#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsw s THR 2 N 0.00 4.02 -0.24 0.00 -4.23 -1.26 -4.70 115.64 109.22 1nsw s THR 2 Ca 0.00 -1.32 -0.07 0.00 -1.18 0.00 0.00 61.69 59.13 1nsw s THR 2 Cb 0.00 -3.33 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 1nsw s THR 2 CO 0.00 -0.24 0.05 -0.32 -0.54 0.00 0.00 174.62 173.56 1nsw s MET 3 N -3.96 3.63 -0.15 3.99 -2.45 0.17 -4.98 119.30 115.55 1nsw s MET 3 Ca 0.38 -0.50 -0.22 0.00 -1.25 0.00 0.00 55.69 54.11 1nsw s MET 3 Cb -0.07 -3.25 -0.03 0.00 1.25 0.00 0.00 34.83 32.73 1nsw s MET 3 CO 0.27 -0.14 0.66 0.99 1.05 0.00 0.00 175.02 177.84 1nsw s THR 4 N 1.45 5.03 0.22 10.11 2.01 -1.26 -0.22 115.64 132.98 1nsw s THR 4 Ca 0.05 1.29 0.09 0.00 0.31 0.00 0.00 61.69 63.43 1nsw s THR 4 Cb -0.15 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1nsw s THR 4 CO 0.02 0.16 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.31 1nsw s LEU 5 N 1.49 3.09 0.25 4.42 1.43 -0.29 -4.93 118.68 124.14 1nsw s LEU 5 Ca 0.32 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1nsw s LEU 5 Cb -0.16 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 1nsw s LEU 5 CO 0.13 0.06 0.07 0.42 0.23 0.00 0.00 176.35 177.26 1nsw s THR 6 N -1.97 0.66 0.33 5.49 -4.23 -1.26 -4.45 115.64 110.20 1nsw s THR 6 Ca 0.28 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.81 1nsw s THR 6 Cb -0.08 -2.56 0.28 0.00 1.34 0.00 0.00 72.50 71.48 1nsw s THR 6 CO 0.17 -0.09 1.96 0.44 -0.54 0.00 0.00 174.62 176.57 1nsw h ASP 7 N 2.41 0.80 0.25 3.99 3.32 -1.90 0.21 116.42 125.50 1nsw h ASP 7 Ca -0.38 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.57 1nsw h ASP 7 Cb 1.24 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1nsw h ASP 7 CO 0.62 0.54 -0.38 0.00 -1.72 0.00 0.00 179.24 178.30 1nsw h ALA 8 N 1.56 1.21 -0.02 3.45 0.00 -1.98 -3.31 119.26 120.16 1nsw h ALA 8 Ca 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nsw h ALA 8 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nsw h ALA 8 CO -0.10 0.54 0.00 0.27 0.00 0.00 0.00 179.25 179.97 1nsw n ASN 9 N -4.06 1.41 -0.00 0.00 0.23 -0.98 -4.80 115.26 107.06 1nsw n ASN 9 Ca -0.01 -1.27 -0.09 0.00 -0.53 0.00 0.00 54.58 52.67 1nsw n ASN 9 Cb 0.44 -0.01 -0.03 0.00 -2.08 0.00 0.00 39.78 38.11 1nsw n ASN 9 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1nsw h PHE 10 N 0.53 -0.57 -0.18 -2.53 3.57 -0.68 -2.43 116.94 114.65 1nsw h PHE 10 Ca 0.00 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1nsw h PHE 10 Cb 0.19 0.27 -0.07 0.00 2.79 0.00 0.00 35.95 39.14 1nsw h PHE 10 CO 0.01 -0.29 -0.28 1.96 -2.23 0.00 0.00 178.31 177.48 1nsw h GLN 11 N -0.27 -0.31 -0.79 1.11 4.20 -1.85 -2.33 115.11 114.88 1nsw h GLN 11 Ca 0.10 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1nsw h GLN 11 Cb 0.42 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 1nsw h GLN 11 CO -0.30 -0.21 0.42 1.96 -0.67 0.00 0.00 178.83 180.04 1nsw h GLN 12 N -0.32 1.10 0.00 1.46 4.20 -1.90 -2.98 115.11 116.67 1nsw h GLN 12 Ca 0.11 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1nsw h GLN 12 Cb 0.50 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1nsw h GLN 12 CO -0.37 0.82 -0.05 0.00 -0.67 0.00 0.00 178.83 178.57 1nsw h ALA 13 N 1.22 1.83 -0.88 3.87 0.00 -0.92 -3.04 119.26 121.34 1nsw h ALA 13 Ca 0.28 -0.04 -0.48 0.00 0.00 0.00 0.00 54.91 54.66 1nsw h ALA 13 Cb 0.05 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 17.56 1nsw h ALA 13 CO -0.04 0.06 0.52 0.44 0.00 0.00 0.00 179.25 180.23 1nsw n ILE 14 N -4.35 3.14 -0.67 0.00 -5.35 -0.94 -4.85 119.36 106.34 1nsw n ILE 14 Ca -0.03 -2.28 -0.05 0.00 -0.27 0.00 0.00 62.75 60.13 1nsw n ILE 14 Cb 0.13 -0.56 -0.05 0.00 -1.74 0.00 0.00 39.64 37.42 1nsw n ILE 14 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nsw n GLN 15 N -1.10 1.34 0.00 6.28 6.02 -1.15 -2.57 117.38 126.20 1nsw n GLN 15 Ca 0.55 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1nsw n GLN 15 Cb 1.40 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 31.33 1nsw n GLN 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nsw n GLY 16 N 1.73 1.03 0.00 1.08 0.00 -1.26 -4.30 105.19 103.46 1nsw n GLY 16 Ca 0.14 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1nsw n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nsw n ASP 17 N 0.37 0.00 0.00 1.61 2.03 -1.26 -4.16 116.55 115.14 1nsw n ASP 17 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1nsw n ASP 17 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1nsw n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nsw n GLY 18 N 0.00 0.86 3.64 0.27 0.00 -1.26 -5.01 105.19 103.69 1nsw n GLY 18 Ca 0.00 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1nsw n GLY 18 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nsw n PRO 19 N 0.55 1.58 -4.31 1.61 -0.02 -1.26 -4.88 135.00 128.27 1nsw n PRO 19 Ca 0.00 0.56 -0.27 0.00 -2.02 0.00 0.00 63.50 61.77 1nsw n PRO 19 Cb 0.00 -2.13 -0.17 0.00 -0.02 0.00 0.00 33.50 31.18 1nsw n PRO 19 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nsw s VAL 20 N -1.21 1.30 -0.34 -1.45 1.01 -0.74 -1.75 120.40 117.22 1nsw s VAL 20 Ca 0.61 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 1nsw s VAL 20 Cb -0.56 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 1nsw s VAL 20 CO 0.58 0.40 0.22 -0.22 0.00 0.00 0.00 175.10 176.09 1nsw s LEU 21 N 1.14 4.46 -0.26 3.92 2.96 0.71 -0.49 118.68 131.12 1nsw s LEU 21 Ca -0.05 -0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 53.29 1nsw s LEU 21 Cb -0.14 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 1nsw s LEU 21 CO -0.03 -0.24 0.16 -0.69 -1.32 0.00 0.00 176.35 174.24 1nsw s VAL 22 N 1.70 5.16 -0.34 1.68 1.01 0.50 -0.10 120.40 130.00 1nsw s VAL 22 Ca 0.06 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 1nsw s VAL 22 Cb -0.17 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1nsw s VAL 22 CO 0.10 0.30 0.32 -0.62 0.00 0.00 0.00 175.10 175.19 1nsw s ASP 23 N 1.49 6.14 -0.43 3.32 2.15 0.77 -1.33 116.67 128.78 1nsw s ASP 23 Ca 0.07 -0.30 -0.21 0.00 0.43 0.00 0.00 52.55 52.54 1nsw s ASP 23 Cb -0.15 -2.18 0.02 0.00 -0.30 0.00 0.00 42.92 40.32 1nsw s ASP 23 CO 0.08 -0.30 0.65 -0.36 -0.17 0.00 0.00 175.17 175.07 1nsw s PHE 24 N 1.91 3.07 0.33 -5.34 0.08 -0.08 -0.62 117.98 117.32 1nsw s PHE 24 Ca 0.10 0.01 0.05 0.00 0.12 0.00 0.00 56.93 57.21 1nsw s PHE 24 Cb -0.17 -3.35 -0.03 0.00 -0.57 0.00 0.00 43.02 38.90 1nsw s PHE 24 CO 0.11 -0.85 0.22 1.67 -0.10 0.00 0.00 175.22 176.27 1nsw s TRP 25 N 2.85 1.68 -0.11 0.36 1.48 -0.87 -2.49 118.94 121.83 1nsw s TRP 25 Ca 0.23 -1.52 -0.19 0.00 -1.06 0.00 0.00 56.10 53.57 1nsw s TRP 25 Cb -0.14 -0.81 0.04 0.00 -1.16 0.00 0.00 33.47 31.41 1nsw s TRP 25 CO 0.19 -0.69 0.46 0.00 -4.06 0.00 0.00 176.95 172.85 1nsw s ALA 26 N -3.50 -1.16 0.41 2.67 0.00 -1.26 -0.89 121.76 118.03 1nsw s ALA 26 Ca 0.36 1.04 0.10 0.00 0.00 0.00 0.00 51.96 53.46 1nsw s ALA 26 Cb 0.03 -0.39 0.88 0.00 0.00 0.00 0.00 23.12 23.64 1nsw s ALA 26 CO 0.22 -0.26 1.98 0.00 0.00 0.00 0.00 175.76 177.70 1nsw h ALA 27 N 4.52 1.63 0.00 0.00 0.00 -2.00 -2.12 119.26 121.28 1nsw h ALA 27 Ca -0.28 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1nsw h ALA 27 Cb 1.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1nsw h ALA 27 CO 0.29 0.28 0.00 -2.67 0.00 0.00 0.00 179.25 177.15 1nsw n TRP 28 N -4.36 0.44 -2.68 0.00 4.27 -1.26 -4.77 117.44 109.09 1nsw n TRP 28 Ca -0.00 0.15 -0.43 0.00 -3.89 0.00 0.00 57.50 53.32 1nsw n TRP 28 Cb 0.20 -0.74 -0.02 0.00 -1.36 0.00 0.00 31.31 29.39 1nsw n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1nsw h GLY 30 N 9.90 -0.61 1.16 0.00 0.00 -1.87 -2.29 103.07 109.36 1nsw h GLY 30 Ca -0.21 0.22 0.10 0.00 0.00 0.00 0.00 47.33 47.45 1nsw h GLY 30 CO 1.01 -0.22 0.33 -2.55 0.00 0.00 0.00 176.54 175.11 1nsw h PRO 31 N -0.58 0.20 -0.56 4.80 0.11 -1.93 -0.06 132.00 133.99 1nsw h PRO 31 Ca -0.06 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 1nsw h PRO 31 Cb 0.44 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1nsw h PRO 31 CO 0.10 0.14 0.07 0.00 -0.21 0.00 0.00 178.00 178.09 1nsw h ARG 33 N 0.83 0.57 -0.50 0.00 3.08 -0.50 -0.80 114.38 117.08 1nsw h ARG 33 Ca 0.17 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1nsw h ARG 33 Cb 0.45 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1nsw h ARG 33 CO 0.02 0.65 0.05 0.52 -1.07 0.00 0.00 179.97 180.14 1nsw h MET 34 N 0.53 0.84 0.00 0.04 2.86 -1.02 -3.14 114.93 115.05 1nsw h MET 34 Ca 0.10 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1nsw h MET 34 Cb 0.45 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1nsw h MET 34 CO 0.02 0.86 0.00 0.52 1.06 0.00 0.00 176.91 179.37 1nsw h MET 35 N 0.71 0.00 -0.15 1.72 2.86 -0.59 -3.36 114.93 116.12 1nsw h MET 35 Ca 0.15 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.84 1nsw h MET 35 Cb 0.44 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.04 1nsw h MET 35 CO 0.02 0.00 -0.27 0.00 1.06 0.00 0.00 176.91 177.71 1nsw h ALA 36 N 2.04 -0.27 -0.20 6.32 0.00 -1.11 0.10 119.26 126.14 1nsw h ALA 36 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1nsw h ALA 36 Cb 0.73 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1nsw h ALA 36 CO 0.00 -0.74 -0.35 -1.35 0.00 0.00 0.00 179.25 176.81 1nsw h PRO 37 N -0.34 0.42 -0.03 0.00 0.11 -1.77 -2.09 132.00 128.30 1nsw h PRO 37 Ca 0.10 -0.19 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1nsw h PRO 37 Cb 0.50 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 1nsw h PRO 37 CO -0.34 0.72 0.02 0.28 -0.21 0.00 0.00 178.00 178.47 1nsw h VAL 38 N 0.36 1.04 -0.17 3.15 2.07 -1.56 -1.11 116.25 120.03 1nsw h VAL 38 Ca 0.04 -0.11 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1nsw h VAL 38 Cb 0.79 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1nsw h VAL 38 CO 0.06 0.03 -0.23 -0.07 0.02 0.00 0.00 177.57 177.39 1nsw h LEU 39 N 0.01 0.29 -0.53 2.57 3.38 -0.74 0.06 115.31 120.34 1nsw h LEU 39 Ca 0.01 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1nsw h LEU 39 Cb 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1nsw h LEU 39 CO -0.00 0.53 -0.40 -0.33 0.09 0.00 0.00 178.44 178.33 1nsw h GLU 40 N 0.27 0.76 -0.35 1.13 5.08 -1.15 -0.31 114.58 120.01 1nsw h GLU 40 Ca 0.04 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 57.93 1nsw h GLU 40 Cb 0.55 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1nsw h GLU 40 CO 0.04 1.02 -0.08 1.49 -1.00 0.00 0.00 179.01 180.48 1nsw h GLU 41 N 0.62 0.67 -0.70 2.33 4.81 -0.87 -2.03 114.58 119.40 1nsw h GLU 41 Ca 0.05 -0.25 0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1nsw h GLU 41 Cb 0.95 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 1nsw h GLU 41 CO 0.09 0.83 0.42 0.35 -0.73 0.00 0.00 179.01 179.96 1nsw h PHE 42 N 0.46 0.77 -0.80 0.92 3.57 -0.87 -0.97 116.94 120.03 1nsw h PHE 42 Ca 0.09 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1nsw h PHE 42 Cb 0.58 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 1nsw h PHE 42 CO 0.05 0.40 0.39 0.00 -2.23 0.00 0.00 178.31 176.92 1nsw h ALA 43 N 1.34 1.03 -0.08 2.41 0.00 -0.88 -1.20 119.26 121.87 1nsw h ALA 43 Ca 0.30 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1nsw h ALA 43 Cb 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1nsw h ALA 43 CO -0.15 0.59 -0.42 0.93 0.00 0.00 0.00 179.25 180.20 1nsw h GLU 44 N 1.13 0.19 0.00 0.00 5.08 -0.82 -1.67 114.58 118.49 1nsw h GLU 44 Ca 0.28 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1nsw h GLU 44 Cb 0.11 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1nsw h GLU 44 CO -0.04 0.58 -0.81 0.00 -1.00 0.00 0.00 179.01 177.75 1nsw h ALA 45 N 1.41 0.68 0.00 3.43 0.00 -0.70 -3.37 119.26 120.70 1nsw h ALA 45 Ca 0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1nsw h ALA 45 Cb 0.82 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1nsw h ALA 45 CO 0.06 0.56 -0.30 0.72 0.00 0.00 0.00 179.25 180.29 1nsw n HIS 46 N -3.02 0.00 0.07 0.00 8.25 -0.50 -4.85 115.22 115.17 1nsw n HIS 46 Ca -0.02 -1.00 0.21 0.00 -0.26 0.00 0.00 57.72 56.65 1nsw n HIS 46 Cb 0.72 -0.17 0.68 0.00 1.12 0.00 0.00 29.99 32.34 1nsw n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nsw h ALA 47 N 0.39 2.17 -0.60 -1.41 0.00 -1.46 0.63 119.26 118.99 1nsw h ALA 47 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nsw h ALA 47 Cb 1.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1nsw h ALA 47 CO 0.01 -0.83 0.00 -0.25 0.00 0.00 0.00 179.25 178.18 1nsw n ASP 48 N -3.48 4.12 -0.03 0.00 8.00 -1.26 -4.19 116.55 119.70 1nsw n ASP 48 Ca 0.09 -2.26 -0.05 0.00 0.71 0.00 0.00 54.79 53.29 1nsw n ASP 48 Cb 0.77 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 1nsw n ASP 48 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1nsw n LYS 49 N 1.08 0.53 -3.66 -1.24 4.76 0.11 -5.08 118.16 114.66 1nsw n LYS 49 Ca 0.23 0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.57 1nsw n LYS 49 Cb 0.72 -1.14 -0.06 0.00 -1.84 0.00 0.00 35.03 32.71 1nsw n LYS 49 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1nsw s VAL 50 N -2.14 0.05 -0.15 -0.18 0.11 -0.60 -4.41 120.40 113.08 1nsw s VAL 50 Ca -0.09 -0.44 -0.04 0.00 -2.93 0.00 0.00 61.98 58.48 1nsw s VAL 50 Cb 0.02 -0.94 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 1nsw s VAL 50 CO 0.17 -0.24 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.78 1nsw s THR 51 N -2.40 4.03 -0.23 5.04 2.01 -0.72 -4.17 115.64 119.20 1nsw s THR 51 Ca -0.06 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.50 1nsw s THR 51 Cb -0.01 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 1nsw s THR 51 CO -0.02 0.50 0.27 -0.69 -0.69 0.00 0.00 174.62 173.99 1nsw s VAL 52 N 0.27 5.28 0.17 3.82 1.01 -1.26 -0.20 120.40 129.49 1nsw s VAL 52 Ca -0.02 0.41 0.10 0.00 0.00 0.00 0.00 61.98 62.47 1nsw s VAL 52 Cb -0.14 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1nsw s VAL 52 CO 0.03 0.29 -0.16 0.00 0.00 0.00 0.00 175.10 175.25 1nsw s ALA 53 N 1.28 2.75 -0.08 5.51 0.00 0.86 -0.65 121.76 131.42 1nsw s ALA 53 Ca 0.12 -1.52 0.04 0.00 0.00 0.00 0.00 51.96 50.60 1nsw s ALA 53 Cb -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1nsw s ALA 53 CO 0.07 0.47 -0.20 0.15 0.00 0.00 0.00 175.76 176.25 1nsw s LYS 54 N -2.66 2.52 -0.25 0.00 1.02 0.70 -0.17 119.74 120.90 1nsw s LYS 54 Ca 0.22 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.52 1nsw s LYS 54 Cb -0.09 -1.96 0.06 0.00 -0.52 0.00 0.00 37.83 35.33 1nsw s LYS 54 CO 0.12 0.14 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.46 1nsw s LEU 55 N 0.41 3.03 -0.45 3.17 1.98 0.21 -1.14 118.68 125.89 1nsw s LEU 55 Ca -0.16 -1.33 -0.29 0.00 -2.89 0.00 0.00 54.13 49.46 1nsw s LEU 55 Cb -0.17 -1.34 0.02 0.00 0.66 0.00 0.00 46.19 45.37 1nsw s LEU 55 CO 0.07 -0.23 1.19 0.21 -1.89 0.00 0.00 176.35 175.70 1nsw s ASN 56 N 1.26 6.59 0.55 3.68 3.84 -1.26 -2.06 114.94 127.54 1nsw s ASN 56 Ca -0.06 0.60 0.34 0.00 0.21 0.00 0.00 52.86 53.95 1nsw s ASN 56 Cb -0.19 -2.55 1.42 0.00 -0.55 0.00 0.00 41.25 39.38 1nsw s ASN 56 CO -0.06 -1.26 2.00 -0.37 -2.79 0.00 0.00 177.10 174.61 1nsw h VAL 57 N 6.24 0.00 -0.22 -5.21 -1.51 -1.29 -0.87 116.25 113.40 1nsw h VAL 57 Ca -0.24 -0.47 -0.05 0.00 -1.23 0.00 0.00 66.70 64.71 1nsw h VAL 57 Cb 1.07 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 31.68 1nsw h VAL 57 CO 1.11 0.00 -0.09 0.44 -1.23 0.00 0.00 177.57 177.80 1nsw h ASP 58 N 0.00 0.33 -0.00 4.19 3.32 -1.91 -3.18 116.42 119.17 1nsw h ASP 58 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1nsw h ASP 58 Cb 0.48 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1nsw h ASP 58 CO 0.00 0.46 -0.50 -0.62 -1.72 0.00 0.00 179.24 176.86 1nsw n GLU 59 N -4.27 2.43 -3.39 3.56 1.02 -0.80 -4.80 120.64 114.39 1nsw n GLU 59 Ca 0.00 -0.25 -0.26 0.00 -0.02 0.00 0.00 57.16 56.63 1nsw n GLU 59 Cb 0.27 -1.14 -0.09 0.00 -0.02 0.00 0.00 31.44 30.46 1nsw n GLU 59 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nsw n ASN 60 N -0.92 0.91 0.20 1.62 3.02 -0.40 -4.87 115.26 114.82 1nsw n ASN 60 Ca 0.04 -2.77 0.07 0.00 -0.03 0.00 0.00 54.58 51.88 1nsw n ASN 60 Cb 0.23 -0.63 0.36 0.00 -0.61 0.00 0.00 39.78 39.13 1nsw n ASN 60 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1nsw h PRO 61 N 4.78 0.00 0.09 3.52 0.13 -1.86 -3.13 132.00 135.53 1nsw h PRO 61 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1nsw h PRO 61 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1nsw h PRO 61 CO 0.52 0.33 -0.04 0.93 -0.23 0.00 0.00 178.00 179.51 1nsw h GLU 62 N 0.00 -0.12 -0.34 0.86 5.08 -1.94 0.93 114.58 119.05 1nsw h GLU 62 Ca -0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1nsw h GLU 62 Cb 0.87 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1nsw h GLU 62 CO 0.04 0.11 -0.01 1.15 -1.00 0.00 0.00 179.01 179.30 1nsw h THR 63 N -0.33 1.26 -0.35 1.13 2.02 -1.93 -0.82 112.91 113.89 1nsw h THR 63 Ca -0.01 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.20 1nsw h THR 63 Cb 0.28 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1nsw h THR 63 CO 0.02 0.33 0.14 0.74 0.37 0.00 0.00 175.52 177.12 1nsw h THR 64 N 0.42 0.93 -0.53 3.16 2.02 -1.49 -2.37 112.91 115.04 1nsw h THR 64 Ca 0.10 -0.11 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 1nsw h THR 64 Cb 0.47 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1nsw h THR 64 CO 0.02 0.06 -0.10 -1.28 0.37 0.00 0.00 175.52 174.58 1nsw h SER 65 N 0.31 0.99 -0.78 4.18 0.87 -0.73 -2.64 113.55 115.75 1nsw h SER 65 Ca 0.16 -0.32 0.10 0.00 -1.23 0.00 0.00 61.79 60.49 1nsw h SER 65 Cb 0.11 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 61.75 1nsw h SER 65 CO -0.14 1.10 0.51 -0.61 -0.53 0.00 0.00 176.83 177.16 1nsw h GLN 66 N 0.89 0.69 -0.48 2.24 4.15 -0.76 -0.58 115.11 121.25 1nsw h GLN 66 Ca 0.14 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1nsw h GLN 66 Cb 0.66 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1nsw h GLN 66 CO 0.05 0.46 0.00 1.19 -1.93 0.00 0.00 178.83 178.59 1nsw n PHE 67 N -4.50 0.66 -3.94 3.99 3.01 -0.93 -4.94 117.46 110.81 1nsw n PHE 67 Ca 0.13 -0.32 -0.29 0.00 1.01 0.00 0.00 57.45 57.98 1nsw n PHE 67 Cb 0.33 -0.01 0.01 0.00 -0.01 0.00 0.00 39.48 39.79 1nsw n PHE 67 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nsw n GLY 68 N 1.22 -0.41 3.75 1.37 0.00 -0.23 -4.88 105.19 106.01 1nsw n GLY 68 Ca 0.16 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 1nsw n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nsw s ILE 69 N -3.47 2.56 -0.06 -0.61 -1.09 -1.01 -4.92 121.20 112.59 1nsw s ILE 69 Ca 0.46 0.48 0.03 0.00 -2.23 0.00 0.00 60.65 59.40 1nsw s ILE 69 Cb -0.24 -3.31 -0.06 0.00 -1.58 0.00 0.00 42.46 37.27 1nsw s ILE 69 CO 0.85 0.08 -0.01 0.23 -1.23 0.00 0.00 174.94 174.86 1nsw n MET 70 N 2.05 1.92 -3.98 2.79 2.81 -1.26 -4.93 117.12 116.52 1nsw n MET 70 Ca 0.06 0.02 -0.09 0.00 -1.81 0.00 0.00 57.70 55.88 1nsw n MET 70 Cb 0.40 -1.15 -0.10 0.00 -0.71 0.00 0.00 33.22 31.66 1nsw n MET 70 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1nsw s SER 71 N -4.11 0.27 0.09 7.83 1.04 -1.26 -5.15 113.70 112.40 1nsw s SER 71 Ca -0.06 -0.64 0.08 0.00 0.48 0.00 0.00 55.95 55.82 1nsw s SER 71 Cb 0.02 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 1nsw s SER 71 CO 0.21 -0.47 -0.21 0.27 0.98 0.00 0.00 173.24 174.02 1nsw s ILE 72 N -2.59 1.74 0.59 -1.02 -4.36 -1.26 -4.02 121.20 110.28 1nsw s ILE 72 Ca -0.05 -1.46 -0.14 0.00 -0.26 0.00 0.00 60.65 58.74 1nsw s ILE 72 Cb -0.01 -1.56 -0.04 0.00 1.25 0.00 0.00 42.46 42.09 1nsw s ILE 72 CO -0.05 0.03 1.02 -2.16 0.24 0.00 0.00 174.94 174.02 1nsw s PRO 73 N -1.71 3.57 -0.01 0.37 0.04 -1.26 -4.88 135.00 131.12 1nsw s PRO 73 Ca 0.07 0.92 0.02 0.00 0.04 0.00 0.00 61.00 62.06 1nsw s PRO 73 Cb -0.10 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.36 1nsw s PRO 73 CO 0.04 -0.59 -0.07 0.99 0.04 0.00 0.00 177.00 177.40 1nsw s THR 74 N -2.86 0.58 -0.10 1.26 2.01 -1.04 -2.38 115.64 113.12 1nsw s THR 74 Ca 0.58 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.29 1nsw s THR 74 Cb -0.12 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 1nsw s THR 74 CO 0.44 0.17 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.64 1nsw s LEU 75 N -0.10 2.70 -0.07 4.42 1.43 -0.64 -0.90 118.68 125.52 1nsw s LEU 75 Ca 0.02 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1nsw s LEU 75 Cb -0.04 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.61 1nsw s LEU 75 CO -0.00 0.22 -0.11 -0.63 0.23 0.00 0.00 176.35 176.05 1nsw s ILE 76 N 0.02 1.08 -0.14 -0.59 1.01 -0.44 -0.08 121.20 122.07 1nsw s ILE 76 Ca -0.04 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 60.02 1nsw s ILE 76 Cb -0.14 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 1nsw s ILE 76 CO 0.04 0.35 0.33 -0.22 0.00 0.00 0.00 174.94 175.43 1nsw s LEU 77 N 0.75 4.28 -0.06 2.97 2.96 0.52 -0.37 118.68 129.72 1nsw s LEU 77 Ca -0.13 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 1nsw s LEU 77 Cb -0.15 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.08 1nsw s LEU 77 CO 0.03 0.12 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.67 1nsw s PHE 78 N 0.28 2.70 -0.07 5.38 0.08 0.36 -0.28 117.98 126.43 1nsw s PHE 78 Ca 0.19 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.95 1nsw s PHE 78 Cb -0.14 -1.65 0.03 0.00 -0.57 0.00 0.00 43.02 40.69 1nsw s PHE 78 CO 0.06 0.11 0.16 0.15 -0.10 0.00 0.00 175.22 175.60 1nsw s LYS 79 N -0.56 0.12 -1.44 0.44 1.02 0.28 -1.80 119.74 117.80 1nsw s LYS 79 Ca 0.08 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.42 1nsw s LYS 79 Cb -0.11 -0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.08 1nsw s LYS 79 CO 0.01 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 1nsw n GLY 80 N 3.97 0.10 2.32 -3.33 0.00 -1.26 -1.48 105.19 105.51 1nsw n GLY 80 Ca -0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.54 1nsw n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nsw n GLY 81 N -1.01 0.51 3.14 -0.02 0.00 -1.06 -4.32 105.19 102.43 1nsw n GLY 81 Ca -0.18 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 1nsw n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nsw s ARG 82 N -1.31 1.14 -0.14 1.61 3.52 -0.55 -4.83 118.95 118.39 1nsw s ARG 82 Ca 0.00 -0.62 -0.29 0.00 -0.13 0.00 0.00 55.73 54.68 1nsw s ARG 82 Cb 0.00 -1.13 -0.02 0.00 -1.56 0.00 0.00 34.95 32.25 1nsw s ARG 82 CO 0.00 0.30 1.24 -1.25 -0.81 0.00 0.00 175.30 174.78 1nsw s PRO 83 N -0.63 4.26 -0.00 5.12 0.04 -1.26 -0.55 135.00 141.97 1nsw s PRO 83 Ca 0.05 1.66 0.07 0.00 0.04 0.00 0.00 61.00 62.82 1nsw s PRO 83 Cb -0.06 -3.71 -0.09 0.00 0.04 0.00 0.00 34.50 30.67 1nsw s PRO 83 CO 0.00 -0.65 0.26 1.33 0.04 0.00 0.00 177.00 177.99 1nsw n VAL 84 N 5.20 0.00 -3.72 -0.36 0.24 0.61 -4.95 118.33 115.35 1nsw n VAL 84 Ca 0.13 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 62.02 1nsw n VAL 84 Cb 0.45 0.76 -0.09 0.00 -1.47 0.00 0.00 33.84 33.49 1nsw n VAL 84 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1nsw s LYS 85 N -2.00 0.58 -0.05 7.34 2.20 -1.11 -4.99 119.74 121.71 1nsw s LYS 85 Ca 0.01 0.43 0.05 0.00 -0.36 0.00 0.00 55.97 56.10 1nsw s LYS 85 Cb 0.05 0.28 -0.00 0.00 -1.51 0.00 0.00 37.83 36.65 1nsw s LYS 85 CO 0.31 -0.10 -0.20 1.14 -0.36 0.00 0.00 175.35 176.13 1nsw s GLN 86 N -0.16 2.17 0.11 4.03 -2.07 -1.26 -0.36 119.66 122.11 1nsw s GLN 86 Ca -0.03 -0.73 0.06 0.00 -1.82 0.00 0.00 55.36 52.84 1nsw s GLN 86 Cb -0.03 -1.83 -0.04 0.00 -1.09 0.00 0.00 33.01 30.02 1nsw s GLN 86 CO 0.02 0.27 -0.15 -0.51 -1.32 0.00 0.00 175.29 173.60 1nsw s LEU 87 N 0.03 2.36 0.27 2.60 1.02 0.88 -5.01 118.68 120.83 1nsw s LEU 87 Ca -0.06 -0.75 -0.30 0.00 0.02 0.00 0.00 54.13 53.04 1nsw s LEU 87 Cb -0.13 -0.59 -0.11 0.00 0.02 0.00 0.00 46.19 45.38 1nsw s LEU 87 CO 0.03 -0.10 1.57 -0.63 0.02 0.00 0.00 176.35 177.24 1nsw s ILE 88 N -1.82 2.23 0.04 -0.59 -1.09 -1.26 -1.63 121.20 117.08 1nsw s ILE 88 Ca 0.06 0.19 0.15 0.00 -2.23 0.00 0.00 60.65 58.82 1nsw s ILE 88 Cb -0.07 -3.12 0.04 0.00 -1.58 0.00 0.00 42.46 37.74 1nsw s ILE 88 CO 0.03 0.03 1.54 1.23 -1.23 0.00 0.00 174.94 176.54 1nsw h GLY 89 N 5.20 0.00 -7.36 6.18 0.00 -1.78 -3.41 103.07 101.89 1nsw h GLY 89 Ca -0.46 0.00 -0.77 0.00 0.00 0.00 0.00 47.33 46.10 1nsw h GLY 89 CO 0.81 0.00 -0.08 -0.47 0.00 0.00 0.00 176.54 176.80 1nsw s TYR 90 N -3.21 3.43 -0.06 5.60 5.04 -1.26 -4.88 117.35 122.01 1nsw s TYR 90 Ca 0.02 -1.54 -0.11 0.00 -2.44 0.00 0.00 57.07 53.00 1nsw s TYR 90 Cb 0.10 -3.82 0.02 0.00 0.35 0.00 0.00 41.96 38.61 1nsw s TYR 90 CO 0.73 -1.02 0.27 -1.14 -1.34 0.00 0.00 175.55 173.05 1nsw s GLN 91 N 1.12 0.45 0.73 4.97 0.74 -1.26 -5.15 119.66 121.27 1nsw s GLN 91 Ca 0.09 0.09 -0.14 0.00 0.05 0.00 0.00 55.36 55.45 1nsw s GLN 91 Cb -0.22 0.21 0.04 0.00 1.10 0.00 0.00 33.01 34.13 1nsw s GLN 91 CO -0.01 -0.09 1.13 -1.25 -0.55 0.00 0.00 175.29 174.51 1nsw s PRO 92 N -0.54 2.35 0.26 1.67 0.04 -1.26 -4.76 135.00 132.76 1nsw s PRO 92 Ca -0.06 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 1nsw s PRO 92 Cb -0.04 -1.89 0.54 0.00 0.04 0.00 0.00 34.50 33.15 1nsw s PRO 92 CO 0.02 -1.61 1.75 -0.22 0.04 0.00 0.00 177.00 176.98 1nsw h LYS 93 N -0.49 0.56 -0.30 4.56 3.64 -1.99 -1.37 116.57 121.19 1nsw h LYS 93 Ca -0.46 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.84 1nsw h LYS 93 Cb 1.26 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1nsw h LYS 93 CO 0.51 0.37 -0.01 0.93 -2.27 0.00 0.00 179.45 178.98 1nsw h GLU 94 N 0.58 0.46 -0.02 1.90 3.07 -1.99 -0.29 114.58 118.28 1nsw h GLU 94 Ca 0.47 -0.09 -0.23 0.00 -0.50 0.00 0.00 59.36 59.01 1nsw h GLU 94 Cb 0.69 -0.07 0.02 0.00 -0.84 0.00 0.00 28.75 28.55 1nsw h GLU 94 CO -0.38 0.50 -0.87 1.96 -1.40 0.00 0.00 179.01 178.81 1nsw h GLN 95 N 0.44 0.63 -0.67 2.33 4.20 -1.66 -2.75 115.11 117.63 1nsw h GLN 95 Ca 0.10 -0.65 0.03 0.00 0.06 0.00 0.00 58.65 58.19 1nsw h GLN 95 Cb 0.31 0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 1nsw h GLN 95 CO 0.01 1.25 0.41 1.25 -0.67 0.00 0.00 178.83 181.08 1nsw h LEU 96 N 0.27 0.66 -1.01 1.46 5.85 -0.93 -0.82 115.31 120.79 1nsw h LEU 96 Ca -0.10 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1nsw h LEU 96 Cb 1.54 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 1nsw h LEU 96 CO 0.17 0.45 0.33 -0.33 -0.34 0.00 0.00 178.44 178.73 1nsw h GLU 97 N 0.80 1.04 -0.46 1.25 5.08 -1.07 -0.24 114.58 120.97 1nsw h GLU 97 Ca 0.28 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1nsw h GLU 97 Cb 0.05 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1nsw h GLU 97 CO -0.12 0.81 -0.04 0.00 -1.00 0.00 0.00 179.01 178.66 1nsw h ALA 98 N 1.34 0.62 -0.23 3.43 0.00 -1.08 -1.53 119.26 121.81 1nsw h ALA 98 Ca 0.25 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1nsw h ALA 98 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1nsw h ALA 98 CO -0.03 0.46 -0.04 0.37 0.00 0.00 0.00 179.25 180.01 1nsw h GLN 99 N 0.68 0.34 -0.50 0.00 5.75 -0.49 -2.22 115.11 118.68 1nsw h GLN 99 Ca 0.13 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.50 1nsw h GLN 99 Cb 0.56 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.02 1nsw h GLN 99 CO 0.03 0.41 0.06 1.28 -2.65 0.00 0.00 178.83 177.96 1nsw n LEU 100 N -4.31 5.16 -0.32 -2.39 4.77 -0.16 -4.71 117.00 115.04 1nsw n LEU 100 Ca 0.00 -3.08 0.15 0.00 -0.03 0.00 0.00 56.01 53.06 1nsw n LEU 100 Cb 0.23 -0.65 0.34 0.00 -2.33 0.00 0.00 43.42 41.01 1nsw n LEU 100 CO 0.38 0.72 1.09 0.00 -1.33 0.00 0.00 177.39 178.24 1nsw h ALA 101 N 2.83 1.58 0.20 -1.18 0.00 -0.63 -0.90 119.26 121.16 1nsw h ALA 101 Ca 0.07 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1nsw h ALA 101 Cb 1.88 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1nsw h ALA 101 CO 0.46 -0.33 -0.10 0.22 0.00 0.00 0.00 179.25 179.50 1nsw h ASP 102 N 0.46 -0.23 0.60 0.00 3.58 -1.85 -1.20 116.42 117.78 1nsw h ASP 102 Ca 0.60 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.90 1nsw h ASP 102 Cb 1.15 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 1nsw h ASP 102 CO -0.52 -0.01 -0.10 0.58 -2.88 0.00 0.00 179.24 176.32 1nsw h VAL 103 N -0.45 0.35 0.00 2.25 2.07 -1.77 -2.22 116.25 116.49 1nsw h VAL 103 Ca -0.03 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1nsw h VAL 103 Cb 0.34 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1nsw h VAL 103 CO 0.05 0.10 -0.44 0.18 0.02 0.00 0.00 177.57 177.47 1nsw n LEU 104 N -3.38 0.46 -0.25 2.57 4.77 -0.40 -4.81 117.00 115.95 1nsw n LEU 104 Ca -0.01 0.13 0.15 0.00 -0.03 0.00 0.00 56.01 56.25 1nsw n LEU 104 Cb 0.28 -0.28 0.72 0.00 -2.33 0.00 0.00 43.42 41.81 1nsw n LEU 104 CO 0.29 0.07 0.98 1.67 -1.33 0.00 0.00 177.39 179.07