29 1.37 0.04 -0.87 -0.32 116.94 118.68 3npk h PHE 209 Ca 0.32 -0.06 -0.18 0.00 2.80 0.00 0.00 57.97 60.85 3npk h PHE 209 Cb 0.28 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 3npk h PHE 209 CO -0.10 0.85 -0.54 1.96 -0.60 0.00 0.00 178.31 179.89 3npk h GLN 210 N 1.16 0.86 -0.51 1.51 1.08 -1.09 -1.42 115.11 116.70 3npk h GLN 210 Ca 0.28 -0.54 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 3npk h GLN 210 Cb 0.12 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 3npk h GLN 210 CO -0.04 1.17 0.25 0.82 -0.95 0.00 0.00 178.83 180.09 3npk h ILE 211 N 0.66 1.19 -0.79 2.54 2.04 -1.02 -1.87 117.51 120.27 3npk h ILE 211 Ca 0.02 -0.54 0.07 0.00 1.00 0.00 0.00 64.86 65.41 3npk h ILE 211 Cb 1.14 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 3npk h ILE 211 CO 0.12 0.21 0.46 -1.13 0.00 0.00 0.00 178.15 177.81 3npk h ASN 212 N 0.68 0.69 -0.56 1.72 -1.24 -0.92 -1.18 115.58 114.77 3npk h ASN 212 Ca 0.18 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.21 3npk h ASN 212 Cb 0.11 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.03 3npk h ASN 212 CO -0.02 0.42 0.31 0.44 -1.29 0.00 0.00 177.43 177.28 3npk h ASP 213 N 0.81 0.71 -0.25 1.15 3.32 -0.88 -0.38 116.42 120.89 3npk h ASP 213 Ca 0.36 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 3npk h ASP 213 Cb 0.25 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3npk h ASP 213 CO -0.21 0.60 0.04 0.44 -1.72 0.00 0.00 179.24 178.39 3npk h ASP 214 N 0.76 0.49 -0.19 6.45 3.32 -0.67 -0.86 116.42 125.71 3npk h ASP 214 Ca 0.20 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 3npk h ASP 214 Cb 0.05 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3npk h ASP 214 CO -0.03 0.53 -0.23 0.40 -1.72 0.00 0.00 179.24 178.19 3npk h ILE 215 N 0.51 1.33 -0.51 0.35 2.04 -0.88 -3.15 117.51 117.21 3npk h ILE 215 Ca 0.11 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 3npk h ILE 215 Cb 0.27 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3npk h ILE 215 CO 0.00 0.43 0.26 0.40 0.00 0.00 0.00 178.15 179.25 3npk h ILE 216 N 0.16 1.16 -0.73 -0.67 2.04 -0.68 -2.51 117.51 116.29 3npk h ILE 216 Ca 0.03 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 3npk h ILE 216 Cb 0.78 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3npk h ILE 216 CO 0.05 0.19 0.36 0.44 0.00 0.00 0.00 178.15 179.19 3npk h ASP 217 N 0.71 0.92 0.94 1.72 3.32 -1.12 -1.97 116.42 120.94 3npk h ASP 217 Ca 0.18 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3npk h ASP 217 Cb 0.05 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.36 3npk h ASP 217 CO -0.03 0.77 -0.23 1.33 -1.72 0.00 0.00 179.24 179.36 3npk n VAL 218 N -4.34 0.17 1.19 -1.35 0.24 -1.02 -5.13 118.33 108.09 3npk n VAL 218 Ca 0.07 -0.10 0.13 0.00 -2.04 0.00 0.00 64.34 62.40 3npk n VAL 218 Cb 0.12 -0.26 0.31 0.00 -1.47 0.00 0.00 33.84 32.54 3npk n VAL 218 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3npk n THR 219 N -1.74 0.04 -0.43 3.34 -1.04 -0.75 -5.13 114.28 108.58 3npk n THR 219 Ca 0.06 -0.40 -0.17 0.00 -2.04 0.00 0.00 64.05 61.50 3npk n THR 219 Cb 0.37 0.96 -0.03 0.00 -1.82 0.00 0.00 70.33 69.82 3npk n THR 219 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3npk n ASN 236 N 0.79 0.29 -3.90 8.00 3.02 -1.26 -4.91 115.26 117.28 3npk n ASN 236 Ca 0.17 0.29 -0.09 0.00 -0.03 0.00 0.00 54.58 54.91 3npk n ASN 236 Cb 0.48 -0.22 -0.09 0.00 -0.61 0.00 0.00 39.78 39.34 3npk n ASN 236 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3npk s SER 237 N 0.82 0.16 0.41 6.41 1.04 -1.26 -5.03 113.70 116.25 3npk s SER 237 Ca 0.27 -0.58 0.13 0.00 0.48 0.00 0.00 55.95 56.25 3npk s SER 237 Cb -0.38 0.27 0.88 0.00 0.10 0.00 0.00 66.02 66.89 3npk s SER 237 CO 0.20 -0.60 1.92 -0.26 0.98 0.00 0.00 173.24 175.49 3npk h PHE 238 N 3.29 0.03 -0.27 5.02 0.04 -1.93 -2.25 116.94 120.87 3npk h PHE 238 Ca -0.33 -0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.29 3npk h PHE 238 Cb 1.19 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.33 3npk h PHE 238 CO 0.50 0.27 -0.39 0.28 -0.60 0.00 0.00 178.31 178.36 3npk h VAL 239 N 0.02 1.30 -0.78 -0.55 2.07 -1.86 -0.39 116.25 116.07 3npk h VAL 239 Ca 0.00 -1.59 -0.03 0.00 0.82 0.00 0.00 66.70 65.91 3npk h VAL 239 Cb 0.45 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 3npk h VAL 239 CO 0.03 0.51 0.37 0.78 0.02 0.00 0.00 177.57 179.28 3npk h ASN 240 N 0.49 1.02 0.06 0.57 2.35 -1.82 0.55 115.58 118.80 3npk h ASN 240 Ca 0.03 -0.14 -0.23 0.00 -0.55 0.00 0.00 56.30 55.41 3npk h ASN 240 Cb 0.99 -0.26 0.02 0.00 0.05 0.00 0.00 38.32 39.12 3npk h ASN 240 CO 0.09 0.87 -0.93 -0.07 -1.65 0.00 0.00 177.43 175.75 3npk h LEU 241 N 1.10 0.71 0.00 1.61 3.38 -1.40 -3.37 115.31 117.33 3npk h LEU 241 Ca 0.27 -0.81 -0.13 0.00 0.09 0.00 0.00 57.88 57.30 3npk h LEU 241 Cb 0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3npk h LEU 241 CO -0.03 1.44 -1.99 0.18 0.09 0.00 0.00 178.44 178.13 3npk n LEU 242 N -4.00 0.16 0.00 1.67 4.77 -0.16 -5.09 117.00 114.34 3npk n LEU 242 Ca -0.12 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3npk n LEU 242 Cb 0.84 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 3npk n LEU 242 CO 0.52 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3npk n GLY 243 N 1.42 -0.77 0.23 -0.72 0.00 0.19 -4.23 105.19 101.31 3npk n GLY 243 Ca -0.13 -1.42 -0.01 0.00 0.00 0.00 0.00 46.02 44.46 3npk n GLY 243 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3npk h LEU 244 N 0.00 0.29 0.01 0.99 5.85 -1.90 0.83 115.31 121.37 3npk h LEU 244 Ca 0.00 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3npk h LEU 244 Cb 0.00 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3npk h LEU 244 CO 0.00 0.18 -0.31 -0.08 -0.34 0.00 0.00 178.44 177.89 3npk h GLU 245 N 0.45 -0.45 -0.02 1.25 4.57 -1.94 -0.42 114.58 118.03 3npk h GLU 245 Ca 0.29 0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.38 3npk h GLU 245 Cb 0.30 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3npk h GLU 245 CO -0.26 -0.30 -0.51 0.37 -1.18 0.00 0.00 179.01 177.13 3npk h GLN 246 N -0.46 0.04 -0.30 1.92 5.75 -1.63 -1.60 115.11 118.82 3npk h GLN 246 Ca 0.06 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 3npk h GLN 246 Cb 0.55 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 3npk h GLN 246 CO -0.25 0.55 0.02 0.00 -2.65 0.00 0.00 178.83 176.49 3npk h ALA 247 N 1.45 0.40 -0.47 3.38 0.00 -0.43 0.86 119.26 124.45 3npk h ALA 247 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3npk h ALA 247 Cb 0.92 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3npk h ALA 247 CO 0.07 0.12 0.22 0.82 0.00 0.00 0.00 179.25 180.48 3npk h ILE 248 N 0.32 1.19 -0.72 0.00 2.04 -0.97 -0.85 117.51 118.52 3npk h ILE 248 Ca 0.09 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 3npk h ILE 248 Cb 0.39 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3npk h ILE 248 CO 0.01 0.21 0.44 0.50 0.00 0.00 0.00 178.15 179.31 3npk h LYS 249 N 0.62 0.96 -0.16 2.37 1.63 -1.13 0.47 116.57 121.33 3npk h LYS 249 Ca 0.16 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.84 3npk h LYS 249 Cb 0.13 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.55 3npk h LYS 249 CO -0.02 0.67 -0.05 1.15 -3.45 0.00 0.00 179.45 177.75 3npk h THR 250 N 0.98 1.29 -0.76 1.00 2.02 -0.39 0.23 112.91 117.29 3npk h THR 250 Ca 0.26 -1.03 0.03 0.00 0.77 0.00 0.00 66.41 66.44 3npk h THR 250 Cb -0.05 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 3npk h THR 250 CO -0.05 0.31 0.48 0.50 0.37 0.00 0.00 175.52 177.12 3npk h LYS 251 N 0.02 0.91 -0.47 6.66 3.64 -0.81 -0.91 116.57 125.62 3npk h LYS 251 Ca 0.04 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 3npk h LYS 251 Cb 0.49 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3npk h LYS 251 CO 0.02 0.60 -0.10 0.93 -2.27 0.00 0.00 179.45 178.64 3npk h GLU 252 N 0.94 0.89 -0.45 1.90 5.08 -0.75 -0.05 114.58 122.13 3npk h GLU 252 Ca 0.30 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3npk h GLU 252 Cb 0.01 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3npk h GLU 252 CO -0.11 0.98 0.25 -0.91 -1.00 0.00 0.00 179.01 178.22 3npk h ASN 253 N 0.73 0.40 -0.62 1.42 2.35 -0.70 -1.20 115.58 117.97 3npk h ASN 253 Ca 0.12 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 3npk h ASN 253 Cb 0.64 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 3npk h ASN 253 CO 0.04 0.28 0.27 -0.07 -1.65 0.00 0.00 177.43 176.31 3npk h LEU 254 N 0.51 0.83 -0.88 1.61 3.38 -0.90 -1.41 115.31 118.44 3npk h LEU 254 Ca 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3npk h LEU 254 Cb 0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3npk h LEU 254 CO -0.10 0.75 0.57 -0.07 0.09 0.00 0.00 178.44 179.68 3npk h LEU 255 N 0.85 1.03 -0.86 1.67 3.38 -0.80 0.04 115.31 120.62 3npk h LEU 255 Ca 0.21 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3npk h LEU 255 Cb 0.16 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3npk h LEU 255 CO -0.02 0.76 0.23 -1.13 0.09 0.00 0.00 178.44 178.37 3npk h ASN 256 N 1.20 1.00 -0.54 -0.43 -0.73 -0.85 0.16 115.58 115.40 3npk h ASN 256 Ca 0.32 -0.17 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 3npk h ASN 256 Cb -0.11 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.19 3npk h ASN 256 CO -0.07 0.92 0.24 -0.33 -0.37 0.00 0.00 177.43 177.83 3npk h GLU 257 N 1.04 0.78 -0.86 6.67 5.08 -0.84 -2.42 114.58 124.04 3npk h GLU 257 Ca 0.23 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 3npk h GLU 257 Cb 0.27 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 3npk h GLU 257 CO -0.01 0.67 0.53 0.00 -1.00 0.00 0.00 179.01 179.19 3npk h GLU 259 N 0.95 0.95 -0.51 0.00 4.81 -0.60 0.17 114.58 120.35 3npk h GLU 259 Ca 0.38 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.46 3npk h GLU 259 Cb 0.20 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3npk h GLU 259 CO -0.18 0.63 -0.06 1.96 -0.73 0.00 0.00 179.01 180.62 3npk h GLN 260 N 0.98 0.94 -0.51 1.92 4.20 -0.90 -2.48 115.11 119.25 3npk h GLN 260 Ca 0.32 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 3npk h GLN 260 Cb 0.02 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3npk h GLN 260 CO -0.12 0.99 0.06 -0.44 -0.67 0.00 0.00 178.83 178.65 3npk h ASP 261 N 0.80 0.78 -0.02 1.46 3.32 -0.55 -2.65 116.42 119.55 3npk h ASP 261 Ca 0.14 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 3npk h ASP 261 Cb 0.60 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3npk h ASP 261 CO 0.04 0.81 -0.27 -0.07 -1.72 0.00 0.00 179.24 178.03 3npk h LEU 262 N 0.78 0.46 -2.66 1.55 3.38 -0.55 -2.32 115.31 115.95 3npk h LEU 262 Ca 0.16 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3npk h LEU 262 Cb 0.39 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3npk h LEU 262 CO 0.01 0.72 -0.01 -0.33 0.09 0.00 0.00 178.44 178.92 3npk h GLU 263 N 0.40 0.00 -0.01 1.13 5.08 -1.07 -1.31 114.58 118.80 3npk h GLU 263 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3npk h GLU 263 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3npk h GLU 263 CO 0.05 0.01 -0.13 1.63 -1.00 0.00 0.00 179.01 179.57 3npk n LYS 264 N -3.23 0.90 -3.08 2.33 4.76 -0.87 -4.87 118.16 114.10 3npk n LYS 264 Ca -0.02 -0.40 -0.23 0.00 -2.87 0.00 0.00 58.31 54.78 3npk n LYS 264 Cb 0.11 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 3npk n LYS 264 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3npk s LEU 265 N -2.38 3.76 0.18 -0.35 1.43 -0.49 -5.04 118.68 115.79 3npk s LEU 265 Ca 0.30 0.38 -0.32 0.00 -1.03 0.00 0.00 54.13 53.46 3npk s LEU 265 Cb 0.20 -3.26 -0.16 0.00 0.03 0.00 0.00 46.19 43.01 3npk s LEU 265 CO 0.46 -0.57 1.16 -3.20 0.23 0.00 0.00 176.35 174.43 3npk n ASN 266 N -2.00 1.37 -0.17 2.29 5.15 -1.26 -4.74 115.26 115.90 3npk n ASN 266 Ca -0.01 1.14 0.08 0.00 -0.60 0.00 0.00 54.58 55.20 3npk n ASN 266 Cb 0.57 -1.23 0.38 0.00 -0.53 0.00 0.00 39.78 38.98 3npk n ASN 266 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 3npk h GLU 267 N 3.31 0.67 -0.31 1.20 4.11 -1.92 0.61 114.58 122.25 3npk h GLU 267 Ca -0.43 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 58.80 3npk h GLU 267 Cb 1.34 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 3npk h GLU 267 CO 0.70 0.44 -0.41 0.87 0.07 0.00 0.00 179.01 180.68 3npk h LYS 268 N 0.69 0.83 -0.52 1.06 1.79 -1.97 -2.08 116.57 116.38 3npk h LYS 268 Ca 0.32 -0.48 -0.04 0.00 -2.18 0.00 0.00 60.65 58.27 3npk h LYS 268 Cb 0.35 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 3npk h LYS 268 CO -0.11 1.11 0.18 1.25 -1.08 0.00 0.00 179.45 180.81 3npk h LEU 269 N 0.61 0.73 -0.62 2.94 5.85 -1.66 -2.95 115.31 120.21 3npk h LEU 269 Ca 0.04 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.61 3npk h LEU 269 Cb 1.01 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 3npk h LEU 269 CO 0.10 0.73 0.35 0.00 -0.34 0.00 0.00 178.44 179.28 3npk h ALA 270 N 1.04 0.82 0.00 1.25 0.00 -0.82 -1.08 119.26 120.46 3npk h ALA 270 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3npk h ALA 270 Cb 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3npk h ALA 270 CO -0.01 0.05 0.00 0.94 0.00 0.00 0.00 179.25 180.23 3npk n GLN 271 N -4.78 0.23 0.00 0.00 -0.06 -0.79 -1.07 117.38 110.91 3npk n GLN 271 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 3npk n GLN 271 Cb 0.13 -1.33 0.00 0.00 -4.06 0.00 0.00 30.24 24.99 3npk n GLN 271 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 3npk n ILE 273 N 0.78 0.00 -0.24 1.69 5.41 -0.41 -1.24 119.36 125.35 3npk n ILE 273 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3npk n ILE 273 Cb 0.10 0.00 0.12 0.00 -0.71 0.00 0.00 39.64 39.15 3npk n ILE 273 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3npk h GLN 274 N 0.00 0.62 -0.71 0.38 5.75 -1.35 0.90 115.11 120.71 3npk h GLN 274 Ca 0.00 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3npk h GLN 274 Cb 0.00 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 3npk h GLN 274 CO 0.00 0.41 0.36 -0.91 -2.65 0.00 0.00 178.83 176.05 3npk h ASN 275 N 0.64 0.91 0.24 -0.69 2.35 -1.44 0.16 115.58 117.75 3npk h ASN 275 Ca 0.33 -0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.82 3npk h ASN 275 Cb 0.28 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3npk h ASN 275 CO -0.23 0.77 -0.54 -0.07 -1.65 0.00 0.00 177.43 175.71 3npk h LEU 276 N 0.98 0.35 0.40 1.61 3.38 -1.61 -1.47 115.31 118.96 3npk h LEU 276 Ca 0.25 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3npk h LEU 276 Cb 0.08 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3npk h LEU 276 CO -0.04 0.82 -0.19 0.40 0.09 0.00 0.00 178.44 179.53 3npk h ILE 277 N 0.25 0.59 -0.69 1.22 2.04 -0.59 -1.64 117.51 118.68 3npk h ILE 277 Ca 0.01 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.53 3npk h ILE 277 Cb 1.02 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 3npk h ILE 277 CO 0.09 0.07 0.40 0.40 0.00 0.00 0.00 178.15 179.11 3npk h ILE 278 N -0.76 1.01 -0.60 -0.67 2.04 -0.97 0.25 117.51 117.80 3npk h ILE 278 Ca -0.05 -0.26 0.11 0.00 1.00 0.00 0.00 64.86 65.66 3npk h ILE 278 Cb 0.52 0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 36.70 3npk h ILE 278 CO 0.09 0.14 0.12 1.56 0.00 0.00 0.00 178.15 180.06 3npk h GLN 279 N 0.76 0.24 0.07 2.37 4.20 -1.27 -3.10 115.11 118.39 3npk h GLN 279 Ca 0.30 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 3npk h GLN 279 Cb 0.14 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3npk h GLN 279 CO -0.16 0.16 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.21 3npk h TYR 280 N 0.25 -0.08 0.00 2.96 3.20 0.35 -3.51 116.97 120.14 3npk h TYR 280 Ca 0.32 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3npk h TYR 280 Cb 0.47 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.77 3npk h TYR 280 CO -0.25 0.37 0.00 1.28 -1.64 0.00 0.00 178.16 177.91